| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.6 | Very low | 79.4 | Confident | 212 Ų | 212 | 110.9 Ų | 110.9 | 100% | 1.044 | 54% | 0.539 | S | S | * | . | 0 | -39.8 | 0 | -86.8 | -167.4 | 179.4 | 0 | 0 | 112.6 | D3 K4 | M1-D3 PolarHBondContact O-N 3.05Å; M1-D3 VanDerWaalsContact O-N 3.12Å; M1-K4 PolarHBondContact O-N 3.21Å | |||
| 2 | A | 55.6 | Low | 80.8 | Confident | 78 Ų | 78 | 111.5 Ų | 111.5 | 65% | 0.645 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.4 | -42.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | K4 R5 P6 | A2-K4 VanDerWaalsContact C-N 3.27Å; A2-K4 PolarHBondContact O-N 2.64Å; A2-R5 PolarHBondContact O-N 3.35Å; A2-P6 WeakPolarHBondContact O-CD 3.24Å |
| 3 | D | 59.7 | Low | 82 | Confident | 130 Ų | 130 | 104.5 Ų | 104.5 | 70% | 0.695 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -17.2 | -171.3 | -39.1 | -80.9 | 0 | 0 | 0 | 114.8 | M1 | M1-D3 PolarHBondContact O-N 3.05Å; M1-D3 VanDerWaalsContact O-N 3.12Å |
| 4 | K | 70 | Confident | 83.1 | Confident | 150 Ų | 150 | 97.6 Ų | 97.6 | 65% | 0.652 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -80.5 | -41.7 | 179.4 | -72.7 | -164.9 | 172.7 | -171.1 | 0 | 112.9 | M1 A2 N7 E8 | M1-K4 PolarHBondContact O-N 3.21Å; A2-K4 VanDerWaalsContact C-N 3.27Å; A2-K4 PolarHBondContact O-N 2.64Å; K4-N7 PolarHBondContact O-N 3.17Å; K4-E8 PolarHBondContact O-N 2.93Å; K4-E8 VanDerWaalsContact O-N 3.09Å |
| 5 | R | 83.8 | Confident | 83.9 | Confident | 166 Ų | 166 | 96.3 Ų | 96.3 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -54.2 | -42.9 | -176.3 | -74.5 | -174.6 | 178.9 | 178.3 | 0.3 | 114.2 | A2 N7 E8 W9 | A2-R5 PolarHBondContact O-N 3.35Å; R5-N7 VanDerWaalsContact C-N 3.3Å; R5-N7 PolarHBondContact O-N 2.93Å; R5-E8 WeakPolarHBondContact CA-OE2 3.36Å; R5-E8 WeakPolarHBondContact O-CB 3.23Å; R5-E8 PolarHBondContact O-N 3.5Å; R5-W9 HydrophobicContact CB-CZ2 4.47Å; R5-W9 PolarHBondContact O-N 3.03Å |
| 6 | P | 86.1 | Confident | 84.6 | Confident | 52 Ų | 52 | 99.2 Ų | 99.2 | 34% | 0.338 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.8 | -37.8 | 176.5 | -26.3 | 35.6 | 0 | 0 | 0 | 113.3 | A2 W9 V10 | A2-P6 WeakPolarHBondContact O-CD 3.24Å; P6-W9 PolarHBondContact O-N 3.02Å; P6-V10 WeakPolarHBondContact O-CG2 3.48Å; P6-V10 PolarHBondContact O-N 3.37Å |
| 7 | N | 90.4 | Very high | 85.3 | Confident | 66 Ų | 66 | 93.4 Ų | 93.4 | 35% | 0.353 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.6 | -38.6 | 177.9 | -64.4 | -10.2 | 0 | 0 | 0 | 111.1 | K4 R5 W9 V10 Q11 K50 L53 | K4-N7 PolarHBondContact O-N 3.17Å; R5-N7 VanDerWaalsContact C-N 3.3Å; R5-N7 PolarHBondContact O-N 2.93Å; N7-W9 VanDerWaalsContact C-N 3.34Å; N7-V10 PolarHBondContact O-N 3.49Å; N7-Q11 WeakPolarHBondContact O-CG 3.49Å; N7-Q11 PolarHBondContact O-N 3.47Å; N7-K50 PolarHBondContact OD1-NZ 2.75Å; N7-L53 HydrophobicContact CB-CD2 4.07Å |
| 8 | E | 92.5 | Very high | 85.8 | Confident | 98 Ų | 98 | 89.5 Ų | 89.5 | 46% | 0.458 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 173.5 | -67 | 159.4 | -172.5 | 0 | 0 | 111.3 | K4 R5 V10 Q11 L12 | K4-E8 PolarHBondContact O-N 2.93Å; K4-E8 VanDerWaalsContact O-N 3.09Å; R5-E8 WeakPolarHBondContact CA-OE2 3.36Å; R5-E8 WeakPolarHBondContact O-CB 3.23Å; R5-E8 PolarHBondContact O-N 3.5Å; E8-V10 PolarHBondContact O-N 3.19Å; E8-Q11 PolarHBondContact O-N 2.77Å; E8-L12 WeakPolarHBondContact O-CG 3.37Å; E8-L12 PolarHBondContact O-N 2.75Å |
| 9 | W | 94.9 | Very high | 86.2 | Confident | 168 Ų | 168 | 88 Ų | 88 | 64% | 0.636 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.2 | -39 | 176.2 | -63.4 | -11.3 | 0 | 0 | 0 | 113 | R5 P6 N7 L12 L13 | R5-W9 HydrophobicContact CB-CZ2 4.47Å; R5-W9 PolarHBondContact O-N 3.03Å; P6-W9 PolarHBondContact O-N 3.02Å; N7-W9 VanDerWaalsContact C-N 3.34Å; W9-L12 PolarHBondContact O-N 3.29Å; W9-L13 PolarHBondContact O-N 3.49Å |
| 10 | V | 95.3 | Very high | 86.5 | Confident | 11 Ų | 11 | 85.7 Ų | 85.7 | 7% | 0.067 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -66.9 | -37.8 | 174.3 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | P6 N7 E8 L13 L14 V46 K50 L53 V54 | P6-V10 WeakPolarHBondContact O-CG2 3.48Å; P6-V10 PolarHBondContact O-N 3.37Å; N7-V10 PolarHBondContact O-N 3.49Å; E8-V10 PolarHBondContact O-N 3.19Å; V10-L13 PolarHBondContact O-N 2.88Å; V10-L14 HydrophobicContact CG1-CD1 4.09Å; V10-L14 WeakPolarHBondContact O-CB 3.39Å; V10-L14 WeakPolarHBondContact O-CG 3.4Å; V10-L14 PolarHBondContact O-N 3.46Å; V10-V46 HydrophobicContact CB-CG1 4.47Å; V10-V46 HydrophobicContact CG1-CG1 4.05Å; V10-V46 HydrophobicContact CG2-CG1 3.55Å; V10-K50 HydrophobicContact CG2-CG 4.47Å; V10-L53 HydrophobicContact CB-CD2 3.89Å; V10-L53 HydrophobicContact CG1-CD2 3.86Å; V10-L53 HydrophobicContact CG1-CG 4.18Å; V10-V54 HydrophobicContact CG1-CG2 3.95Å |
| 11 | Q | 95.8 | Very high | 86.8 | Confident | 89 Ų | 89 | 81.6 Ų | 81.6 | 42% | 0.416 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 174 | -69.6 | -62.2 | -52.8 | 0 | 0 | 112.5 | N7 E8 L14 S15 L53 | N7-Q11 WeakPolarHBondContact O-CG 3.49Å; N7-Q11 PolarHBondContact O-N 3.47Å; E8-Q11 PolarHBondContact O-N 2.77Å; Q11-L14 PolarHBondContact O-N 2.85Å; Q11-S15 VanDerWaalsContact O-CB 3.3Å; Q11-S15 WeakPolarHBondContact O-CB 3.44Å; Q11-S15 PolarHBondContact O-N 2.84Å; Q11-L53 VanDerWaalsContact NE2-CD1 3.34Å |
| 12 | L | 95.7 | Very high | 88.8 | Confident | 118 Ų | 118 | 71.8 Ų | 71.8 | 62% | 0.618 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.2 | -36.4 | 173 | -71.8 | 169.9 | 0 | 0 | 0 | 112.4 | E8 W9 R16 | E8-L12 WeakPolarHBondContact O-CG 3.37Å; E8-L12 PolarHBondContact O-N 2.75Å; W9-L12 PolarHBondContact O-N 3.29Å; L12-R16 WeakPolarHBondContact O-CB 3.39Å; L12-R16 PolarHBondContact O-N 3.3Å |
| 13 | L | 96.4 | Very high | 90.4 | Very high | 21 Ų | 21 | 69.6 Ų | 69.6 | 11% | 0.11 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67 | -46 | 174.2 | 179.4 | 62.5 | 0 | 0 | 0 | 111.7 | W9 V10 R16 F17 N39 C42 L43 V46 | W9-L13 PolarHBondContact O-N 3.49Å; V10-L13 PolarHBondContact O-N 2.88Å; L13-R16 PolarHBondContact O-N 3.33Å; L13-F17 WeakPolarHBondContact O-CB 3.39Å; L13-F17 PolarHBondContact O-N 3.47Å; L13-N39 HydrophobicContact CD1-CB 4.27Å; L13-C42 HydrophobicContact CD1-CB 4.4Å; L13-C42 HydrophobicContact CD2-CB 4.05Å; L13-C42 VanDerWaalsContact CD2-SG 3.57Å; L13-L43 HydrophobicContact CD2-CD2 3.69Å; L13-L43 HydrophobicContact CD2-CG 3.9Å; L13-L43 HydrophobicContact CG-CD2 3.81Å; L13-L43 HydrophobicContact CG-CG 3.99Å; L13-V46 HydrophobicContact CD2-CG2 4.43Å |
| 14 | L | 97 | Very high | 91.9 | Very high | 8 Ų | 8 | 68.8 Ų | 68.8 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 174.6 | -75.2 | 163.6 | 0 | 0 | 0 | 111.8 | V10 Q11 F17 D18 L43 L58 | V10-L14 HydrophobicContact CG1-CD1 4.09Å; V10-L14 WeakPolarHBondContact O-CB 3.39Å; V10-L14 WeakPolarHBondContact O-CG 3.4Å; V10-L14 PolarHBondContact O-N 3.46Å; Q11-L14 PolarHBondContact O-N 2.85Å; L14-F17 WeakPolarHBondContact O-CB 3.43Å; L14-F17 PolarHBondContact O-N 3.3Å; L14-D18 WeakPolarHBondContact O-CB 3.48Å; L14-D18 PolarHBondContact O-N 3.41Å; L14-L43 HydrophobicContact CD2-CD1 4.39Å; L14-L43 HydrophobicContact CD2-CD2 3.71Å; L14-L43 HydrophobicContact CG-CD2 3.98Å; L14-L58 HydrophobicContact CD2-CD2 4.48Å; L14-L58 HydrophobicContact CD2-CG 4.45Å |
| 15 | S | 96 | Very high | 92.8 | Very high | 78 Ų | 78 | 65 Ų | 65 | 55% | 0.545 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 176.9 | 176.5 | 0 | 0 | 0 | 0 | 112.2 | Q11 S19 | Q11-S15 VanDerWaalsContact O-CB 3.3Å; Q11-S15 WeakPolarHBondContact O-CB 3.44Å; Q11-S15 PolarHBondContact O-N 2.84Å; S15-S19 VanDerWaalsContact O-CB 3.31Å; S15-S19 WeakPolarHBondContact O-CB 3.43Å; S15-S19 PolarHBondContact O-N 2.97Å; S15-S19 PolarHBondContact O-OG 3.36Å |
| 16 | R | 94.5 | Very high | 92.7 | Very high | 142 Ų | 142 | 58.2 Ų | 58.2 | 54% | 0.536 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 172.2 | 179.8 | -178 | -67.9 | 174.3 | -1.9 | 111.4 | L12 L13 S19 Q20 | L12-R16 WeakPolarHBondContact O-CB 3.39Å; L12-R16 PolarHBondContact O-N 3.3Å; L13-R16 PolarHBondContact O-N 3.33Å; R16-S19 WeakPolarHBondContact CA-OG 3.34Å; R16-S19 PolarHBondContact O-N 3.46Å; R16-S19 PolarHBondContact O-OG 3.24Å; R16-Q20 WeakPolarHBondContact O-CG 3.44Å; R16-Q20 PolarHBondContact O-N 3.13Å |
| 17 | F | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.7 | -50.1 | 179.7 | -168.4 | -110.9 | 0 | 0 | 0 | 111.2 | L13 L14 S19 Q20 M36 N39 K40 L43 L58 M61 I85 V86 T89 | L13-F17 WeakPolarHBondContact O-CB 3.39Å; L13-F17 PolarHBondContact O-N 3.47Å; L14-F17 WeakPolarHBondContact O-CB 3.43Å; L14-F17 PolarHBondContact O-N 3.3Å; F17-S19 PolarHBondContact O-N 3.37Å; F17-Q20 PolarHBondContact O-N 3.17Å; F17-Q20 VanDerWaalsContact O-N 3.16Å; F17-M36 HydrophobicContact CD2-SD 3.45Å; F17-M36 WeakPolarHBondContact CD2-SD 3.48Å; F17-M36 HydrophobicContact CE2-CG 4.49Å; F17-M36 HydrophobicContact CE2-SD 3.16Å; F17-M36 WeakPolarHBondContact CE2-SD 3.19Å; F17-M36 HydrophobicContact CG-SD 4.4Å; F17-M36 HydrophobicContact CZ-SD 3.94Å; F17-N39 HydrophobicContact CD2-CB 3.84Å; F17-K40 HydrophobicContact CE2-CB 3.83Å; F17-K40 HydrophobicContact CZ-CB 4.32Å; F17-L43 HydrophobicContact CB-CD1 3.83Å; F17-L43 HydrophobicContact CD1-CD1 3.64Å; F17-L43 HydrophobicContact CD2-CD1 3.82Å; F17-L43 HydrophobicContact CE1-CD1 4.12Å; F17-L43 HydrophobicContact CE2-CD1 4.26Å; F17-L43 HydrophobicContact CG-CD1 3.49Å; F17-L43 VanDerWaalsContact CG-CD1 3.49Å; F17-L43 HydrophobicContact CZ-CD1 4.41Å; F17-L58 HydrophobicContact CD1-CD2 4.22Å; F17-L58 HydrophobicContact CE1-CD2 4.02Å; F17-M61 HydrophobicContact CD1-CE 3.85Å; F17-M61 HydrophobicContact CD1-SD 3.65Å; F17-M61 HydrophobicContact CE1-SD 4.13Å; F17-I85 HydrophobicContact CE1-CG2 4.39Å; F17-I85 HydrophobicContact CE2-CG2 4.3Å; F17-I85 HydrophobicContact CZ-CG2 3.67Å; F17-V86 HydrophobicContact CE1-CG2 4.41Å; F17-T89 HydrophobicContact CE1-CG2 4.31Å; F17-T89 HydrophobicContact CZ-CG2 4.11Å; F17-T89 WeakPolarHBondContact CZ-OG1 3.43Å |
| 18 | D | 95 | Very high | 91 | Very high | 24 Ų | 24 | 62.6 Ų | 62.6 | 13% | 0.128 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -55.9 | -48.5 | 174.3 | -166.8 | 0.5 | 0 | 0 | 0 | 111.6 | L14 Q20 L21 R24 M61 | L14-D18 WeakPolarHBondContact O-CB 3.48Å; L14-D18 PolarHBondContact O-N 3.41Å; D18-Q20 PolarHBondContact O-N 2.95Å; D18-L21 PolarHBondContact O-N 3.36Å; D18-L21 VanDerWaalsContact O-N 3.14Å; D18-R24 WeakPolarHBondContact O-CD 3.48Å; D18-R24 PolarHBondContact O-NE 3.05Å; D18-R24 IonicContact OD1-CZ 2.89Å; D18-R24 IonicContact OD1-NE 2.79Å; D18-R24 PolarHBondContact OD1-NE 3.49Å; D18-R24 IonicContact OD1-NH2 2.79Å; D18-R24 PolarHBondContact OD1-NH2 2.69Å; D18-R24 IonicContact OD2-CZ 2.72Å; D18-R24 IonicContact OD2-NH2 3.22Å; D18-R24 PolarHBondContact OD2-NH2 2.68Å; D18-M61 HydrophobicContact CB-CE 3.69Å; D18-M61 HydrophobicContact CB-CG 4.33Å; D18-M61 HydrophobicContact CB-SD 4.02Å |
| 19 | S | 93.1 | Very high | 90.2 | Very high | 61 Ų | 61 | 62.4 Ų | 62.4 | 43% | 0.427 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.6 | -15.7 | -179.3 | 74.7 | 0 | 0 | 0 | 0 | 115 | S15 R16 F17 T25 | S15-S19 VanDerWaalsContact O-CB 3.31Å; S15-S19 WeakPolarHBondContact O-CB 3.43Å; S15-S19 PolarHBondContact O-N 2.97Å; S15-S19 PolarHBondContact O-OG 3.36Å; R16-S19 WeakPolarHBondContact CA-OG 3.34Å; R16-S19 PolarHBondContact O-N 3.46Å; R16-S19 PolarHBondContact O-OG 3.24Å; F17-S19 PolarHBondContact O-N 3.37Å; S19-T25 WeakPolarHBondContact O-CG2 3.39Å |
| 20 | Q | 92.5 | Very high | 89.1 | Confident | 41 Ų | 41 | 58.3 Ų | 58.3 | 19% | 0.192 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 7.2 | -179.1 | -70 | -176 | -16.2 | 0 | 0 | 113.1 | R16 F17 D18 H28 M36 N39 | R16-Q20 WeakPolarHBondContact O-CG 3.44Å; R16-Q20 PolarHBondContact O-N 3.13Å; F17-Q20 PolarHBondContact O-N 3.17Å; F17-Q20 VanDerWaalsContact O-N 3.16Å; D18-Q20 PolarHBondContact O-N 2.95Å; Q20-H28 PolarHBondContact O-CE1 2.8Å; Q20-H28 PolarHBondContact O-NE2 3.3Å; Q20-M36 HydrophobicContact CB-CE 3.6Å; Q20-M36 WeakPolarHBondContact O-CE 3.41Å; Q20-N39 PolarHBondContact OE1-ND2 2.7Å |
| 21 | L | 92.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -68.6 | 142.9 | 176.8 | -68.7 | 174.4 | 0 | 0 | 0 | 111.7 | D18 I23 R24 T25 M36 M61 I65 I85 V86 | D18-L21 PolarHBondContact O-N 3.36Å; D18-L21 VanDerWaalsContact O-N 3.14Å; L21-I23 HydrophobicContact CB-CG2 4.18Å; L21-I23 PolarHBondContact O-N 2.93Å; L21-I23 VanDerWaalsContact O-N 3.08Å; L21-R24 WeakPolarHBondContact O-CA 3.46Å; L21-R24 PolarHBondContact O-N 2.98Å; L21-T25 PolarHBondContact O-N 3.31Å; L21-T25 VanDerWaalsContact O-N 3.14Å; L21-T25 PolarHBondContact O-OG1 3.03Å; L21-M36 HydrophobicContact CD2-CE 4.06Å; L21-M61 HydrophobicContact CD1-CG 3.89Å; L21-M61 HydrophobicContact CD1-SD 3.85Å; L21-I65 HydrophobicContact CD1-CD1 3.8Å; L21-I65 HydrophobicContact CD1-CG1 4.22Å; L21-I85 HydrophobicContact CD2-CB 4.41Å; L21-I85 HydrophobicContact CD2-CG2 4.06Å; L21-V86 HydrophobicContact CD1-CG2 4.08Å; L21-V86 HydrophobicContact CD2-CG2 3.89Å |
| 22 | P | 91.3 | Very high | 87.4 | Confident | 6 Ų | 6 | 60.9 Ų | 60.9 | 4% | 0.039 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -51 | -34.6 | 178.8 | -26.3 | 29 | 0 | 0 | 0 | 114.6 | R24 T25 G26 H28 N78 D81 S82 I85 | P22-R24 PolarHBondContact O-N 3.06Å; P22-T25 PolarHBondContact O-N 3.14Å; P22-G26 VanDerWaalsContact O-CA 3.32Å; P22-G26 WeakPolarHBondContact O-CA 3.1Å; P22-G26 PolarHBondContact O-N 3.11Å; P22-H28 WeakPolarHBondContact CA-NE2 3.33Å; P22-N78 HydrophobicContact CB-CB 4.08Å; P22-D81 HydrophobicContact CB-CB 4.48Å; P22-D81 HydrophobicContact CG-CB 4.18Å; P22-S82 VanDerWaalsContact CD-OG 3.31Å; P22-S82 WeakPolarHBondContact CD-OG 3.26Å; P22-I85 HydrophobicContact CG-CD1 3.96Å |
| 23 | I | 90.8 | Very high | 86.7 | Confident | 32 Ų | 32 | 58.5 Ų | 58.5 | 16% | 0.164 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.4 | -15.6 | 177 | -165.1 | 54 | 0 | 0 | 0 | 113.7 | L21 M68 F79 S82 | L21-I23 HydrophobicContact CB-CG2 4.18Å; L21-I23 PolarHBondContact O-N 2.93Å; L21-I23 VanDerWaalsContact O-N 3.08Å; I23-M68 HydrophobicContact CB-SD 4.43Å; I23-M68 HydrophobicContact CG1-CE 4.45Å; I23-M68 HydrophobicContact CG1-SD 3.77Å; I23-M68 HydrophobicContact CG2-SD 3.75Å; I23-F79 HydrophobicContact CD1-CB 3.96Å; I23-F79 HydrophobicContact CG1-CB 4.48Å; I23-S82 WeakPolarHBondContact CB-OG 3.39Å; I23-S82 WeakPolarHBondContact CG2-OG 3.42Å; I23-S82 PolarHBondContact N-OG 2.81Å |
| 24 | R | 90.4 | Very high | 86.2 | Confident | 114 Ų | 114 | 61.2 Ų | 61.2 | 43% | 0.43 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -102.8 | -34.1 | 174.4 | -60.4 | -168.9 | -172 | -93.1 | 3.8 | 113.6 | D18 L21 P22 M68 | D18-R24 WeakPolarHBondContact O-CD 3.48Å; D18-R24 PolarHBondContact O-NE 3.05Å; D18-R24 IonicContact OD1-CZ 2.89Å; D18-R24 IonicContact OD1-NE 2.79Å; D18-R24 PolarHBondContact OD1-NE 3.49Å; D18-R24 IonicContact OD1-NH2 2.79Å; D18-R24 PolarHBondContact OD1-NH2 2.69Å; D18-R24 IonicContact OD2-CZ 2.72Å; D18-R24 IonicContact OD2-NH2 3.22Å; D18-R24 PolarHBondContact OD2-NH2 2.68Å; L21-R24 WeakPolarHBondContact O-CA 3.46Å; L21-R24 PolarHBondContact O-N 2.98Å; P22-R24 PolarHBondContact O-N 3.06Å; R24-M68 HydrophobicContact CG-CE 4.35Å |
| 25 | T | 87.9 | Confident | 85.7 | Confident | 71 Ų | 71 | 63.4 Ų | 63.4 | 44% | 0.436 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -106.1 | -14.5 | -173.3 | 48.2 | 0 | 0 | 0 | 0 | 115 | S19 L21 P22 H28 | S19-T25 WeakPolarHBondContact O-CG2 3.39Å; L21-T25 PolarHBondContact O-N 3.31Å; L21-T25 VanDerWaalsContact O-N 3.14Å; L21-T25 PolarHBondContact O-OG1 3.03Å; P22-T25 PolarHBondContact O-N 3.14Å; T25-H28 PolarHBondContact OG1-CE1 3.02Å; T25-H28 PolarHBondContact OG1-NE2 3.03Å; T25-H28 VanDerWaalsContact OG1-NE2 3.13Å |
| 26 | G | 82.2 | Confident | 85.4 | Confident | 22 Ų | 22 | 60 Ų | 60 | 23% | 0.227 | 32% | 0.323 | C | S | . | . | trans | 66.8 | -142.4 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112 | P22 H28 | P22-G26 VanDerWaalsContact O-CA 3.32Å; P22-G26 WeakPolarHBondContact O-CA 3.1Å; P22-G26 PolarHBondContact O-N 3.11Å; G26-H28 PolarHBondContact O-CD2 3.35Å; G26-H28 PolarHBondContact O-N 3.23Å | ||
| 27 | I | 69.9 | Low | 85.2 | Confident | 163 Ų | 163 | 56.7 Ų | 56.7 | 84% | 0.836 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -64.2 | 121.6 | -171.8 | -56.9 | 175.3 | 0 | 0 | 0 | 111.5 | ||
| 28 | H | 70.5 | Confident | 85 | Confident | 47 Ų | 47 | 62.6 Ų | 62.6 | 22% | 0.218 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 135.1 | 177.7 | -73.4 | -86.8 | 0 | 0 | 0 | 112.8 | Q20 P22 T25 G26 S32 | Q20-H28 PolarHBondContact O-CE1 2.8Å; Q20-H28 PolarHBondContact O-NE2 3.3Å; P22-H28 WeakPolarHBondContact CA-NE2 3.33Å; T25-H28 PolarHBondContact OG1-CE1 3.02Å; T25-H28 PolarHBondContact OG1-NE2 3.03Å; T25-H28 VanDerWaalsContact OG1-NE2 3.13Å; G26-H28 PolarHBondContact O-CD2 3.35Å; G26-H28 PolarHBondContact O-N 3.23Å; H28-S32 PolarHBondContact ND1-OG 3.44Å |
| 29 | T | 76 | Confident | 85 | Confident | 95 Ų | 95 | 62.1 Ų | 62.1 | 58% | 0.583 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 153.2 | 158.7 | 65.1 | 0 | 0 | 0 | 0 | 110 | Q31 S32 T33 | T29-Q31 PolarHBondContact O-N 3Å; T29-Q31 VanDerWaalsContact O-N 3.1Å; T29-S32 WeakPolarHBondContact O-CA 3.1Å; T29-S32 VanDerWaalsContact O-CB 3.22Å; T29-S32 WeakPolarHBondContact O-CB 3.29Å; T29-S32 PolarHBondContact O-N 3.44Å; T29-S32 PolarHBondContact OG1-N 2.94Å; T29-T33 PolarHBondContact O-N 2.91Å; T29-T33 PolarHBondContact O-OG1 3.11Å |
| 30 | A | 72 | Confident | 85.1 | Confident | 82 Ų | 82 | 59.6 Ų | 59.6 | 68% | 0.678 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -54.8 | -33.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q34 | A30-Q34 WeakPolarHBondContact O-CB 3.39Å; A30-Q34 PolarHBondContact O-N 3.22Å |
| 31 | Q | 76.6 | Confident | 85.2 | Confident | 125 Ų | 125 | 63.4 Ų | 63.4 | 58% | 0.584 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -70.5 | -33.3 | 174.3 | -169.1 | 177.7 | 13.3 | 0 | 0 | 112.5 | T29 N35 | T29-Q31 PolarHBondContact O-N 3Å; T29-Q31 VanDerWaalsContact O-N 3.1Å; Q31-N35 WeakPolarHBondContact O-CB 3.13Å; Q31-N35 PolarHBondContact O-N 2.94Å; Q31-N35 PolarHBondContact O-ND2 3.23Å |
| 32 | S | 78.8 | Confident | 85.4 | Confident | 29 Ų | 29 | 66.1 Ų | 66.1 | 20% | 0.203 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.6 | -47.7 | 172.7 | -167.2 | 0 | 0 | 0 | 0 | 110.7 | H28 T29 Q34 N35 M36 | H28-S32 PolarHBondContact ND1-OG 3.44Å; T29-S32 WeakPolarHBondContact O-CA 3.1Å; T29-S32 VanDerWaalsContact O-CB 3.22Å; T29-S32 WeakPolarHBondContact O-CB 3.29Å; T29-S32 PolarHBondContact O-N 3.44Å; T29-S32 PolarHBondContact OG1-N 2.94Å; S32-Q34 PolarHBondContact O-N 2.88Å; S32-N35 PolarHBondContact O-N 2.91Å; S32-N35 VanDerWaalsContact O-N 3.14Å; S32-M36 PolarHBondContact O-N 3.1Å |
| 33 | T | 82.2 | Confident | 85.6 | Confident | 68 Ų | 68 | 65.9 Ų | 65.9 | 42% | 0.417 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.6 | -44.5 | 174.4 | -42.9 | 0 | 0 | 0 | 0 | 112.1 | T29 N35 M36 E37 | T29-T33 PolarHBondContact O-N 2.91Å; T29-T33 PolarHBondContact O-OG1 3.11Å; T33-N35 VanDerWaalsContact C-N 3.29Å; T33-N35 PolarHBondContact O-N 3.11Å; T33-M36 WeakPolarHBondContact O-CB 3.48Å; T33-M36 PolarHBondContact O-N 3.05Å; T33-E37 PolarHBondContact O-N 3.06Å |
| 34 | Q | 84.3 | Confident | 85.8 | Confident | 77 Ų | 77 | 65 Ų | 65 | 36% | 0.36 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.1 | -33.6 | 177.4 | -166.6 | -175 | 72.5 | 0 | 0 | 112.5 | A30 S32 R38 | A30-Q34 WeakPolarHBondContact O-CB 3.39Å; A30-Q34 PolarHBondContact O-N 3.22Å; S32-Q34 PolarHBondContact O-N 2.88Å; Q34-R38 WeakPolarHBondContact O-CG 3.39Å; Q34-R38 PolarHBondContact O-N 3.04Å |
| 35 | N | 86.6 | Confident | 86 | Confident | 55 Ų | 55 | 63.8 Ų | 63.8 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -74.4 | -34.1 | 175.1 | -71.7 | -22.7 | 0 | 0 | 0 | 112.3 | Q31 S32 T33 R38 N39 | Q31-N35 WeakPolarHBondContact O-CB 3.13Å; Q31-N35 PolarHBondContact O-N 2.94Å; Q31-N35 PolarHBondContact O-ND2 3.23Å; S32-N35 PolarHBondContact O-N 2.91Å; S32-N35 VanDerWaalsContact O-N 3.14Å; T33-N35 VanDerWaalsContact C-N 3.29Å; T33-N35 PolarHBondContact O-N 3.11Å; N35-R38 PolarHBondContact O-N 3.13Å; N35-R38 PolarHBondContact OD1-NH1 3.26Å; N35-N39 VanDerWaalsContact O-CG 3.25Å; N35-N39 PolarHBondContact O-N 3.42Å; N35-N39 PolarHBondContact O-ND2 3.47Å; N35-N39 VanDerWaalsContact O-ND2 3.11Å |
| 36 | M | 89.5 | Confident | 86.3 | Confident | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.03 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.1 | -52 | 171.7 | 176.2 | 57.9 | 85 | 0 | 0 | 111.3 | F17 Q20 L21 S32 T33 R38 N39 K40 I85 | F17-M36 HydrophobicContact CD2-SD 3.45Å; F17-M36 WeakPolarHBondContact CD2-SD 3.48Å; F17-M36 HydrophobicContact CE2-CG 4.49Å; F17-M36 HydrophobicContact CE2-SD 3.16Å; F17-M36 WeakPolarHBondContact CE2-SD 3.19Å; F17-M36 HydrophobicContact CG-SD 4.4Å; F17-M36 HydrophobicContact CZ-SD 3.94Å; Q20-M36 HydrophobicContact CB-CE 3.6Å; Q20-M36 WeakPolarHBondContact O-CE 3.41Å; L21-M36 HydrophobicContact CD2-CE 4.06Å; S32-M36 PolarHBondContact O-N 3.1Å; T33-M36 WeakPolarHBondContact O-CB 3.48Å; T33-M36 PolarHBondContact O-N 3.05Å; M36-R38 VanDerWaalsContact C-N 3.34Å; M36-R38 PolarHBondContact O-N 3.35Å; M36-N39 WeakPolarHBondContact O-CB 3.33Å; M36-N39 PolarHBondContact O-N 2.68Å; M36-K40 WeakPolarHBondContact O-CB 3.48Å; M36-K40 PolarHBondContact O-N 3.24Å; M36-I85 HydrophobicContact CE-CG2 4.49Å; M36-I85 HydrophobicContact CG-CG2 4.34Å; M36-I85 HydrophobicContact SD-CG2 4.02Å |
| 37 | E | 90.6 | Very high | 86.8 | Confident | 73 Ų | 73 | 61 Ų | 61 | 34% | 0.341 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63 | -37 | 178.7 | -71.4 | -59.7 | 133.5 | 0 | 0 | 112.3 | T33 N39 K40 E41 | T33-E37 PolarHBondContact O-N 3.06Å; E37-N39 VanDerWaalsContact C-N 3.35Å; E37-N39 PolarHBondContact O-N 3.37Å; E37-K40 VanDerWaalsContact CD-NZ 3.35Å; E37-K40 WeakPolarHBondContact O-CB 3.34Å; E37-K40 PolarHBondContact O-N 2.95Å; E37-K40 WeakPolarHBondContact OE1-CD 3.28Å; E37-K40 IonicContact OE1-NZ 2.65Å; E37-K40 PolarHBondContact OE1-NZ 3.2Å; E37-K40 WeakPolarHBondContact OE2-CD 3.47Å; E37-K40 WeakPolarHBondContact OE2-CE 3.46Å; E37-K40 IonicContact OE2-NZ 2.6Å; E37-K40 PolarHBondContact OE2-NZ 3.07Å; E37-K40 VanDerWaalsContact OE2-NZ 3.14Å; E37-E41 WeakPolarHBondContact O-CG 3.41Å; E37-E41 PolarHBondContact O-N 3.44Å |
| 38 | R | 92.9 | Very high | 87.7 | Confident | 124 Ų | 124 | 58.5 Ų | 58.5 | 47% | 0.468 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 170.9 | -75.6 | 178.7 | -177.5 | 119 | 6.3 | 113.1 | Q34 N35 M36 C42 | Q34-R38 WeakPolarHBondContact O-CG 3.39Å; Q34-R38 PolarHBondContact O-N 3.04Å; N35-R38 PolarHBondContact O-N 3.13Å; N35-R38 PolarHBondContact OD1-NH1 3.26Å; M36-R38 VanDerWaalsContact C-N 3.34Å; M36-R38 PolarHBondContact O-N 3.35Å; R38-C42 VanDerWaalsContact O-CB 3.28Å; R38-C42 WeakPolarHBondContact O-CB 3.31Å; R38-C42 PolarHBondContact O-N 3.15Å |
| 39 | N | 93.8 | Very high | 88.5 | Confident | 14 Ų | 14 | 65.6 Ų | 65.6 | 8% | 0.075 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.9 | -37.7 | 176.9 | -69.1 | -36 | 0 | 0 | 0 | 111.2 | L13 F17 Q20 N35 M36 E37 C42 L43 | L13-N39 HydrophobicContact CD1-CB 4.27Å; F17-N39 HydrophobicContact CD2-CB 3.84Å; Q20-N39 PolarHBondContact OE1-ND2 2.7Å; N35-N39 VanDerWaalsContact O-CG 3.25Å; N35-N39 PolarHBondContact O-N 3.42Å; N35-N39 PolarHBondContact O-ND2 3.47Å; N35-N39 VanDerWaalsContact O-ND2 3.11Å; M36-N39 WeakPolarHBondContact O-CB 3.33Å; M36-N39 PolarHBondContact O-N 2.68Å; E37-N39 VanDerWaalsContact C-N 3.35Å; E37-N39 PolarHBondContact O-N 3.37Å; N39-C42 WeakPolarHBondContact O-CB 3.26Å; N39-C42 PolarHBondContact O-N 3.28Å; N39-L43 WeakPolarHBondContact O-CG 3.4Å; N39-L43 PolarHBondContact O-N 3.28Å |
| 40 | K | 95.1 | Very high | 89.1 | Confident | 7 Ų | 7 | 64.6 Ų | 64.6 | 3% | 0.03 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.7 | -51.8 | 173.8 | 177 | 162.7 | 160.8 | -162.7 | 0 | 112.2 | F17 M36 E37 C42 L43 V44 E88 T89 | F17-K40 HydrophobicContact CE2-CB 3.83Å; F17-K40 HydrophobicContact CZ-CB 4.32Å; M36-K40 WeakPolarHBondContact O-CB 3.48Å; M36-K40 PolarHBondContact O-N 3.24Å; E37-K40 VanDerWaalsContact CD-NZ 3.35Å; E37-K40 WeakPolarHBondContact O-CB 3.34Å; E37-K40 PolarHBondContact O-N 2.95Å; E37-K40 WeakPolarHBondContact OE1-CD 3.28Å; E37-K40 IonicContact OE1-NZ 2.65Å; E37-K40 PolarHBondContact OE1-NZ 3.2Å; E37-K40 WeakPolarHBondContact OE2-CD 3.47Å; E37-K40 WeakPolarHBondContact OE2-CE 3.46Å; E37-K40 IonicContact OE2-NZ 2.6Å; E37-K40 PolarHBondContact OE2-NZ 3.07Å; E37-K40 VanDerWaalsContact OE2-NZ 3.14Å; K40-C42 VanDerWaalsContact C-N 3.28Å; K40-C42 PolarHBondContact O-N 2.99Å; K40-L43 PolarHBondContact O-N 3.29Å; K40-V44 WeakPolarHBondContact O-CG2 3.47Å; K40-V44 PolarHBondContact O-N 3.49Å; K40-E88 VanDerWaalsContact CE-OE2 3.31Å; K40-E88 WeakPolarHBondContact CE-OE2 3.49Å; K40-E88 IonicContact NZ-OE2 2.81Å; K40-E88 PolarHBondContact NZ-OE2 3.2Å; K40-T89 WeakPolarHBondContact CD-OG1 3.5Å; K40-T89 HydrophobicContact CG-CG2 4.26Å; K40-T89 WeakPolarHBondContact CG-OG1 3.26Å |
| 41 | E | 95.5 | Very high | 89.9 | Confident | 122 Ų | 122 | 61.2 Ų | 61.2 | 57% | 0.57 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -57.4 | -40.6 | 172.8 | -72.8 | -178.3 | 155.7 | 0 | 0 | 111.9 | E37 V44 N45 | E37-E41 WeakPolarHBondContact O-CG 3.41Å; E37-E41 PolarHBondContact O-N 3.44Å; E41-V44 PolarHBondContact O-N 3.31Å; E41-N45 PolarHBondContact O-N 3.19Å; E41-N45 PolarHBondContact O-ND2 2.95Å |
| 42 | C | 96 | Very high | 90.5 | Very high | 57 Ų | 57 | 57.1 Ų | 57.1 | 39% | 0.385 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 176.7 | -166.7 | 0 | 0 | 0 | 0 | 111.7 | L13 R38 N39 K40 V44 N45 V46 | L13-C42 HydrophobicContact CD1-CB 4.4Å; L13-C42 HydrophobicContact CD2-CB 4.05Å; L13-C42 VanDerWaalsContact CD2-SG 3.57Å; R38-C42 VanDerWaalsContact O-CB 3.28Å; R38-C42 WeakPolarHBondContact O-CB 3.31Å; R38-C42 PolarHBondContact O-N 3.15Å; N39-C42 WeakPolarHBondContact O-CB 3.26Å; N39-C42 PolarHBondContact O-N 3.28Å; K40-C42 VanDerWaalsContact C-N 3.28Å; K40-C42 PolarHBondContact O-N 2.99Å; C42-V44 PolarHBondContact O-N 2.89Å; C42-N45 PolarHBondContact O-N 2.82Å; C42-V46 WeakPolarHBondContact O-CB 3.46Å; C42-V46 VanDerWaalsContact O-CG2 3.26Å; C42-V46 WeakPolarHBondContact O-CG2 3.29Å; C42-V46 PolarHBondContact O-N 3.16Å |
| 43 | L | 96.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 176.2 | -75.7 | 169.7 | 0 | 0 | 0 | 112.7 | L13 L14 F17 N39 K40 N45 V46 S47 V54 T89 | L13-L43 HydrophobicContact CD2-CD2 3.69Å; L13-L43 HydrophobicContact CD2-CG 3.9Å; L13-L43 HydrophobicContact CG-CD2 3.81Å; L13-L43 HydrophobicContact CG-CG 3.99Å; L14-L43 HydrophobicContact CD2-CD1 4.39Å; L14-L43 HydrophobicContact CD2-CD2 3.71Å; L14-L43 HydrophobicContact CG-CD2 3.98Å; F17-L43 HydrophobicContact CB-CD1 3.83Å; F17-L43 HydrophobicContact CD1-CD1 3.64Å; F17-L43 HydrophobicContact CD2-CD1 3.82Å; F17-L43 HydrophobicContact CE1-CD1 4.12Å; F17-L43 HydrophobicContact CE2-CD1 4.26Å; F17-L43 HydrophobicContact CG-CD1 3.49Å; F17-L43 VanDerWaalsContact CG-CD1 3.49Å; F17-L43 HydrophobicContact CZ-CD1 4.41Å; N39-L43 WeakPolarHBondContact O-CG 3.4Å; N39-L43 PolarHBondContact O-N 3.28Å; K40-L43 PolarHBondContact O-N 3.29Å; L43-N45 VanDerWaalsContact C-N 3.3Å; L43-N45 PolarHBondContact O-N 3.1Å; L43-V46 PolarHBondContact O-N 3.46Å; L43-S47 WeakPolarHBondContact O-CB 3.19Å; L43-S47 PolarHBondContact O-N 3.09Å; L43-S47 PolarHBondContact O-OG 3.08Å; L43-V54 HydrophobicContact CD2-CG1 4.23Å; L43-T89 HydrophobicContact CB-CG2 4.28Å; L43-T89 HydrophobicContact CD1-CG2 4.45Å |
| 44 | V | 95.4 | Very high | 91.6 | Very high | 15 Ų | 15 | 54.8 Ų | 54.8 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.9 | -28.7 | 177 | 172.1 | 0 | 0 | 0 | 0 | 112.7 | K40 E41 C42 S47 T89 K92 C96 | K40-V44 WeakPolarHBondContact O-CG2 3.47Å; K40-V44 PolarHBondContact O-N 3.49Å; E41-V44 PolarHBondContact O-N 3.31Å; C42-V44 PolarHBondContact O-N 2.89Å; V44-S47 PolarHBondContact O-OG 3.27Å; V44-S47 VanDerWaalsContact O-OG 3.04Å; V44-T89 HydrophobicContact CG2-CG2 4.33Å; V44-K92 HydrophobicContact CG1-CB 4.02Å; V44-K92 HydrophobicContact CG2-CB 3.64Å; V44-C96 HydrophobicContact CG1-CB 4.46Å |
| 45 | N | 94.2 | Very high | 92.1 | Very high | 88 Ų | 88 | 51.3 Ų | 51.3 | 47% | 0.471 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -80.7 | -36.5 | 172.4 | -77 | -64.5 | 0 | 0 | 0 | 112.4 | E41 C42 L43 Y49 | E41-N45 PolarHBondContact O-N 3.19Å; E41-N45 PolarHBondContact O-ND2 2.95Å; C42-N45 PolarHBondContact O-N 2.82Å; L43-N45 VanDerWaalsContact C-N 3.3Å; L43-N45 PolarHBondContact O-N 3.1Å; N45-Y49 WeakPolarHBondContact O-CD2 3.32Å |
| 46 | V | 93.9 | Very high | 92.4 | Very high | 33 Ų | 33 | 50.3 Ų | 50.3 | 20% | 0.2 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.9 | -35.9 | 177.9 | 166.7 | 0 | 0 | 0 | 0 | 112.2 | V10 L13 C42 L43 R48 Y49 K50 V54 | V10-V46 HydrophobicContact CB-CG1 4.47Å; V10-V46 HydrophobicContact CG1-CG1 4.05Å; V10-V46 HydrophobicContact CG2-CG1 3.55Å; L13-V46 HydrophobicContact CD2-CG2 4.43Å; C42-V46 WeakPolarHBondContact O-CB 3.46Å; C42-V46 VanDerWaalsContact O-CG2 3.26Å; C42-V46 WeakPolarHBondContact O-CG2 3.29Å; C42-V46 PolarHBondContact O-N 3.16Å; L43-V46 PolarHBondContact O-N 3.46Å; V46-R48 PolarHBondContact O-N 3.03Å; V46-Y49 PolarHBondContact O-N 3.38Å; V46-K50 HydrophobicContact CG1-CB 4.12Å; V46-K50 HydrophobicContact CG1-CG 4.49Å; V46-K50 PolarHBondContact O-N 3.46Å; V46-V54 HydrophobicContact CB-CG2 4.49Å; V46-V54 HydrophobicContact CG1-CG2 3.76Å |
| 47 | S | 91.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.8 | -30.1 | -179.5 | 62.9 | 0 | 0 | 0 | 0 | 112.8 | L43 V44 Y49 K50 F51 C93 | L43-S47 WeakPolarHBondContact O-CB 3.19Å; L43-S47 PolarHBondContact O-N 3.09Å; L43-S47 PolarHBondContact O-OG 3.08Å; V44-S47 PolarHBondContact O-OG 3.27Å; V44-S47 VanDerWaalsContact O-OG 3.04Å; S47-Y49 PolarHBondContact O-N 2.9Å; S47-Y49 VanDerWaalsContact O-N 3.12Å; S47-K50 PolarHBondContact O-N 3.26Å; S47-F51 WeakPolarHBondContact O-CA 3.19Å; S47-F51 VanDerWaalsContact O-CB 3.28Å; S47-F51 WeakPolarHBondContact O-CB 3.35Å; S47-F51 PolarHBondContact O-N 2.95Å; S47-C93 PolarHBondContact OG-SG 2.84Å |
| 48 | R | 89.2 | Confident | 93 | Very high | 110 Ų | 110 | 47.1 Ų | 47.1 | 42% | 0.415 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.8 | -22.8 | 174.2 | -56.8 | 180 | -176.3 | -151.8 | -6.2 | 114.3 | V46 C96 | V46-R48 PolarHBondContact O-N 3.03Å; R48-C96 HydrophobicContact CG-CB 4.45Å; R48-C96 PolarHBondContact NH2-SG 3.49Å |
| 49 | Y | 87.1 | Confident | 93.1 | Very high | 196 Ų | 196 | 41.5 Ų | 41.5 | 77% | 0.769 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -118.8 | -16.1 | -178.9 | -51.9 | -80.5 | 0 | 0 | 0 | 113.5 | N45 V46 S47 | N45-Y49 WeakPolarHBondContact O-CD2 3.32Å; V46-Y49 PolarHBondContact O-N 3.38Å; S47-Y49 PolarHBondContact O-N 2.9Å; S47-Y49 VanDerWaalsContact O-N 3.12Å |
| 50 | K | 89.2 | Confident | 93.2 | Very high | 75 Ų | 75 | 46.2 Ų | 46.2 | 33% | 0.326 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -137.4 | 34.5 | -174 | -66.8 | -69.8 | -179.9 | 168.3 | 0 | 111.8 | N7 V10 V46 S47 S52 L53 V54 | N7-K50 PolarHBondContact OD1-NZ 2.75Å; V10-K50 HydrophobicContact CG2-CG 4.47Å; V46-K50 HydrophobicContact CG1-CB 4.12Å; V46-K50 HydrophobicContact CG1-CG 4.49Å; V46-K50 PolarHBondContact O-N 3.46Å; S47-K50 PolarHBondContact O-N 3.26Å; K50-S52 PolarHBondContact O-N 2.91Å; K50-L53 HydrophobicContact CB-CB 4.43Å; K50-L53 WeakPolarHBondContact O-CB 3.43Å; K50-L53 PolarHBondContact O-N 2.87Å; K50-V54 PolarHBondContact O-N 3.3Å |
| 51 | F | 88.8 | Confident | 93.2 | Very high | 11 Ų | 11 | 46.1 Ų | 46.1 | 5% | 0.048 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -44 | -59.8 | -171.6 | -178 | -106.6 | 0 | 0 | 0 | 113.7 | S47 L53 V54 I55 L94 Q97 E106 Y156 | S47-F51 WeakPolarHBondContact O-CA 3.19Å; S47-F51 VanDerWaalsContact O-CB 3.28Å; S47-F51 WeakPolarHBondContact O-CB 3.35Å; S47-F51 PolarHBondContact O-N 2.95Å; F51-L53 PolarHBondContact O-N 2.72Å; F51-L53 VanDerWaalsContact O-N 3.17Å; F51-V54 PolarHBondContact O-N 2.66Å; F51-V54 VanDerWaalsContact O-N 3.12Å; F51-I55 HydrophobicContact CD1-CG1 4.47Å; F51-I55 HydrophobicContact CD2-CD1 4.49Å; F51-I55 HydrophobicContact CD2-CG1 3.78Å; F51-I55 HydrophobicContact CE1-CG1 4.24Å; F51-I55 HydrophobicContact CE2-CD1 4.01Å; F51-I55 HydrophobicContact CE2-CG1 3.53Å; F51-I55 HydrophobicContact CG-CG1 4.27Å; F51-I55 HydrophobicContact CZ-CD1 4.48Å; F51-I55 HydrophobicContact CZ-CG1 3.79Å; F51-I55 WeakPolarHBondContact O-CG1 3.33Å; F51-I55 PolarHBondContact O-N 3.34Å; F51-L94 HydrophobicContact CE2-CD2 4.04Å; F51-L94 HydrophobicContact CZ-CD2 3.81Å; F51-Q97 HydrophobicContact CD2-CG 3.6Å; F51-Q97 HydrophobicContact CE2-CB 4.45Å; F51-Q97 HydrophobicContact CE2-CG 3.88Å; F51-Q97 HydrophobicContact CG-CG 4.09Å; F51-E106 HydrophobicContact CD1-CG 4.18Å; F51-E106 WeakPolarHBondContact CD1-OE1 3.41Å; F51-E106 HydrophobicContact CE1-CG 4.46Å; F51-Y156 HydrophobicContact CE1-CE2 4.04Å; F51-Y156 AromaticContact CE1-CZ 3.87Å; F51-Y156 WeakPolarHBondContact CE1-OH 3.32Å; F51-Y156 AromaticContact CZ-CE2 3.95Å; F51-Y156 HydrophobicContact CZ-CE2 3.95Å |
| 52 | S | 88.5 | Confident | 93.2 | Very high | 39 Ų | 39 | 40.3 Ų | 40.3 | 27% | 0.273 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -54.2 | -37.3 | -179.7 | -176.3 | 0 | 0 | 0 | 0 | 113.1 | K50 S56 D105 L109 | K50-S52 PolarHBondContact O-N 2.91Å; S52-S56 WeakPolarHBondContact O-CB 3.24Å; S52-S56 PolarHBondContact O-N 2.86Å; S52-S56 VanDerWaalsContact O-N 3.1Å; S52-D105 PolarHBondContact OG-OD2 3.45Å; S52-L109 WeakPolarHBondContact O-CD2 3.25Å |
| 53 | L | 91.3 | Very high | 93.1 | Very high | 48 Ų | 48 | 41 Ų | 41 | 25% | 0.251 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -74.6 | -40.9 | 178.9 | -169 | 65.1 | 0 | 0 | 0 | 112.8 | N7 V10 Q11 K50 F51 G57 | N7-L53 HydrophobicContact CB-CD2 4.07Å; V10-L53 HydrophobicContact CB-CD2 3.89Å; V10-L53 HydrophobicContact CG1-CD2 3.86Å; V10-L53 HydrophobicContact CG1-CG 4.18Å; Q11-L53 VanDerWaalsContact NE2-CD1 3.34Å; K50-L53 HydrophobicContact CB-CB 4.43Å; K50-L53 WeakPolarHBondContact O-CB 3.43Å; K50-L53 PolarHBondContact O-N 2.87Å; F51-L53 PolarHBondContact O-N 2.72Å; F51-L53 VanDerWaalsContact O-N 3.17Å; L53-G57 PolarHBondContact O-N 3.46Å; L53-G57 VanDerWaalsContact O-N 3.15Å |
| 54 | V | 94.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.5 | -48.3 | 179.6 | 176.4 | 0 | 0 | 0 | 0 | 111 | V10 L43 V46 K50 F51 S56 G57 L58 | V10-V54 HydrophobicContact CG1-CG2 3.95Å; L43-V54 HydrophobicContact CD2-CG1 4.23Å; V46-V54 HydrophobicContact CB-CG2 4.49Å; V46-V54 HydrophobicContact CG1-CG2 3.76Å; K50-V54 PolarHBondContact O-N 3.3Å; F51-V54 PolarHBondContact O-N 2.66Å; F51-V54 VanDerWaalsContact O-N 3.12Å; V54-S56 VanDerWaalsContact C-N 3.32Å; V54-S56 PolarHBondContact O-N 3.22Å; V54-G57 WeakPolarHBondContact O-CA 3.19Å; V54-G57 PolarHBondContact O-N 3.1Å; V54-G57 VanDerWaalsContact O-N 3.09Å; V54-L58 HydrophobicContact CG1-CD1 3.94Å; V54-L58 HydrophobicContact CG1-CG 4.39Å; V54-L58 WeakPolarHBondContact O-CG 3.42Å; V54-L58 PolarHBondContact O-N 3.38Å |
| 55 | I | 93.3 | Very high | 92.6 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.7 | -36.7 | 178.7 | -62.2 | -62.4 | 0 | 0 | 0 | 110.9 | F51 G57 L58 T59 L90 C93 L109 L113 | F51-I55 HydrophobicContact CD1-CG1 4.47Å; F51-I55 HydrophobicContact CD2-CD1 4.49Å; F51-I55 HydrophobicContact CD2-CG1 3.78Å; F51-I55 HydrophobicContact CE1-CG1 4.24Å; F51-I55 HydrophobicContact CE2-CD1 4.01Å; F51-I55 HydrophobicContact CE2-CG1 3.53Å; F51-I55 HydrophobicContact CG-CG1 4.27Å; F51-I55 HydrophobicContact CZ-CD1 4.48Å; F51-I55 HydrophobicContact CZ-CG1 3.79Å; F51-I55 WeakPolarHBondContact O-CG1 3.33Å; F51-I55 PolarHBondContact O-N 3.34Å; I55-G57 VanDerWaalsContact C-N 3.33Å; I55-G57 PolarHBondContact O-N 2.89Å; I55-L58 PolarHBondContact O-N 3.36Å; I55-T59 WeakPolarHBondContact O-CB 3.48Å; I55-T59 PolarHBondContact O-N 2.94Å; I55-T59 PolarHBondContact O-OG1 2.89Å; I55-L90 HydrophobicContact CD1-CD1 4.39Å; I55-L90 HydrophobicContact CD1-CG 4.14Å; I55-C93 HydrophobicContact CD1-CB 3.85Å; I55-L109 HydrophobicContact CB-CD2 3.77Å; I55-L109 HydrophobicContact CG2-CD2 3.76Å; I55-L109 HydrophobicContact CG2-CG 4.06Å; I55-L113 HydrophobicContact CG2-CD2 4.03Å |
| 56 | S | 93.7 | Very high | 92.1 | Very high | 34 Ų | 34 | 41.2 Ų | 41.2 | 24% | 0.238 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.1 | -40.8 | 171.3 | -170.4 | 0 | 0 | 0 | 0 | 112.4 | S52 V54 K60 | S52-S56 WeakPolarHBondContact O-CB 3.24Å; S52-S56 PolarHBondContact O-N 2.86Å; S52-S56 VanDerWaalsContact O-N 3.1Å; V54-S56 VanDerWaalsContact C-N 3.32Å; V54-S56 PolarHBondContact O-N 3.22Å; S56-K60 VanDerWaalsContact O-CG 3.3Å; S56-K60 WeakPolarHBondContact O-CG 3.45Å; S56-K60 PolarHBondContact O-N 2.99Å; S56-K60 VanDerWaalsContact O-N 3.09Å |
| 57 | G | 95.8 | Very high | 91.6 | Very high | 12 Ų | 12 | 44 Ų | 44 | 12% | 0.124 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.2 | -48.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L53 V54 I55 K60 M61 | L53-G57 PolarHBondContact O-N 3.46Å; L53-G57 VanDerWaalsContact O-N 3.15Å; V54-G57 WeakPolarHBondContact O-CA 3.19Å; V54-G57 PolarHBondContact O-N 3.1Å; V54-G57 VanDerWaalsContact O-N 3.09Å; I55-G57 VanDerWaalsContact C-N 3.33Å; I55-G57 PolarHBondContact O-N 2.89Å; G57-K60 PolarHBondContact O-N 3.15Å; G57-M61 PolarHBondContact O-N 2.92Å |
| 58 | L | 96.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.1 | -37 | 179.5 | -65.6 | 172.2 | 0 | 0 | 0 | 112.4 | L14 F17 V54 I55 K60 M61 L62 V86 T89 L90 | L14-L58 HydrophobicContact CD2-CD2 4.48Å; L14-L58 HydrophobicContact CD2-CG 4.45Å; F17-L58 HydrophobicContact CD1-CD2 4.22Å; F17-L58 HydrophobicContact CE1-CD2 4.02Å; V54-L58 HydrophobicContact CG1-CD1 3.94Å; V54-L58 HydrophobicContact CG1-CG 4.39Å; V54-L58 WeakPolarHBondContact O-CG 3.42Å; V54-L58 PolarHBondContact O-N 3.38Å; I55-L58 PolarHBondContact O-N 3.36Å; L58-K60 PolarHBondContact O-N 2.83Å; L58-M61 HydrophobicContact CD2-CE 4.35Å; L58-M61 VanDerWaalsContact O-CB 3.28Å; L58-M61 WeakPolarHBondContact O-CB 3.36Å; L58-M61 PolarHBondContact O-N 2.86Å; L58-M61 VanDerWaalsContact O-N 3.09Å; L58-L62 PolarHBondContact O-N 2.93Å; L58-V86 HydrophobicContact CD2-CG1 4.34Å; L58-T89 HydrophobicContact CD1-CG2 4.09Å; L58-T89 HydrophobicContact CD2-CG2 4.23Å; L58-L90 HydrophobicContact CB-CD1 3.82Å; L58-L90 HydrophobicContact CD1-CB 4.19Å; L58-L90 HydrophobicContact CD1-CD1 4.43Å |
| 59 | T | 95.7 | Very high | 90.9 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 173.8 | -53.3 | 0 | 0 | 0 | 0 | 110.9 | I55 M61 L62 Q63 E116 | I55-T59 WeakPolarHBondContact O-CB 3.48Å; I55-T59 PolarHBondContact O-N 2.94Å; I55-T59 PolarHBondContact O-OG1 2.89Å; T59-M61 VanDerWaalsContact C-N 3.26Å; T59-M61 PolarHBondContact O-N 2.84Å; T59-L62 PolarHBondContact O-N 3.43Å; T59-Q63 WeakPolarHBondContact O-CG 3.45Å; T59-Q63 PolarHBondContact O-N 3.14Å; T59-E116 HydrophobicContact CG2-CB 4.49Å; T59-E116 HydrophobicContact CG2-CG 3.79Å |
| 60 | K | 95.7 | Very high | 90.7 | Very high | 114 Ų | 114 | 41 Ų | 41 | 50% | 0.496 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.2 | -30.2 | 172.7 | -73.2 | 172.2 | -178.4 | 178.5 | 0 | 112.9 | S56 G57 L58 Q63 N64 | S56-K60 VanDerWaalsContact O-CG 3.3Å; S56-K60 WeakPolarHBondContact O-CG 3.45Å; S56-K60 PolarHBondContact O-N 2.99Å; S56-K60 VanDerWaalsContact O-N 3.09Å; G57-K60 PolarHBondContact O-N 3.15Å; L58-K60 PolarHBondContact O-N 2.83Å; K60-Q63 WeakPolarHBondContact O-CB 3.22Å; K60-Q63 PolarHBondContact O-N 3.19Å; K60-N64 WeakPolarHBondContact O-CB 3.43Å; K60-N64 PolarHBondContact O-N 2.91Å; K60-N64 PolarHBondContact O-ND2 2.77Å; K60-N64 PolarHBondContact O-OD1 2.9Å |
| 61 | M | 95.7 | Very high | 90.3 | Very high | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.7 | -45.8 | 176.1 | -153.8 | 169.2 | -59.5 | 0 | 0 | 111.2 | F17 D18 L21 G57 L58 T59 Q63 N64 I65 V86 | F17-M61 HydrophobicContact CD1-CE 3.85Å; F17-M61 HydrophobicContact CD1-SD 3.65Å; F17-M61 HydrophobicContact CE1-SD 4.13Å; D18-M61 HydrophobicContact CB-CE 3.69Å; D18-M61 HydrophobicContact CB-CG 4.33Å; D18-M61 HydrophobicContact CB-SD 4.02Å; L21-M61 HydrophobicContact CD1-CG 3.89Å; L21-M61 HydrophobicContact CD1-SD 3.85Å; G57-M61 PolarHBondContact O-N 2.92Å; L58-M61 HydrophobicContact CD2-CE 4.35Å; L58-M61 VanDerWaalsContact O-CB 3.28Å; L58-M61 WeakPolarHBondContact O-CB 3.36Å; L58-M61 PolarHBondContact O-N 2.86Å; L58-M61 VanDerWaalsContact O-N 3.09Å; T59-M61 VanDerWaalsContact C-N 3.26Å; T59-M61 PolarHBondContact O-N 2.84Å; M61-Q63 VanDerWaalsContact C-N 3.28Å; M61-Q63 PolarHBondContact O-N 3.23Å; M61-N64 PolarHBondContact O-N 2.65Å; M61-I65 HydrophobicContact CG-CD1 4.36Å; M61-I65 WeakPolarHBondContact O-CD1 3.41Å; M61-I65 VanDerWaalsContact O-CG1 3.22Å; M61-I65 WeakPolarHBondContact O-CG1 3.47Å; M61-I65 PolarHBondContact O-N 3.46Å; M61-V86 HydrophobicContact CB-CG1 4.38Å; M61-V86 HydrophobicContact CG-CG2 4.1Å; M61-V86 HydrophobicContact SD-CG2 3.77Å |
| 62 | L | 95.3 | Very high | 90 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.2 | -41.9 | 170.1 | -64.4 | 175 | 0 | 0 | 0 | 111.4 | L58 T59 N64 I65 D66 L83 V86 L87 | L58-L62 PolarHBondContact O-N 2.93Å; T59-L62 PolarHBondContact O-N 3.43Å; L62-N64 PolarHBondContact O-N 3.16Å; L62-I65 PolarHBondContact O-N 3.41Å; L62-D66 PolarHBondContact O-N 2.94Å; L62-L83 HydrophobicContact CD2-CD2 3.91Å; L62-V86 HydrophobicContact CD2-CB 4.07Å; L62-V86 HydrophobicContact CD2-CG1 3.6Å; L62-V86 HydrophobicContact CG-CG1 3.81Å; L62-L87 HydrophobicContact CD1-CD2 4.13Å; L62-L87 HydrophobicContact CD2-CD2 4.22Å; L62-L87 HydrophobicContact CD2-CG 4.3Å |
| 63 | Q | 93.7 | Very high | 89.6 | Confident | 71 Ų | 71 | 50 Ų | 50 | 33% | 0.332 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 176.2 | -74.7 | 173.2 | -25.2 | 0 | 0 | 113.1 | T59 K60 M61 E116 | T59-Q63 WeakPolarHBondContact O-CG 3.45Å; T59-Q63 PolarHBondContact O-N 3.14Å; K60-Q63 WeakPolarHBondContact O-CB 3.22Å; K60-Q63 PolarHBondContact O-N 3.19Å; M61-Q63 VanDerWaalsContact C-N 3.28Å; M61-Q63 PolarHBondContact O-N 3.23Å; Q63-E116 HydrophobicContact CG-CG 3.84Å; Q63-E116 VanDerWaalsContact CG-OE1 3.25Å; Q63-E116 WeakPolarHBondContact CG-OE1 3.25Å; Q63-E116 PolarHBondContact NE2-OE1 3.4Å |
| 64 | N | 92.1 | Very high | 89.2 | Confident | 69 Ų | 69 | 53.2 Ų | 53.2 | 37% | 0.369 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 177.1 | -68.7 | -15.4 | 0 | 0 | 0 | 111.6 | K60 M61 L62 D66 S67 M68 | K60-N64 WeakPolarHBondContact O-CB 3.43Å; K60-N64 PolarHBondContact O-N 2.91Å; K60-N64 PolarHBondContact O-ND2 2.77Å; K60-N64 PolarHBondContact O-OD1 2.9Å; M61-N64 PolarHBondContact O-N 2.65Å; L62-N64 PolarHBondContact O-N 3.16Å; N64-D66 PolarHBondContact O-N 2.78Å; N64-S67 PolarHBondContact O-N 2.97Å; N64-S67 VanDerWaalsContact O-N 3.16Å; N64-S67 PolarHBondContact O-OG 3.36Å; N64-M68 WeakPolarHBondContact O-CG 3.05Å |
| 65 | I | 89.5 | Confident | 88.8 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59 | -49.2 | -176.7 | -69.3 | 161.1 | 0 | 0 | 0 | 111.1 | L21 M61 L62 S67 M68 F79 L83 V86 | L21-I65 HydrophobicContact CD1-CD1 3.8Å; L21-I65 HydrophobicContact CD1-CG1 4.22Å; M61-I65 HydrophobicContact CG-CD1 4.36Å; M61-I65 WeakPolarHBondContact O-CD1 3.41Å; M61-I65 VanDerWaalsContact O-CG1 3.22Å; M61-I65 WeakPolarHBondContact O-CG1 3.47Å; M61-I65 PolarHBondContact O-N 3.46Å; L62-I65 PolarHBondContact O-N 3.41Å; I65-S67 PolarHBondContact O-N 3.2Å; I65-S67 VanDerWaalsContact O-N 3.16Å; I65-M68 WeakPolarHBondContact O-CB 3.28Å; I65-M68 WeakPolarHBondContact O-CG 3.44Å; I65-M68 PolarHBondContact O-N 3.23Å; I65-F79 HydrophobicContact CG2-CD2 3.77Å; I65-F79 HydrophobicContact CG2-CE2 3.45Å; I65-F79 VanDerWaalsContact CG2-CE2 3.45Å; I65-F79 HydrophobicContact CG2-CZ 4.15Å; I65-F79 WeakPolarHBondContact O-CE2 3.45Å; I65-L83 HydrophobicContact CB-CD2 4.38Å; I65-L83 HydrophobicContact CD1-CD2 4.45Å; I65-L83 HydrophobicContact CG2-CD2 3.71Å; I65-L83 HydrophobicContact CG2-CG 4.02Å; I65-V86 HydrophobicContact CD1-CG2 3.95Å |
| 66 | D | 83 | Confident | 88.5 | Confident | 37 Ų | 37 | 55.4 Ų | 55.4 | 20% | 0.198 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.2 | -26.1 | -180 | -164.4 | 118.5 | 0 | 0 | 0 | 112.7 | L62 N64 M68 R119 L123 | L62-D66 PolarHBondContact O-N 2.94Å; N64-D66 PolarHBondContact O-N 2.78Å; D66-M68 VanDerWaalsContact C-N 3.34Å; D66-R119 IonicContact OD1-CZ 3.6Å; D66-R119 IonicContact OD1-NE 2.75Å; D66-R119 IonicContact OD1-NH1 3.84Å; D66-R119 IonicContact OD2-CZ 2.9Å; D66-R119 IonicContact OD2-NE 2.62Å; D66-R119 IonicContact OD2-NH1 2.82Å; D66-R119 PolarHBondContact OD2-NH1 3.15Å; D66-L123 HydrophobicContact CB-CD2 4.47Å; D66-L123 VanDerWaalsContact OD1-CD2 3.27Å; D66-L123 WeakPolarHBondContact OD1-CD2 3.49Å |
| 67 | S | 84.5 | Confident | 88.1 | Confident | 92 Ų | 92 | 60.4 Ų | 60.4 | 64% | 0.643 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -5.6 | 175.6 | 76.1 | 0 | 0 | 0 | 0 | 115 | N64 I65 | N64-S67 PolarHBondContact O-N 2.97Å; N64-S67 VanDerWaalsContact O-N 3.16Å; N64-S67 PolarHBondContact O-OG 3.36Å; I65-S67 PolarHBondContact O-N 3.2Å; I65-S67 VanDerWaalsContact O-N 3.16Å |
| 68 | M | 83.6 | Confident | 87.8 | Confident | 59 Ų | 59 | 61.2 Ų | 61.2 | 29% | 0.291 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -82 | 134.1 | -179.1 | -55.5 | -174.2 | 94.7 | 0 | 0 | 110.8 | I23 R24 N64 I65 D66 V70 | I23-M68 HydrophobicContact CB-SD 4.43Å; I23-M68 HydrophobicContact CG1-CE 4.45Å; I23-M68 HydrophobicContact CG1-SD 3.77Å; I23-M68 HydrophobicContact CG2-SD 3.75Å; R24-M68 HydrophobicContact CG-CE 4.35Å; N64-M68 WeakPolarHBondContact O-CG 3.05Å; I65-M68 WeakPolarHBondContact O-CB 3.28Å; I65-M68 WeakPolarHBondContact O-CG 3.44Å; I65-M68 PolarHBondContact O-N 3.23Å; D66-M68 VanDerWaalsContact C-N 3.34Å; M68-V70 PolarHBondContact O-N 3.48Å |
| 69 | Q | 82.1 | Confident | 87.6 | Confident | 155 Ų | 155 | 61.4 Ų | 61.4 | 72% | 0.724 | 32% | 0.319 | S | S | * | . | trans | -75.7 | 126.5 | 174.3 | -67.9 | -177.3 | -16.4 | 0 | 0 | 110.6 | Y71 | Q69-Y71 HydrophobicContact CB-CD2 4.31Å; Q69-Y71 HydrophobicContact CB-CE2 3.67Å; Q69-Y71 HydrophobicContact CG-CE2 4.44Å | ||
| 70 | V | 82.9 | Confident | 87.3 | Confident | 31 Ų | 31 | 61.1 Ų | 61.1 | 19% | 0.188 | 32% | 0.317 | C | S | . | . | trans | -110.2 | 119.1 | -176.3 | 178.8 | 0 | 0 | 0 | 0 | 109.1 | M68 A75 E76 F79 | M68-V70 PolarHBondContact O-N 3.48Å; V70-A75 HydrophobicContact CG1-CB 3.99Å; V70-E76 HydrophobicContact CG1-CB 4.07Å; V70-F79 HydrophobicContact CG1-CB 4.44Å; V70-F79 HydrophobicContact CG2-CB 3.93Å; V70-F79 HydrophobicContact CG2-CD2 3.54Å; V70-F79 HydrophobicContact CG2-CE2 4.19Å; V70-F79 HydrophobicContact CG2-CG 3.78Å | ||
| 71 | Y | 81 | Confident | 87 | Confident | 176 Ų | 176 | 58 Ų | 58 | 69% | 0.69 | 31% | 0.306 | S | S | * | . | trans | -134.5 | 119.2 | 179.8 | -63 | -62.2 | 0 | 0 | 0 | 111.3 | Q69 A75 | Q69-Y71 HydrophobicContact CB-CD2 4.31Å; Q69-Y71 HydrophobicContact CB-CE2 3.67Å; Q69-Y71 HydrophobicContact CG-CE2 4.44Å; Y71-A75 VanDerWaalsContact O-CB 3.29Å; Y71-A75 WeakPolarHBondContact O-CB 3.28Å | ||
| 72 | G | 82.5 | Confident | 86.9 | Confident | 46 Ų | 46 | 57.8 Ų | 57.8 | 47% | 0.474 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 89.1 | 160.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D74 A75 E76 | G72-D74 PolarHBondContact O-N 3.4Å; G72-A75 WeakPolarHBondContact O-CB 3.49Å; G72-A75 PolarHBondContact O-N 3.3Å; G72-A75 VanDerWaalsContact O-N 3.15Å; G72-E76 PolarHBondContact O-N 3.18Å |
| 73 | P | 80.5 | Confident | 86.9 | Confident | 90 Ų | 90 | 57.9 Ų | 57.9 | 58% | 0.584 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -66.4 | -35.5 | -168.7 | 25.9 | -35 | 0 | 0 | 0 | 113.4 | A75 E76 R77 | P73-A75 VanDerWaalsContact C-N 3.33Å; P73-A75 PolarHBondContact O-N 3.03Å; P73-E76 PolarHBondContact O-N 3.1Å; P73-R77 WeakPolarHBondContact O-CB 3.4Å; P73-R77 PolarHBondContact O-N 3.05Å |
| 74 | D | 83 | Confident | 86.9 | Confident | 116 Ų | 116 | 55.4 Ų | 55.4 | 62% | 0.62 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -67.2 | -35.1 | 176 | -63.2 | -58 | 0 | 0 | 0 | 111.8 | G72 N78 | G72-D74 PolarHBondContact O-N 3.4Å; D74-N78 VanDerWaalsContact O-CB 3.28Å; D74-N78 WeakPolarHBondContact O-CB 3.4Å; D74-N78 PolarHBondContact O-N 3Å; D74-N78 PolarHBondContact O-ND2 3.48Å |
| 75 | A | 85.9 | Confident | 87 | Confident | 26 Ų | 26 | 53.4 Ų | 53.4 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.7 | -42.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V70 Y71 G72 P73 N78 F79 | V70-A75 HydrophobicContact CG1-CB 3.99Å; Y71-A75 VanDerWaalsContact O-CB 3.29Å; Y71-A75 WeakPolarHBondContact O-CB 3.28Å; G72-A75 WeakPolarHBondContact O-CB 3.49Å; G72-A75 PolarHBondContact O-N 3.3Å; G72-A75 VanDerWaalsContact O-N 3.15Å; P73-A75 VanDerWaalsContact C-N 3.33Å; P73-A75 PolarHBondContact O-N 3.03Å; A75-N78 PolarHBondContact O-N 3.05Å; A75-F79 WeakPolarHBondContact O-CB 3.48Å; A75-F79 PolarHBondContact O-N 3.28Å |
| 76 | E | 86 | Confident | 87.4 | Confident | 23 Ų | 23 | 53.3 Ų | 53.3 | 11% | 0.107 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 176.3 | -175.4 | 178.6 | -100.3 | 0 | 0 | 111.8 | V70 G72 P73 F79 C80 F127 N134 Y138 | V70-E76 HydrophobicContact CG1-CB 4.07Å; G72-E76 PolarHBondContact O-N 3.18Å; P73-E76 PolarHBondContact O-N 3.1Å; E76-F79 WeakPolarHBondContact O-CB 3.49Å; E76-F79 PolarHBondContact O-N 2.77Å; E76-C80 WeakPolarHBondContact O-CB 3.39Å; E76-C80 PolarHBondContact O-N 2.81Å; E76-C80 PolarHBondContact O-SG 2.99Å; E76-F127 HydrophobicContact CG-CD1 4.47Å; E76-F127 HydrophobicContact CG-CE1 4.5Å; E76-N134 PolarHBondContact OE2-ND2 2.95Å; E76-Y138 PolarHBondContact OE1-OH 3.29Å; E76-Y138 PolarHBondContact OE2-OH 3.11Å; E76-Y138 VanDerWaalsContact OE2-OH 3.13Å |
| 77 | R | 86 | Confident | 88 | Confident | 140 Ų | 140 | 51.6 Ų | 51.6 | 53% | 0.528 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.9 | -52.9 | 172.5 | 178.4 | 175.1 | -178.7 | 168.9 | 4.9 | 112.1 | P73 F79 C80 D81 M137 | P73-R77 WeakPolarHBondContact O-CB 3.4Å; P73-R77 PolarHBondContact O-N 3.05Å; R77-F79 PolarHBondContact O-N 2.7Å; R77-C80 PolarHBondContact O-N 3.13Å; R77-C80 VanDerWaalsContact O-N 3.14Å; R77-D81 WeakPolarHBondContact CG-OD2 3.37Å; R77-D81 IonicContact NE-OD2 3.37Å; R77-D81 WeakPolarHBondContact O-CB 3.44Å; R77-D81 PolarHBondContact O-N 2.85Å; R77-M137 HydrophobicContact CB-CE 4.49Å; R77-M137 HydrophobicContact CG-CE 4.12Å |
| 78 | N | 89.6 | Confident | 88.6 | Confident | 29 Ų | 29 | 48.7 Ų | 48.7 | 16% | 0.155 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.5 | -34.3 | -179.8 | -75.5 | -40.3 | 0 | 0 | 0 | 112 | P22 D74 A75 S82 | P22-N78 HydrophobicContact CB-CB 4.08Å; D74-N78 VanDerWaalsContact O-CB 3.28Å; D74-N78 WeakPolarHBondContact O-CB 3.4Å; D74-N78 PolarHBondContact O-N 3Å; D74-N78 PolarHBondContact O-ND2 3.48Å; A75-N78 PolarHBondContact O-N 3.05Å; N78-S82 WeakPolarHBondContact O-CB 3.49Å; N78-S82 PolarHBondContact O-N 2.99Å; N78-S82 PolarHBondContact O-OG 2.77Å |
| 79 | F | 90.7 | Very high | 89.3 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 1% | 0.013 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.5 | -50.8 | 172.9 | 173.9 | -92.8 | 0 | 0 | 0 | 111.5 | I23 I65 V70 A75 E76 R77 S82 L83 L123 F127 | I23-F79 HydrophobicContact CD1-CB 3.96Å; I23-F79 HydrophobicContact CG1-CB 4.48Å; I65-F79 HydrophobicContact CG2-CD2 3.77Å; I65-F79 HydrophobicContact CG2-CE2 3.45Å; I65-F79 VanDerWaalsContact CG2-CE2 3.45Å; I65-F79 HydrophobicContact CG2-CZ 4.15Å; I65-F79 WeakPolarHBondContact O-CE2 3.45Å; V70-F79 HydrophobicContact CG1-CB 4.44Å; V70-F79 HydrophobicContact CG2-CB 3.93Å; V70-F79 HydrophobicContact CG2-CD2 3.54Å; V70-F79 HydrophobicContact CG2-CE2 4.19Å; V70-F79 HydrophobicContact CG2-CG 3.78Å; A75-F79 WeakPolarHBondContact O-CB 3.48Å; A75-F79 PolarHBondContact O-N 3.28Å; E76-F79 WeakPolarHBondContact O-CB 3.49Å; E76-F79 PolarHBondContact O-N 2.77Å; R77-F79 PolarHBondContact O-N 2.7Å; F79-S82 WeakPolarHBondContact O-CB 3.41Å; F79-S82 PolarHBondContact O-N 3.38Å; F79-L83 HydrophobicContact CD1-CD1 4.11Å; F79-L83 HydrophobicContact CE1-CD1 3.42Å; F79-L83 VanDerWaalsContact CE1-CD1 3.42Å; F79-L83 HydrophobicContact CE1-CG 4.25Å; F79-L83 HydrophobicContact CZ-CD1 3.76Å; F79-L83 HydrophobicContact CZ-CG 4.33Å; F79-L83 PolarHBondContact O-N 3.05Å; F79-L123 HydrophobicContact CE1-CD2 4.31Å; F79-L123 HydrophobicContact CZ-CD2 3.67Å; F79-F127 HydrophobicContact CD1-CE2 4.35Å; F79-F127 HydrophobicContact CE1-CD2 4.42Å; F79-F127 AromaticContact CE1-CE2 3.8Å; F79-F127 HydrophobicContact CE1-CE2 3.8Å; F79-F127 HydrophobicContact CE1-CZ 4.47Å; F79-F127 HydrophobicContact CZ-CE2 4.32Å |
| 80 | C | 89.9 | Confident | 89.9 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.4 | -44.6 | 179.6 | -68.5 | 0 | 0 | 0 | 0 | 112.7 | E76 R77 S82 L83 L84 M137 L141 | E76-C80 WeakPolarHBondContact O-CB 3.39Å; E76-C80 PolarHBondContact O-N 2.81Å; E76-C80 PolarHBondContact O-SG 2.99Å; R77-C80 PolarHBondContact O-N 3.13Å; R77-C80 VanDerWaalsContact O-N 3.14Å; C80-S82 PolarHBondContact O-N 2.75Å; C80-L83 PolarHBondContact O-N 3.42Å; C80-L84 WeakPolarHBondContact O-CB 3.42Å; C80-L84 PolarHBondContact O-N 3.06Å; C80-M137 HydrophobicContact CB-CG 3.97Å; C80-M137 HydrophobicContact CB-SD 3.26Å; C80-M137 WeakPolarHBondContact CB-SD 3.42Å; C80-L141 HydrophobicContact CB-CD1 3.86Å |
| 81 | D | 90.3 | Very high | 90.5 | Very high | 49 Ų | 49 | 39 Ų | 39 | 26% | 0.262 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.8 | -35.3 | 175 | -73.1 | -23.6 | 0 | 0 | 0 | 110.7 | P22 R77 L84 I85 | P22-D81 HydrophobicContact CB-CB 4.48Å; P22-D81 HydrophobicContact CG-CB 4.18Å; R77-D81 WeakPolarHBondContact CG-OD2 3.37Å; R77-D81 IonicContact NE-OD2 3.37Å; R77-D81 WeakPolarHBondContact O-CB 3.44Å; R77-D81 PolarHBondContact O-N 2.85Å; D81-L84 PolarHBondContact O-N 3.37Å; D81-I85 WeakPolarHBondContact O-CD1 3.1Å; D81-I85 VanDerWaalsContact O-CG1 3.29Å; D81-I85 WeakPolarHBondContact O-CG1 3.21Å; D81-I85 PolarHBondContact O-N 2.82Å; D81-I85 VanDerWaalsContact O-N 3.08Å |
| 82 | S | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.5 | -45.3 | 174.7 | -58.2 | 0 | 0 | 0 | 0 | 113 | P22 I23 N78 F79 C80 L84 I85 V86 | P22-S82 VanDerWaalsContact CD-OG 3.31Å; P22-S82 WeakPolarHBondContact CD-OG 3.26Å; I23-S82 WeakPolarHBondContact CB-OG 3.39Å; I23-S82 WeakPolarHBondContact CG2-OG 3.42Å; I23-S82 PolarHBondContact N-OG 2.81Å; N78-S82 WeakPolarHBondContact O-CB 3.49Å; N78-S82 PolarHBondContact O-N 2.99Å; N78-S82 PolarHBondContact O-OG 2.77Å; F79-S82 WeakPolarHBondContact O-CB 3.41Å; F79-S82 PolarHBondContact O-N 3.38Å; C80-S82 PolarHBondContact O-N 2.75Å; S82-L84 VanDerWaalsContact C-N 3.28Å; S82-L84 PolarHBondContact O-N 3.4Å; S82-I85 PolarHBondContact O-N 3.34Å; S82-V86 WeakPolarHBondContact O-CG2 3.47Å; S82-V86 PolarHBondContact O-N 3.5Å; S82-V86 VanDerWaalsContact O-N 3.13Å |
| 83 | L | 94.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.7 | -42.6 | 173.8 | -75.3 | 177.5 | 0 | 0 | 0 | 111.2 | L62 I65 F79 C80 V86 L87 V120 V124 L141 | L62-L83 HydrophobicContact CD2-CD2 3.91Å; I65-L83 HydrophobicContact CB-CD2 4.38Å; I65-L83 HydrophobicContact CD1-CD2 4.45Å; I65-L83 HydrophobicContact CG2-CD2 3.71Å; I65-L83 HydrophobicContact CG2-CG 4.02Å; F79-L83 HydrophobicContact CD1-CD1 4.11Å; F79-L83 HydrophobicContact CE1-CD1 3.42Å; F79-L83 VanDerWaalsContact CE1-CD1 3.42Å; F79-L83 HydrophobicContact CE1-CG 4.25Å; F79-L83 HydrophobicContact CZ-CD1 3.76Å; F79-L83 HydrophobicContact CZ-CG 4.33Å; F79-L83 PolarHBondContact O-N 3.05Å; C80-L83 PolarHBondContact O-N 3.42Å; L83-V86 PolarHBondContact O-N 3.44Å; L83-L87 WeakPolarHBondContact O-CB 3.32Å; L83-L87 VanDerWaalsContact O-CG 3.24Å; L83-L87 WeakPolarHBondContact O-CG 3.37Å; L83-L87 PolarHBondContact O-N 2.89Å; L83-V120 HydrophobicContact CD1-CG1 4.15Å; L83-V120 HydrophobicContact CD2-CG1 4.2Å; L83-V120 HydrophobicContact CD2-CG2 4.36Å; L83-V124 HydrophobicContact CD1-CG2 4.44Å; L83-L141 HydrophobicContact CB-CD2 3.8Å |
| 84 | L | 94.1 | Very high | 92.2 | Very high | 18 Ų | 18 | 27.7 Ų | 27.7 | 9% | 0.094 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.7 | -46.1 | -178.7 | -159.8 | 157.7 | 0 | 0 | 0 | 111.2 | C80 D81 S82 V86 L87 E88 Q140 L141 L144 | C80-L84 WeakPolarHBondContact O-CB 3.42Å; C80-L84 PolarHBondContact O-N 3.06Å; D81-L84 PolarHBondContact O-N 3.37Å; S82-L84 VanDerWaalsContact C-N 3.28Å; S82-L84 PolarHBondContact O-N 3.4Å; L84-V86 PolarHBondContact O-N 2.95Å; L84-L87 PolarHBondContact O-N 3.37Å; L84-E88 HydrophobicContact CD2-CG 4.21Å; L84-E88 WeakPolarHBondContact O-CB 3.46Å; L84-E88 PolarHBondContact O-N 2.91Å; L84-Q140 HydrophobicContact CD1-CG 4.15Å; L84-L141 HydrophobicContact CB-CD2 3.91Å; L84-L141 HydrophobicContact CG-CD2 4.4Å; L84-L144 HydrophobicContact CD2-CD2 4.41Å; L84-L144 HydrophobicContact CG-CD2 4.06Å |
| 85 | I | 94.6 | Very high | 92.6 | Very high | 27 Ų | 27 | 26.5 Ų | 26.5 | 14% | 0.138 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.8 | -46.4 | 174.7 | -70.7 | 164.2 | 0 | 0 | 0 | 111.8 | F17 L21 P22 M36 D81 S82 T89 | F17-I85 HydrophobicContact CE1-CG2 4.39Å; F17-I85 HydrophobicContact CE2-CG2 4.3Å; F17-I85 HydrophobicContact CZ-CG2 3.67Å; L21-I85 HydrophobicContact CD2-CB 4.41Å; L21-I85 HydrophobicContact CD2-CG2 4.06Å; P22-I85 HydrophobicContact CG-CD1 3.96Å; M36-I85 HydrophobicContact CE-CG2 4.49Å; M36-I85 HydrophobicContact CG-CG2 4.34Å; M36-I85 HydrophobicContact SD-CG2 4.02Å; D81-I85 WeakPolarHBondContact O-CD1 3.1Å; D81-I85 VanDerWaalsContact O-CG1 3.29Å; D81-I85 WeakPolarHBondContact O-CG1 3.21Å; D81-I85 PolarHBondContact O-N 2.82Å; D81-I85 VanDerWaalsContact O-N 3.08Å; S82-I85 PolarHBondContact O-N 3.34Å; I85-T89 WeakPolarHBondContact O-CB 3.31Å; I85-T89 PolarHBondContact O-N 3.48Å; I85-T89 VanDerWaalsContact O-N 3.11Å; I85-T89 PolarHBondContact O-OG1 3.19Å |
| 86 | V | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.5 | -43 | -177.9 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | F17 L21 L58 M61 L62 I65 S82 L83 L84 T89 L90 | F17-V86 HydrophobicContact CE1-CG2 4.41Å; L21-V86 HydrophobicContact CD1-CG2 4.08Å; L21-V86 HydrophobicContact CD2-CG2 3.89Å; L58-V86 HydrophobicContact CD2-CG1 4.34Å; M61-V86 HydrophobicContact CB-CG1 4.38Å; M61-V86 HydrophobicContact CG-CG2 4.1Å; M61-V86 HydrophobicContact SD-CG2 3.77Å; L62-V86 HydrophobicContact CD2-CB 4.07Å; L62-V86 HydrophobicContact CD2-CG1 3.6Å; L62-V86 HydrophobicContact CG-CG1 3.81Å; I65-V86 HydrophobicContact CD1-CG2 3.95Å; S82-V86 WeakPolarHBondContact O-CG2 3.47Å; S82-V86 PolarHBondContact O-N 3.5Å; S82-V86 VanDerWaalsContact O-N 3.13Å; L83-V86 PolarHBondContact O-N 3.44Å; L84-V86 PolarHBondContact O-N 2.95Å; V86-T89 PolarHBondContact O-N 3.08Å; V86-L90 WeakPolarHBondContact O-CB 3.32Å; V86-L90 PolarHBondContact O-N 2.76Å |
| 87 | L | 97 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.4 | -40.7 | 178.8 | -69.6 | 169.3 | 0 | 0 | 0 | 112.3 | L62 L83 L84 T89 L90 E91 L117 V120 L141 L144 V145 V148 | L62-L87 HydrophobicContact CD1-CD2 4.13Å; L62-L87 HydrophobicContact CD2-CD2 4.22Å; L62-L87 HydrophobicContact CD2-CG 4.3Å; L83-L87 WeakPolarHBondContact O-CB 3.32Å; L83-L87 VanDerWaalsContact O-CG 3.24Å; L83-L87 WeakPolarHBondContact O-CG 3.37Å; L83-L87 PolarHBondContact O-N 2.89Å; L84-L87 PolarHBondContact O-N 3.37Å; L87-T89 VanDerWaalsContact C-N 3.3Å; L87-T89 PolarHBondContact O-N 3.27Å; L87-L90 PolarHBondContact O-N 2.59Å; L87-E91 WeakPolarHBondContact O-CB 3.26Å; L87-E91 PolarHBondContact O-N 2.77Å; L87-L117 HydrophobicContact CD2-CD2 3.7Å; L87-V120 HydrophobicContact CD1-CG1 4.3Å; L87-L141 HydrophobicContact CD1-CD2 4.12Å; L87-L144 HydrophobicContact CB-CD2 3.58Å; L87-L144 HydrophobicContact CB-CG 3.78Å; L87-L144 HydrophobicContact CD1-CD2 4.49Å; L87-V145 HydrophobicContact CD1-CG2 3.73Å; L87-V145 HydrophobicContact CD2-CG2 4.33Å; L87-V148 HydrophobicContact CD2-CG2 4.46Å |
| 88 | E | 96.9 | Very high | 91.6 | Very high | 31 Ų | 31 | 23 Ų | 23 | 15% | 0.145 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.2 | -41.1 | 171.6 | -87.2 | -162.9 | -161.4 | 0 | 0 | 112.1 | K40 L84 L90 K92 L144 | K40-E88 VanDerWaalsContact CE-OE2 3.31Å; K40-E88 WeakPolarHBondContact CE-OE2 3.49Å; K40-E88 IonicContact NZ-OE2 2.81Å; K40-E88 PolarHBondContact NZ-OE2 3.2Å; L84-E88 HydrophobicContact CD2-CG 4.21Å; L84-E88 WeakPolarHBondContact O-CB 3.46Å; L84-E88 PolarHBondContact O-N 2.91Å; E88-L90 VanDerWaalsContact C-N 3.27Å; E88-L90 PolarHBondContact O-N 3Å; E88-K92 WeakPolarHBondContact O-CB 3.39Å; E88-K92 VanDerWaalsContact O-CG 3.28Å; E88-K92 WeakPolarHBondContact O-CG 3.34Å; E88-K92 PolarHBondContact O-N 2.76Å; E88-K92 VanDerWaalsContact O-N 3.09Å; E88-K92 IonicContact OE2-NZ 2.7Å; E88-K92 PolarHBondContact OE2-NZ 2.95Å; E88-L144 HydrophobicContact CG-CD1 4.17Å; E88-L144 HydrophobicContact CG-CD2 3.98Å |
| 89 | T | 96.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.1 | -38.2 | 179.3 | -55.1 | 0 | 0 | 0 | 0 | 110.3 | F17 K40 L43 V44 L58 I85 V86 L87 C93 | F17-T89 HydrophobicContact CE1-CG2 4.31Å; F17-T89 HydrophobicContact CZ-CG2 4.11Å; F17-T89 WeakPolarHBondContact CZ-OG1 3.43Å; K40-T89 WeakPolarHBondContact CD-OG1 3.5Å; K40-T89 HydrophobicContact CG-CG2 4.26Å; K40-T89 WeakPolarHBondContact CG-OG1 3.26Å; L43-T89 HydrophobicContact CB-CG2 4.28Å; L43-T89 HydrophobicContact CD1-CG2 4.45Å; V44-T89 HydrophobicContact CG2-CG2 4.33Å; L58-T89 HydrophobicContact CD1-CG2 4.09Å; L58-T89 HydrophobicContact CD2-CG2 4.23Å; I85-T89 WeakPolarHBondContact O-CB 3.31Å; I85-T89 PolarHBondContact O-N 3.48Å; I85-T89 VanDerWaalsContact O-N 3.11Å; I85-T89 PolarHBondContact O-OG1 3.19Å; V86-T89 PolarHBondContact O-N 3.08Å; L87-T89 VanDerWaalsContact C-N 3.3Å; L87-T89 PolarHBondContact O-N 3.27Å; T89-C93 WeakPolarHBondContact O-CB 3.39Å; T89-C93 PolarHBondContact O-N 2.71Å; T89-C93 PolarHBondContact O-SG 3.5Å |
| 90 | L | 96 | Very high | 88.9 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -76.5 | -37.3 | -178.7 | -169.5 | 142.2 | 0 | 0 | 0 | 112.6 | I55 L58 V86 L87 E88 C93 L94 L113 V148 | I55-L90 HydrophobicContact CD1-CD1 4.39Å; I55-L90 HydrophobicContact CD1-CG 4.14Å; L58-L90 HydrophobicContact CB-CD1 3.82Å; L58-L90 HydrophobicContact CD1-CB 4.19Å; L58-L90 HydrophobicContact CD1-CD1 4.43Å; V86-L90 WeakPolarHBondContact O-CB 3.32Å; V86-L90 PolarHBondContact O-N 2.76Å; L87-L90 PolarHBondContact O-N 2.59Å; E88-L90 VanDerWaalsContact C-N 3.27Å; E88-L90 PolarHBondContact O-N 3Å; L90-C93 PolarHBondContact O-N 3.06Å; L90-L94 HydrophobicContact CD2-CD1 3.74Å; L90-L94 HydrophobicContact CD2-CG 4.47Å; L90-L94 WeakPolarHBondContact O-CG 3.26Å; L90-L94 PolarHBondContact O-N 3.4Å; L90-L94 VanDerWaalsContact O-N 3.09Å; L90-L113 HydrophobicContact CD1-CD1 3.63Å; L90-L113 HydrophobicContact CD1-CD2 4.35Å; L90-L113 HydrophobicContact CD2-CD1 3.92Å; L90-L113 HydrophobicContact CD2-CD2 3.97Å; L90-L113 HydrophobicContact CG-CD1 4.44Å; L90-V148 HydrophobicContact CD2-CB 4.48Å; L90-V148 HydrophobicContact CD2-CG1 3.35Å; L90-V148 HydrophobicContact CD2-CG2 4.25Å |
| 91 | E | 96.1 | Very high | 87.3 | Confident | 41 Ų | 41 | 38.5 Ų | 38.5 | 19% | 0.192 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -53.7 | -59 | 167 | -179.3 | -78.5 | 118.8 | 0 | 0 | 110 | L87 C93 L94 T95 V148 | L87-E91 WeakPolarHBondContact O-CB 3.26Å; L87-E91 PolarHBondContact O-N 2.77Å; E91-C93 PolarHBondContact O-N 3.19Å; E91-C93 VanDerWaalsContact O-N 3.15Å; E91-L94 PolarHBondContact O-N 3.05Å; E91-T95 PolarHBondContact O-N 2.84Å; E91-T95 PolarHBondContact O-OG1 3.46Å; E91-T95 VanDerWaalsContact OE1-CB 3.3Å; E91-T95 WeakPolarHBondContact OE1-CB 3.34Å; E91-T95 PolarHBondContact OE1-OG1 2.83Å; E91-V148 HydrophobicContact CB-CG2 3.87Å |
| 92 | K | 95.2 | Very high | 85.9 | Confident | 73 Ų | 73 | 40.5 Ų | 40.5 | 32% | 0.317 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.4 | -32.9 | -179.1 | -68 | 169.8 | -175.5 | 163.9 | 0 | 112.5 | V44 E88 C96 | V44-K92 HydrophobicContact CG1-CB 4.02Å; V44-K92 HydrophobicContact CG2-CB 3.64Å; E88-K92 WeakPolarHBondContact O-CB 3.39Å; E88-K92 VanDerWaalsContact O-CG 3.28Å; E88-K92 WeakPolarHBondContact O-CG 3.34Å; E88-K92 PolarHBondContact O-N 2.76Å; E88-K92 VanDerWaalsContact O-N 3.09Å; E88-K92 IonicContact OE2-NZ 2.7Å; E88-K92 PolarHBondContact OE2-NZ 2.95Å; K92-C96 WeakPolarHBondContact O-CB 3.39Å; K92-C96 PolarHBondContact O-N 3.42Å; K92-C96 VanDerWaalsContact O-N 3.15Å; K92-C96 PolarHBondContact O-SG 3.47Å |
| 93 | C | 93.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.3 | -35.3 | 174.6 | -74 | 0 | 0 | 0 | 0 | 113.8 | S47 I55 T89 L90 E91 | S47-C93 PolarHBondContact OG-SG 2.84Å; I55-C93 HydrophobicContact CD1-CB 3.85Å; T89-C93 WeakPolarHBondContact O-CB 3.39Å; T89-C93 PolarHBondContact O-N 2.71Å; T89-C93 PolarHBondContact O-SG 3.5Å; L90-C93 PolarHBondContact O-N 3.06Å; E91-C93 PolarHBondContact O-N 3.19Å; E91-C93 VanDerWaalsContact O-N 3.15Å |
| 94 | L | 91.2 | Very high | 82.9 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -73.8 | -48.9 | 175.7 | -68.6 | 165.3 | 0 | 0 | 0 | 110.5 | F51 L90 E91 C96 Q97 V148 A151 L152 | F51-L94 HydrophobicContact CE2-CD2 4.04Å; F51-L94 HydrophobicContact CZ-CD2 3.81Å; L90-L94 HydrophobicContact CD2-CD1 3.74Å; L90-L94 HydrophobicContact CD2-CG 4.47Å; L90-L94 WeakPolarHBondContact O-CG 3.26Å; L90-L94 PolarHBondContact O-N 3.4Å; L90-L94 VanDerWaalsContact O-N 3.09Å; E91-L94 PolarHBondContact O-N 3.05Å; L94-C96 PolarHBondContact O-N 3.26Å; L94-Q97 WeakPolarHBondContact O-CB 3.5Å; L94-Q97 PolarHBondContact O-N 3.12Å; L94-V148 HydrophobicContact CD1-CG1 3.96Å; L94-A151 HydrophobicContact CB-CB 3.82Å; L94-A151 HydrophobicContact CD1-CB 4.23Å; L94-L152 HydrophobicContact CD1-CB 4.1Å; L94-L152 HydrophobicContact CD1-CD1 4.2Å; L94-L152 HydrophobicContact CD2-CD1 3.78Å |
| 95 | T | 90.6 | Very high | 81.8 | Confident | 90 Ų | 90 | 59.3 Ų | 59.3 | 55% | 0.552 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.4 | -21 | -177.2 | -52.4 | 0 | 0 | 0 | 0 | 113.2 | E91 | E91-T95 PolarHBondContact O-N 2.84Å; E91-T95 PolarHBondContact O-OG1 3.46Å; E91-T95 VanDerWaalsContact OE1-CB 3.3Å; E91-T95 WeakPolarHBondContact OE1-CB 3.34Å; E91-T95 PolarHBondContact OE1-OG1 2.83Å |
| 96 | C | 86.1 | Confident | 80.9 | Confident | 39 Ų | 39 | 58.4 Ų | 58.4 | 26% | 0.264 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -0.4 | 176.8 | -72.6 | 0 | 0 | 0 | 0 | 115.8 | V44 R48 K92 L94 | V44-C96 HydrophobicContact CG1-CB 4.46Å; R48-C96 HydrophobicContact CG-CB 4.45Å; R48-C96 PolarHBondContact NH2-SG 3.49Å; K92-C96 WeakPolarHBondContact O-CB 3.39Å; K92-C96 PolarHBondContact O-N 3.42Å; K92-C96 VanDerWaalsContact O-N 3.15Å; K92-C96 PolarHBondContact O-SG 3.47Å; L94-C96 PolarHBondContact O-N 3.26Å |
| 97 | Q | 80.4 | Confident | 80 | Confident | 11 Ų | 11 | 60.9 Ų | 60.9 | 5% | 0.051 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -86.1 | 131.7 | -170.7 | -144.5 | -101 | 42 | 0 | 0 | 111.2 | F51 L94 T101 Q155 Y156 | F51-Q97 HydrophobicContact CD2-CG 3.6Å; F51-Q97 HydrophobicContact CE2-CB 4.45Å; F51-Q97 HydrophobicContact CE2-CG 3.88Å; F51-Q97 HydrophobicContact CG-CG 4.09Å; L94-Q97 WeakPolarHBondContact O-CB 3.5Å; L94-Q97 PolarHBondContact O-N 3.12Å; Q97-T101 PolarHBondContact OE1-OG1 2.96Å; Q97-Q155 PolarHBondContact O-NE2 3.17Å; Q97-Y156 PolarHBondContact NE2-OH 3.06Å |
| 98 | P | 70.4 | Confident | 79.3 | Confident | 65 Ų | 65 | 66.1 Ų | 66.1 | 42% | 0.422 | 35% | 0.348 | S | S | . | . | trans | -75.9 | 136.1 | -177.2 | 27.1 | -28.8 | 0 | 0 | 0 | 112.3 | D100 T101 | P98-D100 PolarHBondContact O-N 3.15Å; P98-T101 PolarHBondContact O-N 3.32Å; P98-T101 PolarHBondContact O-OG1 2.72Å | ||
| 99 | H | 65.1 | Low | 78.8 | Confident | 150 Ų | 150 | 65.6 Ų | 65.6 | 69% | 0.694 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -55.1 | -25.2 | -165.2 | -65.4 | -69.5 | 0 | 0 | 0 | 116.5 | T101 | H99-T101 VanDerWaalsContact C-N 3.3Å; H99-T101 PolarHBondContact O-N 3.5Å |
| 100 | D | 58.4 | Low | 78.2 | Confident | 160 Ų | 160 | 65.7 Ų | 65.7 | 86% | 0.856 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -82.8 | -0.1 | -172 | -47.7 | -68.3 | 0 | 0 | 0 | 114.4 | P98 | P98-D100 PolarHBondContact O-N 3.15Š|
| 101 | T | 56.4 | Low | 77.7 | Confident | 50 Ų | 50 | 71.2 Ų | 71.2 | 31% | 0.307 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -90.4 | -3.7 | -163.9 | -32.2 | 0 | 0 | 0 | 0 | 115.4 | Q97 P98 H99 R103 | Q97-T101 PolarHBondContact OE1-OG1 2.96Å; P98-T101 PolarHBondContact O-N 3.32Å; P98-T101 PolarHBondContact O-OG1 2.72Å; H99-T101 VanDerWaalsContact C-N 3.3Å; H99-T101 PolarHBondContact O-N 3.5Å; T101-R103 PolarHBondContact O-N 3.01Å; T101-R103 VanDerWaalsContact O-N 3.1Å |
| 102 | S | 60.3 | Low | 77.5 | Confident | 91 Ų | 91 | 73.2 Ų | 73.2 | 64% | 0.636 | 38% | 0.382 | S | S | * | . | trans | -61.5 | 112 | -165.5 | 67.1 | 0 | 0 | 0 | 0 | 114.3 | E106 | S102-E106 WeakPolarHBondContact CA-OE2 3.43Š| ||
| 103 | R | 65.6 | Low | 77.4 | Confident | 174 Ų | 174 | 69.7 Ų | 69.7 | 66% | 0.657 | 37% | 0.367 | S | S | * | . | trans | -106.3 | 156.7 | 177.5 | -67.5 | 179.6 | 172.1 | -159.6 | -3.8 | 113.1 | T101 D105 E106 | T101-R103 PolarHBondContact O-N 3.01Å; T101-R103 VanDerWaalsContact O-N 3.1Å; R103-D105 VanDerWaalsContact C-N 3.35Å; R103-D105 VanDerWaalsContact CB-OD1 3.23Å; R103-D105 WeakPolarHBondContact CB-OD1 3.4Å; R103-D105 PolarHBondContact O-N 2.63Å; R103-E106 HydrophobicContact CB-CG 4.12Å; R103-E106 PolarHBondContact N-OE2 2.85Å; R103-E106 WeakPolarHBondContact O-CB 3.25Å; R103-E106 PolarHBondContact O-N 2.94Å | ||
| 104 | L | 59.8 | Low | 77.3 | Confident | 158 Ų | 158 | 70 Ų | 70 | 83% | 0.827 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.5 | -35.8 | -177.6 | -79.5 | 162.5 | 0 | 0 | 0 | 113.2 | E106 T107 | L104-E106 VanDerWaalsContact C-N 3.3Å; L104-E106 PolarHBondContact O-N 3.03Å; L104-T107 WeakPolarHBondContact O-CB 3.11Å; L104-T107 PolarHBondContact O-N 3.3Å |
| 105 | D | 70.7 | Confident | 77.2 | Confident | 83 Ų | 83 | 73.9 Ų | 73.9 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.2 | -32.1 | 176.9 | 57.2 | -63.2 | 0 | 0 | 0 | 112.5 | S52 R103 T107 I108 L109 | S52-D105 PolarHBondContact OG-OD2 3.45Å; R103-D105 VanDerWaalsContact C-N 3.35Å; R103-D105 VanDerWaalsContact CB-OD1 3.23Å; R103-D105 WeakPolarHBondContact CB-OD1 3.4Å; R103-D105 PolarHBondContact O-N 2.63Å; D105-T107 PolarHBondContact O-N 2.98Å; D105-I108 PolarHBondContact O-N 3.02Å; D105-L109 PolarHBondContact O-N 3.33Å |
| 106 | E | 76.7 | Confident | 77.3 | Confident | 7 Ų | 7 | 70.5 Ų | 70.5 | 3% | 0.033 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.7 | -28 | 175.6 | -55.8 | 176.4 | 154.5 | 0 | 0 | 111.8 | F51 S102 R103 L104 I108 L109 V110 Y156 | F51-E106 HydrophobicContact CD1-CG 4.18Å; F51-E106 WeakPolarHBondContact CD1-OE1 3.41Å; F51-E106 HydrophobicContact CE1-CG 4.46Å; S102-E106 WeakPolarHBondContact CA-OE2 3.43Å; R103-E106 HydrophobicContact CB-CG 4.12Å; R103-E106 PolarHBondContact N-OE2 2.85Å; R103-E106 WeakPolarHBondContact O-CB 3.25Å; R103-E106 PolarHBondContact O-N 2.94Å; L104-E106 VanDerWaalsContact C-N 3.3Å; L104-E106 PolarHBondContact O-N 3.03Å; E106-I108 VanDerWaalsContact C-N 3.28Å; E106-I108 PolarHBondContact O-N 3.36Å; E106-L109 WeakPolarHBondContact O-CB 3.42Å; E106-L109 PolarHBondContact O-N 3.08Å; E106-L109 VanDerWaalsContact O-N 3.14Å; E106-V110 WeakPolarHBondContact O-CB 3.37Å; E106-V110 WeakPolarHBondContact O-CG2 3.05Å; E106-V110 PolarHBondContact O-N 3.32Å; E106-Y156 HydrophobicContact CB-CE1 3.89Å; E106-Y156 VanDerWaalsContact CD-OH 3.31Å; E106-Y156 PolarHBondContact OE2-OH 2.82Å |
| 107 | T | 76.1 | Confident | 77.6 | Confident | 52 Ų | 52 | 68.7 Ų | 68.7 | 32% | 0.319 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.2 | -30.6 | 177.7 | -61.7 | 0 | 0 | 0 | 0 | 112.5 | L104 D105 K111 A159 | L104-T107 WeakPolarHBondContact O-CB 3.11Å; L104-T107 PolarHBondContact O-N 3.3Å; D105-T107 PolarHBondContact O-N 2.98Å; T107-K111 WeakPolarHBondContact O-CG 3.45Å; T107-K111 PolarHBondContact O-N 3.4Å; T107-A159 HydrophobicContact CG2-CB 4.21Å |
| 108 | I | 83.5 | Confident | 78.1 | Confident | 111 Ų | 111 | 68.3 Ų | 68.3 | 57% | 0.569 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -74.5 | -42.4 | 173 | -60.5 | 174.9 | 0 | 0 | 0 | 109.5 | D105 E106 V110 K111 N112 | D105-I108 PolarHBondContact O-N 3.02Å; E106-I108 VanDerWaalsContact C-N 3.28Å; E106-I108 PolarHBondContact O-N 3.36Å; I108-V110 PolarHBondContact O-N 3.1Å; I108-K111 PolarHBondContact O-N 3.09Å; I108-N112 PolarHBondContact O-N 3.29Å; I108-N112 VanDerWaalsContact O-N 3.13Å |
| 109 | L | 85.6 | Confident | 79 | Confident | 19 Ų | 19 | 69.3 Ų | 69.3 | 10% | 0.099 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 179.1 | -163.5 | 71.7 | 0 | 0 | 0 | 112.4 | S52 I55 D105 E106 K111 N112 L113 | S52-L109 WeakPolarHBondContact O-CD2 3.25Å; I55-L109 HydrophobicContact CB-CD2 3.77Å; I55-L109 HydrophobicContact CG2-CD2 3.76Å; I55-L109 HydrophobicContact CG2-CG 4.06Å; D105-L109 PolarHBondContact O-N 3.33Å; E106-L109 WeakPolarHBondContact O-CB 3.42Å; E106-L109 PolarHBondContact O-N 3.08Å; E106-L109 VanDerWaalsContact O-N 3.14Å; L109-K111 VanDerWaalsContact C-N 3.33Å; L109-K111 PolarHBondContact O-N 2.81Å; L109-N112 PolarHBondContact O-N 2.76Å; L109-L113 WeakPolarHBondContact O-CB 3.31Å; L109-L113 PolarHBondContact O-N 3.15Å |
| 110 | V | 84.4 | Confident | 80.2 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.6 | -39 | 175.5 | 166.4 | 0 | 0 | 0 | 0 | 111.9 | E106 I108 L114 L152 Y156 A159 V160 | E106-V110 WeakPolarHBondContact O-CB 3.37Å; E106-V110 WeakPolarHBondContact O-CG2 3.05Å; E106-V110 PolarHBondContact O-N 3.32Å; I108-V110 PolarHBondContact O-N 3.1Å; V110-L114 VanDerWaalsContact O-CB 3.26Å; V110-L114 WeakPolarHBondContact O-CB 3.43Å; V110-L114 PolarHBondContact O-N 2.96Å; V110-L152 HydrophobicContact CB-CD1 4.43Å; V110-L152 HydrophobicContact CG1-CD1 3.96Å; V110-L152 HydrophobicContact CG1-CD2 4.25Å; V110-L152 HydrophobicContact CG1-CG 4.12Å; V110-L152 HydrophobicContact CG2-CD1 3.99Å; V110-Y156 HydrophobicContact CG1-CG 4.39Å; V110-Y156 HydrophobicContact CG2-CD1 3.81Å; V110-Y156 HydrophobicContact CG2-CD2 3.76Å; V110-Y156 HydrophobicContact CG2-CE1 4.21Å; V110-Y156 HydrophobicContact CG2-CE2 4.19Å; V110-Y156 HydrophobicContact CG2-CG 3.56Å; V110-A159 HydrophobicContact CG1-CB 3.76Å; V110-V160 HydrophobicContact CG1-CG2 4.41Å |
| 111 | K | 86.5 | Confident | 81.7 | Confident | 116 Ų | 116 | 55.3 Ų | 55.3 | 50% | 0.504 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 175.6 | -74.8 | 175.6 | 178.9 | -177.3 | 0 | 112.2 | T107 I108 L109 L114 Q115 | T107-K111 WeakPolarHBondContact O-CG 3.45Å; T107-K111 PolarHBondContact O-N 3.4Å; I108-K111 PolarHBondContact O-N 3.09Å; L109-K111 VanDerWaalsContact C-N 3.33Å; L109-K111 PolarHBondContact O-N 2.81Å; K111-L114 PolarHBondContact O-N 3.48Å; K111-Q115 PolarHBondContact O-N 2.94Å; K111-Q115 VanDerWaalsContact O-N 3.11Å |
| 112 | N | 90.5 | Very high | 83.3 | Confident | 82 Ų | 82 | 54.3 Ų | 54.3 | 44% | 0.439 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.4 | -47.1 | 177.2 | -64.9 | -8 | 0 | 0 | 0 | 110.6 | I108 L109 L114 Q115 E116 | I108-N112 PolarHBondContact O-N 3.29Å; I108-N112 VanDerWaalsContact O-N 3.13Å; L109-N112 PolarHBondContact O-N 2.76Å; N112-L114 PolarHBondContact O-N 3.05Å; N112-Q115 PolarHBondContact O-N 3.23Å; N112-E116 PolarHBondContact O-N 3.48Å; N112-E116 VanDerWaalsContact O-N 3.14Å |
| 113 | L | 93.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.9 | -45.8 | 174.7 | 172.2 | 60.2 | 0 | 0 | 0 | 112.2 | I55 L90 L109 Q115 E116 L117 L152 | I55-L113 HydrophobicContact CG2-CD2 4.03Å; L90-L113 HydrophobicContact CD1-CD1 3.63Å; L90-L113 HydrophobicContact CD1-CD2 4.35Å; L90-L113 HydrophobicContact CD2-CD1 3.92Å; L90-L113 HydrophobicContact CD2-CD2 3.97Å; L90-L113 HydrophobicContact CG-CD1 4.44Å; L109-L113 WeakPolarHBondContact O-CB 3.31Å; L109-L113 PolarHBondContact O-N 3.15Å; L113-Q115 VanDerWaalsContact C-N 3.28Å; L113-Q115 PolarHBondContact O-N 2.83Å; L113-E116 PolarHBondContact O-N 3.36Å; L113-E116 VanDerWaalsContact O-N 3.16Å; L113-L117 HydrophobicContact CD1-CD1 3.97Å; L113-L117 HydrophobicContact CD1-CD2 4.45Å; L113-L117 HydrophobicContact CD1-CG 4.01Å; L113-L117 HydrophobicContact CG-CD1 3.89Å; L113-L117 HydrophobicContact CG-CG 4.41Å; L113-L117 VanDerWaalsContact O-CG 3.32Å; L113-L117 WeakPolarHBondContact O-CG 3.46Å; L113-L117 PolarHBondContact O-N 2.88Å; L113-L152 HydrophobicContact CD2-CD1 3.76Å; L113-L152 HydrophobicContact CD2-CD2 4.25Å; L113-L152 HydrophobicContact CG-CD2 4.41Å |
| 114 | L | 91.4 | Very high | 85.6 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.5 | -40.6 | 177.7 | -179 | 62.1 | 0 | 0 | 0 | 111.9 | V110 K111 N112 L117 F118 L149 L152 V160 R163 | V110-L114 VanDerWaalsContact O-CB 3.26Å; V110-L114 WeakPolarHBondContact O-CB 3.43Å; V110-L114 PolarHBondContact O-N 2.96Å; K111-L114 PolarHBondContact O-N 3.48Å; N112-L114 PolarHBondContact O-N 3.05Å; L114-L117 PolarHBondContact O-N 3.3Å; L114-F118 HydrophobicContact CD1-CD2 4.2Å; L114-F118 HydrophobicContact CD1-CE2 3.7Å; L114-F118 HydrophobicContact CD1-CZ 4.37Å; L114-F118 HydrophobicContact CD2-CE2 4.49Å; L114-F118 HydrophobicContact CG-CD2 4.2Å; L114-F118 HydrophobicContact CG-CE2 3.85Å; L114-F118 WeakPolarHBondContact O-CD2 3.43Å; L114-F118 PolarHBondContact O-N 2.99Å; L114-L149 HydrophobicContact CD1-CD2 3.47Å; L114-L149 VanDerWaalsContact CD1-CD2 3.47Å; L114-L152 HydrophobicContact CB-CD2 4.44Å; L114-V160 HydrophobicContact CD1-CG1 4.41Å; L114-V160 HydrophobicContact CD2-CG1 4.38Å; L114-R163 HydrophobicContact CD2-CB 4.11Å; L114-R163 HydrophobicContact CD2-CG 4.43Å |
| 115 | Q | 90.5 | Very high | 86.9 | Confident | 84 Ų | 84 | 36.5 Ų | 36.5 | 39% | 0.393 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.1 | -37.1 | 177.3 | -172.2 | 58.4 | 82.8 | 0 | 0 | 112.5 | K111 N112 L113 R119 | K111-Q115 PolarHBondContact O-N 2.94Å; K111-Q115 VanDerWaalsContact O-N 3.11Å; N112-Q115 PolarHBondContact O-N 3.23Å; L113-Q115 VanDerWaalsContact C-N 3.28Å; L113-Q115 PolarHBondContact O-N 2.83Å; Q115-R119 PolarHBondContact O-N 3.27Å |
| 116 | E | 91.8 | Very high | 87.5 | Confident | 19 Ų | 19 | 35.8 Ų | 35.8 | 9% | 0.089 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.8 | -38.6 | 174.3 | -64.7 | -52.2 | 147.9 | 0 | 0 | 112.8 | T59 Q63 N112 L113 F118 R119 V120 | T59-E116 HydrophobicContact CG2-CB 4.49Å; T59-E116 HydrophobicContact CG2-CG 3.79Å; Q63-E116 HydrophobicContact CG-CG 3.84Å; Q63-E116 VanDerWaalsContact CG-OE1 3.25Å; Q63-E116 WeakPolarHBondContact CG-OE1 3.25Å; Q63-E116 PolarHBondContact NE2-OE1 3.4Å; N112-E116 PolarHBondContact O-N 3.48Å; N112-E116 VanDerWaalsContact O-N 3.14Å; L113-E116 PolarHBondContact O-N 3.36Å; L113-E116 VanDerWaalsContact O-N 3.16Å; E116-F118 VanDerWaalsContact C-N 3.32Å; E116-F118 PolarHBondContact O-N 3.28Å; E116-R119 PolarHBondContact O-N 2.64Å; E116-R119 VanDerWaalsContact O-N 3.09Å; E116-R119 IonicContact OE1-NH2 3.22Å; E116-R119 IonicContact OE2-CZ 3.93Å; E116-R119 VanDerWaalsContact OE2-CZ 3.24Å; E116-R119 IonicContact OE2-NE 2.71Å; E116-R119 PolarHBondContact OE2-NE 3.41Å; E116-R119 IonicContact OE2-NH2 3.76Å; E116-R119 PolarHBondContact OE2-NH2 3.36Å; E116-V120 WeakPolarHBondContact O-CG2 3.09Å; E116-V120 PolarHBondContact O-N 3.09Å |
| 117 | L | 92.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.7 | -38.9 | 178.1 | -69.5 | 166.2 | 0 | 0 | 0 | 112 | L87 L113 L114 R121 V145 V148 L149 L152 | L87-L117 HydrophobicContact CD2-CD2 3.7Å; L113-L117 HydrophobicContact CD1-CD1 3.97Å; L113-L117 HydrophobicContact CD1-CD2 4.45Å; L113-L117 HydrophobicContact CD1-CG 4.01Å; L113-L117 HydrophobicContact CG-CD1 3.89Å; L113-L117 HydrophobicContact CG-CG 4.41Å; L113-L117 VanDerWaalsContact O-CG 3.32Å; L113-L117 WeakPolarHBondContact O-CG 3.46Å; L113-L117 PolarHBondContact O-N 2.88Å; L114-L117 PolarHBondContact O-N 3.3Å; L117-R121 WeakPolarHBondContact O-CB 3.35Å; L117-R121 PolarHBondContact O-N 3Å; L117-V145 HydrophobicContact CB-CG1 4.23Å; L117-V145 HydrophobicContact CD2-CG1 4.32Å; L117-V148 HydrophobicContact CD1-CG1 3.53Å; L117-V148 HydrophobicContact CD2-CB 4.19Å; L117-V148 HydrophobicContact CD2-CG1 3.66Å; L117-V148 HydrophobicContact CG-CG1 4.25Å; L117-L149 HydrophobicContact CB-CD2 4.16Å; L117-L149 HydrophobicContact CD1-CD2 3.84Å; L117-L149 HydrophobicContact CD1-CG 4.41Å; L117-L152 HydrophobicContact CD1-CD2 4.18Å |
| 118 | F | 90 | Very high | 88.3 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66 | -39.3 | 170.9 | -75.2 | -60.9 | 0 | 0 | 0 | 112.8 | L114 E116 R121 N122 R163 E183 L186 | L114-F118 HydrophobicContact CD1-CD2 4.2Å; L114-F118 HydrophobicContact CD1-CE2 3.7Å; L114-F118 HydrophobicContact CD1-CZ 4.37Å; L114-F118 HydrophobicContact CD2-CE2 4.49Å; L114-F118 HydrophobicContact CG-CD2 4.2Å; L114-F118 HydrophobicContact CG-CE2 3.85Å; L114-F118 WeakPolarHBondContact O-CD2 3.43Å; L114-F118 PolarHBondContact O-N 2.99Å; E116-F118 VanDerWaalsContact C-N 3.32Å; E116-F118 PolarHBondContact O-N 3.28Å; F118-R121 PolarHBondContact O-N 3.4Å; F118-N122 WeakPolarHBondContact O-CB 3.5Å; F118-N122 VanDerWaalsContact O-CG 3.29Å; F118-N122 PolarHBondContact O-N 3.24Å; F118-R163 HydrophobicContact CE2-CG 4.28Å; F118-E183 HydrophobicContact CD1-CB 4.21Å; F118-E183 HydrophobicContact CD1-CG 3.8Å; F118-E183 HydrophobicContact CD2-CG 4.35Å; F118-E183 HydrophobicContact CE1-CB 3.72Å; F118-E183 HydrophobicContact CE1-CG 3.84Å; F118-E183 HydrophobicContact CE2-CB 4.46Å; F118-E183 HydrophobicContact CE2-CG 4.38Å; F118-E183 HydrophobicContact CG-CG 4.05Å; F118-E183 HydrophobicContact CZ-CB 3.84Å; F118-E183 HydrophobicContact CZ-CG 4.11Å; F118-L186 HydrophobicContact CE1-CB 4.18Å; F118-L186 HydrophobicContact CE2-CD2 4.44Å; F118-L186 HydrophobicContact CZ-CB 3.85Å; F118-L186 HydrophobicContact CZ-CD1 4.36Å; F118-L186 HydrophobicContact CZ-CD2 3.87Å; F118-L186 HydrophobicContact CZ-CG 4.24Å |
| 119 | R | 89.7 | Confident | 88.2 | Confident | 85 Ų | 85 | 34.5 Ų | 34.5 | 32% | 0.321 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64 | -49.5 | 177.6 | -171.3 | 169.4 | 66.9 | 121.5 | -0.7 | 111.5 | D66 Q115 E116 R121 N122 L123 | D66-R119 IonicContact OD1-CZ 3.6Å; D66-R119 IonicContact OD1-NE 2.75Å; D66-R119 IonicContact OD1-NH1 3.84Å; D66-R119 IonicContact OD2-CZ 2.9Å; D66-R119 IonicContact OD2-NE 2.62Å; D66-R119 IonicContact OD2-NH1 2.82Å; D66-R119 PolarHBondContact OD2-NH1 3.15Å; Q115-R119 PolarHBondContact O-N 3.27Å; E116-R119 PolarHBondContact O-N 2.64Å; E116-R119 VanDerWaalsContact O-N 3.09Å; E116-R119 IonicContact OE1-NH2 3.22Å; E116-R119 IonicContact OE2-CZ 3.93Å; E116-R119 VanDerWaalsContact OE2-CZ 3.24Å; E116-R119 IonicContact OE2-NE 2.71Å; E116-R119 PolarHBondContact OE2-NE 3.41Å; E116-R119 IonicContact OE2-NH2 3.76Å; E116-R119 PolarHBondContact OE2-NH2 3.36Å; R119-R121 VanDerWaalsContact C-N 3.33Å; R119-R121 PolarHBondContact O-N 3.17Å; R119-N122 PolarHBondContact O-N 3.01Å; R119-L123 WeakPolarHBondContact O-CB 3.46Å; R119-L123 PolarHBondContact O-N 3.03Å |
| 120 | V | 91 | Very high | 88 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.4 | -42.4 | 175.4 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | L83 L87 E116 N122 L123 V124 V145 | L83-V120 HydrophobicContact CD1-CG1 4.15Å; L83-V120 HydrophobicContact CD2-CG1 4.2Å; L83-V120 HydrophobicContact CD2-CG2 4.36Å; L87-V120 HydrophobicContact CD1-CG1 4.3Å; E116-V120 WeakPolarHBondContact O-CG2 3.09Å; E116-V120 PolarHBondContact O-N 3.09Å; V120-N122 PolarHBondContact O-N 3.22Å; V120-L123 PolarHBondContact O-N 3Å; V120-V124 HydrophobicContact CG1-CG2 4.48Å; V120-V124 WeakPolarHBondContact O-CG2 3.32Å; V120-V124 PolarHBondContact O-N 2.95Å; V120-V145 HydrophobicContact CG1-CG2 4.23Å |
| 121 | R | 90.3 | Very high | 87.5 | Confident | 16 Ų | 16 | 42.3 Ų | 42.3 | 6% | 0.06 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.7 | -49.9 | 174.4 | -175.6 | -177.4 | 177.1 | -86.3 | -2.3 | 111.8 | L117 F118 R119 L123 V124 L125 L142 V145 E185 | L117-R121 WeakPolarHBondContact O-CB 3.35Å; L117-R121 PolarHBondContact O-N 3Å; F118-R121 PolarHBondContact O-N 3.4Å; R119-R121 VanDerWaalsContact C-N 3.33Å; R119-R121 PolarHBondContact O-N 3.17Å; R121-L123 VanDerWaalsContact C-N 3.34Å; R121-L123 PolarHBondContact O-N 2.86Å; R121-V124 PolarHBondContact O-N 3.13Å; R121-L125 HydrophobicContact CG-CD1 4.42Å; R121-L125 WeakPolarHBondContact O-CG 3.25Å; R121-L125 PolarHBondContact O-N 2.95Å; R121-L142 HydrophobicContact CG-CD2 3.75Å; R121-V145 HydrophobicContact CB-CG1 4.3Å; R121-E185 IonicContact CZ-OE1 3.86Å; R121-E185 IonicContact CZ-OE2 2.94Å; R121-E185 IonicContact NH2-OE1 3.31Å; R121-E185 PolarHBondContact NH2-OE1 3.43Å; R121-E185 IonicContact NH2-OE2 3.84Å; R121-E185 PolarHBondContact NH2-OE2 3.11Å |
| 122 | N | 88.1 | Confident | 86.6 | Confident | 28 Ų | 28 | 41.8 Ų | 41.8 | 15% | 0.15 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.3 | -34.5 | -177.8 | -68.9 | -4.1 | 0 | 0 | 0 | 111.5 | F118 R119 V120 L125 N126 | F118-N122 WeakPolarHBondContact O-CB 3.5Å; F118-N122 VanDerWaalsContact O-CG 3.29Å; F118-N122 PolarHBondContact O-N 3.24Å; R119-N122 PolarHBondContact O-N 3.01Å; V120-N122 PolarHBondContact O-N 3.22Å; N122-L125 PolarHBondContact O-N 2.8Å; N122-N126 PolarHBondContact O-N 3.12Å; N122-N126 PolarHBondContact O-ND2 3.2Å |
| 123 | L | 88.3 | Confident | 85.5 | Confident | 41 Ų | 41 | 46.7 Ų | 46.7 | 22% | 0.215 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.3 | -44.9 | 172.6 | -176.8 | 57.3 | 0 | 0 | 0 | 112.1 | D66 F79 R119 V120 R121 L125 N126 F127 | D66-L123 HydrophobicContact CB-CD2 4.47Å; D66-L123 VanDerWaalsContact OD1-CD2 3.27Å; D66-L123 WeakPolarHBondContact OD1-CD2 3.49Å; F79-L123 HydrophobicContact CE1-CD2 4.31Å; F79-L123 HydrophobicContact CZ-CD2 3.67Å; R119-L123 WeakPolarHBondContact O-CB 3.46Å; R119-L123 PolarHBondContact O-N 3.03Å; V120-L123 PolarHBondContact O-N 3Å; R121-L123 VanDerWaalsContact C-N 3.34Å; R121-L123 PolarHBondContact O-N 2.86Å; L123-L125 VanDerWaalsContact C-N 3.33Å; L123-L125 PolarHBondContact O-N 3.43Å; L123-N126 WeakPolarHBondContact O-CB 3.47Å; L123-N126 PolarHBondContact O-N 3.02Å; L123-N126 VanDerWaalsContact O-N 3.16Å; L123-F127 HydrophobicContact CD1-CD2 3.93Å; L123-F127 HydrophobicContact CD1-CE2 3.61Å; L123-F127 HydrophobicContact CD2-CE2 4.25Å; L123-F127 HydrophobicContact CG-CD2 3.92Å; L123-F127 HydrophobicContact CG-CE2 3.75Å; L123-F127 WeakPolarHBondContact O-CD2 3.45Å; L123-F127 PolarHBondContact O-N 3.46Å |
| 124 | V | 87.3 | Confident | 84.7 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.7 | -36.4 | 176.3 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | L83 V120 R121 F127 M128 Y138 L141 L142 | L83-V124 HydrophobicContact CD1-CG2 4.44Å; V120-V124 HydrophobicContact CG1-CG2 4.48Å; V120-V124 WeakPolarHBondContact O-CG2 3.32Å; V120-V124 PolarHBondContact O-N 2.95Å; R121-V124 PolarHBondContact O-N 3.13Å; V124-F127 PolarHBondContact O-N 3.45Å; V124-M128 WeakPolarHBondContact O-CB 3.4Å; V124-M128 PolarHBondContact O-N 3.24Å; V124-Y138 HydrophobicContact CG1-CD1 4.17Å; V124-Y138 HydrophobicContact CG1-CG 4.34Å; V124-L141 HydrophobicContact CG1-CB 4.11Å; V124-L141 HydrophobicContact CG2-CB 4.17Å; V124-L141 HydrophobicContact CG2-CD1 3.98Å; V124-L142 HydrophobicContact CB-CD2 4.21Å; V124-L142 HydrophobicContact CG1-CD1 4.39Å; V124-L142 HydrophobicContact CG1-CD2 3.98Å; V124-L142 HydrophobicContact CG1-CG 3.82Å |
| 125 | L | 86 | Confident | 84.1 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 171.9 | -71.8 | 175.3 | 0 | 0 | 0 | 112.7 | R121 N122 L123 M128 N129 L142 L1136 | R121-L125 HydrophobicContact CG-CD1 4.42Å; R121-L125 WeakPolarHBondContact O-CG 3.25Å; R121-L125 PolarHBondContact O-N 2.95Å; N122-L125 PolarHBondContact O-N 2.8Å; L123-L125 VanDerWaalsContact C-N 3.33Å; L123-L125 PolarHBondContact O-N 3.43Å; L125-M128 HydrophobicContact CD2-CE 3.89Å; L125-M128 PolarHBondContact O-N 2.63Å; L125-N129 WeakPolarHBondContact O-CB 3.13Å; L125-N129 PolarHBondContact O-N 3.05Å; L125-N129 PolarHBondContact O-ND2 3.2Å; L125-L142 HydrophobicContact CD2-CD1 3.76Å; L125-L142 HydrophobicContact CD2-CD2 4.16Å; L125-L142 HydrophobicContact CG-CD2 4.06Å; L125-L1136 HydrophobicContact CD1-CD1 4.48Å; L125-L1136 HydrophobicContact CD1-CD2 4.23Å; L125-L1136 HydrophobicContact CD1-CG 4.47Å; L125-L1136 HydrophobicContact CD2-CD2 3.68Å |
| 126 | N | 84.5 | Confident | 83.8 | Confident | 68 Ų | 68 | 53.5 Ų | 53.5 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.9 | -47.1 | 173.3 | -78.6 | -39.5 | 0 | 0 | 0 | 111.6 | N122 L123 M128 N129 L130 M1134 | N122-N126 PolarHBondContact O-N 3.12Å; N122-N126 PolarHBondContact O-ND2 3.2Å; L123-N126 WeakPolarHBondContact O-CB 3.47Å; L123-N126 PolarHBondContact O-N 3.02Å; L123-N126 VanDerWaalsContact O-N 3.16Å; N126-M128 VanDerWaalsContact C-N 3.35Å; N126-M128 PolarHBondContact O-N 2.96Å; N126-N129 PolarHBondContact O-N 3.43Å; N126-L130 WeakPolarHBondContact O-CG 3.21Å; N126-L130 PolarHBondContact O-N 3.17Å; N126-M1134 PolarHBondContact OD1-SD 3.03Å |
| 127 | F | 83.6 | Confident | 83.5 | Confident | 39 Ų | 39 | 54.1 Ų | 54.1 | 17% | 0.171 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.4 | -44.1 | 174.4 | -84.3 | -70.2 | 0 | 0 | 0 | 112.2 | E76 F79 L123 V124 N129 L130 T131 Y138 | E76-F127 HydrophobicContact CG-CD1 4.47Å; E76-F127 HydrophobicContact CG-CE1 4.5Å; F79-F127 HydrophobicContact CD1-CE2 4.35Å; F79-F127 HydrophobicContact CE1-CD2 4.42Å; F79-F127 AromaticContact CE1-CE2 3.8Å; F79-F127 HydrophobicContact CE1-CE2 3.8Å; F79-F127 HydrophobicContact CE1-CZ 4.47Å; F79-F127 HydrophobicContact CZ-CE2 4.32Å; L123-F127 HydrophobicContact CD1-CD2 3.93Å; L123-F127 HydrophobicContact CD1-CE2 3.61Å; L123-F127 HydrophobicContact CD2-CE2 4.25Å; L123-F127 HydrophobicContact CG-CD2 3.92Å; L123-F127 HydrophobicContact CG-CE2 3.75Å; L123-F127 WeakPolarHBondContact O-CD2 3.45Å; L123-F127 PolarHBondContact O-N 3.46Å; V124-F127 PolarHBondContact O-N 3.45Å; F127-N129 VanDerWaalsContact C-N 3.29Å; F127-N129 PolarHBondContact O-N 2.87Å; F127-L130 PolarHBondContact O-N 3.37Å; F127-T131 PolarHBondContact O-N 3.21Å; F127-T131 PolarHBondContact O-OG1 3.12Å; F127-Y138 HydrophobicContact CB-CD1 4.46Å; F127-Y138 HydrophobicContact CB-CE1 3.91Å; F127-Y138 HydrophobicContact CB-CE2 4.46Å |
| 128 | M | 84.6 | Confident | 83.3 | Confident | 35 Ų | 35 | 54.1 Ų | 54.1 | 17% | 0.172 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.6 | -28.7 | 178.4 | -170.5 | 176.2 | 75.4 | 0 | 0 | 113.7 | V124 L125 N126 Y138 L142 | V124-M128 WeakPolarHBondContact O-CB 3.4Å; V124-M128 PolarHBondContact O-N 3.24Å; L125-M128 HydrophobicContact CD2-CE 3.89Å; L125-M128 PolarHBondContact O-N 2.63Å; N126-M128 VanDerWaalsContact C-N 3.35Å; N126-M128 PolarHBondContact O-N 2.96Å; M128-Y138 HydrophobicContact CB-CD2 3.68Å; M128-Y138 HydrophobicContact CB-CE2 4.44Å; M128-Y138 HydrophobicContact CB-CG 4.08Å; M128-Y138 HydrophobicContact CG-CD2 3.95Å; M128-L142 HydrophobicContact SD-CD1 4.48Å |
| 129 | N | 81.7 | Confident | 83.3 | Confident | 69 Ų | 69 | 58.4 Ų | 58.4 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -82.4 | -23.8 | 175.1 | -82.6 | -36.6 | 0 | 0 | 0 | 113.4 | L125 N126 F127 L1135 | L125-N129 WeakPolarHBondContact O-CB 3.13Å; L125-N129 PolarHBondContact O-N 3.05Å; L125-N129 PolarHBondContact O-ND2 3.2Å; N126-N129 PolarHBondContact O-N 3.43Å; F127-N129 VanDerWaalsContact C-N 3.29Å; F127-N129 PolarHBondContact O-N 2.87Å; N129-L1135 PolarHBondContact ND2-O 3.27Å; N129-L1135 PolarHBondContact OD1-O 3.37Å |
| 130 | L | 81.1 | Confident | 83.4 | Confident | 147 Ų | 147 | 58.7 Ų | 58.7 | 77% | 0.77 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -90.7 | -33.5 | 177 | -69 | 168.5 | 0 | 0 | 0 | 112.9 | N126 F127 | N126-L130 WeakPolarHBondContact O-CG 3.21Å; N126-L130 PolarHBondContact O-N 3.17Å; F127-L130 PolarHBondContact O-N 3.37Å |
| 131 | T | 74.2 | Confident | 83.6 | Confident | 39 Ų | 39 | 58.7 Ų | 58.7 | 24% | 0.239 | 31% | 0.306 | C | S | . | . | trans | -131.3 | 115.7 | -175.8 | 64.2 | 0 | 0 | 0 | 0 | 109.8 | F127 Y138 | F127-T131 PolarHBondContact O-N 3.21Å; F127-T131 PolarHBondContact O-OG1 3.12Å; T131-Y138 WeakPolarHBondContact O-CE2 3.44Å; T131-Y138 WeakPolarHBondContact OG1-CE2 3.44Å; T131-Y138 PolarHBondContact OG1-OH 3.31Å | ||
| 132 | S | 67.1 | Low | 83.7 | Confident | 105 Ų | 105 | 59.1 Ų | 59.1 | 73% | 0.734 | 31% | 0.31 | S | S | * | . | trans | -90.5 | -17.9 | -179.7 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | N134 G135 | S132-N134 PolarHBondContact O-N 3.22Å; S132-G135 PolarHBondContact O-N 3.12Å | ||
| 133 | E | 68.9 | Low | 83.9 | Confident | 184 Ų | 184 | 62.6 Ų | 62.6 | 86% | 0.86 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -38.7 | -172.1 | -56.6 | -168.2 | 157.9 | 0 | 0 | 112.7 | G135 | E133-G135 PolarHBondContact O-N 3.05Š|
| 134 | N | 74.9 | Confident | 84.3 | Confident | 44 Ų | 44 | 61.2 Ų | 61.2 | 24% | 0.235 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 16.2 | -178.1 | -78 | -42 | 0 | 0 | 0 | 114.4 | E76 S132 K136 M137 Y138 | E76-N134 PolarHBondContact OE2-ND2 2.95Å; S132-N134 PolarHBondContact O-N 3.22Å; N134-K136 VanDerWaalsContact C-N 3.28Å; N134-K136 PolarHBondContact O-N 3.23Å; N134-M137 VanDerWaalsContact O-CB 3.25Å; N134-M137 WeakPolarHBondContact O-CB 3.43Å; N134-M137 PolarHBondContact O-N 3.03Å; N134-Y138 HydrophobicContact CB-CD2 4.43Å; N134-Y138 HydrophobicContact CB-CE1 4.33Å; N134-Y138 HydrophobicContact CB-CE2 3.72Å; N134-Y138 PolarHBondContact O-N 2.81Å |
| 135 | G | 80.5 | Confident | 84.7 | Confident | 22 Ų | 22 | 61.2 Ų | 61.2 | 23% | 0.227 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -50.9 | -32.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | S132 E133 M137 N139 | S132-G135 PolarHBondContact O-N 3.12Å; E133-G135 PolarHBondContact O-N 3.05Å; G135-M137 PolarHBondContact O-N 3.3Å; G135-N139 PolarHBondContact O-N 2.89Å; G135-N139 PolarHBondContact O-ND2 3.25Å |
| 136 | K | 83.1 | Confident | 85 | Confident | 169 Ų | 169 | 61.8 Ų | 61.8 | 74% | 0.735 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.3 | -43.3 | 173.4 | -76.2 | -173.5 | 176.6 | -177.4 | 0 | 111.8 | N134 N139 Q140 D555 | N134-K136 VanDerWaalsContact C-N 3.28Å; N134-K136 PolarHBondContact O-N 3.23Å; K136-N139 PolarHBondContact O-N 3.47Å; K136-Q140 PolarHBondContact O-N 2.96Å; K136-Q140 VanDerWaalsContact O-N 3.17Å; K136-D555 IonicContact NZ-OD2 3.88Å; K136-D555 PolarHBondContact NZ-OD2 2.62Å |
| 137 | M | 85.6 | Confident | 85.6 | Confident | 31 Ų | 31 | 62.9 Ų | 62.9 | 15% | 0.153 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.1 | -43.7 | -175.7 | -169.7 | -171.1 | -66.4 | 0 | 0 | 111.4 | R77 C80 N134 G135 N139 Q140 L141 | R77-M137 HydrophobicContact CB-CE 4.49Å; R77-M137 HydrophobicContact CG-CE 4.12Å; C80-M137 HydrophobicContact CB-CG 3.97Å; C80-M137 HydrophobicContact CB-SD 3.26Å; C80-M137 WeakPolarHBondContact CB-SD 3.42Å; N134-M137 VanDerWaalsContact O-CB 3.25Å; N134-M137 WeakPolarHBondContact O-CB 3.43Å; N134-M137 PolarHBondContact O-N 3.03Å; G135-M137 PolarHBondContact O-N 3.3Å; M137-N139 PolarHBondContact O-N 3.48Å; M137-Q140 PolarHBondContact O-N 3.47Å; M137-L141 PolarHBondContact O-N 2.76Å |
| 138 | Y | 89.5 | Confident | 86.1 | Confident | 1 Ų | 1 | 61 Ų | 61 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 176.6 | -55.3 | -39.9 | 0 | 0 | 0 | 112.3 | E76 V124 F127 M128 T131 N134 Q140 L141 L142 | E76-Y138 PolarHBondContact OE1-OH 3.29Å; E76-Y138 PolarHBondContact OE2-OH 3.11Å; E76-Y138 VanDerWaalsContact OE2-OH 3.13Å; V124-Y138 HydrophobicContact CG1-CD1 4.17Å; V124-Y138 HydrophobicContact CG1-CG 4.34Å; F127-Y138 HydrophobicContact CB-CD1 4.46Å; F127-Y138 HydrophobicContact CB-CE1 3.91Å; F127-Y138 HydrophobicContact CB-CE2 4.46Å; M128-Y138 HydrophobicContact CB-CD2 3.68Å; M128-Y138 HydrophobicContact CB-CE2 4.44Å; M128-Y138 HydrophobicContact CB-CG 4.08Å; M128-Y138 HydrophobicContact CG-CD2 3.95Å; T131-Y138 WeakPolarHBondContact O-CE2 3.44Å; T131-Y138 WeakPolarHBondContact OG1-CE2 3.44Å; T131-Y138 PolarHBondContact OG1-OH 3.31Å; N134-Y138 HydrophobicContact CB-CD2 4.43Å; N134-Y138 HydrophobicContact CB-CE1 4.33Å; N134-Y138 HydrophobicContact CB-CE2 3.72Å; N134-Y138 PolarHBondContact O-N 2.81Å; Y138-Q140 VanDerWaalsContact C-N 3.32Å; Y138-Q140 PolarHBondContact O-N 3.29Å; Y138-L141 PolarHBondContact O-N 3.48Å; Y138-L142 VanDerWaalsContact O-CG 3.29Å; Y138-L142 WeakPolarHBondContact O-CG 3.5Å; Y138-L142 PolarHBondContact O-N 2.92Å |
| 139 | N | 89.2 | Confident | 86.6 | Confident | 94 Ų | 94 | 59.5 Ų | 59.5 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64 | -35.9 | 175.1 | -80.9 | -85.3 | 0 | 0 | 0 | 112.5 | G135 K136 M137 L142 L143 | G135-N139 PolarHBondContact O-N 2.89Å; G135-N139 PolarHBondContact O-ND2 3.25Å; K136-N139 PolarHBondContact O-N 3.47Å; M137-N139 PolarHBondContact O-N 3.48Å; N139-L142 PolarHBondContact O-N 3.46Å; N139-L143 WeakPolarHBondContact O-CB 3.46Å; N139-L143 PolarHBondContact O-N 2.82Å |
| 140 | Q | 92.8 | Very high | 87.2 | Confident | 91 Ų | 91 | 59.5 Ų | 59.5 | 43% | 0.425 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 173.9 | -174.6 | 171.7 | -7.3 | 0 | 0 | 112 | L84 K136 M137 Y138 L143 L144 | L84-Q140 HydrophobicContact CD1-CG 4.15Å; K136-Q140 PolarHBondContact O-N 2.96Å; K136-Q140 VanDerWaalsContact O-N 3.17Å; M137-Q140 PolarHBondContact O-N 3.47Å; Y138-Q140 VanDerWaalsContact C-N 3.32Å; Y138-Q140 PolarHBondContact O-N 3.29Å; Q140-L143 PolarHBondContact O-N 3.04Å; Q140-L144 WeakPolarHBondContact O-CB 3.44Å; Q140-L144 PolarHBondContact O-N 2.76Å |
| 141 | L | 93.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 174.3 | -78.6 | 170 | 0 | 0 | 0 | 112.5 | C80 L83 L84 L87 V124 M137 Y138 L144 V145 | C80-L141 HydrophobicContact CB-CD1 3.86Å; L83-L141 HydrophobicContact CB-CD2 3.8Å; L84-L141 HydrophobicContact CB-CD2 3.91Å; L84-L141 HydrophobicContact CG-CD2 4.4Å; L87-L141 HydrophobicContact CD1-CD2 4.12Å; V124-L141 HydrophobicContact CG1-CB 4.11Å; V124-L141 HydrophobicContact CG2-CB 4.17Å; V124-L141 HydrophobicContact CG2-CD1 3.98Å; M137-L141 PolarHBondContact O-N 2.76Å; Y138-L141 PolarHBondContact O-N 3.48Å; L141-L144 PolarHBondContact O-N 3.32Å; L141-V145 WeakPolarHBondContact O-CG2 3.36Å; L141-V145 PolarHBondContact O-N 3.33Å |
| 142 | L | 92.5 | Very high | 88.6 | Confident | 26 Ų | 26 | 51 Ų | 51 | 14% | 0.136 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 177.6 | -67.6 | 169.4 | 0 | 0 | 0 | 112.1 | R121 V124 L125 M128 Y138 N139 L144 V145 S146 | R121-L142 HydrophobicContact CG-CD2 3.75Å; V124-L142 HydrophobicContact CB-CD2 4.21Å; V124-L142 HydrophobicContact CG1-CD1 4.39Å; V124-L142 HydrophobicContact CG1-CD2 3.98Å; V124-L142 HydrophobicContact CG1-CG 3.82Å; L125-L142 HydrophobicContact CD2-CD1 3.76Å; L125-L142 HydrophobicContact CD2-CD2 4.16Å; L125-L142 HydrophobicContact CG-CD2 4.06Å; M128-L142 HydrophobicContact SD-CD1 4.48Å; Y138-L142 VanDerWaalsContact O-CG 3.29Å; Y138-L142 WeakPolarHBondContact O-CG 3.5Å; Y138-L142 PolarHBondContact O-N 2.92Å; N139-L142 PolarHBondContact O-N 3.46Å; L142-L144 VanDerWaalsContact C-N 3.34Å; L142-V145 PolarHBondContact O-N 3.01Å; L142-S146 PolarHBondContact O-N 2.99Å; L142-S146 PolarHBondContact O-OG 3.34Å |
| 143 | L | 93.1 | Very high | 89.8 | Confident | 101 Ų | 101 | 46 Ų | 46 | 53% | 0.529 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.8 | -41.8 | 173.6 | 178.5 | 62.2 | 0 | 0 | 0 | 111.6 | N139 Q140 S146 Q147 | N139-L143 WeakPolarHBondContact O-CB 3.46Å; N139-L143 PolarHBondContact O-N 2.82Å; Q140-L143 PolarHBondContact O-N 3.04Å; L143-S146 VanDerWaalsContact O-CB 3.28Å; L143-S146 WeakPolarHBondContact O-CB 3.36Å; L143-S146 PolarHBondContact O-N 3.36Å; L143-Q147 WeakPolarHBondContact O-CG 3.28Å; L143-Q147 PolarHBondContact O-N 2.74Å |
| 144 | L | 95.6 | Very high | 90.8 | Very high | 11 Ų | 11 | 39.6 Ų | 39.6 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.9 | -39.3 | 179.9 | -174.3 | 59.9 | 0 | 0 | 0 | 112.3 | L84 L87 E88 Q140 L141 L142 S146 Q147 V148 | L84-L144 HydrophobicContact CD2-CD2 4.41Å; L84-L144 HydrophobicContact CG-CD2 4.06Å; L87-L144 HydrophobicContact CB-CD2 3.58Å; L87-L144 HydrophobicContact CB-CG 3.78Å; L87-L144 HydrophobicContact CD1-CD2 4.49Å; E88-L144 HydrophobicContact CG-CD1 4.17Å; E88-L144 HydrophobicContact CG-CD2 3.98Å; Q140-L144 WeakPolarHBondContact O-CB 3.44Å; Q140-L144 PolarHBondContact O-N 2.76Å; L141-L144 PolarHBondContact O-N 3.32Å; L142-L144 VanDerWaalsContact C-N 3.34Å; L144-S146 VanDerWaalsContact C-N 3.27Å; L144-S146 PolarHBondContact O-N 3.24Å; L144-Q147 PolarHBondContact O-N 3.42Å; L144-V148 WeakPolarHBondContact O-CG2 3.27Å; L144-V148 PolarHBondContact O-N 2.74Å |
| 145 | V | 95.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.2 | -40.1 | 169.8 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | L87 L117 V120 R121 L141 L142 Q147 V148 L149 | L87-V145 HydrophobicContact CD1-CG2 3.73Å; L87-V145 HydrophobicContact CD2-CG2 4.33Å; L117-V145 HydrophobicContact CB-CG1 4.23Å; L117-V145 HydrophobicContact CD2-CG1 4.32Å; V120-V145 HydrophobicContact CG1-CG2 4.23Å; R121-V145 HydrophobicContact CB-CG1 4.3Å; L141-V145 WeakPolarHBondContact O-CG2 3.36Å; L141-V145 PolarHBondContact O-N 3.33Å; L142-V145 PolarHBondContact O-N 3.01Å; V145-Q147 PolarHBondContact O-N 3.41Å; V145-V148 PolarHBondContact O-N 2.86Å; V145-L149 HydrophobicContact CG1-CD1 4.15Å; V145-L149 HydrophobicContact CG1-CG 4.45Å; V145-L149 WeakPolarHBondContact O-CG 3.44Å; V145-L149 PolarHBondContact O-N 3.49Å |
| 146 | S | 94 | Very high | 91.5 | Very high | 20 Ų | 20 | 39.5 Ų | 39.5 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63 | -40.6 | 176.1 | -54.4 | 0 | 0 | 0 | 0 | 112.4 | L142 L143 L144 L149 Y150 H189 | L142-S146 PolarHBondContact O-N 2.99Å; L142-S146 PolarHBondContact O-OG 3.34Å; L143-S146 VanDerWaalsContact O-CB 3.28Å; L143-S146 WeakPolarHBondContact O-CB 3.36Å; L143-S146 PolarHBondContact O-N 3.36Å; L144-S146 VanDerWaalsContact C-N 3.27Å; L144-S146 PolarHBondContact O-N 3.24Å; S146-L149 PolarHBondContact O-N 3.48Å; S146-Y150 PolarHBondContact O-N 3.39Å; S146-H189 WeakPolarHBondContact CB-ND1 3.04Å; S146-H189 PolarHBondContact OG-CE1 2.88Å; S146-H189 PolarHBondContact OG-NE2 3.45Å |
| 147 | Q | 95.2 | Very high | 91.9 | Very high | 91 Ų | 91 | 32.2 Ų | 32.2 | 43% | 0.425 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65 | -42.1 | 175 | -72.2 | 168.6 | -12.8 | 0 | 0 | 111.9 | L143 L144 V145 Y150 A151 | L143-Q147 WeakPolarHBondContact O-CG 3.28Å; L143-Q147 PolarHBondContact O-N 2.74Å; L144-Q147 PolarHBondContact O-N 3.42Å; V145-Q147 PolarHBondContact O-N 3.41Å; Q147-Y150 WeakPolarHBondContact O-CB 3.47Å; Q147-Y150 PolarHBondContact O-N 3.31Å; Q147-A151 PolarHBondContact O-N 3.19Å |
| 148 | V | 95.3 | Very high | 92 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.2 | -44.6 | 173.8 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | L87 L90 E91 L94 L117 L144 V145 Y150 A151 L152 | L87-V148 HydrophobicContact CD2-CG2 4.46Å; L90-V148 HydrophobicContact CD2-CB 4.48Å; L90-V148 HydrophobicContact CD2-CG1 3.35Å; L90-V148 HydrophobicContact CD2-CG2 4.25Å; E91-V148 HydrophobicContact CB-CG2 3.87Å; L94-V148 HydrophobicContact CD1-CG1 3.96Å; L117-V148 HydrophobicContact CD1-CG1 3.53Å; L117-V148 HydrophobicContact CD2-CB 4.19Å; L117-V148 HydrophobicContact CD2-CG1 3.66Å; L117-V148 HydrophobicContact CG-CG1 4.25Å; L144-V148 WeakPolarHBondContact O-CG2 3.27Å; L144-V148 PolarHBondContact O-N 2.74Å; V145-V148 PolarHBondContact O-N 2.86Å; V148-Y150 VanDerWaalsContact C-N 3.32Å; V148-Y150 PolarHBondContact O-N 3.32Å; V148-A151 PolarHBondContact O-N 2.68Å; V148-L152 VanDerWaalsContact O-CB 3.25Å; V148-L152 WeakPolarHBondContact O-CB 3.39Å; V148-L152 PolarHBondContact O-N 3.4Å |
| 149 | L | 94 | Very high | 91.9 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.6 | -40 | 177 | -71.4 | 171 | 0 | 0 | 0 | 111.8 | L114 L117 V145 S146 S153 L186 H189 | L114-L149 HydrophobicContact CD1-CD2 3.47Å; L114-L149 VanDerWaalsContact CD1-CD2 3.47Å; L117-L149 HydrophobicContact CB-CD2 4.16Å; L117-L149 HydrophobicContact CD1-CD2 3.84Å; L117-L149 HydrophobicContact CD1-CG 4.41Å; V145-L149 HydrophobicContact CG1-CD1 4.15Å; V145-L149 HydrophobicContact CG1-CG 4.45Å; V145-L149 WeakPolarHBondContact O-CG 3.44Å; V145-L149 PolarHBondContact O-N 3.49Å; S146-L149 PolarHBondContact O-N 3.48Å; L149-S153 VanDerWaalsContact O-CB 3.31Å; L149-S153 WeakPolarHBondContact O-CB 3.13Å; L149-S153 PolarHBondContact O-N 3.47Å; L149-S153 PolarHBondContact O-OG 3.13Å; L149-L186 HydrophobicContact CB-CD1 4.38Å; L149-L186 HydrophobicContact CD1-CD1 4.1Å; L149-L186 HydrophobicContact CD2-CD1 3.98Å; L149-L186 HydrophobicContact CG-CD1 4.39Å; L149-H189 HydrophobicContact CB-CB 4.26Å |
| 150 | Y | 94.6 | Very high | 92 | Very high | 69 Ų | 69 | 31.1 Ų | 31.1 | 27% | 0.271 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.9 | -51.4 | 174.2 | -178.8 | -87.7 | 0 | 0 | 0 | 111.8 | S146 Q147 V148 L152 S153 T154 H189 N191 N233 | S146-Y150 PolarHBondContact O-N 3.39Å; Q147-Y150 WeakPolarHBondContact O-CB 3.47Å; Q147-Y150 PolarHBondContact O-N 3.31Å; V148-Y150 VanDerWaalsContact C-N 3.32Å; V148-Y150 PolarHBondContact O-N 3.32Å; Y150-L152 PolarHBondContact O-N 2.84Å; Y150-S153 PolarHBondContact O-N 3Å; Y150-S153 PolarHBondContact O-OG 3.41Å; Y150-T154 PolarHBondContact O-N 3.33Å; Y150-T154 VanDerWaalsContact O-N 3.08Å; Y150-T154 PolarHBondContact O-OG1 3.48Å; Y150-H189 VanDerWaalsContact CA-O 3.26Å; Y150-H189 WeakPolarHBondContact CA-O 3.45Å; Y150-H189 WeakPolarHBondContact CB-O 3.41Å; Y150-H189 PolarHBondContact N-O 2.86Å; Y150-N191 HydrophobicContact CD2-CB 3.92Å; Y150-N191 HydrophobicContact CE1-CB 4.33Å; Y150-N191 HydrophobicContact CE2-CB 3.59Å; Y150-N191 HydrophobicContact CG-CB 4.44Å; Y150-N191 PolarHBondContact OH-ND2 3.43Å; Y150-N233 VanDerWaalsContact OH-CG 3.26Å; Y150-N233 PolarHBondContact OH-ND2 2.98Å; Y150-N233 PolarHBondContact OH-OD1 3.41Å |
| 151 | A | 92.5 | Very high | 91.9 | Very high | 8 Ų | 8 | 27.1 Ų | 27.1 | 7% | 0.066 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.2 | -45.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L94 Q147 V148 S153 T154 | L94-A151 HydrophobicContact CB-CB 3.82Å; L94-A151 HydrophobicContact CD1-CB 4.23Å; Q147-A151 PolarHBondContact O-N 3.19Å; V148-A151 PolarHBondContact O-N 2.68Å; A151-S153 PolarHBondContact O-N 3.32Å; A151-T154 VanDerWaalsContact O-CB 3.3Å; A151-T154 WeakPolarHBondContact O-CB 3.34Å; A151-T154 PolarHBondContact O-N 2.97Å |
| 152 | L | 91.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.3 | -43.8 | 176.9 | -169.2 | 66.3 | 0 | 0 | 0 | 112.3 | L94 V110 L113 L114 L117 V148 Y150 T154 Y156 V160 | L94-L152 HydrophobicContact CD1-CB 4.1Å; L94-L152 HydrophobicContact CD1-CD1 4.2Å; L94-L152 HydrophobicContact CD2-CD1 3.78Å; V110-L152 HydrophobicContact CB-CD1 4.43Å; V110-L152 HydrophobicContact CG1-CD1 3.96Å; V110-L152 HydrophobicContact CG1-CD2 4.25Å; V110-L152 HydrophobicContact CG1-CG 4.12Å; V110-L152 HydrophobicContact CG2-CD1 3.99Å; L113-L152 HydrophobicContact CD2-CD1 3.76Å; L113-L152 HydrophobicContact CD2-CD2 4.25Å; L113-L152 HydrophobicContact CG-CD2 4.41Å; L114-L152 HydrophobicContact CB-CD2 4.44Å; L117-L152 HydrophobicContact CD1-CD2 4.18Å; V148-L152 VanDerWaalsContact O-CB 3.25Å; V148-L152 WeakPolarHBondContact O-CB 3.39Å; V148-L152 PolarHBondContact O-N 3.4Å; Y150-L152 PolarHBondContact O-N 2.84Å; L152-T154 VanDerWaalsContact C-N 3.28Å; L152-T154 PolarHBondContact O-N 2.98Å; L152-Y156 HydrophobicContact CD1-CD2 4.41Å; L152-Y156 PolarHBondContact O-N 3.49Å; L152-V160 HydrophobicContact CD2-CG2 4.18Å; L152-V160 HydrophobicContact CG-CG2 4.1Å |
| 153 | S | 92.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70.6 | -20.6 | 179.7 | 74.2 | 0 | 0 | 0 | 0 | 114 | L149 Y150 A151 F157 N191 | L149-S153 VanDerWaalsContact O-CB 3.31Å; L149-S153 WeakPolarHBondContact O-CB 3.13Å; L149-S153 PolarHBondContact O-N 3.47Å; L149-S153 PolarHBondContact O-OG 3.13Å; Y150-S153 PolarHBondContact O-N 3Å; Y150-S153 PolarHBondContact O-OG 3.41Å; A151-S153 PolarHBondContact O-N 3.32Å; S153-F157 WeakPolarHBondContact O-CA 3.49Å; S153-F157 WeakPolarHBondContact O-CB 3.41Å; S153-F157 PolarHBondContact O-N 3.08Å; S153-N191 WeakPolarHBondContact OG-CB 3.37Å; S153-N191 PolarHBondContact OG-N 3.48Å |
| 154 | T | 90.2 | Very high | 91.5 | Very high | 50 Ų | 50 | 28 Ų | 28 | 31% | 0.307 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -64.4 | -40.5 | 179.5 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | Y150 A151 L152 N191 | Y150-T154 PolarHBondContact O-N 3.33Å; Y150-T154 VanDerWaalsContact O-N 3.08Å; Y150-T154 PolarHBondContact O-OG1 3.48Å; A151-T154 VanDerWaalsContact O-CB 3.3Å; A151-T154 WeakPolarHBondContact O-CB 3.34Å; A151-T154 PolarHBondContact O-N 2.97Å; L152-T154 VanDerWaalsContact C-N 3.28Å; L152-T154 PolarHBondContact O-N 2.98Å; T154-N191 WeakPolarHBondContact CG2-ND2 3.39Å; T154-N191 PolarHBondContact OG1-ND2 2.89Å |
| 155 | Q | 82.3 | Confident | 91.3 | Very high | 50 Ų | 50 | 28.7 Ų | 28.7 | 23% | 0.234 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -100.8 | -45.8 | -179.9 | -65.7 | 179.8 | -12.3 | 0 | 0 | 112.1 | Q97 F157 | Q97-Q155 PolarHBondContact O-NE2 3.17Å; Q155-F157 PolarHBondContact O-N 2.9Å |
| 156 | Y | 88.3 | Confident | 90.9 | Very high | 14 Ų | 14 | 33.2 Ų | 33.2 | 6% | 0.055 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -102.2 | 34.5 | -171.3 | -58.1 | -84.8 | 0 | 0 | 0 | 112.7 | F51 Q97 E106 V110 L152 N158 A159 V160 | F51-Y156 HydrophobicContact CE1-CE2 4.04Å; F51-Y156 AromaticContact CE1-CZ 3.87Å; F51-Y156 WeakPolarHBondContact CE1-OH 3.32Å; F51-Y156 AromaticContact CZ-CE2 3.95Å; F51-Y156 HydrophobicContact CZ-CE2 3.95Å; Q97-Y156 PolarHBondContact NE2-OH 3.06Å; E106-Y156 HydrophobicContact CB-CE1 3.89Å; E106-Y156 VanDerWaalsContact CD-OH 3.31Å; E106-Y156 PolarHBondContact OE2-OH 2.82Å; V110-Y156 HydrophobicContact CG1-CG 4.39Å; V110-Y156 HydrophobicContact CG2-CD1 3.81Å; V110-Y156 HydrophobicContact CG2-CD2 3.76Å; V110-Y156 HydrophobicContact CG2-CE1 4.21Å; V110-Y156 HydrophobicContact CG2-CE2 4.19Å; V110-Y156 HydrophobicContact CG2-CG 3.56Å; L152-Y156 HydrophobicContact CD1-CD2 4.41Å; L152-Y156 PolarHBondContact O-N 3.49Å; Y156-N158 VanDerWaalsContact C-N 3.3Å; Y156-N158 PolarHBondContact O-N 3.47Å; Y156-N158 VanDerWaalsContact O-N 3.11Å; Y156-A159 WeakPolarHBondContact O-CB 3.48Å; Y156-A159 PolarHBondContact O-N 3.47Å; Y156-V160 PolarHBondContact O-N 2.91Å |
| 157 | F | 90.7 | Very high | 90.6 | Very high | 15 Ų | 15 | 32.3 Ų | 32.3 | 7% | 0.066 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -44.3 | -49.2 | -174.3 | 178.5 | -101.8 | 0 | 0 | 0 | 113.7 | S153 Q155 A159 V160 F161 L190 L192 K196 | S153-F157 WeakPolarHBondContact O-CA 3.49Å; S153-F157 WeakPolarHBondContact O-CB 3.41Å; S153-F157 PolarHBondContact O-N 3.08Å; Q155-F157 PolarHBondContact O-N 2.9Å; F157-A159 VanDerWaalsContact C-N 3.31Å; F157-A159 PolarHBondContact O-N 3.09Å; F157-V160 PolarHBondContact O-N 3.42Å; F157-F161 HydrophobicContact CD1-CB 4.27Å; F157-F161 HydrophobicContact CE1-CB 3.85Å; F157-F161 AromaticContact CE1-CD2 3.93Å; F157-F161 HydrophobicContact CE1-CD2 3.93Å; F157-F161 AromaticContact CE1-CG 3.94Å; F157-F161 HydrophobicContact CE1-CG 3.94Å; F157-F161 HydrophobicContact CE2-CB 4.27Å; F157-F161 HydrophobicContact CE2-CD2 4.2Å; F157-F161 HydrophobicContact CZ-CB 3.86Å; F157-F161 AromaticContact CZ-CD2 3.42Å; F157-F161 HydrophobicContact CZ-CD2 3.42Å; F157-F161 VanDerWaalsContact CZ-CD2 3.42Å; F157-F161 HydrophobicContact CZ-CE2 4.24Å; F157-F161 AromaticContact CZ-CG 3.86Å; F157-F161 HydrophobicContact CZ-CG 3.86Å; F157-F161 WeakPolarHBondContact O-CB 3.48Å; F157-F161 PolarHBondContact O-N 2.85Å; F157-L190 HydrophobicContact CE2-CD1 4.21Å; F157-L192 HydrophobicContact CE2-CD2 3.74Å; F157-L192 HydrophobicContact CZ-CD2 4.28Å; F157-K196 HydrophobicContact CD1-CD 4.17Å; F157-K196 HydrophobicContact CD1-CG 4.01Å; F157-K196 HydrophobicContact CD2-CD 3.65Å; F157-K196 HydrophobicContact CD2-CG 4.18Å; F157-K196 HydrophobicContact CE1-CB 4.15Å; F157-K196 HydrophobicContact CE1-CD 4.28Å; F157-K196 HydrophobicContact CE1-CG 3.75Å; F157-K196 HydrophobicContact CE2-CB 3.94Å; F157-K196 HydrophobicContact CE2-CD 3.77Å; F157-K196 HydrophobicContact CE2-CG 3.93Å; F157-K196 HydrophobicContact CG-CD 3.85Å; F157-K196 HydrophobicContact CG-CG 4.21Å; F157-K196 HydrophobicContact CZ-CB 3.65Å; F157-K196 HydrophobicContact CZ-CD 4.08Å; F157-K196 HydrophobicContact CZ-CG 3.7Å |
| 158 | N | 89 | Confident | 90.3 | Very high | 93 Ų | 93 | 28 Ų | 28 | 50% | 0.497 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -63.5 | -33.5 | -178 | -75.2 | -55.7 | 0 | 0 | 0 | 113.3 | Y156 N162 R199 | Y156-N158 VanDerWaalsContact C-N 3.3Å; Y156-N158 PolarHBondContact O-N 3.47Å; Y156-N158 VanDerWaalsContact O-N 3.11Å; N158-N162 VanDerWaalsContact O-CB 3.28Å; N158-N162 WeakPolarHBondContact O-CB 3.42Å; N158-N162 PolarHBondContact O-N 3.13Å; N158-N162 VanDerWaalsContact O-N 3.15Å; N158-N162 PolarHBondContact O-ND2 3.27Å; N158-N162 VanDerWaalsContact O-ND2 3.14Å; N158-R199 PolarHBondContact OD1-NH1 3.3Å |
| 159 | A | 86.7 | Confident | 90 | Very high | 11 Ų | 11 | 29.9 Ų | 29.9 | 9% | 0.091 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.2 | -40.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T107 V110 Y156 F157 | T107-A159 HydrophobicContact CG2-CB 4.21Å; V110-A159 HydrophobicContact CG1-CB 3.76Å; Y156-A159 WeakPolarHBondContact O-CB 3.48Å; Y156-A159 PolarHBondContact O-N 3.47Å; F157-A159 VanDerWaalsContact C-N 3.31Å; F157-A159 PolarHBondContact O-N 3.09Å |
| 160 | V | 90.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -74.1 | -47.6 | 178.3 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | V110 L114 L152 Y156 F157 N162 R163 L186 L190 | V110-V160 HydrophobicContact CG1-CG2 4.41Å; L114-V160 HydrophobicContact CD1-CG1 4.41Å; L114-V160 HydrophobicContact CD2-CG1 4.38Å; L152-V160 HydrophobicContact CD2-CG2 4.18Å; L152-V160 HydrophobicContact CG-CG2 4.1Å; Y156-V160 PolarHBondContact O-N 2.91Å; F157-V160 PolarHBondContact O-N 3.42Å; V160-N162 VanDerWaalsContact C-N 3.28Å; V160-N162 PolarHBondContact O-N 2.94Å; V160-R163 VanDerWaalsContact O-CB 3.31Å; V160-R163 WeakPolarHBondContact O-CB 3.4Å; V160-R163 PolarHBondContact O-N 3.09Å; V160-L186 HydrophobicContact CG1-CD1 3.96Å; V160-L186 HydrophobicContact CG1-CD2 3.82Å; V160-L186 HydrophobicContact CG1-CG 4.31Å; V160-L190 HydrophobicContact CG1-CD2 3.55Å |
| 161 | F | 92 | Very high | 88.9 | Confident | 6 Ų | 6 | 29.1 Ų | 29.1 | 3% | 0.026 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57 | -39.8 | 177.9 | -177.9 | -90.1 | 0 | 0 | 0 | 112 | F157 R163 I164 P165 R199 L200 E203 | F157-F161 HydrophobicContact CD1-CB 4.27Å; F157-F161 HydrophobicContact CE1-CB 3.85Å; F157-F161 AromaticContact CE1-CD2 3.93Å; F157-F161 HydrophobicContact CE1-CD2 3.93Å; F157-F161 AromaticContact CE1-CG 3.94Å; F157-F161 HydrophobicContact CE1-CG 3.94Å; F157-F161 HydrophobicContact CE2-CB 4.27Å; F157-F161 HydrophobicContact CE2-CD2 4.2Å; F157-F161 HydrophobicContact CZ-CB 3.86Å; F157-F161 AromaticContact CZ-CD2 3.42Å; F157-F161 HydrophobicContact CZ-CD2 3.42Å; F157-F161 VanDerWaalsContact CZ-CD2 3.42Å; F157-F161 HydrophobicContact CZ-CE2 4.24Å; F157-F161 AromaticContact CZ-CG 3.86Å; F157-F161 HydrophobicContact CZ-CG 3.86Å; F157-F161 WeakPolarHBondContact O-CB 3.48Å; F157-F161 PolarHBondContact O-N 2.85Å; F161-R163 PolarHBondContact O-N 3.39Å; F161-I164 WeakPolarHBondContact O-CB 3.47Å; F161-I164 PolarHBondContact O-N 3.22Å; F161-P165 HydrophobicContact CE1-CG 4.45Å; F161-P165 WeakPolarHBondContact O-CD 3.3Å; F161-R199 HydrophobicContact CE1-CG 4.39Å; F161-R199 HydrophobicContact CE2-CG 4.44Å; F161-R199 HydrophobicContact CZ-CG 3.92Å; F161-L200 HydrophobicContact CE2-CB 4.12Å; F161-L200 HydrophobicContact CE2-CD1 4.01Å; F161-E203 HydrophobicContact CZ-CB 4.39Å |
| 162 | N | 89.7 | Confident | 88.5 | Confident | 80 Ų | 80 | 30.2 Ų | 30.2 | 43% | 0.428 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -7.9 | 178.1 | -74.3 | -13.4 | 0 | 0 | 0 | 114 | N158 V160 N166 | N158-N162 VanDerWaalsContact O-CB 3.28Å; N158-N162 WeakPolarHBondContact O-CB 3.42Å; N158-N162 PolarHBondContact O-N 3.13Å; N158-N162 VanDerWaalsContact O-N 3.15Å; N158-N162 PolarHBondContact O-ND2 3.27Å; N158-N162 VanDerWaalsContact O-ND2 3.14Å; V160-N162 VanDerWaalsContact C-N 3.28Å; V160-N162 PolarHBondContact O-N 2.94Å; N162-N166 PolarHBondContact O-ND2 3.03Å |
| 163 | R | 88.8 | Confident | 87.9 | Confident | 65 Ų | 65 | 37.1 Ų | 37.1 | 25% | 0.245 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -36.6 | 166.9 | -171.6 | 56.4 | 173.8 | -157.2 | -5.9 | 111.9 | L114 F118 V160 F161 N166 C167 E183 | L114-R163 HydrophobicContact CD2-CB 4.11Å; L114-R163 HydrophobicContact CD2-CG 4.43Å; F118-R163 HydrophobicContact CE2-CG 4.28Å; V160-R163 VanDerWaalsContact O-CB 3.31Å; V160-R163 WeakPolarHBondContact O-CB 3.4Å; V160-R163 PolarHBondContact O-N 3.09Å; F161-R163 PolarHBondContact O-N 3.39Å; R163-N166 WeakPolarHBondContact O-CB 3.43Å; R163-N166 PolarHBondContact O-N 2.84Å; R163-N166 VanDerWaalsContact O-N 3.1Å; R163-C167 PolarHBondContact O-N 2.88Å; R163-C167 PolarHBondContact O-SG 3.01Å; R163-C167 VanDerWaalsContact O-SG 3.34Å; R163-E183 IonicContact CZ-OE1 2.76Å; R163-E183 IonicContact CZ-OE2 3.76Å; R163-E183 IonicContact NE-OE2 3.82Å; R163-E183 PolarHBondContact NE-OE2 3.37Å; R163-E183 IonicContact NH2-OE1 3.7Å; R163-E183 PolarHBondContact NH2-OE1 3.3Å; R163-E183 IonicContact NH2-OE2 2.92Å; R163-E183 PolarHBondContact NH2-OE2 3.1Å |
| 164 | I | 91.8 | Very high | 86.6 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.1 | -48.8 | -173.6 | -67.4 | 167.3 | 0 | 0 | 0 | 113.3 | F161 N166 C167 L168 L186 I187 L190 L200 | F161-I164 WeakPolarHBondContact O-CB 3.47Å; F161-I164 PolarHBondContact O-N 3.22Å; I164-N166 PolarHBondContact O-N 3.3Å; I164-C167 PolarHBondContact O-N 2.89Å; I164-C167 VanDerWaalsContact O-N 3.17Å; I164-L168 HydrophobicContact CG2-CD1 3.83Å; I164-L168 HydrophobicContact CG2-CG 4.17Å; I164-L168 VanDerWaalsContact O-CG 3.31Å; I164-L168 WeakPolarHBondContact O-CG 3.37Å; I164-L168 PolarHBondContact O-N 2.97Å; I164-L186 HydrophobicContact CG1-CD2 4.25Å; I164-I187 HydrophobicContact CD1-CG1 3.73Å; I164-I187 HydrophobicContact CG1-CG1 4.31Å; I164-I187 HydrophobicContact CG2-CD1 4.34Å; I164-L190 HydrophobicContact CD1-CD1 3.71Å; I164-L200 HydrophobicContact CD1-CD1 4.07Å; I164-L200 HydrophobicContact CG2-CD1 4.28Å |
| 165 | P | 91.3 | Very high | 85.1 | Confident | 25 Ų | 25 | 45.3 Ų | 45.3 | 16% | 0.162 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.6 | -32.9 | 175.2 | -25.6 | 33.2 | 0 | 0 | 0 | 113.6 | F161 A169 E203 | F161-P165 HydrophobicContact CE1-CG 4.45Å; F161-P165 WeakPolarHBondContact O-CD 3.3Å; P165-A169 WeakPolarHBondContact O-CB 3.47Å; P165-A169 PolarHBondContact O-N 3.39Å; P165-E203 HydrophobicContact CG-CG 4.18Å |
| 166 | N | 86.7 | Confident | 83.9 | Confident | 96 Ų | 96 | 47.6 Ų | 47.6 | 51% | 0.513 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -73.5 | -44.5 | 177.4 | -66.2 | -54.7 | 0 | 0 | 0 | 111.3 | N162 R163 I164 L168 A169 L170 | N162-N166 PolarHBondContact O-ND2 3.03Å; R163-N166 WeakPolarHBondContact O-CB 3.43Å; R163-N166 PolarHBondContact O-N 2.84Å; R163-N166 VanDerWaalsContact O-N 3.1Å; I164-N166 PolarHBondContact O-N 3.3Å; N166-L168 VanDerWaalsContact C-N 3.31Å; N166-L168 PolarHBondContact O-N 3.26Å; N166-A169 PolarHBondContact O-N 3.47Å; N166-L170 VanDerWaalsContact O-CG 3.31Å; N166-L170 WeakPolarHBondContact O-CG 3.5Å; N166-L170 PolarHBondContact O-N 2.6Å |
| 167 | C | 88 | Confident | 82.3 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.9 | -38.9 | 173.1 | -59.7 | 0 | 0 | 0 | 0 | 112 | R163 I164 L170 A171 E183 L184 | R163-C167 PolarHBondContact O-N 2.88Å; R163-C167 PolarHBondContact O-SG 3.01Å; R163-C167 VanDerWaalsContact O-SG 3.34Å; I164-C167 PolarHBondContact O-N 2.89Å; I164-C167 VanDerWaalsContact O-N 3.17Å; C167-L170 PolarHBondContact O-N 3.42Å; C167-A171 VanDerWaalsContact O-CB 3.25Å; C167-A171 WeakPolarHBondContact O-CB 3.44Å; C167-A171 PolarHBondContact O-N 3.1Å; C167-E183 PolarHBondContact SG-OE2 2.91Å; C167-L184 HydrophobicContact CB-CD2 3.53Å; C167-L184 HydrophobicContact CB-CG 3.99Å |
| 168 | L | 89.5 | Confident | 80.8 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 174.1 | -67.7 | 172.3 | 0 | 0 | 0 | 112.1 | I164 N166 A172 L184 E203 I204 R207 L211 L219 | I164-L168 HydrophobicContact CG2-CD1 3.83Å; I164-L168 HydrophobicContact CG2-CG 4.17Å; I164-L168 VanDerWaalsContact O-CG 3.31Å; I164-L168 WeakPolarHBondContact O-CG 3.37Å; I164-L168 PolarHBondContact O-N 2.97Å; N166-L168 VanDerWaalsContact C-N 3.31Å; N166-L168 PolarHBondContact O-N 3.26Å; L168-A172 PolarHBondContact O-N 3.08Å; L168-L184 HydrophobicContact CD2-CD1 4.1Å; L168-L184 HydrophobicContact CD2-CD2 3.66Å; L168-L184 HydrophobicContact CG-CD2 3.85Å; L168-E203 HydrophobicContact CD1-CG 4.41Å; L168-I204 HydrophobicContact CD1-CG1 4Å; L168-R207 HydrophobicContact CB-CB 4.25Å; L168-R207 HydrophobicContact CB-CG 4.06Å; L168-R207 HydrophobicContact CD1-CB 4.24Å; L168-R207 HydrophobicContact CD1-CG 3.94Å; L168-L211 HydrophobicContact CB-CD2 4.32Å; L168-L211 HydrophobicContact CD2-CD1 3.88Å; L168-L211 HydrophobicContact CD2-CD2 4.15Å; L168-L211 WeakPolarHBondContact O-CD2 3.37Å; L168-L219 HydrophobicContact CD2-CD1 4.13Å; L168-L219 HydrophobicContact CD2-CD2 4.45Å |
| 169 | A | 88.1 | Confident | 79.6 | Confident | 38 Ų | 38 | 50.6 Ų | 50.6 | 31% | 0.314 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68 | -41.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P165 N166 A172 Q173 | P165-A169 WeakPolarHBondContact O-CB 3.47Å; P165-A169 PolarHBondContact O-N 3.39Å; N166-A169 PolarHBondContact O-N 3.47Å; A169-A172 WeakPolarHBondContact O-CB 3.38Å; A169-A172 PolarHBondContact O-N 3.36Å; A169-Q173 WeakPolarHBondContact O-CG 3.46Å |
| 170 | L | 83.2 | Confident | 78.5 | Confident | 50 Ų | 50 | 53.2 Ų | 53.2 | 26% | 0.262 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 177.4 | -70.2 | 163 | 0 | 0 | 0 | 111.9 | N166 C167 A172 Q173 | N166-L170 VanDerWaalsContact O-CG 3.31Å; N166-L170 WeakPolarHBondContact O-CG 3.5Å; N166-L170 PolarHBondContact O-N 2.6Å; C167-L170 PolarHBondContact O-N 3.42Å; L170-A172 PolarHBondContact O-N 3.14Å; L170-A172 VanDerWaalsContact O-N 3.15Å; L170-Q173 PolarHBondContact O-N 3.35Å |
| 171 | A | 83 | Confident | 77.2 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 5% | 0.05 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.6 | -10.6 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | C167 A181 L184 L211 T215 | C167-A171 VanDerWaalsContact O-CB 3.25Å; C167-A171 WeakPolarHBondContact O-CB 3.44Å; C167-A171 PolarHBondContact O-N 3.1Å; A171-A181 HydrophobicContact CB-CB 4.19Å; A171-L184 HydrophobicContact CB-CD1 4.3Å; A171-L211 HydrophobicContact CB-CD2 4.31Å; A171-T215 HydrophobicContact CB-CG2 4.06Å |
| 172 | A | 84.4 | Confident | 76.3 | Confident | 31 Ų | 31 | 55.3 Ų | 55.3 | 26% | 0.256 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -88 | -20.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L168 A169 L170 S210 | L168-A172 PolarHBondContact O-N 3.08Å; A169-A172 WeakPolarHBondContact O-CB 3.38Å; A169-A172 PolarHBondContact O-N 3.36Å; L170-A172 PolarHBondContact O-N 3.14Å; L170-A172 VanDerWaalsContact O-N 3.15Å; A172-S210 WeakPolarHBondContact CA-O 3.31Å; A172-S210 WeakPolarHBondContact CB-O 3.32Å |
| 173 | Q | 79.7 | Confident | 76.1 | Confident | 145 Ų | 145 | 52 Ų | 52 | 68% | 0.678 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -91.6 | -45.9 | -164.3 | -75.8 | -179.4 | -5.5 | 0 | 0 | 115.1 | A169 L170 | A169-Q173 WeakPolarHBondContact O-CG 3.46Å; L170-Q173 PolarHBondContact O-N 3.35Å |
| 174 | D | 64.2 | Low | 76.1 | Confident | 99 Ų | 99 | 49 Ų | 49 | 53% | 0.529 | 28% | 0.276 | S | S | . | . | trans | -155.7 | 173.9 | 172.4 | -142.2 | -20.5 | 0 | 0 | 0 | 115 | K212 | D174-K212 PolarHBondContact O-NZ 3.06Å; D174-K212 IonicContact OD1-NZ 3.49Å | ||
| 175 | E | 58.8 | Low | 75.9 | Confident | 123 Ų | 123 | 50 Ų | 50 | 58% | 0.575 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -82.8 | -22.2 | 178 | -67.5 | -150.4 | 147.6 | 0 | 0 | 113.9 | N177 V178 K212 | E175-N177 PolarHBondContact O-N 3.47Å; E175-V178 WeakPolarHBondContact O-CG2 3.39Å; E175-K212 HydrophobicContact CG-CD 4.27Å |
| 176 | S | 57.3 | Low | 76 | Confident | 97 Ų | 97 | 49 Ų | 49 | 68% | 0.678 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -21.1 | -178.2 | 48.6 | 0 | 0 | 0 | 0 | 114.3 | V178 | S176-V178 VanDerWaalsContact C-N 3.33Å; S176-V178 PolarHBondContact O-N 2.98Å |
| 177 | N | 54.1 | Low | 76.4 | Confident | 54 Ų | 54 | 44.4 Ų | 44.4 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 38.2 | -178.2 | -70.8 | -34.6 | 0 | 0 | 0 | 113.6 | E175 D179 Q180 A181 | E175-N177 PolarHBondContact O-N 3.47Å; N177-D179 PolarHBondContact O-N 2.81Å; N177-Q180 HydrophobicContact CB-CB 4.41Å; N177-Q180 PolarHBondContact O-N 3.17Å; N177-Q180 VanDerWaalsContact O-N 3.09Å; N177-A181 PolarHBondContact O-N 2.65Å; N177-A181 VanDerWaalsContact O-N 3.08Å |
| 178 | V | 60.4 | Low | 76.6 | Confident | 53 Ų | 53 | 45 Ų | 45 | 32% | 0.321 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -50.7 | -45.9 | 179.9 | -172.5 | 0 | 0 | 0 | 0 | 111.5 | E175 S176 Q180 A181 N182 | E175-V178 WeakPolarHBondContact O-CG2 3.39Å; S176-V178 VanDerWaalsContact C-N 3.33Å; S176-V178 PolarHBondContact O-N 2.98Å; V178-Q180 PolarHBondContact O-N 3.23Å; V178-A181 WeakPolarHBondContact O-CB 3.36Å; V178-A181 PolarHBondContact O-N 3.14Å; V178-A181 VanDerWaalsContact O-N 3.14Å; V178-N182 VanDerWaalsContact O-CG 3.25Å; V178-N182 PolarHBondContact O-N 3.36Å; V178-N182 PolarHBondContact O-ND2 3.28Å |
| 179 | D | 63.3 | Low | 76.8 | Confident | 79 Ų | 79 | 46.2 Ų | 46.2 | 42% | 0.422 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.2 | -29.2 | -176.5 | -60.4 | -10.8 | 0 | 0 | 0 | 113.4 | N177 M1134 | N177-D179 PolarHBondContact O-N 2.81Å; D179-M1134 WeakPolarHBondContact OD1-CE 3.44Å |
| 180 | Q | 63.4 | Low | 77.1 | Confident | 66 Ų | 66 | 44.5 Ų | 44.5 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -87.5 | -27 | 178.5 | -64 | 169.4 | 11.9 | 0 | 0 | 111.8 | N177 V178 N182 E183 | N177-Q180 HydrophobicContact CB-CB 4.41Å; N177-Q180 PolarHBondContact O-N 3.17Å; N177-Q180 VanDerWaalsContact O-N 3.09Å; V178-Q180 PolarHBondContact O-N 3.23Å; Q180-N182 VanDerWaalsContact C-N 3.3Å; Q180-E183 WeakPolarHBondContact O-CB 3.18Å; Q180-E183 PolarHBondContact O-N 2.71Å |
| 181 | A | 62.9 | Low | 77.7 | Confident | 25 Ų | 25 | 42.4 Ų | 42.4 | 21% | 0.207 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.3 | -33.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A171 N177 V178 E183 L184 | A171-A181 HydrophobicContact CB-CB 4.19Å; N177-A181 PolarHBondContact O-N 2.65Å; N177-A181 VanDerWaalsContact O-N 3.08Å; V178-A181 WeakPolarHBondContact O-CB 3.36Å; V178-A181 PolarHBondContact O-N 3.14Å; V178-A181 VanDerWaalsContact O-N 3.14Å; A181-E183 PolarHBondContact O-N 2.73Å; A181-L184 VanDerWaalsContact O-CB 3.3Å; A181-L184 WeakPolarHBondContact O-CB 3.07Å; A181-L184 WeakPolarHBondContact O-CG 3.38Å; A181-L184 PolarHBondContact O-N 2.83Å; A181-L184 VanDerWaalsContact O-N 3.15Å |
| 182 | N | 74.7 | Confident | 78.3 | Confident | 25 Ų | 25 | 42.2 Ų | 42.2 | 13% | 0.134 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -65.5 | -21.8 | 174 | -65.9 | -22.5 | 0 | 0 | 0 | 113.1 | V178 Q180 L184 E185 | V178-N182 VanDerWaalsContact O-CG 3.25Å; V178-N182 PolarHBondContact O-N 3.36Å; V178-N182 PolarHBondContact O-ND2 3.28Å; Q180-N182 VanDerWaalsContact C-N 3.3Å; N182-L184 PolarHBondContact O-N 3.38Å; N182-E185 VanDerWaalsContact O-CB 3.25Å; N182-E185 WeakPolarHBondContact O-CB 3.42Å; N182-E185 PolarHBondContact O-N 3Å; N182-E185 VanDerWaalsContact O-N 3.16Å |
| 183 | E | 84.3 | Confident | 78.8 | Confident | 10 Ų | 10 | 41.4 Ų | 41.4 | 5% | 0.047 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -64.5 | -19 | 172.5 | -65.8 | -173.9 | -163.5 | 0 | 0 | 113.3 | F118 R163 C167 Q180 A181 E185 L186 | F118-E183 HydrophobicContact CD1-CB 4.21Å; F118-E183 HydrophobicContact CD1-CG 3.8Å; F118-E183 HydrophobicContact CD2-CG 4.35Å; F118-E183 HydrophobicContact CE1-CB 3.72Å; F118-E183 HydrophobicContact CE1-CG 3.84Å; F118-E183 HydrophobicContact CE2-CB 4.46Å; F118-E183 HydrophobicContact CE2-CG 4.38Å; F118-E183 HydrophobicContact CG-CG 4.05Å; F118-E183 HydrophobicContact CZ-CB 3.84Å; F118-E183 HydrophobicContact CZ-CG 4.11Å; R163-E183 IonicContact CZ-OE1 2.76Å; R163-E183 IonicContact CZ-OE2 3.76Å; R163-E183 IonicContact NE-OE2 3.82Å; R163-E183 PolarHBondContact NE-OE2 3.37Å; R163-E183 IonicContact NH2-OE1 3.7Å; R163-E183 PolarHBondContact NH2-OE1 3.3Å; R163-E183 IonicContact NH2-OE2 2.92Å; R163-E183 PolarHBondContact NH2-OE2 3.1Å; C167-E183 PolarHBondContact SG-OE2 2.91Å; Q180-E183 WeakPolarHBondContact O-CB 3.18Å; Q180-E183 PolarHBondContact O-N 2.71Å; A181-E183 PolarHBondContact O-N 2.73Å; E183-E185 PolarHBondContact O-N 3.26Å; E183-E185 VanDerWaalsContact O-N 3.11Å; E183-L186 WeakPolarHBondContact O-CB 3.44Å; E183-L186 PolarHBondContact O-N 3.28Å |
| 184 | L | 89.2 | Confident | 79.5 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -60.8 | -18.4 | 173.3 | -67.8 | 171.7 | 0 | 0 | 0 | 112.7 | C167 L168 A171 A181 N182 L186 I187 T215 L219 Y222 | C167-L184 HydrophobicContact CB-CD2 3.53Å; C167-L184 HydrophobicContact CB-CG 3.99Å; L168-L184 HydrophobicContact CD2-CD1 4.1Å; L168-L184 HydrophobicContact CD2-CD2 3.66Å; L168-L184 HydrophobicContact CG-CD2 3.85Å; A171-L184 HydrophobicContact CB-CD1 4.3Å; A181-L184 VanDerWaalsContact O-CB 3.3Å; A181-L184 WeakPolarHBondContact O-CB 3.07Å; A181-L184 WeakPolarHBondContact O-CG 3.38Å; A181-L184 PolarHBondContact O-N 2.83Å; A181-L184 VanDerWaalsContact O-N 3.15Å; N182-L184 PolarHBondContact O-N 3.38Å; L184-L186 PolarHBondContact O-N 2.91Å; L184-L186 VanDerWaalsContact O-N 3.16Å; L184-I187 VanDerWaalsContact O-CB 3.32Å; L184-I187 WeakPolarHBondContact O-CB 3.39Å; L184-I187 WeakPolarHBondContact O-CD1 3.27Å; L184-I187 WeakPolarHBondContact O-CG1 3.27Å; L184-I187 PolarHBondContact O-N 3.33Å; L184-I187 VanDerWaalsContact O-N 3.1Å; L184-T215 HydrophobicContact CD1-CG2 3.58Å; L184-L219 HydrophobicContact CD1-CD2 4.42Å; L184-Y222 HydrophobicContact CB-CD2 4.38Å; L184-Y222 HydrophobicContact CB-CE2 4.31Å |
| 185 | E | 88.4 | Confident | 80.9 | Confident | 22 Ų | 22 | 40.2 Ų | 40.2 | 10% | 0.103 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -58.8 | -22.8 | 172.3 | -167.4 | 162.2 | 148.2 | 0 | 0 | 113 | R121 N182 E183 I187 Q188 Y222 | R121-E185 IonicContact CZ-OE1 3.86Å; R121-E185 IonicContact CZ-OE2 2.94Å; R121-E185 IonicContact NH2-OE1 3.31Å; R121-E185 PolarHBondContact NH2-OE1 3.43Å; R121-E185 IonicContact NH2-OE2 3.84Å; R121-E185 PolarHBondContact NH2-OE2 3.11Å; N182-E185 VanDerWaalsContact O-CB 3.25Å; N182-E185 WeakPolarHBondContact O-CB 3.42Å; N182-E185 PolarHBondContact O-N 3Å; N182-E185 VanDerWaalsContact O-N 3.16Å; E183-E185 PolarHBondContact O-N 3.26Å; E183-E185 VanDerWaalsContact O-N 3.11Å; E185-I187 PolarHBondContact O-N 3.14Å; E185-Q188 VanDerWaalsContact CD-NE2 3.34Å; E185-Q188 VanDerWaalsContact CG-CD 3.42Å; E185-Q188 HydrophobicContact CG-CG 4.23Å; E185-Q188 VanDerWaalsContact O-CG 3.28Å; E185-Q188 WeakPolarHBondContact O-CG 3.37Å; E185-Q188 PolarHBondContact O-N 2.76Å; E185-Q188 PolarHBondContact OE1-NE2 3.4Å; E185-Y222 HydrophobicContact CB-CD1 4.46Å; E185-Y222 HydrophobicContact CB-CE1 3.84Å; E185-Y222 HydrophobicContact CB-CE2 3.91Å; E185-Y222 HydrophobicContact CG-CD1 4.06Å; E185-Y222 HydrophobicContact CG-CE1 3.49Å; E185-Y222 VanDerWaalsContact CG-CE1 3.49Å; E185-Y222 HydrophobicContact CG-CE2 4.47Å; E185-Y222 PolarHBondContact OE2-OH 3.34Å |
| 186 | L | 91.8 | Very high | 82.6 | Confident | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -45.9 | -34.1 | 169.5 | 175 | 64.5 | 0 | 0 | 0 | 113.3 | F118 L149 V160 I164 E183 L184 Q188 H189 L190 | F118-L186 HydrophobicContact CE1-CB 4.18Å; F118-L186 HydrophobicContact CE2-CD2 4.44Å; F118-L186 HydrophobicContact CZ-CB 3.85Å; F118-L186 HydrophobicContact CZ-CD1 4.36Å; F118-L186 HydrophobicContact CZ-CD2 3.87Å; F118-L186 HydrophobicContact CZ-CG 4.24Å; L149-L186 HydrophobicContact CB-CD1 4.38Å; L149-L186 HydrophobicContact CD1-CD1 4.1Å; L149-L186 HydrophobicContact CD2-CD1 3.98Å; L149-L186 HydrophobicContact CG-CD1 4.39Å; V160-L186 HydrophobicContact CG1-CD1 3.96Å; V160-L186 HydrophobicContact CG1-CD2 3.82Å; V160-L186 HydrophobicContact CG1-CG 4.31Å; I164-L186 HydrophobicContact CG1-CD2 4.25Å; E183-L186 WeakPolarHBondContact O-CB 3.44Å; E183-L186 PolarHBondContact O-N 3.28Å; L184-L186 PolarHBondContact O-N 2.91Å; L184-L186 VanDerWaalsContact O-N 3.16Å; L186-Q188 PolarHBondContact O-N 3.15Å; L186-H189 PolarHBondContact O-N 3.29Å; L186-L190 HydrophobicContact CD1-CD2 3.86Å; L186-L190 HydrophobicContact CG-CD2 3.96Å; L186-L190 WeakPolarHBondContact O-CG 3.37Å; L186-L190 PolarHBondContact O-N 2.85Å |
| 187 | I | 94.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -51.1 | -40.6 | 177.5 | -74.1 | 167.2 | 0 | 0 | 0 | 111.8 | I164 L184 E185 H189 L200 I204 L219 L223 A226 | I164-I187 HydrophobicContact CD1-CG1 3.73Å; I164-I187 HydrophobicContact CG1-CG1 4.31Å; I164-I187 HydrophobicContact CG2-CD1 4.34Å; L184-I187 VanDerWaalsContact O-CB 3.32Å; L184-I187 WeakPolarHBondContact O-CB 3.39Å; L184-I187 WeakPolarHBondContact O-CD1 3.27Å; L184-I187 WeakPolarHBondContact O-CG1 3.27Å; L184-I187 PolarHBondContact O-N 3.33Å; L184-I187 VanDerWaalsContact O-N 3.1Å; E185-I187 PolarHBondContact O-N 3.14Å; I187-H189 PolarHBondContact O-N 3.25Å; I187-L200 HydrophobicContact CD1-CD1 4.47Å; I187-L200 HydrophobicContact CG1-CD1 4.26Å; I187-L200 HydrophobicContact CG2-CD2 4Å; I187-I204 HydrophobicContact CD1-CD1 4Å; I187-L219 HydrophobicContact CD1-CD2 3.67Å; I187-L223 HydrophobicContact CG2-CD2 4.07Å; I187-A226 HydrophobicContact CG2-CB 3.86Å |
| 188 | Q | 93.9 | Very high | 86.4 | Confident | 14 Ų | 14 | 30.3 Ų | 30.3 | 7% | 0.065 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -77.6 | -0.1 | -178.2 | 92.2 | -164.9 | -6.4 | 0 | 0 | 113.6 | E185 L186 Y222 R225 N229 | E185-Q188 VanDerWaalsContact CD-NE2 3.34Å; E185-Q188 VanDerWaalsContact CG-CD 3.42Å; E185-Q188 HydrophobicContact CG-CG 4.23Å; E185-Q188 VanDerWaalsContact O-CG 3.28Å; E185-Q188 WeakPolarHBondContact O-CG 3.37Å; E185-Q188 PolarHBondContact O-N 2.76Å; E185-Q188 PolarHBondContact OE1-NE2 3.4Å; L186-Q188 PolarHBondContact O-N 3.15Å; Q188-Y222 VanDerWaalsContact OE1-CD1 3.29Å; Q188-R225 HydrophobicContact CB-CB 3.8Å; Q188-N229 PolarHBondContact O-ND2 3.12Å |
| 189 | H | 93.3 | Very high | 88.1 | Confident | 27 Ų | 27 | 32.8 Ų | 32.8 | 13% | 0.125 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -120.9 | 0.7 | -176.5 | -59.1 | -47 | 0 | 0 | 0 | 113.2 | S146 L149 Y150 L186 I187 | S146-H189 WeakPolarHBondContact CB-ND1 3.04Å; S146-H189 PolarHBondContact OG-CE1 2.88Å; S146-H189 PolarHBondContact OG-NE2 3.45Å; L149-H189 HydrophobicContact CB-CB 4.26Å; Y150-H189 VanDerWaalsContact CA-O 3.26Å; Y150-H189 WeakPolarHBondContact CA-O 3.45Å; Y150-H189 WeakPolarHBondContact CB-O 3.41Å; Y150-H189 PolarHBondContact N-O 2.86Å; L186-H189 PolarHBondContact O-N 3.29Å; I187-H189 PolarHBondContact O-N 3.25Å |
| 190 | L | 94.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | trans | -77.6 | 142.5 | 178 | -62 | -172.3 | 0 | 0 | 0 | 112.5 | F157 V160 I164 L186 L192 | F157-L190 HydrophobicContact CE2-CD1 4.21Å; V160-L190 HydrophobicContact CG1-CD2 3.55Å; I164-L190 HydrophobicContact CD1-CD1 3.71Å; L186-L190 HydrophobicContact CD1-CD2 3.86Å; L186-L190 HydrophobicContact CG-CD2 3.96Å; L186-L190 WeakPolarHBondContact O-CG 3.37Å; L186-L190 PolarHBondContact O-N 2.85Å; L190-L192 HydrophobicContact CB-CD2 3.76Å; L190-L192 HydrophobicContact CB-CG 3.92Å; L190-L192 HydrophobicContact CD1-CD2 4.03Å; L190-L192 PolarHBondContact O-N 3.19Å | ||
| 191 | N | 94.7 | Very high | 91.3 | Very high | 6 Ų | 6 | 25.9 Ų | 25.9 | 3% | 0.032 | 12% | 0.117 | C | C | . | . | trans | -76.8 | 94.3 | 161.8 | -172.9 | -15.1 | 0 | 0 | 0 | 109.5 | Y150 S153 T154 K196 Y234 | Y150-N191 HydrophobicContact CD2-CB 3.92Å; Y150-N191 HydrophobicContact CE1-CB 4.33Å; Y150-N191 HydrophobicContact CE2-CB 3.59Å; Y150-N191 HydrophobicContact CG-CB 4.44Å; Y150-N191 PolarHBondContact OH-ND2 3.43Å; S153-N191 WeakPolarHBondContact OG-CB 3.37Å; S153-N191 PolarHBondContact OG-N 3.48Å; T154-N191 WeakPolarHBondContact CG2-ND2 3.39Å; T154-N191 PolarHBondContact OG1-ND2 2.89Å; N191-K196 WeakPolarHBondContact O-CD 3.46Å; N191-Y234 PolarHBondContact ND2-OH 3.37Å; N191-Y234 VanDerWaalsContact OD1-CE2 3.25Å; N191-Y234 WeakPolarHBondContact OD1-CE2 3.47Å; N191-Y234 PolarHBondContact OD1-OH 3.1Å | ||
| 192 | L | 95.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.016 | 13% | 0.128 | C | C | . | . | trans | -99.4 | 127.2 | 178 | -57.2 | 178.5 | 0 | 0 | 0 | 110.6 | F157 L190 K196 L197 L200 A226 Y234 | F157-L192 HydrophobicContact CE2-CD2 3.74Å; F157-L192 HydrophobicContact CZ-CD2 4.28Å; L190-L192 HydrophobicContact CB-CD2 3.76Å; L190-L192 HydrophobicContact CB-CG 3.92Å; L190-L192 HydrophobicContact CD1-CD2 4.03Å; L190-L192 PolarHBondContact O-N 3.19Å; L192-K196 HydrophobicContact CB-CB 4.38Å; L192-K196 HydrophobicContact CD2-CB 3.87Å; L192-L197 HydrophobicContact CB-CB 4.46Å; L192-L197 HydrophobicContact CD1-CD1 3.96Å; L192-L200 HydrophobicContact CD1-CD2 3.74Å; L192-L200 HydrophobicContact CD2-CD2 4.49Å; L192-A226 HydrophobicContact CD1-CB 3.93Å; L192-Y234 WeakPolarHBondContact O-CD2 3.44Å; L192-Y234 WeakPolarHBondContact O-CE2 3.44Å | ||
| 193 | D | 94.5 | Very high | 93.8 | Very high | 13 Ų | 13 | 29.2 Ų | 29.2 | 7% | 0.07 | 13% | 0.129 | C | C | . | . | trans | -91.2 | 170.5 | 155.8 | 62.8 | 58.4 | 0 | 0 | 0 | 109.2 | R195 K196 L197 | D193-R195 PolarHBondContact O-N 3.03Å; D193-R195 VanDerWaalsContact O-N 3.13Å; D193-R195 WeakPolarHBondContact OD1-CB 3.39Å; D193-R195 PolarHBondContact OD1-N 2.79Å; D193-R195 IonicContact OD1-NE 3.72Å; D193-K196 WeakPolarHBondContact O-CB 3.44Å; D193-K196 PolarHBondContact O-N 3.13Å; D193-K196 PolarHBondContact OD1-N 3.1Å; D193-K196 VanDerWaalsContact OD2-CD 3.28Å; D193-K196 WeakPolarHBondContact OD2-CD 3.29Å; D193-K196 WeakPolarHBondContact OD2-CE 3.49Å; D193-K196 WeakPolarHBondContact OD2-CG 3.22Å; D193-K196 IonicContact OD2-NZ 2.7Å; D193-K196 PolarHBondContact OD2-NZ 3.27Å; D193-L197 WeakPolarHBondContact O-CB 3.36Å; D193-L197 PolarHBondContact O-N 3.08Å | ||
| 194 | M | 94.2 | Very high | 94.3 | Very high | 26 Ų | 26 | 28.7 Ų | 28.7 | 13% | 0.128 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -54.9 | -34.7 | -175.8 | -178.9 | 165.8 | 54.4 | 0 | 0 | 113.6 | S198 W230 E237 L241 I246 L249 | M194-S198 WeakPolarHBondContact O-CB 3.31Å; M194-S198 PolarHBondContact O-N 2.88Å; M194-S198 PolarHBondContact O-OG 2.92Å; M194-W230 HydrophobicContact CB-CZ2 3.99Å; M194-W230 HydrophobicContact CG-CZ2 4.19Å; M194-W230 HydrophobicContact SD-CZ2 4.21Å; M194-E237 VanDerWaalsContact CB-OE2 3.28Å; M194-E237 WeakPolarHBondContact CB-OE2 3.34Å; M194-E237 HydrophobicContact CE-CB 4.49Å; M194-E237 PolarHBondContact N-OE2 3.31Å; M194-L241 HydrophobicContact SD-CB 4.18Å; M194-L241 HydrophobicContact SD-CD1 4.16Å; M194-L241 HydrophobicContact SD-CD2 4.35Å; M194-L241 HydrophobicContact SD-CG 4.46Å; M194-I246 HydrophobicContact CE-CD1 3.57Å; M194-I246 HydrophobicContact SD-CD1 3.69Å; M194-L249 HydrophobicContact CG-CD2 4.22Å; M194-L249 HydrophobicContact SD-CD2 4.42Å |
| 195 | R | 93.9 | Very high | 94.5 | Very high | 194 Ų | 194 | 28.8 Ų | 28.8 | 73% | 0.732 | 13% | 0.128 | S | C | * | . | H | α-helix | trans | -76 | -40.2 | 178.2 | -60 | 173.9 | -63 | 156.9 | 2.8 | 111.4 | D193 L197 S198 R199 | D193-R195 PolarHBondContact O-N 3.03Å; D193-R195 VanDerWaalsContact O-N 3.13Å; D193-R195 WeakPolarHBondContact OD1-CB 3.39Å; D193-R195 PolarHBondContact OD1-N 2.79Å; D193-R195 IonicContact OD1-NE 3.72Å; R195-L197 VanDerWaalsContact C-N 3.31Å; R195-S198 PolarHBondContact O-N 2.81Å; R195-R199 WeakPolarHBondContact O-CB 3.33Å; R195-R199 PolarHBondContact O-N 2.74Å |
| 196 | K | 95.8 | Very high | 94.8 | Very high | 38 Ų | 38 | 32 Ų | 32 | 17% | 0.165 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.9 | -40.1 | 172.5 | -66.1 | 172.7 | -174.5 | 130.4 | 0 | 111.2 | F157 N191 L192 D193 L200 | F157-K196 HydrophobicContact CD1-CD 4.17Å; F157-K196 HydrophobicContact CD1-CG 4.01Å; F157-K196 HydrophobicContact CD2-CD 3.65Å; F157-K196 HydrophobicContact CD2-CG 4.18Å; F157-K196 HydrophobicContact CE1-CB 4.15Å; F157-K196 HydrophobicContact CE1-CD 4.28Å; F157-K196 HydrophobicContact CE1-CG 3.75Å; F157-K196 HydrophobicContact CE2-CB 3.94Å; F157-K196 HydrophobicContact CE2-CD 3.77Å; F157-K196 HydrophobicContact CE2-CG 3.93Å; F157-K196 HydrophobicContact CG-CD 3.85Å; F157-K196 HydrophobicContact CG-CG 4.21Å; F157-K196 HydrophobicContact CZ-CB 3.65Å; F157-K196 HydrophobicContact CZ-CD 4.08Å; F157-K196 HydrophobicContact CZ-CG 3.7Å; N191-K196 WeakPolarHBondContact O-CD 3.46Å; L192-K196 HydrophobicContact CB-CB 4.38Å; L192-K196 HydrophobicContact CD2-CB 3.87Å; D193-K196 WeakPolarHBondContact O-CB 3.44Å; D193-K196 PolarHBondContact O-N 3.13Å; D193-K196 PolarHBondContact OD1-N 3.1Å; D193-K196 VanDerWaalsContact OD2-CD 3.28Å; D193-K196 WeakPolarHBondContact OD2-CD 3.29Å; D193-K196 WeakPolarHBondContact OD2-CE 3.49Å; D193-K196 WeakPolarHBondContact OD2-CG 3.22Å; D193-K196 IonicContact OD2-NZ 2.7Å; D193-K196 PolarHBondContact OD2-NZ 3.27Å; K196-L200 WeakPolarHBondContact O-CB 3.43Å; K196-L200 PolarHBondContact O-N 2.77Å |
| 197 | L | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.5 | -49.2 | 176.4 | -179.1 | 60.9 | 0 | 0 | 0 | 111.5 | L192 D193 R195 R199 L200 I201 I227 W230 | L192-L197 HydrophobicContact CB-CB 4.46Å; L192-L197 HydrophobicContact CD1-CD1 3.96Å; D193-L197 WeakPolarHBondContact O-CB 3.36Å; D193-L197 PolarHBondContact O-N 3.08Å; R195-L197 VanDerWaalsContact C-N 3.31Å; L197-R199 VanDerWaalsContact C-N 3.33Å; L197-R199 PolarHBondContact O-N 3.03Å; L197-L200 WeakPolarHBondContact O-CB 3.45Å; L197-L200 PolarHBondContact O-N 2.87Å; L197-L200 VanDerWaalsContact O-N 3.12Å; L197-I201 HydrophobicContact CD1-CD1 4.01Å; L197-I201 HydrophobicContact CD1-CG1 4.31Å; L197-I201 HydrophobicContact CG-CD1 4Å; L197-I201 WeakPolarHBondContact O-CG1 3.38Å; L197-I201 PolarHBondContact O-N 3.15Å; L197-I227 HydrophobicContact CD1-CG1 4.13Å; L197-I227 HydrophobicContact CD2-CG1 4.39Å; L197-W230 HydrophobicContact CD2-CB 4.22Å; L197-W230 HydrophobicContact CD2-CD2 3.81Å; L197-W230 HydrophobicContact CD2-CE3 3.85Å; L197-W230 HydrophobicContact CD2-CG 3.98Å |
| 198 | S | 95.3 | Very high | 94.6 | Very high | 27 Ų | 27 | 36.6 Ų | 36.6 | 19% | 0.189 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54.6 | -47.8 | 175.2 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | M194 R195 L200 I201 L202 | M194-S198 WeakPolarHBondContact O-CB 3.31Å; M194-S198 PolarHBondContact O-N 2.88Å; M194-S198 PolarHBondContact O-OG 2.92Å; R195-S198 PolarHBondContact O-N 2.81Å; S198-L200 VanDerWaalsContact C-N 3.34Å; S198-L200 PolarHBondContact O-N 3.37Å; S198-I201 PolarHBondContact O-N 3.16Å; S198-L202 WeakPolarHBondContact O-CB 3.41Å; S198-L202 PolarHBondContact O-N 2.96Å |
| 199 | R | 95.5 | Very high | 94.4 | Very high | 105 Ų | 105 | 46.4 Ų | 46.4 | 40% | 0.396 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.5 | -36.8 | 177.7 | -177.9 | 178.8 | 170.8 | -161.5 | -5.6 | 113 | N158 F161 R195 L197 E203 | N158-R199 PolarHBondContact OD1-NH1 3.3Å; F161-R199 HydrophobicContact CE1-CG 4.39Å; F161-R199 HydrophobicContact CE2-CG 4.44Å; F161-R199 HydrophobicContact CZ-CG 3.92Å; R195-R199 WeakPolarHBondContact O-CB 3.33Å; R195-R199 PolarHBondContact O-N 2.74Å; L197-R199 VanDerWaalsContact C-N 3.33Å; L197-R199 PolarHBondContact O-N 3.03Å; R199-E203 PolarHBondContact O-N 3.01Å; R199-E203 VanDerWaalsContact O-N 3.17Å |
| 200 | L | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.9 | -47.6 | 176.7 | 176.9 | 64.5 | 0 | 0 | 0 | 111.8 | F161 I164 I187 L192 K196 L197 S198 L202 E203 I204 L223 | F161-L200 HydrophobicContact CE2-CB 4.12Å; F161-L200 HydrophobicContact CE2-CD1 4.01Å; I164-L200 HydrophobicContact CD1-CD1 4.07Å; I164-L200 HydrophobicContact CG2-CD1 4.28Å; I187-L200 HydrophobicContact CD1-CD1 4.47Å; I187-L200 HydrophobicContact CG1-CD1 4.26Å; I187-L200 HydrophobicContact CG2-CD2 4Å; L192-L200 HydrophobicContact CD1-CD2 3.74Å; L192-L200 HydrophobicContact CD2-CD2 4.49Å; K196-L200 WeakPolarHBondContact O-CB 3.43Å; K196-L200 PolarHBondContact O-N 2.77Å; L197-L200 WeakPolarHBondContact O-CB 3.45Å; L197-L200 PolarHBondContact O-N 2.87Å; L197-L200 VanDerWaalsContact O-N 3.12Å; S198-L200 VanDerWaalsContact C-N 3.34Å; S198-L200 PolarHBondContact O-N 3.37Å; L200-L202 VanDerWaalsContact C-N 3.32Å; L200-L202 PolarHBondContact O-N 3.31Å; L200-E203 PolarHBondContact O-N 3.18Å; L200-I204 HydrophobicContact CD1-CD1 3.82Å; L200-I204 HydrophobicContact CG-CD1 4.03Å; L200-I204 WeakPolarHBondContact O-CG1 3.36Å; L200-I204 PolarHBondContact O-N 3.45Å; L200-I204 VanDerWaalsContact O-N 3.12Å; L200-L223 HydrophobicContact CD2-CD2 4.1Å; L200-L223 HydrophobicContact CG-CD2 4.35Å |
| 201 | I | 96.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.8 | -43.6 | 178.2 | -67 | 171 | 0 | 0 | 0 | 110.1 | L197 S198 I204 C205 L249 C252 L256 | L197-I201 HydrophobicContact CD1-CD1 4.01Å; L197-I201 HydrophobicContact CD1-CG1 4.31Å; L197-I201 HydrophobicContact CG-CD1 4Å; L197-I201 WeakPolarHBondContact O-CG1 3.38Å; L197-I201 PolarHBondContact O-N 3.15Å; S198-I201 PolarHBondContact O-N 3.16Å; I201-I204 PolarHBondContact O-N 3.23Å; I201-C205 WeakPolarHBondContact O-CB 3.35Å; I201-C205 PolarHBondContact O-N 2.94Å; I201-C205 PolarHBondContact O-SG 3.24Å; I201-L249 HydrophobicContact CD1-CD1 4.35Å; I201-C252 HydrophobicContact CG2-CB 3.91Å; I201-C252 WeakPolarHBondContact CG2-O 3.37Å; I201-C252 WeakPolarHBondContact CG2-SG 3.23Å; I201-L256 HydrophobicContact CG2-CB 4.3Å; I201-L256 HydrophobicContact CG2-CD2 3.97Å |
| 202 | L | 95.6 | Very high | 93.4 | Very high | 82 Ų | 82 | 51.3 Ų | 51.3 | 43% | 0.429 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63 | -45.6 | 178.8 | -178.4 | 59.4 | 0 | 0 | 0 | 113.3 | S198 L200 I204 C205 N206 | S198-L202 WeakPolarHBondContact O-CB 3.41Å; S198-L202 PolarHBondContact O-N 2.96Å; L200-L202 VanDerWaalsContact C-N 3.32Å; L200-L202 PolarHBondContact O-N 3.31Å; L202-I204 VanDerWaalsContact C-N 3.34Å; L202-I204 PolarHBondContact O-N 3.23Å; L202-C205 WeakPolarHBondContact O-CB 3.28Å; L202-C205 PolarHBondContact O-N 3Å; L202-N206 VanDerWaalsContact O-CG 3.26Å; L202-N206 PolarHBondContact O-N 3.48Å; L202-N206 PolarHBondContact O-ND2 3.28Å |
| 203 | E | 95.1 | Very high | 92.7 | Very high | 37 Ų | 37 | 56 Ų | 56 | 17% | 0.173 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.5 | -42.3 | 176.7 | -178.8 | 62.7 | -163.4 | 0 | 0 | 111.2 | F161 P165 L168 R199 L200 N206 R207 | F161-E203 HydrophobicContact CZ-CB 4.39Å; P165-E203 HydrophobicContact CG-CG 4.18Å; L168-E203 HydrophobicContact CD1-CG 4.41Å; R199-E203 PolarHBondContact O-N 3.01Å; R199-E203 VanDerWaalsContact O-N 3.17Å; L200-E203 PolarHBondContact O-N 3.18Å; E203-N206 WeakPolarHBondContact O-CB 3.3Å; E203-N206 PolarHBondContact O-N 2.83Å; E203-N206 VanDerWaalsContact O-N 3.12Å; E203-R207 WeakPolarHBondContact O-CG 3.2Å; E203-R207 PolarHBondContact O-N 3.21Å; E203-R207 IonicContact OE1-CZ 3.65Å; E203-R207 VanDerWaalsContact OE1-CZ 3.23Å; E203-R207 IonicContact OE1-NE 3.93Å; E203-R207 PolarHBondContact OE1-NE 3.4Å; E203-R207 IonicContact OE1-NH2 2.68Å; E203-R207 PolarHBondContact OE1-NH2 3.27Å |
| 204 | I | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 176.7 | -69.3 | 166.6 | 0 | 0 | 0 | 110.7 | L168 I187 L200 I201 L202 N206 R207 F208 L219 L223 L256 | L168-I204 HydrophobicContact CD1-CG1 4Å; I187-I204 HydrophobicContact CD1-CD1 4Å; L200-I204 HydrophobicContact CD1-CD1 3.82Å; L200-I204 HydrophobicContact CG-CD1 4.03Å; L200-I204 WeakPolarHBondContact O-CG1 3.36Å; L200-I204 PolarHBondContact O-N 3.45Å; L200-I204 VanDerWaalsContact O-N 3.12Å; I201-I204 PolarHBondContact O-N 3.23Å; L202-I204 VanDerWaalsContact C-N 3.34Å; L202-I204 PolarHBondContact O-N 3.23Å; I204-N206 PolarHBondContact O-N 3.36Å; I204-R207 PolarHBondContact O-N 3.12Å; I204-R207 VanDerWaalsContact O-N 3.16Å; I204-F208 HydrophobicContact CG2-CD2 4.21Å; I204-F208 WeakPolarHBondContact O-CA 3.45Å; I204-F208 WeakPolarHBondContact O-CB 3.48Å; I204-F208 PolarHBondContact O-N 3.26Å; I204-L219 HydrophobicContact CD1-CD2 4.39Å; I204-L219 HydrophobicContact CG2-CD1 4.41Å; I204-L223 HydrophobicContact CD1-CD1 4.01Å; I204-L223 HydrophobicContact CD1-CD2 3.81Å; I204-L223 HydrophobicContact CD1-CG 4.24Å; I204-L223 HydrophobicContact CG2-CD1 4.36Å; I204-L256 HydrophobicContact CG2-CD1 4.29Å |
| 205 | C | 94.7 | Very high | 91.7 | Very high | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.034 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.8 | -31.4 | 172.9 | -74.8 | 0 | 0 | 0 | 0 | 113.5 | I201 L202 C252 R255 | I201-C205 WeakPolarHBondContact O-CB 3.35Å; I201-C205 PolarHBondContact O-N 2.94Å; I201-C205 PolarHBondContact O-SG 3.24Å; L202-C205 WeakPolarHBondContact O-CB 3.28Å; L202-C205 PolarHBondContact O-N 3Å; C205-C252 PolarHBondContact SG-O 2.92Å; C205-C252 VanDerWaalsContact SG-O 3.42Å; C205-R255 VanDerWaalsContact C-NH2 3.29Å; C205-R255 HydrophobicContact CB-CG 4.27Å; C205-R255 PolarHBondContact O-NH2 3.47Å |
| 206 | N | 93.3 | Very high | 91.5 | Very high | 88 Ų | 88 | 49.9 Ų | 49.9 | 47% | 0.471 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -79.5 | -32 | 177.9 | -68.3 | -27.3 | 0 | 0 | 0 | 112.7 | L202 E203 I204 R255 | L202-N206 VanDerWaalsContact O-CG 3.26Å; L202-N206 PolarHBondContact O-N 3.48Å; L202-N206 PolarHBondContact O-ND2 3.28Å; E203-N206 WeakPolarHBondContact O-CB 3.3Å; E203-N206 PolarHBondContact O-N 2.83Å; E203-N206 VanDerWaalsContact O-N 3.12Å; I204-N206 PolarHBondContact O-N 3.36Å; N206-R255 PolarHBondContact OD1-NH1 3.27Å; N206-R255 PolarHBondContact OD1-NH2 3.17Å |
| 207 | R | 91.9 | Very high | 91.2 | Very high | 100 Ų | 100 | 49.9 Ų | 49.9 | 38% | 0.377 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -89.1 | -22.7 | 176.8 | -57.1 | -61.3 | 172.5 | -179.2 | -5.6 | 114.5 | L168 E203 I204 R209 S210 | L168-R207 HydrophobicContact CB-CB 4.25Å; L168-R207 HydrophobicContact CB-CG 4.06Å; L168-R207 HydrophobicContact CD1-CB 4.24Å; L168-R207 HydrophobicContact CD1-CG 3.94Å; E203-R207 WeakPolarHBondContact O-CG 3.2Å; E203-R207 PolarHBondContact O-N 3.21Å; E203-R207 IonicContact OE1-CZ 3.65Å; E203-R207 VanDerWaalsContact OE1-CZ 3.23Å; E203-R207 IonicContact OE1-NE 3.93Å; E203-R207 PolarHBondContact OE1-NE 3.4Å; E203-R207 IonicContact OE1-NH2 2.68Å; E203-R207 PolarHBondContact OE1-NH2 3.27Å; I204-R207 PolarHBondContact O-N 3.12Å; I204-R207 VanDerWaalsContact O-N 3.16Å; R207-R209 VanDerWaalsContact C-N 3.29Å; R207-R209 PolarHBondContact O-N 3.35Å; R207-S210 PolarHBondContact O-N 3.05Å; R207-S210 PolarHBondContact O-OG 3.49Å |
| 208 | F | 91.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -46.8 | -46.1 | -162.5 | -160.5 | -85.5 | 0 | 0 | 0 | 114.9 | I204 S210 L211 W216 L256 L259 F260 | I204-F208 HydrophobicContact CG2-CD2 4.21Å; I204-F208 WeakPolarHBondContact O-CA 3.45Å; I204-F208 WeakPolarHBondContact O-CB 3.48Å; I204-F208 PolarHBondContact O-N 3.26Å; F208-S210 VanDerWaalsContact C-N 3.29Å; F208-S210 PolarHBondContact O-N 3.01Å; F208-L211 WeakPolarHBondContact O-CB 3.31Å; F208-L211 PolarHBondContact O-N 3.41Å; F208-W216 HydrophobicContact CD1-CD2 4.34Å; F208-W216 HydrophobicContact CD1-CZ2 4.42Å; F208-W216 AromaticContact CE1-CD2 3.52Å; F208-W216 HydrophobicContact CE1-CD2 3.52Å; F208-W216 AromaticContact CE1-CE2 3.71Å; F208-W216 AromaticContact CE1-CE3 3.78Å; F208-W216 HydrophobicContact CE1-CE3 3.78Å; F208-W216 AromaticContact CE1-CG 3.88Å; F208-W216 HydrophobicContact CE1-CG 3.88Å; F208-W216 HydrophobicContact CE1-CH2 4.44Å; F208-W216 HydrophobicContact CE1-CZ2 4.2Å; F208-W216 HydrophobicContact CE1-CZ3 4.23Å; F208-W216 HydrophobicContact CZ-CB 4.06Å; F208-W216 AromaticContact CZ-CD2 3.88Å; F208-W216 HydrophobicContact CZ-CD2 3.88Å; F208-W216 HydrophobicContact CZ-CE3 4.21Å; F208-W216 AromaticContact CZ-CG 3.79Å; F208-W216 HydrophobicContact CZ-CG 3.79Å; F208-W216 PolarHBondContact O-NE1 3.28Å; F208-L256 HydrophobicContact CD2-CD1 4.05Å; F208-L256 HydrophobicContact CE2-CD1 4.13Å; F208-L259 HydrophobicContact CB-CD1 3.83Å; F208-L259 HydrophobicContact CB-CD2 4.48Å; F208-L259 HydrophobicContact CD1-CB 3.96Å; F208-L259 HydrophobicContact CD1-CD1 4.31Å; F208-L259 HydrophobicContact CD1-CD2 4.01Å; F208-L259 HydrophobicContact CD1-CG 4.32Å; F208-L259 HydrophobicContact CD2-CD1 4.47Å; F208-L259 HydrophobicContact CE1-CB 3.99Å; F208-L259 HydrophobicContact CG-CB 4.26Å; F208-L259 HydrophobicContact CG-CD1 3.97Å; F208-L259 HydrophobicContact CG-CD2 4.44Å; F208-L259 HydrophobicContact CG-CG 4.46Å; F208-L259 HydrophobicContact CZ-CB 4.33Å; F208-F260 HydrophobicContact CE2-CD1 4.41Å; F208-F260 HydrophobicContact CE2-CD2 4.19Å; F208-F260 AromaticContact CE2-CE1 3.98Å; F208-F260 HydrophobicContact CE2-CE1 3.98Å; F208-F260 AromaticContact CE2-CE2 3.75Å; F208-F260 HydrophobicContact CE2-CE2 3.75Å; F208-F260 AromaticContact CE2-CZ 3.64Å; F208-F260 HydrophobicContact CE2-CZ 3.64Å; F208-F260 HydrophobicContact CZ-CD1 4Å; F208-F260 HydrophobicContact CZ-CD2 4.4Å; F208-F260 AromaticContact CZ-CE1 3.85Å; F208-F260 HydrophobicContact CZ-CE1 3.85Å; F208-F260 HydrophobicContact CZ-CE2 4.28Å; F208-F260 HydrophobicContact CZ-CG 4.27Å; F208-F260 HydrophobicContact CZ-CZ 4.01Å |
| 209 | R | 89.2 | Confident | 90.7 | Very high | 220 Ų | 220 | 53 Ų | 53 | 83% | 0.83 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -71.6 | -15 | -173.8 | -66 | -169.3 | 179.4 | -153 | 2.9 | 114.8 | R207 L259 | R207-R209 VanDerWaalsContact C-N 3.29Å; R207-R209 PolarHBondContact O-N 3.35Å; R209-L259 HydrophobicContact CG-CD2 4Å |
| 210 | S | 88.6 | Confident | 90.7 | Very high | 70 Ų | 70 | 48 Ų | 48 | 49% | 0.49 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -93.3 | -7.3 | 172.8 | 61.2 | 0 | 0 | 0 | 0 | 113.6 | A172 R207 F208 | A172-S210 WeakPolarHBondContact CA-O 3.31Å; A172-S210 WeakPolarHBondContact CB-O 3.32Å; R207-S210 PolarHBondContact O-N 3.05Å; R207-S210 PolarHBondContact O-OG 3.49Å; F208-S210 VanDerWaalsContact C-N 3.29Å; F208-S210 PolarHBondContact O-N 3.01Å |
| 211 | L | 88.6 | Confident | 90.6 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -83 | 154.1 | -179 | -55.9 | 173.5 | 0 | 0 | 0 | 111.7 | L168 A171 F208 W216 L219 | L168-L211 HydrophobicContact CB-CD2 4.32Å; L168-L211 HydrophobicContact CD2-CD1 3.88Å; L168-L211 HydrophobicContact CD2-CD2 4.15Å; L168-L211 WeakPolarHBondContact O-CD2 3.37Å; A171-L211 HydrophobicContact CB-CD2 4.31Å; F208-L211 WeakPolarHBondContact O-CB 3.31Å; F208-L211 PolarHBondContact O-N 3.41Å; L211-W216 PolarHBondContact O-NE1 3.12Å; L211-L219 HydrophobicContact CD1-CD1 3.52Å |
| 212 | K | 83.9 | Confident | 90.5 | Very high | 59 Ų | 59 | 50.4 Ų | 50.4 | 26% | 0.257 | 24% | 0.242 | S | C | . | . | trans | -74.9 | 149.6 | 174.8 | -62 | -176.5 | 179.3 | -173.8 | 0 | 111.4 | D174 E175 S214 T215 W216 | D174-K212 PolarHBondContact O-NZ 3.06Å; D174-K212 IonicContact OD1-NZ 3.49Å; E175-K212 HydrophobicContact CG-CD 4.27Å; K212-S214 PolarHBondContact O-N 3.47Å; K212-S214 VanDerWaalsContact O-N 3.15Å; K212-T215 WeakPolarHBondContact O-CA 3.04Å; K212-T215 VanDerWaalsContact O-CB 3.26Å; K212-T215 WeakPolarHBondContact O-CB 3.48Å; K212-T215 PolarHBondContact O-N 3.18Å; K212-T215 PolarHBondContact O-OG1 3.26Å; K212-W216 PolarHBondContact O-N 3.04Å | ||
| 213 | K | 82.3 | Confident | 90.6 | Very high | 101 Ų | 101 | 46.5 Ų | 46.5 | 44% | 0.439 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.6 | -25.2 | -177.7 | -68.8 | -172.7 | -178.5 | -178.3 | 0 | 114.1 | W216 E266 | K213-W216 HydrophobicContact CG-CD2 4.37Å; K213-W216 HydrophobicContact CG-CE3 4.13Å; K213-W216 HydrophobicContact CG-CH2 4.18Å; K213-W216 HydrophobicContact CG-CZ2 4.41Å; K213-W216 HydrophobicContact CG-CZ3 4.04Å; K213-E266 IonicContact NZ-OE1 3.95Å; K213-E266 PolarHBondContact NZ-OE1 2.99Å; K213-E266 IonicContact NZ-OE2 2.7Å |
| 214 | S | 79.4 | Confident | 90.7 | Very high | 62 Ų | 62 | 46.4 Ų | 46.4 | 43% | 0.434 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.3 | -46.4 | 170.7 | 43.7 | 0 | 0 | 0 | 0 | 111.3 | K212 W216 L217 H218 | K212-S214 PolarHBondContact O-N 3.47Å; K212-S214 VanDerWaalsContact O-N 3.15Å; S214-W216 VanDerWaalsContact C-N 3.3Å; S214-W216 PolarHBondContact O-N 3.44Å; S214-L217 PolarHBondContact O-N 3.26Å; S214-H218 PolarHBondContact O-N 3.39Å; S214-H218 PolarHBondContact O-ND1 2.95Å |
| 215 | T | 87.5 | Confident | 90.8 | Very high | 11 Ų | 11 | 52 Ų | 52 | 7% | 0.067 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.2 | -37.8 | 175 | -40.4 | 0 | 0 | 0 | 0 | 112 | A171 L184 K212 L217 H218 L219 | A171-T215 HydrophobicContact CB-CG2 4.06Å; L184-T215 HydrophobicContact CD1-CG2 3.58Å; K212-T215 WeakPolarHBondContact O-CA 3.04Å; K212-T215 VanDerWaalsContact O-CB 3.26Å; K212-T215 WeakPolarHBondContact O-CB 3.48Å; K212-T215 PolarHBondContact O-N 3.18Å; K212-T215 PolarHBondContact O-OG1 3.26Å; T215-L217 VanDerWaalsContact C-N 3.32Å; T215-L217 PolarHBondContact O-N 2.83Å; T215-H218 PolarHBondContact O-N 3.02Å; T215-L219 HydrophobicContact CG2-CD1 4.23Å; T215-L219 HydrophobicContact CG2-CG 4.45Å; T215-L219 WeakPolarHBondContact O-CG 3.5Å; T215-L219 PolarHBondContact O-N 2.69Å |
| 216 | W | 89.6 | Confident | 90.9 | Very high | 33 Ų | 33 | 51.8 Ų | 51.8 | 13% | 0.125 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.8 | -42 | 178.2 | -57.5 | -0.8 | 0 | 0 | 0 | 112.1 | F208 L211 K212 K213 S214 L219 A220 F260 L263 | F208-W216 HydrophobicContact CD1-CD2 4.34Å; F208-W216 HydrophobicContact CD1-CZ2 4.42Å; F208-W216 AromaticContact CE1-CD2 3.52Å; F208-W216 HydrophobicContact CE1-CD2 3.52Å; F208-W216 AromaticContact CE1-CE2 3.71Å; F208-W216 AromaticContact CE1-CE3 3.78Å; F208-W216 HydrophobicContact CE1-CE3 3.78Å; F208-W216 AromaticContact CE1-CG 3.88Å; F208-W216 HydrophobicContact CE1-CG 3.88Å; F208-W216 HydrophobicContact CE1-CH2 4.44Å; F208-W216 HydrophobicContact CE1-CZ2 4.2Å; F208-W216 HydrophobicContact CE1-CZ3 4.23Å; F208-W216 HydrophobicContact CZ-CB 4.06Å; F208-W216 AromaticContact CZ-CD2 3.88Å; F208-W216 HydrophobicContact CZ-CD2 3.88Å; F208-W216 HydrophobicContact CZ-CE3 4.21Å; F208-W216 AromaticContact CZ-CG 3.79Å; F208-W216 HydrophobicContact CZ-CG 3.79Å; F208-W216 PolarHBondContact O-NE1 3.28Å; L211-W216 PolarHBondContact O-NE1 3.12Å; K212-W216 PolarHBondContact O-N 3.04Å; K213-W216 HydrophobicContact CG-CD2 4.37Å; K213-W216 HydrophobicContact CG-CE3 4.13Å; K213-W216 HydrophobicContact CG-CH2 4.18Å; K213-W216 HydrophobicContact CG-CZ2 4.41Å; K213-W216 HydrophobicContact CG-CZ3 4.04Å; S214-W216 VanDerWaalsContact C-N 3.3Å; S214-W216 PolarHBondContact O-N 3.44Å; W216-L219 PolarHBondContact O-N 2.95Å; W216-A220 PolarHBondContact O-N 3.48Å; W216-F260 HydrophobicContact CB-CE1 4.43Å; W216-F260 VanDerWaalsContact O-CE1 3.32Å; W216-F260 WeakPolarHBondContact O-CE1 3.27Å; W216-L263 HydrophobicContact CB-CD2 3.9Å; W216-L263 HydrophobicContact CE3-CB 4.21Å; W216-L263 HydrophobicContact CE3-CD1 3.88Å; W216-L263 HydrophobicContact CE3-CD2 4.07Å; W216-L263 HydrophobicContact CE3-CG 4.27Å; W216-L263 HydrophobicContact CZ3-CD1 4.32Å |
| 217 | L | 89.1 | Confident | 91.2 | Very high | 38 Ų | 38 | 47.7 Ų | 47.7 | 20% | 0.199 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.3 | -36.7 | -180 | -68 | 173.1 | 0 | 0 | 0 | 112.7 | S214 T215 A220 L263 K270 L273 V274 | S214-L217 PolarHBondContact O-N 3.26Å; T215-L217 VanDerWaalsContact C-N 3.32Å; T215-L217 PolarHBondContact O-N 2.83Å; L217-A220 WeakPolarHBondContact O-CB 3.35Å; L217-A220 PolarHBondContact O-N 3.27Å; L217-L263 HydrophobicContact CD2-CD2 3.67Å; L217-L263 HydrophobicContact CD2-CG 4.41Å; L217-L263 HydrophobicContact CG-CD2 4.17Å; L217-K270 HydrophobicContact CD2-CB 4.24Å; L217-K270 HydrophobicContact CD2-CG 4.14Å; L217-L273 HydrophobicContact CB-CD1 4.39Å; L217-L273 HydrophobicContact CD2-CD1 4.31Å; L217-V274 HydrophobicContact CD2-CG2 4.14Å |
| 218 | H | 88.8 | Confident | 91.4 | Very high | 93 Ų | 93 | 43.8 Ų | 43.8 | 43% | 0.431 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -68.2 | -44.8 | 174.5 | -65.9 | 90.9 | 0 | 0 | 0 | 111.2 | S214 T215 A220 V221 Y222 | S214-H218 PolarHBondContact O-N 3.39Å; S214-H218 PolarHBondContact O-ND1 2.95Å; T215-H218 PolarHBondContact O-N 3.02Å; H218-A220 PolarHBondContact O-N 3.08Å; H218-V221 PolarHBondContact O-N 3.39Å; H218-Y222 HydrophobicContact CB-CD2 4.3Å; H218-Y222 HydrophobicContact CB-CE2 3.74Å; H218-Y222 WeakPolarHBondContact O-CD2 3.33Å; H218-Y222 PolarHBondContact O-N 3.19Å |
| 219 | L | 93.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59 | -32.5 | 174.8 | -75.9 | 173.8 | 0 | 0 | 0 | 113 | L168 L184 I187 I204 L211 T215 W216 L223 | L168-L219 HydrophobicContact CD2-CD1 4.13Å; L168-L219 HydrophobicContact CD2-CD2 4.45Å; L184-L219 HydrophobicContact CD1-CD2 4.42Å; I187-L219 HydrophobicContact CD1-CD2 3.67Å; I204-L219 HydrophobicContact CD1-CD2 4.39Å; I204-L219 HydrophobicContact CG2-CD1 4.41Å; L211-L219 HydrophobicContact CD1-CD1 3.52Å; T215-L219 HydrophobicContact CG2-CD1 4.23Å; T215-L219 HydrophobicContact CG2-CG 4.45Å; T215-L219 WeakPolarHBondContact O-CG 3.5Å; T215-L219 PolarHBondContact O-N 2.69Å; W216-L219 PolarHBondContact O-N 2.95Å; L219-L223 VanDerWaalsContact O-CB 3.25Å; L219-L223 WeakPolarHBondContact O-CB 3.31Å; L219-L223 VanDerWaalsContact O-CG 3.31Å; L219-L223 WeakPolarHBondContact O-CG 3.49Å; L219-L223 PolarHBondContact O-N 3Å |
| 220 | A | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.7 | -49.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | W216 L217 H218 E224 F260 V274 L277 | W216-A220 PolarHBondContact O-N 3.48Å; L217-A220 WeakPolarHBondContact O-CB 3.35Å; L217-A220 PolarHBondContact O-N 3.27Å; H218-A220 PolarHBondContact O-N 3.08Å; A220-E224 PolarHBondContact O-N 3.44Å; A220-F260 HydrophobicContact CB-CE1 3.77Å; A220-F260 HydrophobicContact CB-CZ 3.88Å; A220-V274 HydrophobicContact CB-CG2 4.12Å; A220-L277 HydrophobicContact CB-CD2 4.24Å |
| 221 | V | 94.1 | Very high | 92.3 | Very high | 38 Ų | 38 | 32.2 Ų | 32.2 | 23% | 0.23 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.8 | -42.2 | 179.9 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | H218 E224 R225 L273 | H218-V221 PolarHBondContact O-N 3.39Å; V221-E224 PolarHBondContact O-N 3.34Å; V221-R225 WeakPolarHBondContact O-CG 3.5Å; V221-R225 PolarHBondContact O-N 3.06Å; V221-R225 VanDerWaalsContact O-N 3.12Å; V221-L273 HydrophobicContact CG2-CB 4.47Å; V221-L273 HydrophobicContact CG2-CD2 4.09Å |
| 222 | Y | 95.3 | Very high | 92.6 | Very high | 12 Ų | 12 | 35.6 Ų | 35.6 | 5% | 0.047 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.8 | -37.9 | 179.9 | -57.9 | -26.7 | 0 | 0 | 0 | 112.1 | L184 E185 Q188 H218 A226 | L184-Y222 HydrophobicContact CB-CD2 4.38Å; L184-Y222 HydrophobicContact CB-CE2 4.31Å; E185-Y222 HydrophobicContact CB-CD1 4.46Å; E185-Y222 HydrophobicContact CB-CE1 3.84Å; E185-Y222 HydrophobicContact CB-CE2 3.91Å; E185-Y222 HydrophobicContact CG-CD1 4.06Å; E185-Y222 HydrophobicContact CG-CE1 3.49Å; E185-Y222 VanDerWaalsContact CG-CE1 3.49Å; E185-Y222 HydrophobicContact CG-CE2 4.47Å; E185-Y222 PolarHBondContact OE2-OH 3.34Å; Q188-Y222 VanDerWaalsContact OE1-CD1 3.29Å; H218-Y222 HydrophobicContact CB-CD2 4.3Å; H218-Y222 HydrophobicContact CB-CE2 3.74Å; H218-Y222 WeakPolarHBondContact O-CD2 3.33Å; H218-Y222 PolarHBondContact O-N 3.19Å; Y222-A226 WeakPolarHBondContact O-CB 3.48Å; Y222-A226 PolarHBondContact O-N 3.14Å |
| 223 | L | 96.8 | Very high | 93 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73.2 | -37 | 176.4 | -75 | 171.2 | 0 | 0 | 0 | 113.1 | I187 L200 I204 L219 R225 A226 I227 L256 L277 | I187-L223 HydrophobicContact CG2-CD2 4.07Å; L200-L223 HydrophobicContact CD2-CD2 4.1Å; L200-L223 HydrophobicContact CG-CD2 4.35Å; I204-L223 HydrophobicContact CD1-CD1 4.01Å; I204-L223 HydrophobicContact CD1-CD2 3.81Å; I204-L223 HydrophobicContact CD1-CG 4.24Å; I204-L223 HydrophobicContact CG2-CD1 4.36Å; L219-L223 VanDerWaalsContact O-CB 3.25Å; L219-L223 WeakPolarHBondContact O-CB 3.31Å; L219-L223 VanDerWaalsContact O-CG 3.31Å; L219-L223 WeakPolarHBondContact O-CG 3.49Å; L219-L223 PolarHBondContact O-N 3Å; L223-R225 VanDerWaalsContact C-N 3.33Å; L223-R225 PolarHBondContact O-N 3.23Å; L223-A226 PolarHBondContact O-N 2.64Å; L223-I227 WeakPolarHBondContact O-CG1 3.49Å; L223-I227 PolarHBondContact O-N 3.42Å; L223-L256 HydrophobicContact CD1-CD2 3.85Å; L223-L277 HydrophobicContact CB-CD1 4.01Å; L223-L277 HydrophobicContact CB-CD2 4.08Å; L223-L277 HydrophobicContact CD1-CD2 4.46Å |
| 224 | E | 97.7 | Very high | 93.7 | Very high | 35 Ų | 35 | 34.7 Ų | 34.7 | 16% | 0.164 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.2 | -48.9 | 173.1 | -166.9 | -151.9 | 160.7 | 0 | 0 | 110.5 | A220 V221 A226 I227 W228 P276 L277 M280 N343 | A220-E224 PolarHBondContact O-N 3.44Å; V221-E224 PolarHBondContact O-N 3.34Å; E224-A226 VanDerWaalsContact C-N 3.35Å; E224-A226 PolarHBondContact O-N 3.35Å; E224-I227 PolarHBondContact O-N 3.25Å; E224-W228 VanDerWaalsContact O-CD1 3.27Å; E224-W228 PolarHBondContact O-N 3.38Å; E224-W228 PolarHBondContact OE1-NE1 2.94Å; E224-P276 VanDerWaalsContact CD-CB 3.46Å; E224-P276 HydrophobicContact CG-CB 4.24Å; E224-P276 WeakPolarHBondContact OE2-CB 3.36Å; E224-L277 HydrophobicContact CB-CB 4.32Å; E224-M280 HydrophobicContact CG-CG 4.44Å; E224-N343 PolarHBondContact OE1-ND2 3.06Å |
| 225 | R | 97 | Very high | 94.4 | Very high | 118 Ų | 118 | 32.7 Ų | 32.7 | 45% | 0.445 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -59.8 | -41.6 | 174.3 | -73.7 | 174.7 | 161.7 | 178.4 | -6.8 | 112.5 | Q188 V221 L223 W228 N229 | Q188-R225 HydrophobicContact CB-CB 3.8Å; V221-R225 WeakPolarHBondContact O-CG 3.5Å; V221-R225 PolarHBondContact O-N 3.06Å; V221-R225 VanDerWaalsContact O-N 3.12Å; L223-R225 VanDerWaalsContact C-N 3.33Å; L223-R225 PolarHBondContact O-N 3.23Å; R225-W228 PolarHBondContact O-N 3.18Å; R225-N229 WeakPolarHBondContact O-CB 3.25Å; R225-N229 VanDerWaalsContact O-CG 3.23Å; R225-N229 PolarHBondContact O-N 3.49Å; R225-N229 PolarHBondContact O-OD1 3.21Å |
| 226 | A | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65 | -38.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I187 L192 Y222 L223 E224 N229 W230 | I187-A226 HydrophobicContact CG2-CB 3.86Å; L192-A226 HydrophobicContact CD1-CB 3.93Å; Y222-A226 WeakPolarHBondContact O-CB 3.48Å; Y222-A226 PolarHBondContact O-N 3.14Å; L223-A226 PolarHBondContact O-N 2.64Å; E224-A226 VanDerWaalsContact C-N 3.35Å; E224-A226 PolarHBondContact O-N 3.35Å; A226-N229 PolarHBondContact O-N 3.35Å; A226-W230 PolarHBondContact O-N 3.01Å |
| 227 | I | 98.2 | Very high | 95.1 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67 | -43.4 | 173.9 | -65.1 | 163.5 | 0 | 0 | 0 | 110.3 | L197 L223 E224 N229 W230 L231 L277 M280 L281 L284 | L197-I227 HydrophobicContact CD1-CG1 4.13Å; L197-I227 HydrophobicContact CD2-CG1 4.39Å; L223-I227 WeakPolarHBondContact O-CG1 3.49Å; L223-I227 PolarHBondContact O-N 3.42Å; E224-I227 PolarHBondContact O-N 3.25Å; I227-N229 PolarHBondContact O-N 3.07Å; I227-W230 PolarHBondContact O-N 3.17Å; I227-L231 WeakPolarHBondContact O-CB 3.48Å; I227-L231 PolarHBondContact O-N 3.04Å; I227-L277 HydrophobicContact CD1-CD1 3.66Å; I227-M280 HydrophobicContact CD1-CB 4.27Å; I227-M280 HydrophobicContact CG2-CB 4.29Å; I227-M280 HydrophobicContact CG2-CE 3.85Å; I227-L281 HydrophobicContact CD1-CD2 4.18Å; I227-L284 HydrophobicContact CD1-CD1 4.15Å; I227-L284 HydrophobicContact CG1-CD1 4.4Å; I227-L284 HydrophobicContact CG2-CD1 4.39Å |
| 228 | W | 97.5 | Very high | 95.4 | Very high | 18 Ų | 18 | 36.7 Ų | 36.7 | 7% | 0.068 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 173.9 | -80.6 | 119 | 0 | 0 | 0 | 112.7 | E224 R225 W230 L231 E232 M280 N343 K346 A347 Y350 | E224-W228 VanDerWaalsContact O-CD1 3.27Å; E224-W228 PolarHBondContact O-N 3.38Å; E224-W228 PolarHBondContact OE1-NE1 2.94Å; R225-W228 PolarHBondContact O-N 3.18Å; W228-W230 PolarHBondContact O-N 3.13Å; W228-L231 HydrophobicContact CE3-CB 4.48Å; W228-L231 HydrophobicContact CE3-CD2 3.67Å; W228-L231 HydrophobicContact CH2-CD2 4.26Å; W228-L231 HydrophobicContact CZ3-CD2 3.3Å; W228-L231 WeakPolarHBondContact O-CB 3.41Å; W228-L231 PolarHBondContact O-N 2.88Å; W228-E232 WeakPolarHBondContact O-CB 3.32Å; W228-E232 WeakPolarHBondContact O-CG 3.43Å; W228-E232 PolarHBondContact O-N 3.41Å; W228-M280 HydrophobicContact CD2-CE 4.17Å; W228-M280 HydrophobicContact CE3-CE 4.37Å; W228-M280 HydrophobicContact CH2-CE 3.86Å; W228-M280 HydrophobicContact CH2-SD 4.02Å; W228-M280 HydrophobicContact CZ2-CE 3.69Å; W228-M280 HydrophobicContact CZ2-CG 4.49Å; W228-M280 HydrophobicContact CZ2-SD 3.48Å; W228-M280 WeakPolarHBondContact CZ2-SD 3.22Å; W228-M280 HydrophobicContact CZ3-CE 4.23Å; W228-N343 HydrophobicContact CZ2-CB 3.92Å; W228-K346 HydrophobicContact CD2-CD 4.48Å; W228-K346 HydrophobicContact CE3-CD 4.06Å; W228-K346 VanDerWaalsContact CE3-NZ 3.3Å; W228-K346 HydrophobicContact CH2-CB 3.65Å; W228-K346 HydrophobicContact CH2-CD 3.42Å; W228-K346 VanDerWaalsContact CH2-CD 3.42Å; W228-K346 HydrophobicContact CH2-CG 3.48Å; W228-K346 VanDerWaalsContact CH2-CG 3.48Å; W228-K346 HydrophobicContact CZ2-CB 4.31Å; W228-K346 HydrophobicContact CZ2-CD 3.83Å; W228-K346 HydrophobicContact CZ2-CG 4.3Å; W228-K346 HydrophobicContact CZ3-CB 4.31Å; W228-K346 HydrophobicContact CZ3-CD 3.5Å; W228-K346 HydrophobicContact CZ3-CG 3.64Å; W228-A347 HydrophobicContact CH2-CB 4.08Å; W228-Y350 HydrophobicContact CZ3-CE2 4.18Å |
| 229 | N | 95.2 | Very high | 95.6 | Very high | 47 Ų | 47 | 33.1 Ų | 33.1 | 25% | 0.251 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -63.4 | -39 | 176.4 | -71.1 | -2.9 | 0 | 0 | 0 | 112.4 | Q188 R225 A226 I227 N233 | Q188-N229 PolarHBondContact O-ND2 3.12Å; R225-N229 WeakPolarHBondContact O-CB 3.25Å; R225-N229 VanDerWaalsContact O-CG 3.23Å; R225-N229 PolarHBondContact O-N 3.49Å; R225-N229 PolarHBondContact O-OD1 3.21Å; A226-N229 PolarHBondContact O-N 3.35Å; I227-N229 PolarHBondContact O-N 3.07Å; N229-N233 VanDerWaalsContact O-CB 3.32Å; N229-N233 WeakPolarHBondContact O-CB 3.39Å; N229-N233 PolarHBondContact O-N 3.42Å; N229-N233 VanDerWaalsContact O-N 3.11Å; N229-N233 PolarHBondContact O-ND2 3.22Å |
| 230 | W | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.8 | -49.8 | 172.5 | 165.7 | 67.6 | 0 | 0 | 0 | 110.6 | M194 L197 A226 I227 W228 E232 N233 Y234 E237 F238 L241 L284 | M194-W230 HydrophobicContact CB-CZ2 3.99Å; M194-W230 HydrophobicContact CG-CZ2 4.19Å; M194-W230 HydrophobicContact SD-CZ2 4.21Å; L197-W230 HydrophobicContact CD2-CB 4.22Å; L197-W230 HydrophobicContact CD2-CD2 3.81Å; L197-W230 HydrophobicContact CD2-CE3 3.85Å; L197-W230 HydrophobicContact CD2-CG 3.98Å; A226-W230 PolarHBondContact O-N 3.01Å; I227-W230 PolarHBondContact O-N 3.17Å; W228-W230 PolarHBondContact O-N 3.13Å; W230-E232 VanDerWaalsContact C-N 3.3Å; W230-E232 PolarHBondContact O-N 2.92Å; W230-N233 PolarHBondContact O-N 2.89Å; W230-Y234 AromaticContact CD1-CD2 3.98Å; W230-Y234 PolarHBondContact O-N 2.84Å; W230-E237 HydrophobicContact CZ2-CB 3.9Å; W230-E237 PolarHBondContact NE1-OE2 3.48Å; W230-F238 HydrophobicContact CH2-CB 3.83Å; W230-F238 AromaticContact CH2-CD2 3.83Å; W230-F238 HydrophobicContact CH2-CD2 3.83Å; W230-F238 HydrophobicContact CH2-CG 4.33Å; W230-F238 HydrophobicContact CZ2-CB 4.39Å; W230-F238 HydrophobicContact CZ3-CB 4.2Å; W230-F238 AromaticContact CZ3-CD2 3.84Å; W230-F238 HydrophobicContact CZ3-CD2 3.84Å; W230-F238 HydrophobicContact CZ3-CG 4.44Å; W230-L241 HydrophobicContact CH2-CD2 3.96Å; W230-L284 HydrophobicContact CE3-CD2 4.32Å; W230-L284 HydrophobicContact CH2-CD2 3.89Å; W230-L284 HydrophobicContact CZ3-CD2 3.44Å; W230-L284 VanDerWaalsContact CZ3-CD2 3.44Å |
| 231 | L | 96.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.9 | -38.6 | -179.3 | -155 | 89.8 | 0 | 0 | 0 | 113.1 | I227 W228 P235 F238 Y350 | I227-L231 WeakPolarHBondContact O-CB 3.48Å; I227-L231 PolarHBondContact O-N 3.04Å; W228-L231 HydrophobicContact CE3-CB 4.48Å; W228-L231 HydrophobicContact CE3-CD2 3.67Å; W228-L231 HydrophobicContact CH2-CD2 4.26Å; W228-L231 HydrophobicContact CZ3-CD2 3.3Å; W228-L231 WeakPolarHBondContact O-CB 3.41Å; W228-L231 PolarHBondContact O-N 2.88Å; L231-P235 WeakPolarHBondContact O-CA 3.46Å; L231-F238 HydrophobicContact CD1-CB 3.72Å; L231-F238 HydrophobicContact CD1-CD1 3.7Å; L231-F238 HydrophobicContact CD1-CD2 3.42Å; L231-F238 VanDerWaalsContact CD1-CD2 3.42Å; L231-F238 HydrophobicContact CD1-CE1 4.1Å; L231-F238 HydrophobicContact CD1-CE2 3.87Å; L231-F238 HydrophobicContact CD1-CG 3.31Å; L231-F238 HydrophobicContact CD1-CZ 4.18Å; L231-F238 HydrophobicContact CG-CG 4.44Å; L231-Y350 HydrophobicContact CD2-CD1 4.19Å; L231-Y350 HydrophobicContact CD2-CD2 3.39Å; L231-Y350 HydrophobicContact CD2-CE2 3.76Å; L231-Y350 HydrophobicContact CD2-CG 3.64Å; L231-Y350 HydrophobicContact CG-CD1 4.25Å; L231-Y350 HydrophobicContact CG-CD2 4.27Å; L231-Y350 HydrophobicContact CG-CG 4.02Å |
| 232 | E | 94.3 | Very high | 95.7 | Very high | 78 Ų | 78 | 38 Ų | 38 | 36% | 0.364 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -82.9 | -24.2 | -177 | -68.9 | -173.7 | -177.3 | 0 | 0 | 113.1 | W228 W230 K346 Y350 | W228-E232 WeakPolarHBondContact O-CB 3.32Å; W228-E232 WeakPolarHBondContact O-CG 3.43Å; W228-E232 PolarHBondContact O-N 3.41Å; W230-E232 VanDerWaalsContact C-N 3.3Å; W230-E232 PolarHBondContact O-N 2.92Å; E232-K346 WeakPolarHBondContact OE1-CE 3.25Å; E232-K346 IonicContact OE1-NZ 3.72Å; E232-K346 PolarHBondContact OE1-NZ 2.83Å; E232-Y350 HydrophobicContact CG-CE1 4.3Å; E232-Y350 WeakPolarHBondContact CG-OH 3.35Å; E232-Y350 PolarHBondContact OE1-OH 3.46Å |
| 233 | N | 93.5 | Very high | 95.6 | Very high | 74 Ų | 74 | 42.7 Ų | 42.7 | 40% | 0.396 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -91.5 | -35.4 | 174.9 | -71.2 | -56.9 | 0 | 0 | 0 | 113.6 | Y150 N229 W230 P235 | Y150-N233 VanDerWaalsContact OH-CG 3.26Å; Y150-N233 PolarHBondContact OH-ND2 2.98Å; Y150-N233 PolarHBondContact OH-OD1 3.41Å; N229-N233 VanDerWaalsContact O-CB 3.32Å; N229-N233 WeakPolarHBondContact O-CB 3.39Å; N229-N233 PolarHBondContact O-N 3.42Å; N229-N233 VanDerWaalsContact O-N 3.11Å; N229-N233 PolarHBondContact O-ND2 3.22Å; W230-N233 PolarHBondContact O-N 2.89Å; N233-P235 WeakPolarHBondContact O-CD 3.46Å |
| 234 | Y | 95.8 | Very high | 95.4 | Very high | 67 Ų | 67 | 50.7 Ų | 50.7 | 26% | 0.263 | 23% | 0.231 | S | C | . | . | trans | -124.5 | 54.1 | -175.4 | -56.9 | -82.3 | 0 | 0 | 0 | 112.3 | N191 L192 W230 Q236 E237 | N191-Y234 PolarHBondContact ND2-OH 3.37Å; N191-Y234 VanDerWaalsContact OD1-CE2 3.25Å; N191-Y234 WeakPolarHBondContact OD1-CE2 3.47Å; N191-Y234 PolarHBondContact OD1-OH 3.1Å; L192-Y234 WeakPolarHBondContact O-CD2 3.44Å; L192-Y234 WeakPolarHBondContact O-CE2 3.44Å; W230-Y234 AromaticContact CD1-CD2 3.98Å; W230-Y234 PolarHBondContact O-N 2.84Å; Y234-Q236 PolarHBondContact O-N 3.36Å; Y234-E237 PolarHBondContact O-N 3.45Å | ||
| 235 | P | 95.3 | Very high | 95.2 | Very high | 20 Ų | 20 | 51 Ų | 51 | 13% | 0.13 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.3 | -25.1 | -174.7 | 26.6 | -37.1 | 0 | 0 | 0 | 113.7 | L231 N233 F238 D239 Y350 L443 | L231-P235 WeakPolarHBondContact O-CA 3.46Å; N233-P235 WeakPolarHBondContact O-CD 3.46Å; P235-F238 PolarHBondContact O-N 3.23Å; P235-D239 PolarHBondContact O-N 3.21Å; P235-Y350 HydrophobicContact CB-CD1 4.02Å; P235-L443 HydrophobicContact CB-CD1 4.14Å; P235-L443 HydrophobicContact CB-CD2 3.98Å; P235-L443 HydrophobicContact CG-CD2 3.75Å |
| 236 | Q | 94.3 | Very high | 95 | Very high | 117 Ų | 117 | 48.6 Ų | 48.6 | 55% | 0.547 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.9 | -39.3 | 175.3 | -51.8 | -67.3 | 2.3 | 0 | 0 | 112 | Y234 F238 D239 E240 | Y234-Q236 PolarHBondContact O-N 3.36Å; Q236-F238 PolarHBondContact O-N 3.42Å; Q236-D239 PolarHBondContact O-N 3.34Å; Q236-E240 WeakPolarHBondContact O-CB 3.48Å; Q236-E240 WeakPolarHBondContact O-CG 3.29Å; Q236-E240 PolarHBondContact O-N 3.37Å |
| 237 | E | 95.9 | Very high | 94.8 | Very high | 50 Ų | 50 | 52.7 Ų | 52.7 | 23% | 0.234 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.6 | -30 | 178.4 | -66 | -172 | 160.7 | 0 | 0 | 111.3 | M194 W230 Y234 L241 | M194-E237 VanDerWaalsContact CB-OE2 3.28Å; M194-E237 WeakPolarHBondContact CB-OE2 3.34Å; M194-E237 HydrophobicContact CE-CB 4.49Å; M194-E237 PolarHBondContact N-OE2 3.31Å; W230-E237 HydrophobicContact CZ2-CB 3.9Å; W230-E237 PolarHBondContact NE1-OE2 3.48Å; Y234-E237 PolarHBondContact O-N 3.45Å; E237-L241 VanDerWaalsContact O-CB 3.28Å; E237-L241 WeakPolarHBondContact O-CB 3.43Å; E237-L241 PolarHBondContact O-N 3.46Å |
| 238 | F | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -75.2 | -46.4 | 174.9 | 179.9 | -109.3 | 0 | 0 | 0 | 112.9 | W230 L231 P235 Q236 E240 L241 Q242 V283 I351 L360 | W230-F238 HydrophobicContact CH2-CB 3.83Å; W230-F238 AromaticContact CH2-CD2 3.83Å; W230-F238 HydrophobicContact CH2-CD2 3.83Å; W230-F238 HydrophobicContact CH2-CG 4.33Å; W230-F238 HydrophobicContact CZ2-CB 4.39Å; W230-F238 HydrophobicContact CZ3-CB 4.2Å; W230-F238 AromaticContact CZ3-CD2 3.84Å; W230-F238 HydrophobicContact CZ3-CD2 3.84Å; W230-F238 HydrophobicContact CZ3-CG 4.44Å; L231-F238 HydrophobicContact CD1-CB 3.72Å; L231-F238 HydrophobicContact CD1-CD1 3.7Å; L231-F238 HydrophobicContact CD1-CD2 3.42Å; L231-F238 VanDerWaalsContact CD1-CD2 3.42Å; L231-F238 HydrophobicContact CD1-CE1 4.1Å; L231-F238 HydrophobicContact CD1-CE2 3.87Å; L231-F238 HydrophobicContact CD1-CG 3.31Å; L231-F238 HydrophobicContact CD1-CZ 4.18Å; L231-F238 HydrophobicContact CG-CG 4.44Å; P235-F238 PolarHBondContact O-N 3.23Å; Q236-F238 PolarHBondContact O-N 3.42Å; F238-E240 PolarHBondContact O-N 3.15Å; F238-L241 PolarHBondContact O-N 3.09Å; F238-L241 VanDerWaalsContact O-N 3.17Å; F238-Q242 HydrophobicContact CD1-CG 4.41Å; F238-Q242 HydrophobicContact CD2-CG 4.42Å; F238-Q242 HydrophobicContact CE1-CG 4.09Å; F238-Q242 HydrophobicContact CE2-CG 4.08Å; F238-Q242 VanDerWaalsContact CE2-NE2 3.34Å; F238-Q242 HydrophobicContact CZ-CG 3.92Å; F238-Q242 VanDerWaalsContact O-CG 3.26Å; F238-Q242 WeakPolarHBondContact O-CG 3.42Å; F238-Q242 PolarHBondContact O-N 3.44Å; F238-V283 HydrophobicContact CE2-CG1 3.72Å; F238-V283 HydrophobicContact CZ-CG1 3.67Å; F238-I351 HydrophobicContact CD1-CG1 4.37Å; F238-I351 HydrophobicContact CE1-CD1 4.28Å; F238-I351 HydrophobicContact CE1-CG1 3.72Å; F238-I351 HydrophobicContact CZ-CG1 4.49Å; F238-L360 HydrophobicContact CZ-CD1 3.98Å |
| 239 | D | 92.4 | Very high | 94.4 | Very high | 17 Ų | 17 | 59.6 Ų | 59.6 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.6 | -34.6 | 175.7 | -171.7 | 76.7 | 0 | 0 | 0 | 111.1 | P235 Q236 K243 N352 | P235-D239 PolarHBondContact O-N 3.21Å; Q236-D239 PolarHBondContact O-N 3.34Å; D239-K243 VanDerWaalsContact CG-NZ 3.33Å; D239-K243 WeakPolarHBondContact O-CD 3.36Å; D239-K243 WeakPolarHBondContact O-CG 3.48Å; D239-K243 PolarHBondContact O-N 3.27Å; D239-K243 IonicContact OD1-NZ 2.68Å; D239-K243 PolarHBondContact OD1-NZ 3.41Å; D239-K243 IonicContact OD2-NZ 2.73Å; D239-K243 PolarHBondContact OD2-NZ 3.11Å; D239-N352 PolarHBondContact OD1-N 3.07Å; D239-N352 VanDerWaalsContact OD1-N 3.14Å |
| 240 | E | 93.8 | Very high | 94.4 | Very high | 128 Ų | 128 | 58.1 Ų | 58.1 | 60% | 0.598 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -67.1 | -46.7 | 169.5 | -74.6 | -175.2 | -172 | 0 | 0 | 113 | Q236 F238 Q242 K243 K244 | Q236-E240 WeakPolarHBondContact O-CB 3.48Å; Q236-E240 WeakPolarHBondContact O-CG 3.29Å; Q236-E240 PolarHBondContact O-N 3.37Å; F238-E240 PolarHBondContact O-N 3.15Å; E240-Q242 VanDerWaalsContact C-N 3.25Å; E240-Q242 PolarHBondContact O-N 3.08Å; E240-K243 CarbonylContact O-C 3.52Å; E240-K243 PolarHBondContact O-N 2.69Å; E240-K244 PolarHBondContact O-N 2.84Å |
| 241 | L | 95.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.5 | -37 | 177.6 | 177.4 | 65.2 | 0 | 0 | 0 | 112.3 | M194 W230 E237 F238 K243 K244 P245 I246 L249 L284 | M194-L241 HydrophobicContact SD-CB 4.18Å; M194-L241 HydrophobicContact SD-CD1 4.16Å; M194-L241 HydrophobicContact SD-CD2 4.35Å; M194-L241 HydrophobicContact SD-CG 4.46Å; W230-L241 HydrophobicContact CH2-CD2 3.96Å; E237-L241 VanDerWaalsContact O-CB 3.28Å; E237-L241 WeakPolarHBondContact O-CB 3.43Å; E237-L241 PolarHBondContact O-N 3.46Å; F238-L241 PolarHBondContact O-N 3.09Å; F238-L241 VanDerWaalsContact O-N 3.17Å; L241-K243 PolarHBondContact O-N 3.33Å; L241-K244 CarbonylContact O-C 3.41Å; L241-P245 WeakPolarHBondContact O-CA 3.34Å; L241-I246 HydrophobicContact CD1-CB 4.13Å; L241-I246 HydrophobicContact CD1-CD1 4.31Å; L241-I246 HydrophobicContact CD1-CG1 3.95Å; L241-L249 HydrophobicContact CD1-CD2 4.07Å; L241-L249 HydrophobicContact CD2-CD2 3.76Å; L241-L284 HydrophobicContact CD2-CD2 3.84Å |
| 242 | Q | 95.2 | Very high | 94.3 | Very high | 12 Ų | 12 | 63.6 Ų | 63.6 | 6% | 0.056 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -19.7 | 176 | -68.4 | -67.2 | -41.5 | 0 | 0 | 113.4 | F238 E240 V283 I351 N358 | F238-Q242 HydrophobicContact CD1-CG 4.41Å; F238-Q242 HydrophobicContact CD2-CG 4.42Å; F238-Q242 HydrophobicContact CE1-CG 4.09Å; F238-Q242 HydrophobicContact CE2-CG 4.08Å; F238-Q242 VanDerWaalsContact CE2-NE2 3.34Å; F238-Q242 HydrophobicContact CZ-CG 3.92Å; F238-Q242 VanDerWaalsContact O-CG 3.26Å; F238-Q242 WeakPolarHBondContact O-CG 3.42Å; F238-Q242 PolarHBondContact O-N 3.44Å; E240-Q242 VanDerWaalsContact C-N 3.25Å; E240-Q242 PolarHBondContact O-N 3.08Å; Q242-V283 PolarHBondContact NE2-O 3.41Å; Q242-I351 HydrophobicContact CB-CD1 4.14Å; Q242-I351 HydrophobicContact CG-CD1 3.61Å; Q242-I351 HydrophobicContact CG-CG1 4.06Å; Q242-N358 PolarHBondContact OE1-ND2 3.1Å |
| 243 | K | 91.9 | Very high | 94.5 | Very high | 109 Ų | 109 | 59.9 Ų | 59.9 | 47% | 0.474 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -28.2 | 179.1 | -71.2 | 165.5 | -177.4 | 168.7 | 0 | 112.6 | D239 E240 L241 D355 | D239-K243 VanDerWaalsContact CG-NZ 3.33Å; D239-K243 WeakPolarHBondContact O-CD 3.36Å; D239-K243 WeakPolarHBondContact O-CG 3.48Å; D239-K243 PolarHBondContact O-N 3.27Å; D239-K243 IonicContact OD1-NZ 2.68Å; D239-K243 PolarHBondContact OD1-NZ 3.41Å; D239-K243 IonicContact OD2-NZ 2.73Å; D239-K243 PolarHBondContact OD2-NZ 3.11Å; E240-K243 CarbonylContact O-C 3.52Å; E240-K243 PolarHBondContact O-N 2.69Å; L241-K243 PolarHBondContact O-N 3.33Å; K243-D355 WeakPolarHBondContact CE-OD2 3.44Å; K243-D355 IonicContact NZ-OD2 2.74Å; K243-D355 PolarHBondContact NZ-OD2 3.46Å |
| 244 | K | 93.7 | Very high | 94.6 | Very high | 169 Ų | 169 | 57.6 Ų | 57.6 | 74% | 0.735 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -137.3 | 87.2 | 177.3 | -171.4 | -175.5 | 177.6 | -173.9 | 0 | 109.6 | E240 L241 | E240-K244 PolarHBondContact O-N 2.84Å; L241-K244 CarbonylContact O-C 3.41Å |
| 245 | P | 93 | Very high | 94.5 | Very high | 43 Ų | 43 | 59.6 Ų | 59.6 | 28% | 0.279 | 29% | 0.287 | S | S | . | . | trans | -62.7 | 146.1 | -177.6 | -21.3 | 33.7 | 0 | 0 | 0 | 111.9 | L241 P286 K287 | L241-P245 WeakPolarHBondContact O-CA 3.34Å; P245-P286 HydrophobicContact CB-CG 4.01Å; P245-P286 HydrophobicContact CG-CG 3.74Å; P245-K287 HydrophobicContact CB-CD 4.27Å; P245-K287 HydrophobicContact CB-CG 4.11Å; P245-K287 HydrophobicContact CG-CG 4.03Å | ||
| 246 | I | 93.1 | Very high | 94.6 | Very high | 67 Ų | 67 | 58.7 Ų | 58.7 | 34% | 0.344 | 28% | 0.281 | S | S | . | . | trans | -111.6 | 114.5 | -178.6 | -58.7 | 179.7 | 0 | 0 | 0 | 109.3 | M194 L241 E248 L249 A250 | M194-I246 HydrophobicContact CE-CD1 3.57Å; M194-I246 HydrophobicContact SD-CD1 3.69Å; L241-I246 HydrophobicContact CD1-CB 4.13Å; L241-I246 HydrophobicContact CD1-CD1 4.31Å; L241-I246 HydrophobicContact CD1-CG1 3.95Å; I246-E248 HydrophobicContact CG2-CB 4.49Å; I246-E248 PolarHBondContact O-N 2.85Å; I246-L249 HydrophobicContact CB-CB 4.27Å; I246-L249 HydrophobicContact CG2-CB 4.26Å; I246-L249 PolarHBondContact O-N 3.04Å; I246-A250 PolarHBondContact O-N 3.09Å | ||
| 247 | D | 93 | Very high | 94.7 | Very high | 86 Ų | 86 | 53.2 Ų | 53.2 | 46% | 0.46 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.4 | -36.8 | -170.6 | -61.5 | -42 | 0 | 0 | 0 | 112.8 | L249 A250 D251 K287 | D247-L249 PolarHBondContact O-N 3.43Å; D247-A250 WeakPolarHBondContact O-CB 3.23Å; D247-A250 PolarHBondContact O-N 3.31Å; D247-A250 VanDerWaalsContact O-N 3.1Å; D247-D251 PolarHBondContact O-N 3.48Å; D247-K287 VanDerWaalsContact CG-NZ 3.31Å; D247-K287 IonicContact OD1-NZ 2.64Å; D247-K287 PolarHBondContact OD1-NZ 3.1Å; D247-K287 IonicContact OD2-NZ 3.17Å; D247-K287 PolarHBondContact OD2-NZ 2.89Å |
| 248 | E | 92.5 | Very high | 94.6 | Very high | 164 Ų | 164 | 53 Ų | 53 | 77% | 0.766 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -59.1 | -33.3 | 173.1 | -63.7 | -176.4 | 179.7 | 0 | 0 | 113.4 | I246 | I246-E248 HydrophobicContact CG2-CB 4.49Å; I246-E248 PolarHBondContact O-N 2.85Å |
| 249 | L | 95.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -75.4 | -43.2 | 175.4 | 174.2 | 58.1 | 0 | 0 | 0 | 110 | M194 I201 L241 I246 D247 D251 C252 C253 | M194-L249 HydrophobicContact CG-CD2 4.22Å; M194-L249 HydrophobicContact SD-CD2 4.42Å; I201-L249 HydrophobicContact CD1-CD1 4.35Å; L241-L249 HydrophobicContact CD1-CD2 4.07Å; L241-L249 HydrophobicContact CD2-CD2 3.76Å; I246-L249 HydrophobicContact CB-CB 4.27Å; I246-L249 HydrophobicContact CG2-CB 4.26Å; I246-L249 PolarHBondContact O-N 3.04Å; D247-L249 PolarHBondContact O-N 3.43Å; L249-D251 PolarHBondContact O-N 3.09Å; L249-C252 PolarHBondContact O-N 3.21Å; L249-C252 PolarHBondContact O-SG 3.06Å; L249-C253 WeakPolarHBondContact O-CB 3.34Å; L249-C253 PolarHBondContact O-N 3.09Å; L249-C253 PolarHBondContact O-SG 3.27Å |
| 250 | A | 95.8 | Very high | 94.6 | Very high | 16 Ų | 16 | 53 Ų | 53 | 13% | 0.132 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.8 | -49.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | I246 D247 C252 C253 E254 | I246-A250 PolarHBondContact O-N 3.09Å; D247-A250 WeakPolarHBondContact O-CB 3.23Å; D247-A250 PolarHBondContact O-N 3.31Å; D247-A250 VanDerWaalsContact O-N 3.1Å; A250-C252 VanDerWaalsContact C-N 3.3Å; A250-C252 PolarHBondContact O-N 3.4Å; A250-C253 PolarHBondContact O-N 3.5Å; A250-E254 WeakPolarHBondContact O-CB 3.46Å; A250-E254 WeakPolarHBondContact O-CG 3.44Å; A250-E254 PolarHBondContact O-N 3.23Å |
| 251 | D | 95.3 | Very high | 94.5 | Very high | 110 Ų | 110 | 48.8 Ų | 48.8 | 59% | 0.588 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -52.1 | -46 | 176.8 | -75.7 | -15.6 | 0 | 0 | 0 | 112.4 | D247 L249 R255 | D247-D251 PolarHBondContact O-N 3.48Å; L249-D251 PolarHBondContact O-N 3.09Å; D251-R255 VanDerWaalsContact O-CB 3.26Å; D251-R255 WeakPolarHBondContact O-CB 3.47Å; D251-R255 PolarHBondContact O-N 3.1Å |
| 252 | C | 95.4 | Very high | 94 | Very high | 7 Ų | 7 | 51.8 Ų | 51.8 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -76.1 | -34.7 | -177.7 | 80.6 | 0 | 0 | 0 | 0 | 112.4 | I201 C205 L249 A250 L256 | I201-C252 HydrophobicContact CG2-CB 3.91Å; I201-C252 WeakPolarHBondContact CG2-O 3.37Å; I201-C252 WeakPolarHBondContact CG2-SG 3.23Å; C205-C252 PolarHBondContact SG-O 2.92Å; C205-C252 VanDerWaalsContact SG-O 3.42Å; L249-C252 PolarHBondContact O-N 3.21Å; L249-C252 PolarHBondContact O-SG 3.06Å; A250-C252 VanDerWaalsContact C-N 3.3Å; A250-C252 PolarHBondContact O-N 3.4Å; C252-L256 WeakPolarHBondContact O-CB 3.44Å; C252-L256 PolarHBondContact O-N 2.86Å |
| 253 | C | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 172.6 | -77.1 | 0 | 0 | 0 | 0 | 112.2 | L249 A250 L256 F257 L281 | L249-C253 WeakPolarHBondContact O-CB 3.34Å; L249-C253 PolarHBondContact O-N 3.09Å; L249-C253 PolarHBondContact O-SG 3.27Å; A250-C253 PolarHBondContact O-N 3.5Å; C253-L256 PolarHBondContact O-N 3.23Å; C253-F257 WeakPolarHBondContact O-CB 3.21Å; C253-F257 PolarHBondContact O-N 2.91Å; C253-L281 HydrophobicContact CB-CD2 4.16Å |
| 254 | E | 95.7 | Very high | 93 | Very high | 26 Ų | 26 | 46.5 Ų | 46.5 | 12% | 0.121 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.4 | -49.2 | 175.1 | -79.1 | -150.2 | -101.7 | 0 | 0 | 112.3 | A250 L256 F257 D258 I288 Y305 K308 | A250-E254 WeakPolarHBondContact O-CB 3.46Å; A250-E254 WeakPolarHBondContact O-CG 3.44Å; A250-E254 PolarHBondContact O-N 3.23Å; E254-L256 PolarHBondContact O-N 3.05Å; E254-F257 WeakPolarHBondContact O-CB 3.35Å; E254-F257 PolarHBondContact O-N 3.08Å; E254-F257 VanDerWaalsContact O-N 3.08Å; E254-D258 PolarHBondContact O-N 3.31Å; E254-I288 HydrophobicContact CG-CD1 3.36Å; E254-I288 VanDerWaalsContact OE1-CD1 3.29Å; E254-I288 WeakPolarHBondContact OE1-CD1 3.49Å; E254-Y305 WeakPolarHBondContact OE1-CE1 3.47Å; E254-Y305 WeakPolarHBondContact OE2-CE1 3.26Å; E254-K308 WeakPolarHBondContact OE2-CE 3.4Å; E254-K308 IonicContact OE2-NZ 3.52Å; E254-K308 PolarHBondContact OE2-NZ 2.9Å |
| 255 | R | 95.2 | Very high | 92.2 | Very high | 109 Ų | 109 | 42.8 Ų | 42.8 | 41% | 0.411 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.6 | -38.2 | 177.1 | 179.7 | 173.4 | 165.5 | -160.9 | -9.9 | 111.3 | C205 N206 D251 L259 | C205-R255 VanDerWaalsContact C-NH2 3.29Å; C205-R255 HydrophobicContact CB-CG 4.27Å; C205-R255 PolarHBondContact O-NH2 3.47Å; N206-R255 PolarHBondContact OD1-NH1 3.27Å; N206-R255 PolarHBondContact OD1-NH2 3.17Å; D251-R255 VanDerWaalsContact O-CB 3.26Å; D251-R255 WeakPolarHBondContact O-CB 3.47Å; D251-R255 PolarHBondContact O-N 3.1Å; R255-L259 HydrophobicContact CG-CD1 4.36Å; R255-L259 WeakPolarHBondContact O-CD1 3.11Å; R255-L259 WeakPolarHBondContact O-CG 3.34Å; R255-L259 PolarHBondContact O-N 3.25Å |
| 256 | L | 96.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70 | -41.3 | 174.8 | -169.3 | 58.4 | 0 | 0 | 0 | 112.5 | I201 I204 F208 L223 C252 C253 E254 D258 L259 F260 L281 | I201-L256 HydrophobicContact CG2-CB 4.3Å; I201-L256 HydrophobicContact CG2-CD2 3.97Å; I204-L256 HydrophobicContact CG2-CD1 4.29Å; F208-L256 HydrophobicContact CD2-CD1 4.05Å; F208-L256 HydrophobicContact CE2-CD1 4.13Å; L223-L256 HydrophobicContact CD1-CD2 3.85Å; C252-L256 WeakPolarHBondContact O-CB 3.44Å; C252-L256 PolarHBondContact O-N 2.86Å; C253-L256 PolarHBondContact O-N 3.23Å; E254-L256 PolarHBondContact O-N 3.05Å; L256-D258 PolarHBondContact O-N 3.32Å; L256-L259 PolarHBondContact O-N 2.9Å; L256-F260 HydrophobicContact CD1-CD2 3.85Å; L256-F260 HydrophobicContact CD1-CE2 3.69Å; L256-F260 HydrophobicContact CD2-CE2 4.38Å; L256-F260 HydrophobicContact CG-CD2 3.88Å; L256-F260 HydrophobicContact CG-CE2 3.97Å; L256-F260 WeakPolarHBondContact O-CD2 3.15Å; L256-F260 PolarHBondContact O-N 2.93Å; L256-L281 HydrophobicContact CB-CD1 4.12Å; L256-L281 HydrophobicContact CD2-CD1 4.02Å; L256-L281 HydrophobicContact CD2-CD2 4.08Å; L256-L281 HydrophobicContact CG-CD1 3.98Å |
| 257 | F | 96.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.2 | -45.4 | 176.3 | -176.1 | -73.9 | 0 | 0 | 0 | 111.4 | C253 E254 F260 T261 Q278 L281 L282 K308 F311 | C253-F257 WeakPolarHBondContact O-CB 3.21Å; C253-F257 PolarHBondContact O-N 2.91Å; E254-F257 WeakPolarHBondContact O-CB 3.35Å; E254-F257 PolarHBondContact O-N 3.08Å; E254-F257 VanDerWaalsContact O-N 3.08Å; F257-F260 PolarHBondContact O-N 3.16Å; F257-T261 WeakPolarHBondContact CD1-OG1 3.29Å; F257-T261 VanDerWaalsContact CE1-OG1 3.31Å; F257-T261 WeakPolarHBondContact CE1-OG1 3.48Å; F257-T261 WeakPolarHBondContact O-CB 3.22Å; F257-T261 PolarHBondContact O-N 2.96Å; F257-T261 PolarHBondContact O-OG1 3.42Å; F257-Q278 HydrophobicContact CD2-CB 3.9Å; F257-Q278 HydrophobicContact CD2-CG 3.94Å; F257-Q278 HydrophobicContact CE2-CB 3.59Å; F257-Q278 HydrophobicContact CE2-CG 3.91Å; F257-Q278 HydrophobicContact CZ-CB 4.37Å; F257-Q278 HydrophobicContact CZ-CG 4.46Å; F257-Q278 VanDerWaalsContact CZ-NE2 3.32Å; F257-L281 HydrophobicContact CB-CD1 4.31Å; F257-L281 HydrophobicContact CD2-CB 4.49Å; F257-L282 HydrophobicContact CD2-CD2 3.93Å; F257-L282 HydrophobicContact CD2-CG 3.95Å; F257-L282 HydrophobicContact CE2-CD1 3.73Å; F257-L282 HydrophobicContact CE2-CD2 3.84Å; F257-L282 HydrophobicContact CE2-CG 3.62Å; F257-L282 HydrophobicContact CZ-CD1 4.26Å; F257-L282 HydrophobicContact CZ-CD2 4.49Å; F257-K308 HydrophobicContact CD1-CG 3.91Å; F257-K308 HydrophobicContact CE1-CB 4.49Å; F257-K308 HydrophobicContact CE1-CG 3.76Å; F257-K308 HydrophobicContact CG-CG 4.45Å; F257-K308 HydrophobicContact CZ-CG 4.12Å; F257-F311 HydrophobicContact CE2-CD1 4.15Å; F257-F311 HydrophobicContact CE2-CE1 4.5Å; F257-F311 HydrophobicContact CE2-CG 4.29Å; F257-F311 HydrophobicContact CZ-CB 3.8Å; F257-F311 HydrophobicContact CZ-CD1 4.09Å; F257-F311 HydrophobicContact CZ-CD2 4.41Å; F257-F311 AromaticContact CZ-CG 3.85Å; F257-F311 HydrophobicContact CZ-CG 3.85Å |
| 258 | D | 94.3 | Very high | 89.9 | Confident | 46 Ų | 46 | 41.4 Ų | 41.4 | 25% | 0.246 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.3 | -37.4 | 179.1 | -99.4 | -68.8 | 0 | 0 | 0 | 112.7 | E254 L256 T261 K307 K308 | E254-D258 PolarHBondContact O-N 3.31Å; L256-D258 PolarHBondContact O-N 3.32Å; D258-T261 PolarHBondContact O-N 3.1Å; D258-K307 WeakPolarHBondContact OD1-CD 3.4Å; D258-K307 WeakPolarHBondContact OD1-CE 3.13Å; D258-K307 IonicContact OD1-NZ 3.79Å; D258-K307 PolarHBondContact OD1-NZ 3.44Å; D258-K308 WeakPolarHBondContact OD2-CE 3.43Å; D258-K308 IonicContact OD2-NZ 2.85Å; D258-K308 PolarHBondContact OD2-NZ 3.09Å |
| 259 | L | 93.5 | Very high | 89.4 | Confident | 18 Ų | 18 | 42.3 Ų | 42.3 | 9% | 0.094 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.5 | -49.3 | 171.6 | -73.8 | 165 | 0 | 0 | 0 | 111 | F208 R209 R255 L256 T261 S262 | F208-L259 HydrophobicContact CB-CD1 3.83Å; F208-L259 HydrophobicContact CB-CD2 4.48Å; F208-L259 HydrophobicContact CD1-CB 3.96Å; F208-L259 HydrophobicContact CD1-CD1 4.31Å; F208-L259 HydrophobicContact CD1-CD2 4.01Å; F208-L259 HydrophobicContact CD1-CG 4.32Å; F208-L259 HydrophobicContact CD2-CD1 4.47Å; F208-L259 HydrophobicContact CE1-CB 3.99Å; F208-L259 HydrophobicContact CG-CB 4.26Å; F208-L259 HydrophobicContact CG-CD1 3.97Å; F208-L259 HydrophobicContact CG-CD2 4.44Å; F208-L259 HydrophobicContact CG-CG 4.46Å; F208-L259 HydrophobicContact CZ-CB 4.33Å; R209-L259 HydrophobicContact CG-CD2 4Å; R255-L259 HydrophobicContact CG-CD1 4.36Å; R255-L259 WeakPolarHBondContact O-CD1 3.11Å; R255-L259 WeakPolarHBondContact O-CG 3.34Å; R255-L259 PolarHBondContact O-N 3.25Å; L256-L259 PolarHBondContact O-N 2.9Å; L259-T261 PolarHBondContact O-N 2.57Å; L259-S262 PolarHBondContact O-N 2.69Å; L259-S262 PolarHBondContact O-OG 3.13Å |
| 260 | F | 93.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.4 | -31.4 | 178.6 | -89.2 | -62.9 | 0 | 0 | 0 | 114.1 | F208 W216 A220 L256 F257 S262 L263 C264 V274 L277 | F208-F260 HydrophobicContact CE2-CD1 4.41Å; F208-F260 HydrophobicContact CE2-CD2 4.19Å; F208-F260 AromaticContact CE2-CE1 3.98Å; F208-F260 HydrophobicContact CE2-CE1 3.98Å; F208-F260 AromaticContact CE2-CE2 3.75Å; F208-F260 HydrophobicContact CE2-CE2 3.75Å; F208-F260 AromaticContact CE2-CZ 3.64Å; F208-F260 HydrophobicContact CE2-CZ 3.64Å; F208-F260 HydrophobicContact CZ-CD1 4Å; F208-F260 HydrophobicContact CZ-CD2 4.4Å; F208-F260 AromaticContact CZ-CE1 3.85Å; F208-F260 HydrophobicContact CZ-CE1 3.85Å; F208-F260 HydrophobicContact CZ-CE2 4.28Å; F208-F260 HydrophobicContact CZ-CG 4.27Å; F208-F260 HydrophobicContact CZ-CZ 4.01Å; W216-F260 HydrophobicContact CB-CE1 4.43Å; W216-F260 VanDerWaalsContact O-CE1 3.32Å; W216-F260 WeakPolarHBondContact O-CE1 3.27Å; A220-F260 HydrophobicContact CB-CE1 3.77Å; A220-F260 HydrophobicContact CB-CZ 3.88Å; L256-F260 HydrophobicContact CD1-CD2 3.85Å; L256-F260 HydrophobicContact CD1-CE2 3.69Å; L256-F260 HydrophobicContact CD2-CE2 4.38Å; L256-F260 HydrophobicContact CG-CD2 3.88Å; L256-F260 HydrophobicContact CG-CE2 3.97Å; L256-F260 WeakPolarHBondContact O-CD2 3.15Å; L256-F260 PolarHBondContact O-N 2.93Å; F257-F260 PolarHBondContact O-N 3.16Å; F260-S262 PolarHBondContact O-N 3.2Å; F260-L263 HydrophobicContact CD1-CD2 4.26Å; F260-L263 HydrophobicContact CE1-CD2 4.43Å; F260-L263 WeakPolarHBondContact O-CB 3.28Å; F260-L263 PolarHBondContact O-N 2.86Å; F260-C264 PolarHBondContact O-N 3.13Å; F260-V274 HydrophobicContact CB-CG1 3.73Å; F260-V274 HydrophobicContact CD1-CG1 3.77Å; F260-V274 HydrophobicContact CD1-CG2 4.17Å; F260-V274 HydrophobicContact CG-CG1 3.97Å; F260-L277 HydrophobicContact CD2-CD2 3.93Å; F260-L277 HydrophobicContact CE2-CD2 3.49Å; F260-L277 VanDerWaalsContact CE2-CD2 3.49Å; F260-L277 HydrophobicContact CZ-CD2 4.02Å |
| 261 | T | 92.5 | Very high | 89.1 | Confident | 38 Ų | 38 | 45 Ų | 45 | 23% | 0.233 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.2 | -35.6 | 176.7 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | F257 D258 L259 L263 C264 Q278 K307 | F257-T261 WeakPolarHBondContact CD1-OG1 3.29Å; F257-T261 VanDerWaalsContact CE1-OG1 3.31Å; F257-T261 WeakPolarHBondContact CE1-OG1 3.48Å; F257-T261 WeakPolarHBondContact O-CB 3.22Å; F257-T261 PolarHBondContact O-N 2.96Å; F257-T261 PolarHBondContact O-OG1 3.42Å; D258-T261 PolarHBondContact O-N 3.1Å; L259-T261 PolarHBondContact O-N 2.57Å; T261-L263 VanDerWaalsContact C-N 3.28Å; T261-L263 PolarHBondContact O-N 3.17Å; T261-C264 PolarHBondContact O-N 3.47Å; T261-Q278 PolarHBondContact OG1-NE2 3.43Å; T261-K307 HydrophobicContact CG2-CD 4.44Å |
| 262 | S | 84.5 | Confident | 88.9 | Confident | 66 Ų | 66 | 40.9 Ų | 40.9 | 46% | 0.462 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.9 | -34.7 | 176.3 | 74.1 | 0 | 0 | 0 | 0 | 113.4 | L259 F260 | L259-S262 PolarHBondContact O-N 2.69Å; L259-S262 PolarHBondContact O-OG 3.13Å; F260-S262 PolarHBondContact O-N 3.2Å |
| 263 | L | 83 | Confident | 88.7 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -75.1 | -29.3 | -179.5 | -174.6 | 61.1 | 0 | 0 | 0 | 112.4 | W216 L217 F260 T261 A265 K270 V274 | W216-L263 HydrophobicContact CB-CD2 3.9Å; W216-L263 HydrophobicContact CE3-CB 4.21Å; W216-L263 HydrophobicContact CE3-CD1 3.88Å; W216-L263 HydrophobicContact CE3-CD2 4.07Å; W216-L263 HydrophobicContact CE3-CG 4.27Å; W216-L263 HydrophobicContact CZ3-CD1 4.32Å; L217-L263 HydrophobicContact CD2-CD2 3.67Å; L217-L263 HydrophobicContact CD2-CG 4.41Å; L217-L263 HydrophobicContact CG-CD2 4.17Å; F260-L263 HydrophobicContact CD1-CD2 4.26Å; F260-L263 HydrophobicContact CE1-CD2 4.43Å; F260-L263 WeakPolarHBondContact O-CB 3.28Å; F260-L263 PolarHBondContact O-N 2.86Å; T261-L263 VanDerWaalsContact C-N 3.28Å; T261-L263 PolarHBondContact O-N 3.17Å; L263-A265 VanDerWaalsContact C-N 3.32Å; L263-A265 PolarHBondContact O-N 3.29Å; L263-K270 HydrophobicContact CD1-CD 3.72Å; L263-K270 HydrophobicContact CG-CD 3.99Å; L263-V274 HydrophobicContact CD2-CG2 4.19Å |
| 264 | C | 82.5 | Confident | 88.6 | Confident | 10 Ų | 10 | 43.8 Ų | 43.8 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -72.8 | -19.4 | -179.8 | -70.1 | 0 | 0 | 0 | 0 | 114.4 | F260 T261 E266 K271 V274 Q278 | F260-C264 PolarHBondContact O-N 3.13Å; T261-C264 PolarHBondContact O-N 3.47Å; C264-E266 VanDerWaalsContact C-N 3.25Å; C264-E266 PolarHBondContact O-N 3.28Å; C264-K271 HydrophobicContact CB-CG 4.08Å; C264-V274 WeakPolarHBondContact SG-CG1 3.5Å; C264-Q278 PolarHBondContact SG-OE1 3.22Å |
| 265 | A | 76.9 | Confident | 88.7 | Confident | 90 Ų | 90 | 42.7 Ų | 42.7 | 74% | 0.744 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -25.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L263 | L263-A265 VanDerWaalsContact C-N 3.32Å; L263-A265 PolarHBondContact O-N 3.29Å |
| 266 | E | 70.9 | Confident | 88.8 | Confident | 94 Ų | 94 | 37.7 Ų | 37.7 | 44% | 0.439 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -82.5 | -31.1 | -168.7 | -57.4 | -176.6 | 165.8 | 0 | 0 | 114.5 | K213 C264 K270 | K213-E266 IonicContact NZ-OE1 3.95Å; K213-E266 PolarHBondContact NZ-OE1 2.99Å; K213-E266 IonicContact NZ-OE2 2.7Å; C264-E266 VanDerWaalsContact C-N 3.25Å; C264-E266 PolarHBondContact O-N 3.28Å; E266-K270 HydrophobicContact CB-CD 4.43Å; E266-K270 IonicContact OE2-NZ 2.77Å; E266-K270 PolarHBondContact OE2-NZ 3.12Å |
| 267 | S | 80.7 | Confident | 88.9 | Confident | 48 Ų | 48 | 37.7 Ų | 37.7 | 34% | 0.336 | 21% | 0.21 | S | C | . | . | trans | -165.2 | 140.2 | -176.6 | 178.2 | 0 | 0 | 0 | 0 | 113.7 | R269 K270 K271 | S267-R269 PolarHBondContact O-N 3.01Å; S267-R269 PolarHBondContact OG-N 3.3Å; S267-K270 WeakPolarHBondContact O-CB 3.41Å; S267-K270 PolarHBondContact O-N 2.87Å; S267-K271 PolarHBondContact O-N 3Å | ||
| 268 | G | 79.3 | Confident | 88.9 | Confident | 26 Ų | 26 | 37.8 Ų | 37.8 | 27% | 0.268 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.2 | -28.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114 | K270 K271 | G268-K270 VanDerWaalsContact C-N 3.29Å; G268-K270 PolarHBondContact O-N 3.24Å; G268-K271 WeakPolarHBondContact O-CB 3.45Å; G268-K271 PolarHBondContact O-N 2.65Å |
| 269 | R | 83.6 | Confident | 89.1 | Confident | 182 Ų | 182 | 35.7 Ų | 35.7 | 69% | 0.687 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -67.1 | -30.7 | 174.7 | -61.8 | -168 | -156.1 | 163 | 4.5 | 112.4 | S267 I272 | S267-R269 PolarHBondContact O-N 3.01Å; S267-R269 PolarHBondContact OG-N 3.3Å; R269-I272 PolarHBondContact O-N 3.21Å |
| 270 | K | 89.8 | Confident | 89.4 | Confident | 43 Ų | 43 | 34.9 Ų | 34.9 | 19% | 0.187 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71.7 | -32.3 | 177.4 | -63 | -174.9 | 178 | -168.1 | 0 | 111.5 | L217 L263 E266 S267 G268 I272 L273 V274 | L217-K270 HydrophobicContact CD2-CB 4.24Å; L217-K270 HydrophobicContact CD2-CG 4.14Å; L263-K270 HydrophobicContact CD1-CD 3.72Å; L263-K270 HydrophobicContact CG-CD 3.99Å; E266-K270 HydrophobicContact CB-CD 4.43Å; E266-K270 IonicContact OE2-NZ 2.77Å; E266-K270 PolarHBondContact OE2-NZ 3.12Å; S267-K270 WeakPolarHBondContact O-CB 3.41Å; S267-K270 PolarHBondContact O-N 2.87Å; G268-K270 VanDerWaalsContact C-N 3.29Å; G268-K270 PolarHBondContact O-N 3.24Å; K270-I272 VanDerWaalsContact C-N 3.28Å; K270-I272 PolarHBondContact O-N 3.3Å; K270-L273 PolarHBondContact O-N 3.45Å; K270-V274 WeakPolarHBondContact O-CB 3.41Å; K270-V274 WeakPolarHBondContact O-CG2 3.43Å; K270-V274 PolarHBondContact O-N 3.4Å; K270-V274 VanDerWaalsContact O-N 3.14Å |
| 271 | K | 93.3 | Very high | 89.6 | Confident | 31 Ų | 31 | 35 Ų | 35 | 14% | 0.135 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.9 | -38.5 | 173.8 | -69.6 | -172.9 | 162.2 | -172.4 | 0 | 112 | C264 S267 G268 L273 V274 W275 E314 L333 A336 | C264-K271 HydrophobicContact CB-CG 4.08Å; S267-K271 PolarHBondContact O-N 3Å; G268-K271 WeakPolarHBondContact O-CB 3.45Å; G268-K271 PolarHBondContact O-N 2.65Å; K271-L273 VanDerWaalsContact C-N 3.26Å; K271-L273 PolarHBondContact O-N 3.22Å; K271-V274 PolarHBondContact O-N 3.31Å; K271-W275 HydrophobicContact CB-CD2 4.06Å; K271-W275 HydrophobicContact CB-CG 4.05Å; K271-W275 HydrophobicContact CD-CD2 4.37Å; K271-W275 HydrophobicContact CD-CH2 4.35Å; K271-W275 HydrophobicContact CD-CZ2 3.63Å; K271-W275 HydrophobicContact CG-CD2 4.43Å; K271-W275 HydrophobicContact CG-CZ2 4.46Å; K271-W275 WeakPolarHBondContact O-CB 3.27Å; K271-W275 PolarHBondContact O-N 2.83Å; K271-E314 IonicContact NZ-OE2 2.96Å; K271-E314 PolarHBondContact NZ-OE2 3.02Å; K271-L333 HydrophobicContact CD-CD1 3.63Å; K271-A336 HydrophobicContact CB-CB 3.91Å |
| 272 | I | 91.9 | Very high | 89.8 | Confident | 23 Ų | 23 | 33.3 Ų | 33.3 | 12% | 0.118 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54 | -41.6 | 177.2 | -57.9 | 166.8 | 0 | 0 | 0 | 112.2 | R269 K270 P276 A332 E335 A336 L339 | R269-I272 PolarHBondContact O-N 3.21Å; K270-I272 VanDerWaalsContact C-N 3.28Å; K270-I272 PolarHBondContact O-N 3.3Å; I272-P276 WeakPolarHBondContact O-CD 3.48Å; I272-P276 WeakPolarHBondContact O-CG 3.42Å; I272-A332 HydrophobicContact CD1-CB 3.76Å; I272-A332 HydrophobicContact CG1-CB 4.15Å; I272-A332 WeakPolarHBondContact CG1-O 3.3Å; I272-E335 VanDerWaalsContact CD1-OE2 3.29Å; I272-E335 WeakPolarHBondContact CD1-OE2 3.22Å; I272-E335 HydrophobicContact CG1-CB 4.45Å; I272-E335 HydrophobicContact CG1-CG 4.38Å; I272-E335 HydrophobicContact CG2-CG 4.25Å; I272-E335 WeakPolarHBondContact CG2-OE1 3.3Å; I272-A336 HydrophobicContact CG1-CB 4.4Å; I272-L339 HydrophobicContact CG2-CD1 3.76Å |
| 273 | L | 91.8 | Very high | 90.5 | Very high | 67 Ų | 67 | 30.2 Ų | 30.2 | 35% | 0.351 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -87.9 | -21.8 | -176.8 | -60 | 178.1 | 0 | 0 | 0 | 113.9 | L217 V221 K270 K271 | L217-L273 HydrophobicContact CB-CD1 4.39Å; L217-L273 HydrophobicContact CD2-CD1 4.31Å; V221-L273 HydrophobicContact CG2-CB 4.47Å; V221-L273 HydrophobicContact CG2-CD2 4.09Å; K270-L273 PolarHBondContact O-N 3.45Å; K271-L273 VanDerWaalsContact C-N 3.26Å; K271-L273 PolarHBondContact O-N 3.22Å |
| 274 | V | 95.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -106.2 | -32.2 | -170.6 | 178.8 | 0 | 0 | 0 | 0 | 112.4 | L217 A220 F260 L263 C264 K270 K271 L277 Q278 | L217-V274 HydrophobicContact CD2-CG2 4.14Å; A220-V274 HydrophobicContact CB-CG2 4.12Å; F260-V274 HydrophobicContact CB-CG1 3.73Å; F260-V274 HydrophobicContact CD1-CG1 3.77Å; F260-V274 HydrophobicContact CD1-CG2 4.17Å; F260-V274 HydrophobicContact CG-CG1 3.97Å; L263-V274 HydrophobicContact CD2-CG2 4.19Å; C264-V274 WeakPolarHBondContact SG-CG1 3.5Å; K270-V274 WeakPolarHBondContact O-CB 3.41Å; K270-V274 WeakPolarHBondContact O-CG2 3.43Å; K270-V274 PolarHBondContact O-N 3.4Å; K270-V274 VanDerWaalsContact O-N 3.14Å; K271-V274 PolarHBondContact O-N 3.31Å; V274-L277 PolarHBondContact O-N 3.14Å; V274-Q278 HydrophobicContact CG1-CG 4Å; V274-Q278 WeakPolarHBondContact O-CG 3.33Å; V274-Q278 PolarHBondContact O-N 3.43Å |
| 275 | W | 96.9 | Very high | 91.8 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.9 | -36.6 | 177.7 | -78.6 | 11.7 | 0 | 0 | 0 | 114.8 | K271 Q278 M279 F311 E314 V315 L333 A336 A337 A340 | K271-W275 HydrophobicContact CB-CD2 4.06Å; K271-W275 HydrophobicContact CB-CG 4.05Å; K271-W275 HydrophobicContact CD-CD2 4.37Å; K271-W275 HydrophobicContact CD-CH2 4.35Å; K271-W275 HydrophobicContact CD-CZ2 3.63Å; K271-W275 HydrophobicContact CG-CD2 4.43Å; K271-W275 HydrophobicContact CG-CZ2 4.46Å; K271-W275 WeakPolarHBondContact O-CB 3.27Å; K271-W275 PolarHBondContact O-N 2.83Å; W275-Q278 VanDerWaalsContact CD1-OE1 3.3Å; W275-Q278 PolarHBondContact O-N 3.25Å; W275-M279 PolarHBondContact O-N 3.11Å; W275-F311 HydrophobicContact CB-CE2 4.03Å; W275-F311 AromaticContact CD1-CE2 3.69Å; W275-F311 HydrophobicContact CD2-CD2 4.41Å; W275-F311 AromaticContact CD2-CE2 3.88Å; W275-F311 HydrophobicContact CD2-CE2 3.88Å; W275-F311 AromaticContact CE2-CE2 3.96Å; W275-F311 HydrophobicContact CG-CD2 4.45Å; W275-F311 AromaticContact CG-CE2 3.67Å; W275-F311 HydrophobicContact CG-CE2 3.67Å; W275-F311 HydrophobicContact CZ2-CD2 4.43Å; W275-F311 AromaticContact NE1-CD2 3.87Å; W275-F311 AromaticContact NE1-CE2 3.83Å; W275-E314 HydrophobicContact CH2-CB 3.84Å; W275-E314 HydrophobicContact CZ2-CB 4.11Å; W275-V315 HydrophobicContact CE3-CG2 3.91Å; W275-V315 HydrophobicContact CH2-CG2 4.25Å; W275-V315 HydrophobicContact CZ3-CG2 3.76Å; W275-L333 HydrophobicContact CH2-CD1 3.46Å; W275-L333 VanDerWaalsContact CH2-CD1 3.46Å; W275-L333 HydrophobicContact CH2-CG 4.37Å; W275-L333 HydrophobicContact CZ2-CD1 4Å; W275-L333 HydrophobicContact CZ3-CD1 3.9Å; W275-A336 HydrophobicContact CB-CB 4.19Å; W275-A336 HydrophobicContact CD2-CB 3.9Å; W275-A336 HydrophobicContact CE3-CB 3.5Å; W275-A336 VanDerWaalsContact CE3-CB 3.5Å; W275-A336 HydrophobicContact CG-CB 4.17Å; W275-A336 HydrophobicContact CZ3-CB 4.26Å; W275-A337 HydrophobicContact CE3-CB 4.49Å; W275-A337 HydrophobicContact CZ3-CB 4.04Å; W275-A340 HydrophobicContact CB-CB 4.24Å |
| 276 | P | 97.6 | Very high | 92.7 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 3% | 0.026 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.9 | -46.6 | 172.7 | -26.7 | 37.5 | 0 | 0 | 0 | 112.2 | E224 I272 M279 M280 L339 | E224-P276 VanDerWaalsContact CD-CB 3.46Å; E224-P276 HydrophobicContact CG-CB 4.24Å; E224-P276 WeakPolarHBondContact OE2-CB 3.36Å; I272-P276 WeakPolarHBondContact O-CD 3.48Å; I272-P276 WeakPolarHBondContact O-CG 3.42Å; P276-M279 PolarHBondContact O-N 3.15Å; P276-M280 WeakPolarHBondContact O-CG 3.44Å; P276-M280 PolarHBondContact O-N 2.93Å; P276-M280 VanDerWaalsContact O-N 3.15Å; P276-L339 HydrophobicContact CG-CB 3.8Å; P276-L339 HydrophobicContact CG-CD1 4.38Å |
| 277 | L | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.3 | -45.2 | 173.4 | 175.7 | 61.1 | 0 | 0 | 0 | 111.8 | A220 L223 E224 I227 F260 V274 M279 M280 L281 | A220-L277 HydrophobicContact CB-CD2 4.24Å; L223-L277 HydrophobicContact CB-CD1 4.01Å; L223-L277 HydrophobicContact CB-CD2 4.08Å; L223-L277 HydrophobicContact CD1-CD2 4.46Å; E224-L277 HydrophobicContact CB-CB 4.32Å; I227-L277 HydrophobicContact CD1-CD1 3.66Å; F260-L277 HydrophobicContact CD2-CD2 3.93Å; F260-L277 HydrophobicContact CE2-CD2 3.49Å; F260-L277 VanDerWaalsContact CE2-CD2 3.49Å; F260-L277 HydrophobicContact CZ-CD2 4.02Å; V274-L277 PolarHBondContact O-N 3.14Å; L277-M279 VanDerWaalsContact C-N 3.28Å; L277-M279 PolarHBondContact O-N 3.22Å; L277-M280 CarbonylContact O-C 3.58Å; L277-M280 PolarHBondContact O-N 3.4Å; L277-L281 HydrophobicContact CD1-CD1 4.2Å; L277-L281 HydrophobicContact CD1-CD2 4.22Å; L277-L281 HydrophobicContact CD1-CG 3.88Å; L277-L281 HydrophobicContact CD2-CD1 4.45Å; L277-L281 HydrophobicContact CG-CD1 3.96Å; L277-L281 HydrophobicContact CG-CG 4.12Å; L277-L281 WeakPolarHBondContact O-CG 3.44Å; L277-L281 PolarHBondContact O-N 2.86Å |
| 278 | Q | 97.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.019 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.2 | -38.4 | 180 | -79 | -169.8 | -74.2 | 0 | 0 | 112.4 | F257 T261 C264 V274 W275 L281 L282 F311 | F257-Q278 HydrophobicContact CD2-CB 3.9Å; F257-Q278 HydrophobicContact CD2-CG 3.94Å; F257-Q278 HydrophobicContact CE2-CB 3.59Å; F257-Q278 HydrophobicContact CE2-CG 3.91Å; F257-Q278 HydrophobicContact CZ-CB 4.37Å; F257-Q278 HydrophobicContact CZ-CG 4.46Å; F257-Q278 VanDerWaalsContact CZ-NE2 3.32Å; T261-Q278 PolarHBondContact OG1-NE2 3.43Å; C264-Q278 PolarHBondContact SG-OE1 3.22Å; V274-Q278 HydrophobicContact CG1-CG 4Å; V274-Q278 WeakPolarHBondContact O-CG 3.33Å; V274-Q278 PolarHBondContact O-N 3.43Å; W275-Q278 VanDerWaalsContact CD1-OE1 3.3Å; W275-Q278 PolarHBondContact O-N 3.25Å; Q278-L281 PolarHBondContact O-N 2.61Å; Q278-L282 WeakPolarHBondContact O-CG 3.27Å; Q278-L282 PolarHBondContact O-N 3.41Å; Q278-F311 HydrophobicContact CB-CD2 4.42Å; Q278-F311 HydrophobicContact CB-CE1 4.45Å; Q278-F311 HydrophobicContact CB-CE2 3.82Å; Q278-F311 HydrophobicContact CB-CZ 3.84Å |
| 279 | M | 98.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.4 | -46.9 | 171.8 | -172.5 | 66.3 | 72.6 | 0 | 0 | 111.5 | W275 P276 L277 L281 L282 V283 F311 M312 V315 A340 L344 | W275-M279 PolarHBondContact O-N 3.11Å; P276-M279 PolarHBondContact O-N 3.15Å; L277-M279 VanDerWaalsContact C-N 3.28Å; L277-M279 PolarHBondContact O-N 3.22Å; M279-L281 VanDerWaalsContact C-N 3.28Å; M279-L281 PolarHBondContact O-N 3.16Å; M279-L282 PolarHBondContact O-N 3.22Å; M279-L282 VanDerWaalsContact O-N 3.12Å; M279-V283 HydrophobicContact CG-CG2 4.42Å; M279-V283 WeakPolarHBondContact O-CG2 3.36Å; M279-V283 PolarHBondContact O-N 2.93Å; M279-F311 HydrophobicContact CB-CE1 4.38Å; M279-F311 HydrophobicContact CB-CZ 4.22Å; M279-F311 HydrophobicContact CE-CE1 3.88Å; M279-F311 HydrophobicContact CE-CZ 4.24Å; M279-F311 HydrophobicContact SD-CE1 4.26Å; M279-M312 HydrophobicContact CE-CE 4.43Å; M279-M312 HydrophobicContact CE-SD 3.84Å; M279-M312 HydrophobicContact SD-CE 4.49Å; M279-M312 HydrophobicContact SD-SD 3.94Å; M279-V315 HydrophobicContact CE-CG1 4.38Å; M279-V315 HydrophobicContact CE-CG2 4.5Å; M279-A340 HydrophobicContact CB-CB 4.11Å; M279-A340 HydrophobicContact CE-CB 4.19Å; M279-A340 WeakPolarHBondContact CG-O 3.31Å; M279-L344 HydrophobicContact CE-CB 4.44Å; M279-L344 HydrophobicContact CE-CD2 4.35Å; M279-L344 HydrophobicContact CG-CB 3.95Å; M279-L344 HydrophobicContact SD-CB 4.05Å; M279-L344 HydrophobicContact SD-CD1 4.3Å; M279-L344 HydrophobicContact SD-CD2 4.22Å; M279-L344 HydrophobicContact SD-CG 4.41Å |
| 280 | M | 98.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63 | -32.9 | 179.1 | -66.1 | -53.3 | -68.1 | 0 | 0 | 112.8 | E224 I227 W228 P276 L277 V283 L284 N343 A347 | E224-M280 HydrophobicContact CG-CG 4.44Å; I227-M280 HydrophobicContact CD1-CB 4.27Å; I227-M280 HydrophobicContact CG2-CB 4.29Å; I227-M280 HydrophobicContact CG2-CE 3.85Å; W228-M280 HydrophobicContact CD2-CE 4.17Å; W228-M280 HydrophobicContact CE3-CE 4.37Å; W228-M280 HydrophobicContact CH2-CE 3.86Å; W228-M280 HydrophobicContact CH2-SD 4.02Å; W228-M280 HydrophobicContact CZ2-CE 3.69Å; W228-M280 HydrophobicContact CZ2-CG 4.49Å; W228-M280 HydrophobicContact CZ2-SD 3.48Å; W228-M280 WeakPolarHBondContact CZ2-SD 3.22Å; W228-M280 HydrophobicContact CZ3-CE 4.23Å; P276-M280 WeakPolarHBondContact O-CG 3.44Å; P276-M280 PolarHBondContact O-N 2.93Å; P276-M280 VanDerWaalsContact O-N 3.15Å; L277-M280 CarbonylContact O-C 3.58Å; L277-M280 PolarHBondContact O-N 3.4Å; M280-V283 PolarHBondContact O-N 2.82Å; M280-L284 WeakPolarHBondContact O-CG 3.43Å; M280-L284 PolarHBondContact O-N 3.35Å; M280-N343 HydrophobicContact SD-CB 4Å; M280-A347 HydrophobicContact CE-CB 4.37Å; M280-A347 HydrophobicContact SD-CB 4.42Å |
| 281 | L | 98.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.5 | -37.5 | 172.7 | -68.5 | 174.6 | 0 | 0 | 0 | 112.6 | I227 C253 L256 F257 L277 Q278 M279 L284 C285 | I227-L281 HydrophobicContact CD1-CD2 4.18Å; C253-L281 HydrophobicContact CB-CD2 4.16Å; L256-L281 HydrophobicContact CB-CD1 4.12Å; L256-L281 HydrophobicContact CD2-CD1 4.02Å; L256-L281 HydrophobicContact CD2-CD2 4.08Å; L256-L281 HydrophobicContact CG-CD1 3.98Å; F257-L281 HydrophobicContact CB-CD1 4.31Å; F257-L281 HydrophobicContact CD2-CB 4.49Å; L277-L281 HydrophobicContact CD1-CD1 4.2Å; L277-L281 HydrophobicContact CD1-CD2 4.22Å; L277-L281 HydrophobicContact CD1-CG 3.88Å; L277-L281 HydrophobicContact CD2-CD1 4.45Å; L277-L281 HydrophobicContact CG-CD1 3.96Å; L277-L281 HydrophobicContact CG-CG 4.12Å; L277-L281 WeakPolarHBondContact O-CG 3.44Å; L277-L281 PolarHBondContact O-N 2.86Å; Q278-L281 PolarHBondContact O-N 2.61Å; M279-L281 VanDerWaalsContact C-N 3.28Å; M279-L281 PolarHBondContact O-N 3.16Å; L281-L284 PolarHBondContact O-N 2.95Å; L281-C285 PolarHBondContact O-SG 3.34Å; L281-C285 VanDerWaalsContact O-SG 3.38Å |
| 282 | L | 97.8 | Very high | 96.2 | Very high | 3 Ų | 3 | 17.1 Ų | 17.1 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -71.8 | -34.7 | 173.8 | -64.9 | 180 | 0 | 0 | 0 | 112.4 | F257 Q278 M279 L284 C285 L289 K308 F311 M312 | F257-L282 HydrophobicContact CD2-CD2 3.93Å; F257-L282 HydrophobicContact CD2-CG 3.95Å; F257-L282 HydrophobicContact CE2-CD1 3.73Å; F257-L282 HydrophobicContact CE2-CD2 3.84Å; F257-L282 HydrophobicContact CE2-CG 3.62Å; F257-L282 HydrophobicContact CZ-CD1 4.26Å; F257-L282 HydrophobicContact CZ-CD2 4.49Å; Q278-L282 WeakPolarHBondContact O-CG 3.27Å; Q278-L282 PolarHBondContact O-N 3.41Å; M279-L282 PolarHBondContact O-N 3.22Å; M279-L282 VanDerWaalsContact O-N 3.12Å; L282-L284 PolarHBondContact O-N 3Å; L282-C285 CarbonylContact O-C 3.6Å; L282-C285 WeakPolarHBondContact O-CA 3.23Å; L282-C285 PolarHBondContact O-N 2.88Å; L282-L289 HydrophobicContact CB-CD2 3.94Å; L282-L289 HydrophobicContact CB-CG 4.35Å; L282-L289 HydrophobicContact CD1-CD2 4.42Å; L282-L289 WeakPolarHBondContact O-CD1 3.18Å; L282-K308 HydrophobicContact CD2-CB 3.9Å; L282-K308 HydrophobicContact CD2-CG 3.77Å; L282-F311 HydrophobicContact CD1-CD1 3.59Å; L282-F311 HydrophobicContact CD1-CE1 3.84Å; L282-M312 HydrophobicContact CD1-CG 4.27Å; L282-M312 HydrophobicContact CD1-SD 4.13Å |
| 283 | V | 97.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.006 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.7 | -29 | 174.7 | 162.1 | 0 | 0 | 0 | 0 | 112 | F238 Q242 M279 M280 C285 L344 A347 L360 | F238-V283 HydrophobicContact CE2-CG1 3.72Å; F238-V283 HydrophobicContact CZ-CG1 3.67Å; Q242-V283 PolarHBondContact NE2-O 3.41Å; M279-V283 HydrophobicContact CG-CG2 4.42Å; M279-V283 WeakPolarHBondContact O-CG2 3.36Å; M279-V283 PolarHBondContact O-N 2.93Å; M280-V283 PolarHBondContact O-N 2.82Å; V283-C285 VanDerWaalsContact C-N 3.27Å; V283-C285 PolarHBondContact O-N 2.88Å; V283-L344 HydrophobicContact CG2-CD1 3.95Å; V283-A347 HydrophobicContact CG1-CB 3.96Å; V283-L360 HydrophobicContact CG1-CD1 4.01Å; V283-L360 HydrophobicContact CG2-CD1 4.48Å; V283-L360 HydrophobicContact CG2-CD2 4.2Å |
| 284 | L | 97.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 17.9 Ų | 17.9 | 2% | 0.021 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -11.2 | 171.7 | -66 | 170 | 0 | 0 | 0 | 113.8 | I227 W230 L241 M280 L281 L282 P286 | I227-L284 HydrophobicContact CD1-CD1 4.15Å; I227-L284 HydrophobicContact CG1-CD1 4.4Å; I227-L284 HydrophobicContact CG2-CD1 4.39Å; W230-L284 HydrophobicContact CE3-CD2 4.32Å; W230-L284 HydrophobicContact CH2-CD2 3.89Å; W230-L284 HydrophobicContact CZ3-CD2 3.44Å; W230-L284 VanDerWaalsContact CZ3-CD2 3.44Å; L241-L284 HydrophobicContact CD2-CD2 3.84Å; M280-L284 WeakPolarHBondContact O-CG 3.43Å; M280-L284 PolarHBondContact O-N 3.35Å; L281-L284 PolarHBondContact O-N 2.95Å; L282-L284 PolarHBondContact O-N 3Å; L284-P286 VanDerWaalsContact C-CD 3.43Å; L284-P286 VanDerWaalsContact O-CD 3.26Å; L284-P286 WeakPolarHBondContact O-CD 3.28Å |
| 285 | C | 96.8 | Very high | 96.3 | Very high | 4 Ų | 4 | 18.8 Ų | 18.8 | 3% | 0.027 | 9% | 0.094 | C | C | . | . | trans | -119 | 64.9 | -174.8 | -57.8 | 0 | 0 | 0 | 0 | 112.4 | L281 L282 V283 K287 I288 L289 | L281-C285 PolarHBondContact O-SG 3.34Å; L281-C285 VanDerWaalsContact O-SG 3.38Å; L282-C285 CarbonylContact O-C 3.6Å; L282-C285 WeakPolarHBondContact O-CA 3.23Å; L282-C285 PolarHBondContact O-N 2.88Å; V283-C285 VanDerWaalsContact C-N 3.27Å; V283-C285 PolarHBondContact O-N 2.88Å; C285-K287 VanDerWaalsContact C-N 3.35Å; C285-K287 PolarHBondContact O-N 2.99Å; C285-I288 HydrophobicContact CB-CB 4.21Å; C285-I288 HydrophobicContact CB-CD1 3.62Å; C285-I288 HydrophobicContact CB-CG1 3.9Å; C285-I288 WeakPolarHBondContact O-CB 3.48Å; C285-I288 PolarHBondContact O-N 3.17Å; C285-L289 PolarHBondContact O-N 3.18Å | ||
| 286 | P | 95.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.013 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -56.9 | -39.2 | -172 | 22.3 | -35 | 0 | 0 | 0 | 114.3 | P245 L284 I288 L289 E290 I359 | P245-P286 HydrophobicContact CB-CG 4.01Å; P245-P286 HydrophobicContact CG-CG 3.74Å; L284-P286 VanDerWaalsContact C-CD 3.43Å; L284-P286 VanDerWaalsContact O-CD 3.26Å; L284-P286 WeakPolarHBondContact O-CD 3.28Å; P286-I288 PolarHBondContact O-N 3.17Å; P286-L289 PolarHBondContact O-N 2.99Å; P286-L289 VanDerWaalsContact O-N 3.11Å; P286-E290 WeakPolarHBondContact O-CG 3.18Å; P286-E290 PolarHBondContact O-N 3.31Å; P286-I359 HydrophobicContact CB-CG2 4.37Å |
| 287 | K | 94.4 | Very high | 95.3 | Very high | 96 Ų | 96 | 28.2 Ų | 28.2 | 42% | 0.417 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -52.8 | -40.4 | 175.1 | -67.9 | 178.7 | 176 | 172.1 | 0 | 112.8 | P245 D247 C285 E290 E291 | P245-K287 HydrophobicContact CB-CD 4.27Å; P245-K287 HydrophobicContact CB-CG 4.11Å; P245-K287 HydrophobicContact CG-CG 4.03Å; D247-K287 VanDerWaalsContact CG-NZ 3.31Å; D247-K287 IonicContact OD1-NZ 2.64Å; D247-K287 PolarHBondContact OD1-NZ 3.1Å; D247-K287 IonicContact OD2-NZ 3.17Å; D247-K287 PolarHBondContact OD2-NZ 2.89Å; C285-K287 VanDerWaalsContact C-N 3.35Å; C285-K287 PolarHBondContact O-N 2.99Å; K287-E290 PolarHBondContact O-N 3.45Å; K287-E291 PolarHBondContact O-N 2.94Å |
| 288 | I | 95.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -72 | -40.8 | -178.4 | -52.4 | -176.9 | 0 | 0 | 0 | 110.1 | E254 C285 P286 E290 E291 I292 Y305 | E254-I288 HydrophobicContact CG-CD1 3.36Å; E254-I288 VanDerWaalsContact OE1-CD1 3.29Å; E254-I288 WeakPolarHBondContact OE1-CD1 3.49Å; C285-I288 HydrophobicContact CB-CB 4.21Å; C285-I288 HydrophobicContact CB-CD1 3.62Å; C285-I288 HydrophobicContact CB-CG1 3.9Å; C285-I288 WeakPolarHBondContact O-CB 3.48Å; C285-I288 PolarHBondContact O-N 3.17Å; P286-I288 PolarHBondContact O-N 3.17Å; I288-E290 VanDerWaalsContact C-N 3.32Å; I288-E291 PolarHBondContact O-N 3.2Å; I288-I292 HydrophobicContact CG2-CD1 3.88Å; I288-I292 HydrophobicContact CG2-CG1 4.44Å; I288-I292 WeakPolarHBondContact O-CB 3.35Å; I288-I292 WeakPolarHBondContact O-CD1 3.37Å; I288-I292 WeakPolarHBondContact O-CG1 3.38Å; I288-I292 PolarHBondContact O-N 3.42Å; I288-Y305 HydrophobicContact CD1-CD1 4.41Å; I288-Y305 HydrophobicContact CD1-CE1 3.9Å; I288-Y305 HydrophobicContact CG1-CE1 4Å; I288-Y305 HydrophobicContact CG1-CE2 4.34Å; I288-Y305 HydrophobicContact CG2-CD1 3.83Å; I288-Y305 HydrophobicContact CG2-CD2 4.11Å; I288-Y305 HydrophobicContact CG2-CE1 4.16Å; I288-Y305 HydrophobicContact CG2-CE2 4.4Å; I288-Y305 HydrophobicContact CG2-CG 3.83Å |
| 289 | L | 95.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.4 | -37.6 | 174.9 | -71.7 | -179.3 | 0 | 0 | 0 | 111.9 | L282 C285 P286 N293 I359 L360 L363 | L282-L289 HydrophobicContact CB-CD2 3.94Å; L282-L289 HydrophobicContact CB-CG 4.35Å; L282-L289 HydrophobicContact CD1-CD2 4.42Å; L282-L289 WeakPolarHBondContact O-CD1 3.18Å; C285-L289 PolarHBondContact O-N 3.18Å; P286-L289 PolarHBondContact O-N 2.99Å; P286-L289 VanDerWaalsContact O-N 3.11Å; L289-N293 WeakPolarHBondContact O-CB 3.41Å; L289-N293 PolarHBondContact O-N 3.16Å; L289-I359 HydrophobicContact CB-CG1 3.81Å; L289-I359 HydrophobicContact CB-CG2 4.14Å; L289-L360 HydrophobicContact CD1-CD2 3.52Å; L289-L363 HydrophobicContact CB-CD1 4.01Å; L289-L363 HydrophobicContact CD1-CD1 4Å; L289-L363 HydrophobicContact CD2-CD1 3.84Å; L289-L363 HydrophobicContact CG-CD1 4.18Å |
| 290 | E | 94.6 | Very high | 94.3 | Very high | 87 Ų | 87 | 39 Ų | 39 | 41% | 0.407 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.9 | -48.1 | 173.4 | -73.5 | 173.1 | -174.1 | 0 | 0 | 111.2 | P286 K287 I288 I292 N293 N294 I359 | P286-E290 WeakPolarHBondContact O-CG 3.18Å; P286-E290 PolarHBondContact O-N 3.31Å; K287-E290 PolarHBondContact O-N 3.45Å; I288-E290 VanDerWaalsContact C-N 3.32Å; E290-I292 PolarHBondContact O-N 3.01Å; E290-N293 PolarHBondContact O-N 3.39Å; E290-N294 WeakPolarHBondContact O-CB 3.3Å; E290-N294 PolarHBondContact O-N 3.48Å; E290-N294 PolarHBondContact O-ND2 2.99Å; E290-N294 PolarHBondContact O-OD1 3.08Å; E290-I359 HydrophobicContact CG-CB 3.83Å; E290-I359 HydrophobicContact CG-CG1 4.1Å; E290-I359 HydrophobicContact CG-CG2 4.09Å |
| 291 | E | 95.5 | Very high | 94.1 | Very high | 52 Ų | 52 | 40.6 Ų | 40.6 | 24% | 0.243 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.6 | -40.6 | 178.7 | -155.8 | -175 | 113.8 | 0 | 0 | 112.5 | K287 I288 N293 N294 A295 L301 S302 Y305 | K287-E291 PolarHBondContact O-N 2.94Å; I288-E291 PolarHBondContact O-N 3.2Å; E291-N293 PolarHBondContact O-N 3.01Å; E291-N294 PolarHBondContact O-N 3.3Å; E291-A295 WeakPolarHBondContact O-CB 3.25Å; E291-A295 PolarHBondContact O-N 2.97Å; E291-L301 HydrophobicContact CB-CD1 4.34Å; E291-L301 HydrophobicContact CG-CD1 4.04Å; E291-S302 VanDerWaalsContact OE1-CB 3.23Å; E291-S302 WeakPolarHBondContact OE1-CB 3.42Å; E291-S302 PolarHBondContact OE1-N 3.48Å; E291-S302 PolarHBondContact OE1-OG 2.9Å; E291-S302 PolarHBondContact OE2-OG 3.1Å; E291-Y305 HydrophobicContact CB-CD2 4.37Å; E291-Y305 WeakPolarHBondContact OE1-CD2 3.41Å; E291-Y305 WeakPolarHBondContact OE2-CE2 3.38Å |
| 292 | I | 95.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58 | -47.1 | 174.1 | -72 | 168.3 | 0 | 0 | 0 | 111.1 | I288 E290 A295 E296 L301 K308 K309 M312 | I288-I292 HydrophobicContact CG2-CD1 3.88Å; I288-I292 HydrophobicContact CG2-CG1 4.44Å; I288-I292 WeakPolarHBondContact O-CB 3.35Å; I288-I292 WeakPolarHBondContact O-CD1 3.37Å; I288-I292 WeakPolarHBondContact O-CG1 3.38Å; I288-I292 PolarHBondContact O-N 3.42Å; E290-I292 PolarHBondContact O-N 3.01Å; I292-A295 PolarHBondContact O-N 2.9Å; I292-E296 PolarHBondContact O-N 3.03Å; I292-E296 VanDerWaalsContact O-N 3.13Å; I292-L301 HydrophobicContact CG1-CD1 4.17Å; I292-K308 HydrophobicContact CD1-CB 3.77Å; I292-K309 HydrophobicContact CG1-CB 4.13Å; I292-K309 HydrophobicContact CG2-CB 4.08Å; I292-K309 HydrophobicContact CG2-CG 4.05Å; I292-M312 HydrophobicContact CG2-CG 4.48Å |
| 293 | N | 93.8 | Very high | 93.6 | Very high | 26 Ų | 26 | 47.9 Ų | 47.9 | 14% | 0.139 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68 | -37.6 | 178.2 | 172.9 | 92.5 | 0 | 0 | 0 | 112.3 | L289 E290 E291 A295 E296 N297 I359 | L289-N293 WeakPolarHBondContact O-CB 3.41Å; L289-N293 PolarHBondContact O-N 3.16Å; E290-N293 PolarHBondContact O-N 3.39Å; E291-N293 PolarHBondContact O-N 3.01Å; N293-A295 VanDerWaalsContact C-N 3.29Å; N293-A295 PolarHBondContact O-N 3.47Å; N293-E296 WeakPolarHBondContact O-CB 3.19Å; N293-E296 PolarHBondContact O-N 3.4Å; N293-N297 PolarHBondContact O-N 3.28Å; N293-N297 PolarHBondContact O-ND2 3.43Å; N293-I359 HydrophobicContact CB-CD1 3.52Å |
| 294 | N | 93.6 | Very high | 93.3 | Very high | 80 Ų | 80 | 53.5 Ų | 53.5 | 43% | 0.428 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.4 | -34.6 | 175.2 | -67 | -20.4 | 0 | 0 | 0 | 111.1 | E290 E291 N297 G298 A299 | E290-N294 WeakPolarHBondContact O-CB 3.3Å; E290-N294 PolarHBondContact O-N 3.48Å; E290-N294 PolarHBondContact O-ND2 2.99Å; E290-N294 PolarHBondContact O-OD1 3.08Å; E291-N294 PolarHBondContact O-N 3.3Å; N294-N297 CarbonylContact O-C 3.57Å; N294-N297 WeakPolarHBondContact O-CA 3.31Å; N294-N297 WeakPolarHBondContact O-CB 3.31Å; N294-N297 PolarHBondContact O-N 3.2Å; N294-G298 PolarHBondContact O-N 3.09Å; N294-A299 HydrophobicContact CB-CB 4.01Å; N294-A299 VanDerWaalsContact O-CB 3.24Å; N294-A299 WeakPolarHBondContact O-CB 3.4Å; N294-A299 PolarHBondContact O-N 3.05Å |
| 295 | A | 93.5 | Very high | 93.2 | Very high | 18 Ų | 18 | 55.1 Ų | 55.1 | 15% | 0.149 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.1 | -27.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E291 I292 N293 N297 G298 A299 L301 K309 | E291-A295 WeakPolarHBondContact O-CB 3.25Å; E291-A295 PolarHBondContact O-N 2.97Å; I292-A295 PolarHBondContact O-N 2.9Å; N293-A295 VanDerWaalsContact C-N 3.29Å; N293-A295 PolarHBondContact O-N 3.47Å; A295-N297 PolarHBondContact O-N 3.44Å; A295-G298 PolarHBondContact O-N 3.3Å; A295-G298 VanDerWaalsContact O-N 3.13Å; A295-A299 WeakPolarHBondContact CA-O 3.31Å; A295-L301 HydrophobicContact CB-CB 3.78Å; A295-L301 HydrophobicContact CB-CD1 3.91Å; A295-L301 HydrophobicContact CB-CG 4.31Å; A295-K309 HydrophobicContact CB-CD 4.47Å |
| 296 | E | 86.4 | Confident | 93.1 | Very high | 78 Ų | 78 | 60.4 Ų | 60.4 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.8 | -26.3 | 167 | -68.3 | -179.1 | -130.9 | 0 | 0 | 112.1 | I292 N293 G298 R316 | I292-E296 PolarHBondContact O-N 3.03Å; I292-E296 VanDerWaalsContact O-N 3.13Å; N293-E296 WeakPolarHBondContact O-CB 3.19Å; N293-E296 PolarHBondContact O-N 3.4Å; E296-G298 VanDerWaalsContact C-N 3.34Å; E296-R316 IonicContact OE1-CZ 2.87Å; E296-R316 IonicContact OE1-NE 3.4Å; E296-R316 IonicContact OE1-NH2 3.56Å; E296-R316 PolarHBondContact OE1-NH2 3.22Å; E296-R316 IonicContact OE2-CZ 2.78Å; E296-R316 IonicContact OE2-NE 2.69Å; E296-R316 IonicContact OE2-NH1 2.81Å; E296-R316 IonicContact OE2-NH2 3.18Å; E296-R316 PolarHBondContact OE2-NH2 3.25Å |
| 297 | N | 87.4 | Confident | 93 | Very high | 129 Ų | 129 | 65.4 Ų | 65.4 | 69% | 0.69 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 11.1 | 173.1 | -66.1 | -81.7 | 0 | 0 | 0 | 113.5 | N293 N294 A295 | N293-N297 PolarHBondContact O-N 3.28Å; N293-N297 PolarHBondContact O-ND2 3.43Å; N294-N297 CarbonylContact O-C 3.57Å; N294-N297 WeakPolarHBondContact O-CA 3.31Å; N294-N297 WeakPolarHBondContact O-CB 3.31Å; N294-N297 PolarHBondContact O-N 3.2Å; A295-N297 PolarHBondContact O-N 3.44Å |
| 298 | G | 88.6 | Confident | 93.1 | Very high | 68 Ų | 68 | 61 Ų | 61 | 70% | 0.701 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91 | 7.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | N294 A295 E296 | N294-G298 PolarHBondContact O-N 3.09Å; A295-G298 PolarHBondContact O-N 3.3Å; A295-G298 VanDerWaalsContact O-N 3.13Å; E296-G298 VanDerWaalsContact C-N 3.34Å |
| 299 | A | 93 | Very high | 93.1 | Very high | 42 Ų | 42 | 62.6 Ų | 62.6 | 35% | 0.347 | 35% | 0.351 | S | S | . | . | trans | -66.6 | 154.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N294 A295 | N294-A299 HydrophobicContact CB-CB 4.01Å; N294-A299 VanDerWaalsContact O-CB 3.24Å; N294-A299 WeakPolarHBondContact O-CB 3.4Å; N294-A299 PolarHBondContact O-N 3.05Å; A295-A299 WeakPolarHBondContact CA-O 3.31Å | ||
| 300 | P | 91.4 | Very high | 93 | Very high | 121 Ų | 121 | 67.7 Ų | 67.7 | 79% | 0.786 | 38% | 0.375 | S | S | * | . | trans | -63.5 | 142.4 | 167.7 | 28.5 | -34.7 | 0 | 0 | 0 | 110.6 | ||||
| 301 | L | 93.7 | Very high | 93.1 | Very high | 35 Ų | 35 | 64 Ų | 64 | 18% | 0.183 | 36% | 0.358 | C | S | . | . | trans | -110.2 | 138.2 | 173.2 | -171.2 | 73.5 | 0 | 0 | 0 | 110 | E291 I292 A295 Y305 K309 | E291-L301 HydrophobicContact CB-CD1 4.34Å; E291-L301 HydrophobicContact CG-CD1 4.04Å; I292-L301 HydrophobicContact CG1-CD1 4.17Å; A295-L301 HydrophobicContact CB-CB 3.78Å; A295-L301 HydrophobicContact CB-CD1 3.91Å; A295-L301 HydrophobicContact CB-CG 4.31Å; L301-Y305 HydrophobicContact CD1-CD2 4.48Å; L301-K309 HydrophobicContact CD2-CB 3.81Å; L301-K309 HydrophobicContact CD2-CD 3.85Å; L301-K309 HydrophobicContact CD2-CG 4.44Å | ||
| 302 | S | 93.9 | Very high | 93.1 | Very high | 37 Ų | 37 | 61.9 Ų | 61.9 | 26% | 0.259 | 35% | 0.348 | S | S | . | . | trans | -61.9 | 132.8 | 172 | -56.6 | 0 | 0 | 0 | 0 | 110.5 | E291 E304 Y305 | E291-S302 VanDerWaalsContact OE1-CB 3.23Å; E291-S302 WeakPolarHBondContact OE1-CB 3.42Å; E291-S302 PolarHBondContact OE1-N 3.48Å; E291-S302 PolarHBondContact OE1-OG 2.9Å; E291-S302 PolarHBondContact OE2-OG 3.1Å; S302-E304 PolarHBondContact O-N 3.07Å; S302-E304 VanDerWaalsContact O-N 3.11Å; S302-Y305 PolarHBondContact O-N 3.27Å | ||
| 303 | P | 92.3 | Very high | 93.1 | Very high | 120 Ų | 120 | 64.2 Ų | 64.2 | 78% | 0.779 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24.2 | -169.3 | 24.8 | -34.6 | 0 | 0 | 0 | 113.5 | Y305 Q306 | P303-Y305 VanDerWaalsContact C-N 3.31Å; P303-Q306 VanDerWaalsContact O-CB 3.31Å; P303-Q306 WeakPolarHBondContact O-CB 3.5Å; P303-Q306 PolarHBondContact O-N 3.01Å |
| 304 | E | 91.7 | Very high | 93.1 | Very high | 120 Ų | 120 | 65.6 Ų | 65.6 | 56% | 0.561 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -24 | 173.5 | 61.7 | -157.1 | 159.8 | 0 | 0 | 113.8 | S302 K308 | S302-E304 PolarHBondContact O-N 3.07Å; S302-E304 VanDerWaalsContact O-N 3.11Å; E304-K308 WeakPolarHBondContact O-CD 3.47Å; E304-K308 PolarHBondContact O-NZ 3.34Å |
| 305 | Y | 94.8 | Very high | 93.1 | Very high | 37 Ų | 37 | 62 Ų | 62 | 15% | 0.145 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -10.4 | 176 | -57 | -20.5 | 0 | 0 | 0 | 113.4 | E254 I288 E291 L301 S302 P303 K307 K308 K309 | E254-Y305 WeakPolarHBondContact OE1-CE1 3.47Å; E254-Y305 WeakPolarHBondContact OE2-CE1 3.26Å; I288-Y305 HydrophobicContact CD1-CD1 4.41Å; I288-Y305 HydrophobicContact CD1-CE1 3.9Å; I288-Y305 HydrophobicContact CG1-CE1 4Å; I288-Y305 HydrophobicContact CG1-CE2 4.34Å; I288-Y305 HydrophobicContact CG2-CD1 3.83Å; I288-Y305 HydrophobicContact CG2-CD2 4.11Å; I288-Y305 HydrophobicContact CG2-CE1 4.16Å; I288-Y305 HydrophobicContact CG2-CE2 4.4Å; I288-Y305 HydrophobicContact CG2-CG 3.83Å; E291-Y305 HydrophobicContact CB-CD2 4.37Å; E291-Y305 WeakPolarHBondContact OE1-CD2 3.41Å; E291-Y305 WeakPolarHBondContact OE2-CE2 3.38Å; L301-Y305 HydrophobicContact CD1-CD2 4.48Å; S302-Y305 PolarHBondContact O-N 3.27Å; P303-Y305 VanDerWaalsContact C-N 3.31Å; Y305-K307 VanDerWaalsContact C-N 3.27Å; Y305-K307 PolarHBondContact O-N 3.16Å; Y305-K307 VanDerWaalsContact O-N 3.15Å; Y305-K308 HydrophobicContact CD1-CD 4.29Å; Y305-K308 CarbonylContact O-C 3.19Å; Y305-K308 WeakPolarHBondContact O-CA 3.43Å; Y305-K308 WeakPolarHBondContact O-CB 3.18Å; Y305-K308 PolarHBondContact O-N 3.42Å; Y305-K309 PolarHBondContact O-N 2.88Å |
| 306 | Q | 94.3 | Very high | 93.2 | Very high | 115 Ų | 115 | 63.2 Ų | 63.2 | 54% | 0.537 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -54.1 | -38.5 | -178.4 | -173.9 | 67.6 | -2.7 | 0 | 0 | 113.5 | P303 Q310 | P303-Q306 VanDerWaalsContact O-CB 3.31Å; P303-Q306 WeakPolarHBondContact O-CB 3.5Å; P303-Q306 PolarHBondContact O-N 3.01Å; Q306-Q310 WeakPolarHBondContact O-CB 3.13Å; Q306-Q310 PolarHBondContact O-N 3.01Å |
| 307 | K | 93.8 | Very high | 93.5 | Very high | 107 Ų | 107 | 67.6 Ų | 67.6 | 47% | 0.465 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70.7 | -35.2 | 175.3 | -60.3 | -178.3 | -158.2 | 161.6 | 0 | 112.8 | D258 T261 Y305 Q310 F311 | D258-K307 WeakPolarHBondContact OD1-CD 3.4Å; D258-K307 WeakPolarHBondContact OD1-CE 3.13Å; D258-K307 IonicContact OD1-NZ 3.79Å; D258-K307 PolarHBondContact OD1-NZ 3.44Å; T261-K307 HydrophobicContact CG2-CD 4.44Å; Y305-K307 VanDerWaalsContact C-N 3.27Å; Y305-K307 PolarHBondContact O-N 3.16Å; Y305-K307 VanDerWaalsContact O-N 3.15Å; K307-Q310 PolarHBondContact O-N 3.39Å; K307-F311 PolarHBondContact O-N 3.07Å |
| 308 | K | 96 | Very high | 93.7 | Very high | 3 Ų | 3 | 61.9 Ų | 61.9 | 1% | 0.013 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.9 | -40.3 | 178.4 | -63.7 | 102.8 | -173.8 | -174.2 | 0 | 110 | E254 F257 D258 L282 I292 E304 Y305 F311 M312 | E254-K308 WeakPolarHBondContact OE2-CE 3.4Å; E254-K308 IonicContact OE2-NZ 3.52Å; E254-K308 PolarHBondContact OE2-NZ 2.9Å; F257-K308 HydrophobicContact CD1-CG 3.91Å; F257-K308 HydrophobicContact CE1-CB 4.49Å; F257-K308 HydrophobicContact CE1-CG 3.76Å; F257-K308 HydrophobicContact CG-CG 4.45Å; F257-K308 HydrophobicContact CZ-CG 4.12Å; D258-K308 WeakPolarHBondContact OD2-CE 3.43Å; D258-K308 IonicContact OD2-NZ 2.85Å; D258-K308 PolarHBondContact OD2-NZ 3.09Å; L282-K308 HydrophobicContact CD2-CB 3.9Å; L282-K308 HydrophobicContact CD2-CG 3.77Å; I292-K308 HydrophobicContact CD1-CB 3.77Å; E304-K308 WeakPolarHBondContact O-CD 3.47Å; E304-K308 PolarHBondContact O-NZ 3.34Å; Y305-K308 HydrophobicContact CD1-CD 4.29Å; Y305-K308 CarbonylContact O-C 3.19Å; Y305-K308 WeakPolarHBondContact O-CA 3.43Å; Y305-K308 WeakPolarHBondContact O-CB 3.18Å; Y305-K308 PolarHBondContact O-N 3.42Å; K308-F311 PolarHBondContact O-N 2.94Å; K308-M312 PolarHBondContact O-N 3.44Å |
| 309 | K | 95.5 | Very high | 94 | Very high | 38 Ų | 38 | 58.7 Ų | 58.7 | 17% | 0.165 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60 | -48 | 167 | -176.7 | 165.9 | -166.1 | -57.7 | 0 | 112.4 | I292 A295 L301 Y305 F311 M312 D313 | I292-K309 HydrophobicContact CG1-CB 4.13Å; I292-K309 HydrophobicContact CG2-CB 4.08Å; I292-K309 HydrophobicContact CG2-CG 4.05Å; A295-K309 HydrophobicContact CB-CD 4.47Å; L301-K309 HydrophobicContact CD2-CB 3.81Å; L301-K309 HydrophobicContact CD2-CD 3.85Å; L301-K309 HydrophobicContact CD2-CG 4.44Å; Y305-K309 PolarHBondContact O-N 2.88Å; K309-F311 VanDerWaalsContact C-N 3.27Å; K309-F311 PolarHBondContact O-N 2.96Å; K309-M312 PolarHBondContact O-N 2.94Å; K309-M312 VanDerWaalsContact O-N 3.1Å; K309-D313 WeakPolarHBondContact CG-OD2 3.49Å; K309-D313 IonicContact NZ-OD1 3.31Å; K309-D313 PolarHBondContact NZ-OD1 3.41Å; K309-D313 IonicContact NZ-OD2 2.69Å; K309-D313 PolarHBondContact NZ-OD2 3.16Å; K309-D313 PolarHBondContact O-N 3.37Å |
| 310 | Q | 94.6 | Very high | 93.8 | Very high | 108 Ų | 108 | 59.4 Ų | 59.4 | 51% | 0.505 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.6 | -39 | 178.1 | -178.1 | -176.7 | -24.9 | 0 | 0 | 112.1 | Q306 K307 D313 E314 | Q306-Q310 WeakPolarHBondContact O-CB 3.13Å; Q306-Q310 PolarHBondContact O-N 3.01Å; K307-Q310 PolarHBondContact O-N 3.39Å; Q310-D313 PolarHBondContact O-N 3.29Å; Q310-E314 HydrophobicContact CG-CG 4.42Å; Q310-E314 PolarHBondContact NE2-OE1 3.15Å; Q310-E314 WeakPolarHBondContact O-CB 3.43Å; Q310-E314 WeakPolarHBondContact O-CG 3.4Å; Q310-E314 PolarHBondContact O-N 2.95Å |
| 311 | F | 95.8 | Very high | 93.2 | Very high | 10 Ų | 10 | 56.7 Ų | 56.7 | 4% | 0.044 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 174.1 | 166 | -96.7 | 0 | 0 | 0 | 112.2 | F257 W275 Q278 M279 L282 K307 K308 K309 D313 E314 V315 | F257-F311 HydrophobicContact CE2-CD1 4.15Å; F257-F311 HydrophobicContact CE2-CE1 4.5Å; F257-F311 HydrophobicContact CE2-CG 4.29Å; F257-F311 HydrophobicContact CZ-CB 3.8Å; F257-F311 HydrophobicContact CZ-CD1 4.09Å; F257-F311 HydrophobicContact CZ-CD2 4.41Å; F257-F311 AromaticContact CZ-CG 3.85Å; F257-F311 HydrophobicContact CZ-CG 3.85Å; W275-F311 HydrophobicContact CB-CE2 4.03Å; W275-F311 AromaticContact CD1-CE2 3.69Å; W275-F311 HydrophobicContact CD2-CD2 4.41Å; W275-F311 AromaticContact CD2-CE2 3.88Å; W275-F311 HydrophobicContact CD2-CE2 3.88Å; W275-F311 AromaticContact CE2-CE2 3.96Å; W275-F311 HydrophobicContact CG-CD2 4.45Å; W275-F311 AromaticContact CG-CE2 3.67Å; W275-F311 HydrophobicContact CG-CE2 3.67Å; W275-F311 HydrophobicContact CZ2-CD2 4.43Å; W275-F311 AromaticContact NE1-CD2 3.87Å; W275-F311 AromaticContact NE1-CE2 3.83Å; Q278-F311 HydrophobicContact CB-CD2 4.42Å; Q278-F311 HydrophobicContact CB-CE1 4.45Å; Q278-F311 HydrophobicContact CB-CE2 3.82Å; Q278-F311 HydrophobicContact CB-CZ 3.84Å; M279-F311 HydrophobicContact CB-CE1 4.38Å; M279-F311 HydrophobicContact CB-CZ 4.22Å; M279-F311 HydrophobicContact CE-CE1 3.88Å; M279-F311 HydrophobicContact CE-CZ 4.24Å; M279-F311 HydrophobicContact SD-CE1 4.26Å; L282-F311 HydrophobicContact CD1-CD1 3.59Å; L282-F311 HydrophobicContact CD1-CE1 3.84Å; K307-F311 PolarHBondContact O-N 3.07Å; K308-F311 PolarHBondContact O-N 2.94Å; K309-F311 VanDerWaalsContact C-N 3.27Å; K309-F311 PolarHBondContact O-N 2.96Å; F311-D313 VanDerWaalsContact C-N 3.35Å; F311-D313 PolarHBondContact O-N 3.4Å; F311-E314 PolarHBondContact O-N 2.82Å; F311-V315 HydrophobicContact CD2-CG2 4.45Å; F311-V315 HydrophobicContact CE1-CG2 4.36Å; F311-V315 HydrophobicContact CE2-CG2 4.07Å; F311-V315 HydrophobicContact CZ-CG2 4.02Å; F311-V315 WeakPolarHBondContact O-CG2 3.48Å; F311-V315 PolarHBondContact O-N 3.43Å |
| 312 | M | 95.8 | Very high | 91.4 | Very high | 7 Ų | 7 | 58.9 Ų | 58.9 | 3% | 0.034 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 176.4 | -66.6 | -62 | -70.3 | 0 | 0 | 112 | M279 L282 I292 K308 K309 V315 R316 L363 | M279-M312 HydrophobicContact CE-CE 4.43Å; M279-M312 HydrophobicContact CE-SD 3.84Å; M279-M312 HydrophobicContact SD-CE 4.49Å; M279-M312 HydrophobicContact SD-SD 3.94Å; L282-M312 HydrophobicContact CD1-CG 4.27Å; L282-M312 HydrophobicContact CD1-SD 4.13Å; I292-M312 HydrophobicContact CG2-CG 4.48Å; K308-M312 PolarHBondContact O-N 3.44Å; K309-M312 PolarHBondContact O-N 2.94Å; K309-M312 VanDerWaalsContact O-N 3.1Å; M312-V315 PolarHBondContact O-N 3.28Å; M312-R316 PolarHBondContact O-N 3.45Å; M312-L363 HydrophobicContact CE-CD1 4.07Å; M312-L363 HydrophobicContact CE-CD2 4.07Å |
| 313 | D | 94.2 | Very high | 89.4 | Confident | 50 Ų | 50 | 61 Ų | 61 | 27% | 0.267 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 174.9 | -71.9 | -33.6 | 0 | 0 | 0 | 112.3 | K309 Q310 F311 R316 K317 | K309-D313 WeakPolarHBondContact CG-OD2 3.49Å; K309-D313 IonicContact NZ-OD1 3.31Å; K309-D313 PolarHBondContact NZ-OD1 3.41Å; K309-D313 IonicContact NZ-OD2 2.69Å; K309-D313 PolarHBondContact NZ-OD2 3.16Å; K309-D313 PolarHBondContact O-N 3.37Å; Q310-D313 PolarHBondContact O-N 3.29Å; F311-D313 VanDerWaalsContact C-N 3.35Å; F311-D313 PolarHBondContact O-N 3.4Å; D313-R316 IonicContact OD1-CZ 3.35Å; D313-R316 VanDerWaalsContact OD1-CZ 3.24Å; D313-R316 IonicContact OD1-NH1 3.4Å; D313-R316 PolarHBondContact OD1-NH1 3.17Å; D313-R316 IonicContact OD1-NH2 3.26Å; D313-R316 PolarHBondContact OD1-NH2 3.3Å; D313-K317 WeakPolarHBondContact O-CB 3.34Å; D313-K317 PolarHBondContact O-N 2.92Å |
| 314 | E | 93.8 | Very high | 87 | Confident | 55 Ų | 55 | 64 Ų | 64 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.5 | -37.9 | 174.8 | -80.6 | -170.3 | -146.1 | 0 | 0 | 112.5 | K271 W275 Q310 F311 A318 | K271-E314 IonicContact NZ-OE2 2.96Å; K271-E314 PolarHBondContact NZ-OE2 3.02Å; W275-E314 HydrophobicContact CH2-CB 3.84Å; W275-E314 HydrophobicContact CZ2-CB 4.11Å; Q310-E314 HydrophobicContact CG-CG 4.42Å; Q310-E314 PolarHBondContact NE2-OE1 3.15Å; Q310-E314 WeakPolarHBondContact O-CB 3.43Å; Q310-E314 WeakPolarHBondContact O-CG 3.4Å; Q310-E314 PolarHBondContact O-N 2.95Å; F311-E314 PolarHBondContact O-N 2.82Å; E314-A318 VanDerWaalsContact O-CB 3.25Å; E314-A318 WeakPolarHBondContact O-CB 3.45Å; E314-A318 PolarHBondContact O-N 3.27Å |
| 315 | V | 95.3 | Very high | 84.6 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.018 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.6 | -53.7 | 174.8 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | W275 M279 F311 M312 K317 A318 L319 A337 A340 A341 | W275-V315 HydrophobicContact CE3-CG2 3.91Å; W275-V315 HydrophobicContact CH2-CG2 4.25Å; W275-V315 HydrophobicContact CZ3-CG2 3.76Å; M279-V315 HydrophobicContact CE-CG1 4.38Å; M279-V315 HydrophobicContact CE-CG2 4.5Å; F311-V315 HydrophobicContact CD2-CG2 4.45Å; F311-V315 HydrophobicContact CE1-CG2 4.36Å; F311-V315 HydrophobicContact CE2-CG2 4.07Å; F311-V315 HydrophobicContact CZ-CG2 4.02Å; F311-V315 WeakPolarHBondContact O-CG2 3.48Å; F311-V315 PolarHBondContact O-N 3.43Å; M312-V315 PolarHBondContact O-N 3.28Å; V315-K317 VanDerWaalsContact C-N 3.33Å; V315-K317 PolarHBondContact O-N 3.47Å; V315-A318 PolarHBondContact O-N 3.12Å; V315-A318 VanDerWaalsContact O-N 3.17Å; V315-L319 HydrophobicContact CG1-CD1 4.28Å; V315-L319 WeakPolarHBondContact O-CG 3.32Å; V315-L319 PolarHBondContact O-N 3.16Å; V315-L319 VanDerWaalsContact O-N 3.15Å; V315-A337 HydrophobicContact CG1-CB 4.32Å; V315-A340 HydrophobicContact CG2-CB 4.46Å; V315-A341 HydrophobicContact CG1-CB 4.21Å |
| 316 | R | 94.5 | Very high | 81.9 | Confident | 45 Ų | 45 | 65.1 Ų | 65.1 | 17% | 0.17 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -55.5 | -46.3 | 176.8 | -83.7 | -172.1 | -87.5 | 84 | 7 | 111.6 | E296 M312 D313 A318 L319 A320 V367 | E296-R316 IonicContact OE1-CZ 2.87Å; E296-R316 IonicContact OE1-NE 3.4Å; E296-R316 IonicContact OE1-NH2 3.56Å; E296-R316 PolarHBondContact OE1-NH2 3.22Å; E296-R316 IonicContact OE2-CZ 2.78Å; E296-R316 IonicContact OE2-NE 2.69Å; E296-R316 IonicContact OE2-NH1 2.81Å; E296-R316 IonicContact OE2-NH2 3.18Å; E296-R316 PolarHBondContact OE2-NH2 3.25Å; M312-R316 PolarHBondContact O-N 3.45Å; D313-R316 IonicContact OD1-CZ 3.35Å; D313-R316 VanDerWaalsContact OD1-CZ 3.24Å; D313-R316 IonicContact OD1-NH1 3.4Å; D313-R316 PolarHBondContact OD1-NH1 3.17Å; D313-R316 IonicContact OD1-NH2 3.26Å; D313-R316 PolarHBondContact OD1-NH2 3.3Å; R316-A318 VanDerWaalsContact C-N 3.34Å; R316-A318 PolarHBondContact O-N 2.92Å; R316-L319 PolarHBondContact O-N 2.97Å; R316-A320 WeakPolarHBondContact O-CB 3.28Å; R316-A320 PolarHBondContact O-N 2.8Å; R316-V367 HydrophobicContact CG-CG1 3.93Å |
| 317 | K | 92.9 | Very high | 79.2 | Confident | 169 Ų | 169 | 66.1 Ų | 66.1 | 74% | 0.735 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.2 | -32.1 | 179.5 | -176.2 | 174 | -178.4 | 174.5 | 0 | 113.8 | D313 V315 | D313-K317 WeakPolarHBondContact O-CB 3.34Å; D313-K317 PolarHBondContact O-N 2.92Å; V315-K317 VanDerWaalsContact C-N 3.33Å; V315-K317 PolarHBondContact O-N 3.47Å |
| 318 | A | 92.5 | Very high | 76.9 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 7% | 0.074 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -74.5 | -30.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E314 V315 R316 S321 L333 L334 A337 | E314-A318 VanDerWaalsContact O-CB 3.25Å; E314-A318 WeakPolarHBondContact O-CB 3.45Å; E314-A318 PolarHBondContact O-N 3.27Å; V315-A318 PolarHBondContact O-N 3.12Å; V315-A318 VanDerWaalsContact O-N 3.17Å; R316-A318 VanDerWaalsContact C-N 3.34Å; R316-A318 PolarHBondContact O-N 2.92Å; A318-S321 PolarHBondContact O-OG 3.44Å; A318-L333 HydrophobicContact CB-CD2 4.45Å; A318-L333 HydrophobicContact CB-CG 4.21Å; A318-L334 WeakPolarHBondContact O-CD1 3.3Å; A318-A337 HydrophobicContact CB-CB 3.62Å |
| 319 | L | 93.8 | Very high | 74.9 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -76.6 | -47.6 | 174.9 | -62.6 | 174.3 | 0 | 0 | 0 | 111.6 | V315 R316 S321 L334 A337 L338 A341 V367 D370 L371 L374 | V315-L319 HydrophobicContact CG1-CD1 4.28Å; V315-L319 WeakPolarHBondContact O-CG 3.32Å; V315-L319 PolarHBondContact O-N 3.16Å; V315-L319 VanDerWaalsContact O-N 3.15Å; R316-L319 PolarHBondContact O-N 2.97Å; L319-S321 PolarHBondContact O-N 3.43Å; L319-L334 HydrophobicContact CD2-CD1 4.34Å; L319-A337 HydrophobicContact CD2-CB 3.98Å; L319-A337 HydrophobicContact CG-CB 4.14Å; L319-L338 HydrophobicContact CD2-CD2 3.74Å; L319-L338 HydrophobicContact CD2-CG 4.08Å; L319-A341 HydrophobicContact CD1-CB 3.69Å; L319-V367 HydrophobicContact CD1-CB 3.96Å; L319-V367 HydrophobicContact CD1-CG1 3.86Å; L319-D370 HydrophobicContact CB-CB 4.11Å; L319-L371 HydrophobicContact CD1-CD2 4.16Å; L319-L371 HydrophobicContact CD1-CG 4.39Å; L319-L371 HydrophobicContact CD2-CD2 3.96Å; L319-L374 HydrophobicContact CB-CD1 4.12Å; L319-L374 HydrophobicContact CD2-CD1 3.69Å |
| 320 | A | 89.8 | Confident | 73.6 | Confident | 58 Ų | 58 | 72.1 Ų | 72.1 | 48% | 0.479 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -67.8 | -1.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | R316 H322 D370 | R316-A320 WeakPolarHBondContact O-CB 3.28Å; R316-A320 PolarHBondContact O-N 2.8Å; A320-H322 PolarHBondContact O-N 2.88Å; A320-D370 WeakPolarHBondContact CA-OD2 3.48Å |
| 321 | S | 77.4 | Confident | 73 | Confident | 63 Ų | 63 | 72 Ų | 72 | 44% | 0.441 | 45% | 0.451 | S | S | . | . | trans | -78.5 | 58 | -178 | 71.8 | 0 | 0 | 0 | 0 | 113.2 | A318 L319 | A318-S321 PolarHBondContact O-OG 3.44Å; L319-S321 PolarHBondContact O-N 3.43Å | ||
| 322 | H | 57.6 | Low | 72.6 | Confident | 82 Ų | 82 | 72.6 Ų | 72.6 | 38% | 0.38 | 46% | 0.457 | S | S | . | . | trans | -88.7 | 135.2 | 178.1 | -88.4 | -44.9 | 0 | 0 | 0 | 113.3 | A320 H324 N373 L374 | A320-H322 PolarHBondContact O-N 2.88Å; H322-H324 PolarHBondContact O-N 3.19Å; H322-H324 VanDerWaalsContact O-N 3.13Å; H322-N373 WeakPolarHBondContact NE2-CB 3.38Å; H322-L374 VanDerWaalsContact CE1-CD2 3.43Å; H322-L374 WeakPolarHBondContact CE1-CD2 3.32Å | ||
| 323 | G | 50.5 | Low | 72.3 | Confident | 82 Ų | 82 | 74.7 Ų | 74.7 | 85% | 0.845 | 47% | 0.468 | S | S | * | . | S | Bend | trans | 89.1 | -49.5 | 152.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | G325 | G323-G325 PolarHBondContact O-N 3.46Š|
| 324 | H | 41.6 | Very low | 72.2 | Confident | 183 Ų | 183 | 74 Ų | 74 | 85% | 0.847 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -91.3 | 94.3 | -165.7 | -80.9 | -73.2 | 0 | 0 | 0 | 115.5 | H322 S326 | H322-H324 PolarHBondContact O-N 3.19Å; H322-H324 VanDerWaalsContact O-N 3.13Å; H324-S326 PolarHBondContact O-N 3.03Å |
| 325 | G | 41.2 | Very low | 72.1 | Confident | 87 Ų | 87 | 72.7 Ų | 72.7 | 90% | 0.897 | 46% | 0.458 | S | S | * | . | S | Bend | trans | 62.6 | -15.9 | 145.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | G323 S327 | G323-G325 PolarHBondContact O-N 3.46Å; G325-S327 PolarHBondContact O-N 3.42Å |
| 326 | S | 38.2 | Very low | 72 | Confident | 92 Ų | 92 | 72.6 Ų | 72.6 | 64% | 0.643 | 46% | 0.458 | S | S | * | . | trans | -82.3 | 102.8 | -172.7 | -176.5 | 0 | 0 | 0 | 0 | 111.2 | H324 G328 | H324-S326 PolarHBondContact O-N 3.03Å; S326-G328 PolarHBondContact O-N 2.93Å | ||
| 327 | S | 38.8 | Very low | 72.1 | Confident | 136 Ų | 136 | 70.4 Ų | 70.4 | 95% | 0.951 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | 27.8 | 173.6 | -171.5 | 0 | 0 | 0 | 0 | 113.6 | G325 | G325-S327 PolarHBondContact O-N 3.42Š|
| 328 | G | 45.9 | Very low | 72.2 | Confident | 52 Ų | 52 | 62.4 Ų | 62.4 | 54% | 0.536 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130 | -5.7 | -164.1 | 0 | 0 | 0 | 0 | 0 | 117 | S326 K330 | S326-G328 PolarHBondContact O-N 2.93Å; G328-K330 PolarHBondContact O-N 3.32Å |
| 329 | S | 52.2 | Low | 72.3 | Confident | 69 Ų | 69 | 63.1 Ų | 63.1 | 48% | 0.483 | 42% | 0.417 | S | S | . | . | trans | -68.8 | 99.9 | 173.1 | 58.4 | 0 | 0 | 0 | 0 | 109.8 | P331 | S329-P331 WeakPolarHBondContact O-CD 3.45Å; S329-P331 VanDerWaalsContact O-N 3.16Å | ||
| 330 | K | 69.3 | Low | 72.5 | Confident | 153 Ų | 153 | 63 Ų | 63 | 67% | 0.665 | 42% | 0.417 | S | S | * | . | trans | -54.4 | 118.1 | -177.8 | -65.8 | 178.6 | -178.6 | 176 | 0 | 109.6 | G328 A332 L333 | G328-K330 PolarHBondContact O-N 3.32Å; K330-A332 VanDerWaalsContact C-N 3.27Å; K330-A332 PolarHBondContact O-N 3.34Å; K330-A332 VanDerWaalsContact O-N 3.13Å; K330-L333 HydrophobicContact CB-CB 4.42Å; K330-L333 WeakPolarHBondContact O-CB 3.26Å; K330-L333 PolarHBondContact O-N 3.09Å | ||
| 331 | P | 82.5 | Confident | 72.9 | Confident | 107 Ų | 107 | 60.3 Ų | 60.3 | 70% | 0.695 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -54.8 | -39.5 | -171.5 | -30.6 | 36.3 | 0 | 0 | 0 | 114.3 | S329 L333 L334 E335 | S329-P331 WeakPolarHBondContact O-CD 3.45Å; S329-P331 VanDerWaalsContact O-N 3.16Å; P331-L333 PolarHBondContact O-N 2.9Å; P331-L334 PolarHBondContact O-N 3.48Å; P331-L334 VanDerWaalsContact O-N 3.16Å; P331-E335 PolarHBondContact O-N 3.46Å |
| 332 | A | 87.1 | Confident | 73.9 | Confident | 22 Ų | 22 | 57.3 Ų | 57.3 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.3 | -25 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I272 K330 A336 | I272-A332 HydrophobicContact CD1-CB 3.76Å; I272-A332 HydrophobicContact CG1-CB 4.15Å; I272-A332 WeakPolarHBondContact CG1-O 3.3Å; K330-A332 VanDerWaalsContact C-N 3.27Å; K330-A332 PolarHBondContact O-N 3.34Å; K330-A332 VanDerWaalsContact O-N 3.13Å; A332-A336 VanDerWaalsContact O-CB 3.3Å; A332-A336 WeakPolarHBondContact O-CB 3.38Å; A332-A336 PolarHBondContact O-N 2.93Å; A332-A336 VanDerWaalsContact O-N 3.09Å |
| 333 | L | 90.2 | Very high | 75.8 | Confident | 50 Ų | 50 | 54 Ų | 54 | 26% | 0.262 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -77.9 | -41 | 176.2 | -171.6 | 70 | 0 | 0 | 0 | 111.2 | K271 W275 A318 K330 P331 A336 A337 | K271-L333 HydrophobicContact CD-CD1 3.63Å; W275-L333 HydrophobicContact CH2-CD1 3.46Å; W275-L333 VanDerWaalsContact CH2-CD1 3.46Å; W275-L333 HydrophobicContact CH2-CG 4.37Å; W275-L333 HydrophobicContact CZ2-CD1 4Å; W275-L333 HydrophobicContact CZ3-CD1 3.9Å; A318-L333 HydrophobicContact CB-CD2 4.45Å; A318-L333 HydrophobicContact CB-CG 4.21Å; K330-L333 HydrophobicContact CB-CB 4.42Å; K330-L333 WeakPolarHBondContact O-CB 3.26Å; K330-L333 PolarHBondContact O-N 3.09Å; P331-L333 PolarHBondContact O-N 2.9Å; L333-A336 PolarHBondContact O-N 3.16Å; L333-A337 WeakPolarHBondContact O-CB 3.38Å; L333-A337 PolarHBondContact O-N 3.17Å |
| 334 | L | 91.5 | Very high | 78.1 | Confident | 36 Ų | 36 | 50.2 Ų | 50.2 | 19% | 0.188 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 173.4 | 174.6 | 62.2 | 0 | 0 | 0 | 110.6 | A318 L319 P331 A337 L338 L374 | A318-L334 WeakPolarHBondContact O-CD1 3.3Å; L319-L334 HydrophobicContact CD2-CD1 4.34Å; P331-L334 PolarHBondContact O-N 3.48Å; P331-L334 VanDerWaalsContact O-N 3.16Å; L334-A337 PolarHBondContact O-N 2.7Å; L334-L338 HydrophobicContact CD1-CD1 4.26Å; L334-L338 HydrophobicContact CD1-CG 4.18Å; L334-L338 HydrophobicContact CG-CD1 4.09Å; L334-L338 HydrophobicContact CG-CG 4.46Å; L334-L338 WeakPolarHBondContact O-CB 3.45Å; L334-L338 VanDerWaalsContact O-CG 3.27Å; L334-L338 WeakPolarHBondContact O-CG 3.46Å; L334-L338 PolarHBondContact O-N 3.45Å; L334-L374 HydrophobicContact CD1-CD1 4.02Å; L334-L374 HydrophobicContact CD1-CD2 4.14Å; L334-L374 HydrophobicContact CD2-CD2 4.4Å |
| 335 | E | 91.2 | Very high | 80.8 | Confident | 28 Ų | 28 | 41.5 Ų | 41.5 | 13% | 0.131 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.8 | -49.3 | 173.8 | -175.5 | -173.6 | 167 | 0 | 0 | 111.9 | I272 P331 A337 L338 L339 R384 | I272-E335 VanDerWaalsContact CD1-OE2 3.29Å; I272-E335 WeakPolarHBondContact CD1-OE2 3.22Å; I272-E335 HydrophobicContact CG1-CB 4.45Å; I272-E335 HydrophobicContact CG1-CG 4.38Å; I272-E335 HydrophobicContact CG2-CG 4.25Å; I272-E335 WeakPolarHBondContact CG2-OE1 3.3Å; P331-E335 PolarHBondContact O-N 3.46Å; E335-A337 VanDerWaalsContact C-N 3.31Å; E335-A337 PolarHBondContact O-N 2.8Å; E335-L338 PolarHBondContact O-N 3.31Å; E335-L339 HydrophobicContact CG-CD1 4.17Å; E335-L339 WeakPolarHBondContact O-CG 3.19Å; E335-L339 PolarHBondContact O-N 2.93Å; E335-R384 HydrophobicContact CG-CG 4.07Å; E335-R384 IonicContact OE1-CZ 2.75Å; E335-R384 VanDerWaalsContact OE1-CZ 3.28Å; E335-R384 IonicContact OE1-NE 3.92Å; E335-R384 PolarHBondContact OE1-NE 3.45Å; E335-R384 IonicContact OE1-NH2 3.24Å; E335-R384 PolarHBondContact OE1-NH2 3.45Å |
| 336 | A | 93.5 | Very high | 83.4 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.5 | -40.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K271 I272 W275 A332 L333 A340 | K271-A336 HydrophobicContact CB-CB 3.91Å; I272-A336 HydrophobicContact CG1-CB 4.4Å; W275-A336 HydrophobicContact CB-CB 4.19Å; W275-A336 HydrophobicContact CD2-CB 3.9Å; W275-A336 HydrophobicContact CE3-CB 3.5Å; W275-A336 VanDerWaalsContact CE3-CB 3.5Å; W275-A336 HydrophobicContact CG-CB 4.17Å; W275-A336 HydrophobicContact CZ3-CB 4.26Å; A332-A336 VanDerWaalsContact O-CB 3.3Å; A332-A336 WeakPolarHBondContact O-CB 3.38Å; A332-A336 PolarHBondContact O-N 2.93Å; A332-A336 VanDerWaalsContact O-N 3.09Å; L333-A336 PolarHBondContact O-N 3.16Å; A336-A340 WeakPolarHBondContact O-CB 3.4Å; A336-A340 PolarHBondContact O-N 3.44Å; A336-A340 VanDerWaalsContact O-N 3.08Å |
| 337 | A | 95.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.4 | -41.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | W275 V315 A318 L319 L333 L334 E335 A341 | W275-A337 HydrophobicContact CE3-CB 4.49Å; W275-A337 HydrophobicContact CZ3-CB 4.04Å; V315-A337 HydrophobicContact CG1-CB 4.32Å; A318-A337 HydrophobicContact CB-CB 3.62Å; L319-A337 HydrophobicContact CD2-CB 3.98Å; L319-A337 HydrophobicContact CG-CB 4.14Å; L333-A337 WeakPolarHBondContact O-CB 3.38Å; L333-A337 PolarHBondContact O-N 3.17Å; L334-A337 PolarHBondContact O-N 2.7Å; E335-A337 VanDerWaalsContact C-N 3.31Å; E335-A337 PolarHBondContact O-N 2.8Å; A337-A341 VanDerWaalsContact O-CB 3.25Å; A337-A341 WeakPolarHBondContact O-CB 3.44Å; A337-A341 PolarHBondContact O-N 3.05Å |
| 338 | L | 95.8 | Very high | 89 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61 | -48.6 | 176.5 | -75.1 | 170 | 0 | 0 | 0 | 111.3 | L319 L334 E335 A341 V342 L371 L374 L375 Y382 L395 | L319-L338 HydrophobicContact CD2-CD2 3.74Å; L319-L338 HydrophobicContact CD2-CG 4.08Å; L334-L338 HydrophobicContact CD1-CD1 4.26Å; L334-L338 HydrophobicContact CD1-CG 4.18Å; L334-L338 HydrophobicContact CG-CD1 4.09Å; L334-L338 HydrophobicContact CG-CG 4.46Å; L334-L338 WeakPolarHBondContact O-CB 3.45Å; L334-L338 VanDerWaalsContact O-CG 3.27Å; L334-L338 WeakPolarHBondContact O-CG 3.46Å; L334-L338 PolarHBondContact O-N 3.45Å; E335-L338 PolarHBondContact O-N 3.31Å; L338-A341 PolarHBondContact O-N 2.9Å; L338-V342 WeakPolarHBondContact O-CB 3.46Å; L338-V342 VanDerWaalsContact O-CG2 3.27Å; L338-V342 WeakPolarHBondContact O-CG2 3.39Å; L338-V342 PolarHBondContact O-N 2.62Å; L338-L371 HydrophobicContact CD2-CD2 3.64Å; L338-L374 HydrophobicContact CD2-CB 4.24Å; L338-L374 HydrophobicContact CD2-CD1 3.94Å; L338-L375 HydrophobicContact CD1-CD2 4.2Å; L338-L375 HydrophobicContact CD2-CD1 4.43Å; L338-L375 HydrophobicContact CD2-CD2 3.89Å; L338-L375 HydrophobicContact CD2-CG 4.05Å; L338-Y382 HydrophobicContact CD1-CD2 4.03Å; L338-Y382 HydrophobicContact CD1-CE1 4.08Å; L338-Y382 HydrophobicContact CD1-CE2 3.39Å; L338-Y382 VanDerWaalsContact CD1-CZ 3.42Å; L338-L395 HydrophobicContact CB-CD2 4.41Å |
| 339 | L | 95.8 | Very high | 91.4 | Very high | 24 Ų | 24 | 25.4 Ų | 25.4 | 13% | 0.126 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.5 | -48.4 | 178.7 | -64.6 | 163.2 | 0 | 0 | 0 | 111.4 | I272 P276 E335 A341 V342 N343 L395 | I272-L339 HydrophobicContact CG2-CD1 3.76Å; P276-L339 HydrophobicContact CG-CB 3.8Å; P276-L339 HydrophobicContact CG-CD1 4.38Å; E335-L339 HydrophobicContact CG-CD1 4.17Å; E335-L339 WeakPolarHBondContact O-CG 3.19Å; E335-L339 PolarHBondContact O-N 2.93Å; L339-A341 PolarHBondContact O-N 3.05Å; L339-V342 PolarHBondContact O-N 2.86Å; L339-N343 WeakPolarHBondContact O-CB 3.39Å; L339-N343 PolarHBondContact O-N 2.92Å; L339-L395 HydrophobicContact CD2-CD1 4.12Å; L339-L395 HydrophobicContact CD2-CD2 4.28Å |
| 340 | A | 97.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.6 | -46.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | W275 M279 V315 A336 N343 L344 | W275-A340 HydrophobicContact CB-CB 4.24Å; M279-A340 HydrophobicContact CB-CB 4.11Å; M279-A340 HydrophobicContact CE-CB 4.19Å; M279-A340 WeakPolarHBondContact CG-O 3.31Å; V315-A340 HydrophobicContact CG2-CB 4.46Å; A336-A340 WeakPolarHBondContact O-CB 3.4Å; A336-A340 PolarHBondContact O-N 3.44Å; A336-A340 VanDerWaalsContact O-N 3.08Å; A340-N343 WeakPolarHBondContact O-CB 3.38Å; A340-N343 PolarHBondContact O-N 3.17Å; A340-L344 PolarHBondContact O-N 3.12Å |
| 341 | A | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -74.6 | -30.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.2 | V315 L319 A337 L338 L339 L344 C345 V367 L371 | V315-A341 HydrophobicContact CG1-CB 4.21Å; L319-A341 HydrophobicContact CD1-CB 3.69Å; A337-A341 VanDerWaalsContact O-CB 3.25Å; A337-A341 WeakPolarHBondContact O-CB 3.44Å; A337-A341 PolarHBondContact O-N 3.05Å; L338-A341 PolarHBondContact O-N 2.9Å; L339-A341 PolarHBondContact O-N 3.05Å; A341-L344 PolarHBondContact O-N 2.87Å; A341-C345 PolarHBondContact O-N 2.71Å; A341-C345 PolarHBondContact O-SG 3.42Å; A341-C345 VanDerWaalsContact O-SG 3.36Å; A341-V367 HydrophobicContact CB-CB 4.48Å; A341-V367 HydrophobicContact CB-CG2 4.34Å; A341-L371 HydrophobicContact CB-CD1 3.97Å; A341-L371 HydrophobicContact CB-CD2 4.09Å; A341-L371 HydrophobicContact CB-CG 4.41Å |
| 342 | V | 98 | Very high | 95.2 | Very high | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.006 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -68.9 | -36 | 169.9 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | L338 L339 C345 K346 L371 L375 L395 E398 F399 | L338-V342 WeakPolarHBondContact O-CB 3.46Å; L338-V342 VanDerWaalsContact O-CG2 3.27Å; L338-V342 WeakPolarHBondContact O-CG2 3.39Å; L338-V342 PolarHBondContact O-N 2.62Å; L339-V342 PolarHBondContact O-N 2.86Å; V342-C345 PolarHBondContact O-N 2.93Å; V342-K346 WeakPolarHBondContact O-CB 3.38Å; V342-K346 PolarHBondContact O-N 3.02Å; V342-L371 HydrophobicContact CG2-CD1 4.46Å; V342-L371 HydrophobicContact CG2-CD2 4.27Å; V342-L375 HydrophobicContact CG2-CD1 4.1Å; V342-L395 HydrophobicContact CB-CD1 3.85Å; V342-L395 HydrophobicContact CG1-CD1 3.99Å; V342-L395 HydrophobicContact CG2-CD1 3.76Å; V342-E398 HydrophobicContact CG1-CB 3.94Å; V342-F399 HydrophobicContact CG1-CB 4.22Å; V342-F399 HydrophobicContact CG2-CB 3.98Å; V342-F399 HydrophobicContact CG2-CD2 4Å; V342-F399 HydrophobicContact CG2-CG 4.34Å |
| 343 | N | 98 | Very high | 95.2 | Very high | 12 Ų | 12 | 12.4 Ų | 12.4 | 6% | 0.064 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -60 | -45.8 | 170.4 | -86.4 | 4.2 | 0 | 0 | 0 | 111.9 | E224 W228 M280 L339 A340 C345 K346 A347 | E224-N343 PolarHBondContact OE1-ND2 3.06Å; W228-N343 HydrophobicContact CZ2-CB 3.92Å; M280-N343 HydrophobicContact SD-CB 4Å; L339-N343 WeakPolarHBondContact O-CB 3.39Å; L339-N343 PolarHBondContact O-N 2.92Å; A340-N343 WeakPolarHBondContact O-CB 3.38Å; A340-N343 PolarHBondContact O-N 3.17Å; N343-C345 PolarHBondContact O-N 2.97Å; N343-K346 PolarHBondContact O-N 3.17Å; N343-A347 VanDerWaalsContact O-CB 3.32Å; N343-A347 WeakPolarHBondContact O-CB 3.4Å; N343-A347 PolarHBondContact O-N 3.05Å |
| 344 | L | 98 | Very high | 95.1 | Very high | 3 Ų | 3 | 16 Ų | 16 | 2% | 0.016 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -57.1 | -47.1 | 173.7 | 176.8 | 63.1 | 0 | 0 | 0 | 111.8 | M279 V283 A340 A341 A347 S348 L360 L363 V364 | M279-L344 HydrophobicContact CE-CB 4.44Å; M279-L344 HydrophobicContact CE-CD2 4.35Å; M279-L344 HydrophobicContact CG-CB 3.95Å; M279-L344 HydrophobicContact SD-CB 4.05Å; M279-L344 HydrophobicContact SD-CD1 4.3Å; M279-L344 HydrophobicContact SD-CD2 4.22Å; M279-L344 HydrophobicContact SD-CG 4.41Å; V283-L344 HydrophobicContact CG2-CD1 3.95Å; A340-L344 PolarHBondContact O-N 3.12Å; A341-L344 PolarHBondContact O-N 2.87Å; L344-A347 PolarHBondContact O-N 2.75Å; L344-S348 PolarHBondContact O-N 2.82Å; L344-L360 HydrophobicContact CD1-CD2 4.02Å; L344-L363 HydrophobicContact CD2-CB 4.14Å; L344-V364 HydrophobicContact CD2-CG2 4.47Å; L344-V364 HydrophobicContact CG-CG2 3.9Å |
| 345 | C | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.4 | -47.7 | 174.7 | -69.1 | 0 | 0 | 0 | 0 | 112.3 | A341 V342 N343 A347 S348 A402 I406 | A341-C345 PolarHBondContact O-N 2.71Å; A341-C345 PolarHBondContact O-SG 3.42Å; A341-C345 VanDerWaalsContact O-SG 3.36Å; V342-C345 PolarHBondContact O-N 2.93Å; N343-C345 PolarHBondContact O-N 2.97Å; C345-A347 PolarHBondContact O-N 3.26Å; C345-S348 PolarHBondContact O-N 2.92Å; C345-S348 PolarHBondContact O-OG 3.41Å; C345-A402 HydrophobicContact CB-CB 4.14Å; C345-I406 HydrophobicContact CB-CD1 4.27Å |
| 346 | K | 97.5 | Very high | 94.7 | Very high | 22 Ų | 22 | 23.8 Ų | 23.8 | 10% | 0.096 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.4 | -44.4 | 178.4 | -177.9 | -174.6 | 167.3 | -162.4 | 0 | 110.8 | W228 E232 V342 N343 S348 T349 Y350 E398 | W228-K346 HydrophobicContact CD2-CD 4.48Å; W228-K346 HydrophobicContact CE3-CD 4.06Å; W228-K346 VanDerWaalsContact CE3-NZ 3.3Å; W228-K346 HydrophobicContact CH2-CB 3.65Å; W228-K346 HydrophobicContact CH2-CD 3.42Å; W228-K346 VanDerWaalsContact CH2-CD 3.42Å; W228-K346 HydrophobicContact CH2-CG 3.48Å; W228-K346 VanDerWaalsContact CH2-CG 3.48Å; W228-K346 HydrophobicContact CZ2-CB 4.31Å; W228-K346 HydrophobicContact CZ2-CD 3.83Å; W228-K346 HydrophobicContact CZ2-CG 4.3Å; W228-K346 HydrophobicContact CZ3-CB 4.31Å; W228-K346 HydrophobicContact CZ3-CD 3.5Å; W228-K346 HydrophobicContact CZ3-CG 3.64Å; E232-K346 WeakPolarHBondContact OE1-CE 3.25Å; E232-K346 IonicContact OE1-NZ 3.72Å; E232-K346 PolarHBondContact OE1-NZ 2.83Å; V342-K346 WeakPolarHBondContact O-CB 3.38Å; V342-K346 PolarHBondContact O-N 3.02Å; N343-K346 PolarHBondContact O-N 3.17Å; K346-S348 PolarHBondContact O-N 3.45Å; K346-T349 WeakPolarHBondContact O-CB 3.42Å; K346-T349 PolarHBondContact O-N 3.39Å; K346-T349 PolarHBondContact O-OG1 3.26Å; K346-Y350 HydrophobicContact CG-CE2 4.41Å; K346-Y350 WeakPolarHBondContact O-CD2 3.42Å; K346-E398 IonicContact NZ-OE1 3.5Å |
| 347 | A | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.6 | -41.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | W228 M280 V283 N343 L344 C345 T349 Y350 | W228-A347 HydrophobicContact CH2-CB 4.08Å; M280-A347 HydrophobicContact CE-CB 4.37Å; M280-A347 HydrophobicContact SD-CB 4.42Å; V283-A347 HydrophobicContact CG1-CB 3.96Å; N343-A347 VanDerWaalsContact O-CB 3.32Å; N343-A347 WeakPolarHBondContact O-CB 3.4Å; N343-A347 PolarHBondContact O-N 3.05Å; L344-A347 PolarHBondContact O-N 2.75Å; C345-A347 PolarHBondContact O-N 3.26Å; A347-T349 PolarHBondContact O-N 3.01Å; A347-Y350 WeakPolarHBondContact O-CB 3.27Å; A347-Y350 PolarHBondContact O-N 2.86Å |
| 348 | S | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.1 | -24.8 | 176.1 | 75.3 | 0 | 0 | 0 | 0 | 113.8 | L344 C345 K346 Y350 I351 | L344-S348 PolarHBondContact O-N 2.82Å; C345-S348 PolarHBondContact O-N 2.92Å; C345-S348 PolarHBondContact O-OG 3.41Å; K346-S348 PolarHBondContact O-N 3.45Å; S348-Y350 PolarHBondContact O-N 2.85Å; S348-I351 PolarHBondContact O-N 3.21Å |
| 349 | T | 96.3 | Very high | 94.4 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -19.9 | 176.8 | 73.1 | 0 | 0 | 0 | 0 | 113.6 | K346 A347 I351 A402 R405 I406 W445 W446 | K346-T349 WeakPolarHBondContact O-CB 3.42Å; K346-T349 PolarHBondContact O-N 3.39Å; K346-T349 PolarHBondContact O-OG1 3.26Å; A347-T349 PolarHBondContact O-N 3.01Å; T349-I351 VanDerWaalsContact C-N 3.28Å; T349-A402 HydrophobicContact CG2-CB 4.29Å; T349-R405 HydrophobicContact CG2-CB 3.62Å; T349-R405 HydrophobicContact CG2-CG 4.48Å; T349-I406 HydrophobicContact CG2-CG1 4.05Å; T349-W445 PolarHBondContact O-NE1 3.3Å; T349-W445 VanDerWaalsContact O-NE1 3.09Å; T349-W446 PolarHBondContact O-NE1 3.3Å |
| 350 | Y | 96.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -0.8 | 177.6 | -68.1 | -92.7 | 0 | 0 | 0 | 113.1 | W228 L231 E232 P235 K346 A347 S348 L443 W445 W446 | W228-Y350 HydrophobicContact CZ3-CE2 4.18Å; L231-Y350 HydrophobicContact CD2-CD1 4.19Å; L231-Y350 HydrophobicContact CD2-CD2 3.39Å; L231-Y350 HydrophobicContact CD2-CE2 3.76Å; L231-Y350 HydrophobicContact CD2-CG 3.64Å; L231-Y350 HydrophobicContact CG-CD1 4.25Å; L231-Y350 HydrophobicContact CG-CD2 4.27Å; L231-Y350 HydrophobicContact CG-CG 4.02Å; E232-Y350 HydrophobicContact CG-CE1 4.3Å; E232-Y350 WeakPolarHBondContact CG-OH 3.35Å; E232-Y350 PolarHBondContact OE1-OH 3.46Å; P235-Y350 HydrophobicContact CB-CD1 4.02Å; K346-Y350 HydrophobicContact CG-CE2 4.41Å; K346-Y350 WeakPolarHBondContact O-CD2 3.42Å; A347-Y350 WeakPolarHBondContact O-CB 3.27Å; A347-Y350 PolarHBondContact O-N 2.86Å; S348-Y350 PolarHBondContact O-N 2.85Å; Y350-L443 HydrophobicContact CD1-CD1 3.75Å; Y350-L443 HydrophobicContact CE1-CD1 4.2Å; Y350-L443 HydrophobicContact CG-CD1 4.46Å; Y350-W445 WeakPolarHBondContact O-CZ2 3.43Å; Y350-W446 HydrophobicContact CD1-CZ2 4.11Å; Y350-W446 AromaticContact CE1-CH2 3.88Å; Y350-W446 HydrophobicContact CE1-CH2 3.88Å; Y350-W446 AromaticContact CE1-CZ2 3.68Å; Y350-W446 HydrophobicContact CE1-CZ2 3.68Å; Y350-W446 HydrophobicContact CE2-CZ2 4.23Å; Y350-W446 AromaticContact CZ-CH2 3.9Å; Y350-W446 AromaticContact CZ-CZ2 3.74Å |
| 351 | I | 94.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -95.4 | 144.8 | 166.5 | -53.5 | -174.7 | 0 | 0 | 0 | 108.7 | F238 Q242 S348 T349 I353 D355 N358 L360 F361 W445 | F238-I351 HydrophobicContact CD1-CG1 4.37Å; F238-I351 HydrophobicContact CE1-CD1 4.28Å; F238-I351 HydrophobicContact CE1-CG1 3.72Å; F238-I351 HydrophobicContact CZ-CG1 4.49Å; Q242-I351 HydrophobicContact CB-CD1 4.14Å; Q242-I351 HydrophobicContact CG-CD1 3.61Å; Q242-I351 HydrophobicContact CG-CG1 4.06Å; S348-I351 PolarHBondContact O-N 3.21Å; T349-I351 VanDerWaalsContact C-N 3.28Å; I351-I353 PolarHBondContact O-N 3.32Å; I351-D355 HydrophobicContact CG2-CB 4.29Å; I351-N358 HydrophobicContact CD1-CB 4.41Å; I351-N358 VanDerWaalsContact CD1-CG 3.46Å; I351-N358 WeakPolarHBondContact CD1-OD1 3.23Å; I351-N358 HydrophobicContact CG2-CB 4.42Å; I351-L360 HydrophobicContact CD1-CB 4.19Å; I351-L360 HydrophobicContact CD1-CD1 3.67Å; I351-L360 HydrophobicContact CD1-CG 3.97Å; I351-F361 HydrophobicContact CB-CE2 4.09Å; I351-F361 HydrophobicContact CB-CZ 4.09Å; I351-F361 HydrophobicContact CG2-CE2 3.87Å; I351-F361 HydrophobicContact CG2-CZ 4.33Å; I351-W445 PolarHBondContact O-NE1 3Å |
| 352 | N | 91.4 | Very high | 94 | Very high | 37 Ų | 37 | 36.3 Ų | 36.3 | 20% | 0.198 | 18% | 0.178 | C | C | . | . | trans | -61.1 | 131.7 | 176.7 | -165.8 | -43.1 | 0 | 0 | 0 | 112.3 | D239 N354 D355 W445 | D239-N352 PolarHBondContact OD1-N 3.07Å; D239-N352 VanDerWaalsContact OD1-N 3.14Å; N352-N354 PolarHBondContact O-N 3.45Å; N352-N354 PolarHBondContact OD1-N 2.97Å; N352-N354 VanDerWaalsContact OD1-N 3.11Å; N352-D355 WeakPolarHBondContact CB-OD2 3.36Å; N352-D355 PolarHBondContact O-N 3.33Å; N352-W445 HydrophobicContact CB-CD2 4.29Å; N352-W445 HydrophobicContact CB-CE3 4.47Å | ||
| 353 | I | 87.6 | Confident | 93.9 | Very high | 36 Ų | 36 | 36.4 Ų | 36.4 | 19% | 0.185 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -6.9 | -177.6 | -160.3 | 166.2 | 0 | 0 | 0 | 114.6 | I351 R356 W445 | I351-I353 PolarHBondContact O-N 3.32Å; I353-R356 WeakPolarHBondContact O-CG 3.46Å; I353-R356 PolarHBondContact O-NE 3.05Å; I353-W445 HydrophobicContact CG2-CB 4.05Å |
| 354 | N | 87.2 | Confident | 93.8 | Very high | 126 Ų | 126 | 36 Ų | 36 | 67% | 0.674 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -31.2 | 170.2 | -65.3 | -21.7 | 0 | 0 | 0 | 111.9 | N352 R356 | N352-N354 PolarHBondContact O-N 3.45Å; N352-N354 PolarHBondContact OD1-N 2.97Å; N352-N354 VanDerWaalsContact OD1-N 3.11Å; N354-R356 PolarHBondContact O-N 3.37Å |
| 355 | D | 90 | Very high | 93.5 | Very high | 60 Ų | 60 | 43.2 Ų | 43.2 | 32% | 0.321 | 21% | 0.209 | S | C | . | . | trans | -83.6 | 45.9 | -176.4 | -61.5 | -50.8 | 0 | 0 | 0 | 111.8 | K243 I351 N352 N357 N358 | K243-D355 WeakPolarHBondContact CE-OD2 3.44Å; K243-D355 IonicContact NZ-OD2 2.74Å; K243-D355 PolarHBondContact NZ-OD2 3.46Å; I351-D355 HydrophobicContact CG2-CB 4.29Å; N352-D355 WeakPolarHBondContact CB-OD2 3.36Å; N352-D355 PolarHBondContact O-N 3.33Å; D355-N357 PolarHBondContact O-N 3.03Å; D355-N358 VanDerWaalsContact O-CB 3.29Å; D355-N358 WeakPolarHBondContact O-CB 3.28Å; D355-N358 PolarHBondContact O-N 3.29Å | ||
| 356 | R | 84.8 | Confident | 93.2 | Very high | 167 Ų | 167 | 46 Ų | 46 | 63% | 0.63 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -18 | -170.9 | -61 | -171.3 | -178.8 | -179.9 | 0.9 | 115.2 | I353 N354 N358 | I353-R356 WeakPolarHBondContact O-CG 3.46Å; I353-R356 PolarHBondContact O-NE 3.05Å; N354-R356 PolarHBondContact O-N 3.37Å; R356-N358 VanDerWaalsContact C-N 3.26Å |
| 357 | N | 89.7 | Confident | 93.1 | Very high | 154 Ų | 154 | 45.1 Ų | 45.1 | 82% | 0.824 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -9.5 | 176.5 | -63.1 | -5.1 | 0 | 0 | 0 | 112.2 | D355 I359 | D355-N357 PolarHBondContact O-N 3.03Å; N357-I359 PolarHBondContact O-N 3.04Å |
| 358 | N | 94.1 | Very high | 92.7 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 11% | 0.107 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -59.8 | 138 | 173.2 | 172.8 | -80.6 | 0 | 0 | 0 | 110.6 | Q242 I351 D355 R356 L360 F361 | Q242-N358 PolarHBondContact OE1-ND2 3.1Å; I351-N358 HydrophobicContact CD1-CB 4.41Å; I351-N358 VanDerWaalsContact CD1-CG 3.46Å; I351-N358 WeakPolarHBondContact CD1-OD1 3.23Å; I351-N358 HydrophobicContact CG2-CB 4.42Å; D355-N358 VanDerWaalsContact O-CB 3.29Å; D355-N358 WeakPolarHBondContact O-CB 3.28Å; D355-N358 PolarHBondContact O-N 3.29Å; R356-N358 VanDerWaalsContact C-N 3.26Å; N358-L360 PolarHBondContact O-N 3.06Å; N358-L360 VanDerWaalsContact O-N 3.1Å; N358-L360 WeakPolarHBondContact OD1-CB 3.18Å; N358-L360 WeakPolarHBondContact OD1-CG 3.42Å; N358-L360 PolarHBondContact OD1-N 2.85Å; N358-F361 HydrophobicContact CB-CD2 4.24Å; N358-F361 PolarHBondContact O-N 2.86Å |
| 359 | I | 94.4 | Very high | 92.4 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54 | -32.3 | -173.8 | -174.7 | 58.2 | 0 | 0 | 0 | 114.5 | P286 L289 E290 N293 N357 F361 I362 L363 | P286-I359 HydrophobicContact CB-CG2 4.37Å; L289-I359 HydrophobicContact CB-CG1 3.81Å; L289-I359 HydrophobicContact CB-CG2 4.14Å; E290-I359 HydrophobicContact CG-CB 3.83Å; E290-I359 HydrophobicContact CG-CG1 4.1Å; E290-I359 HydrophobicContact CG-CG2 4.09Å; N293-I359 HydrophobicContact CB-CD1 3.52Å; N357-I359 PolarHBondContact O-N 3.04Å; I359-F361 VanDerWaalsContact C-N 3.32Å; I359-F361 PolarHBondContact O-N 3.18Å; I359-I362 HydrophobicContact CD1-CB 4.45Å; I359-I362 PolarHBondContact O-N 2.99Å; I359-L363 HydrophobicContact CD1-CD1 4.29Å; I359-L363 HydrophobicContact CD1-CG 4.06Å; I359-L363 HydrophobicContact CG1-CD1 3.86Å; I359-L363 HydrophobicContact CG1-CG 4.12Å; I359-L363 WeakPolarHBondContact O-CG 3.27Å; I359-L363 PolarHBondContact O-N 3.42Å |
| 360 | L | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65 | -34.6 | 179.8 | -57.2 | -165.1 | 0 | 0 | 0 | 112.2 | F238 V283 L289 L344 I351 N358 V364 | F238-L360 HydrophobicContact CZ-CD1 3.98Å; V283-L360 HydrophobicContact CG1-CD1 4.01Å; V283-L360 HydrophobicContact CG2-CD1 4.48Å; V283-L360 HydrophobicContact CG2-CD2 4.2Å; L289-L360 HydrophobicContact CD1-CD2 3.52Å; L344-L360 HydrophobicContact CD1-CD2 4.02Å; I351-L360 HydrophobicContact CD1-CB 4.19Å; I351-L360 HydrophobicContact CD1-CD1 3.67Å; I351-L360 HydrophobicContact CD1-CG 3.97Å; N358-L360 PolarHBondContact O-N 3.06Å; N358-L360 VanDerWaalsContact O-N 3.1Å; N358-L360 WeakPolarHBondContact OD1-CB 3.18Å; N358-L360 WeakPolarHBondContact OD1-CG 3.42Å; N358-L360 PolarHBondContact OD1-N 2.85Å; L360-V364 VanDerWaalsContact O-CB 3.24Å; L360-V364 WeakPolarHBondContact O-CB 3.31Å; L360-V364 WeakPolarHBondContact O-CG2 3.15Å; L360-V364 PolarHBondContact O-N 2.89Å |
| 361 | F | 94.9 | Very high | 92.2 | Very high | 31 Ų | 31 | 50.4 Ų | 50.4 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.9 | -37 | 176.5 | -67.4 | -60.9 | 0 | 0 | 0 | 112.1 | I351 N358 I359 H365 | I351-F361 HydrophobicContact CB-CE2 4.09Å; I351-F361 HydrophobicContact CB-CZ 4.09Å; I351-F361 HydrophobicContact CG2-CE2 3.87Å; I351-F361 HydrophobicContact CG2-CZ 4.33Å; N358-F361 HydrophobicContact CB-CD2 4.24Å; N358-F361 PolarHBondContact O-N 2.86Å; I359-F361 VanDerWaalsContact C-N 3.32Å; I359-F361 PolarHBondContact O-N 3.18Å; F361-H365 PolarHBondContact O-N 3.21Å |
| 362 | I | 93.3 | Very high | 92.1 | Very high | 77 Ų | 77 | 52.4 Ų | 52.4 | 40% | 0.395 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.3 | -50.8 | 175.5 | -55.2 | 176.3 | 0 | 0 | 0 | 109.8 | I359 V364 H365 S366 | I359-I362 HydrophobicContact CD1-CB 4.45Å; I359-I362 PolarHBondContact O-N 2.99Å; I362-V364 PolarHBondContact O-N 3.39Å; I362-H365 WeakPolarHBondContact O-CB 3.33Å; I362-H365 PolarHBondContact O-N 3.44Å; I362-H365 VanDerWaalsContact O-N 3.15Å; I362-S366 PolarHBondContact O-N 2.81Å |
| 363 | L | 95.1 | Very high | 92.1 | Very high | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64 | -39.7 | 179.1 | -67.6 | 174.6 | 0 | 0 | 0 | 112.3 | L289 M312 L344 I359 H365 S366 | L289-L363 HydrophobicContact CB-CD1 4.01Å; L289-L363 HydrophobicContact CD1-CD1 4Å; L289-L363 HydrophobicContact CD2-CD1 3.84Å; L289-L363 HydrophobicContact CG-CD1 4.18Å; M312-L363 HydrophobicContact CE-CD1 4.07Å; M312-L363 HydrophobicContact CE-CD2 4.07Å; L344-L363 HydrophobicContact CD2-CB 4.14Å; I359-L363 HydrophobicContact CD1-CD1 4.29Å; I359-L363 HydrophobicContact CD1-CG 4.06Å; I359-L363 HydrophobicContact CG1-CD1 3.86Å; I359-L363 HydrophobicContact CG1-CG 4.12Å; I359-L363 WeakPolarHBondContact O-CG 3.27Å; I359-L363 PolarHBondContact O-N 3.42Å; L363-H365 VanDerWaalsContact C-N 3.31Å; L363-H365 PolarHBondContact O-N 3.17Å; L363-S366 WeakPolarHBondContact O-CB 3.22Å; L363-S366 PolarHBondContact O-N 2.97Å; L363-S366 VanDerWaalsContact O-N 3.16Å; L363-S366 PolarHBondContact O-OG 3.29Å |
| 364 | V | 95.5 | Very high | 92.4 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 173.1 | 160.9 | 0 | 0 | 0 | 0 | 111.5 | L344 L360 I362 S366 V367 Y368 I406 | L344-V364 HydrophobicContact CD2-CG2 4.47Å; L344-V364 HydrophobicContact CG-CG2 3.9Å; L360-V364 VanDerWaalsContact O-CB 3.24Å; L360-V364 WeakPolarHBondContact O-CB 3.31Å; L360-V364 WeakPolarHBondContact O-CG2 3.15Å; L360-V364 PolarHBondContact O-N 2.89Å; I362-V364 PolarHBondContact O-N 3.39Å; V364-S366 PolarHBondContact O-N 2.96Å; V364-V367 WeakPolarHBondContact O-CG2 3.37Å; V364-V367 PolarHBondContact O-N 2.88Å; V364-V367 VanDerWaalsContact O-N 3.14Å; V364-Y368 WeakPolarHBondContact O-CB 3.3Å; V364-Y368 PolarHBondContact O-N 3.19Å; V364-I406 HydrophobicContact CG1-CD1 3.98Å |
| 365 | H | 91.6 | Very high | 92.7 | Very high | 155 Ų | 155 | 47.6 Ų | 47.6 | 72% | 0.718 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -59.7 | -32.2 | 178.1 | -159.6 | 71.7 | 0 | 0 | 0 | 112.3 | F361 I362 L363 V367 | F361-H365 PolarHBondContact O-N 3.21Å; I362-H365 WeakPolarHBondContact O-CB 3.33Å; I362-H365 PolarHBondContact O-N 3.44Å; I362-H365 VanDerWaalsContact O-N 3.15Å; L363-H365 VanDerWaalsContact C-N 3.31Å; L363-H365 PolarHBondContact O-N 3.17Å; H365-V367 VanDerWaalsContact C-N 3.33Å; H365-V367 PolarHBondContact O-N 3.12Å |
| 366 | S | 92.4 | Very high | 92.8 | Very high | 58 Ų | 58 | 45.1 Ų | 45.1 | 41% | 0.406 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.6 | -20.6 | 178.3 | 80.4 | 0 | 0 | 0 | 0 | 115.2 | I362 L363 V364 | I362-S366 PolarHBondContact O-N 2.81Å; L363-S366 WeakPolarHBondContact O-CB 3.22Å; L363-S366 PolarHBondContact O-N 2.97Å; L363-S366 VanDerWaalsContact O-N 3.16Å; L363-S366 PolarHBondContact O-OG 3.29Å; V364-S366 PolarHBondContact O-N 2.96Å |
| 367 | V | 94.5 | Very high | 93.1 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.03 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -116.2 | -20.6 | -177.6 | -65.7 | 0 | 0 | 0 | 0 | 114.2 | R316 L319 A341 V364 H365 A369 D370 L371 | R316-V367 HydrophobicContact CG-CG1 3.93Å; L319-V367 HydrophobicContact CD1-CB 3.96Å; L319-V367 HydrophobicContact CD1-CG1 3.86Å; A341-V367 HydrophobicContact CB-CB 4.48Å; A341-V367 HydrophobicContact CB-CG2 4.34Å; V364-V367 WeakPolarHBondContact O-CG2 3.37Å; V364-V367 PolarHBondContact O-N 2.88Å; V364-V367 VanDerWaalsContact O-N 3.14Å; H365-V367 VanDerWaalsContact C-N 3.33Å; H365-V367 PolarHBondContact O-N 3.12Å; V367-A369 VanDerWaalsContact C-N 3.33Å; V367-A369 PolarHBondContact O-N 2.89Å; V367-D370 PolarHBondContact O-N 3.22Å; V367-L371 HydrophobicContact CB-CD1 4.39Å; V367-L371 HydrophobicContact CG2-CD1 4.11Å; V367-L371 WeakPolarHBondContact O-CG 3.39Å; V367-L371 PolarHBondContact O-N 2.89Å |
| 368 | Y | 89.7 | Confident | 93 | Very high | 25 Ų | 25 | 35 Ų | 35 | 10% | 0.098 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.9 | -39.8 | -171.6 | 172.8 | -82 | 0 | 0 | 0 | 114.2 | V364 Q372 Y403 T407 N410 | V364-Y368 WeakPolarHBondContact O-CB 3.3Å; V364-Y368 PolarHBondContact O-N 3.19Å; Y368-Q372 PolarHBondContact O-N 2.81Å; Y368-Q372 VanDerWaalsContact O-N 3.09Å; Y368-Y403 HydrophobicContact CD2-CD2 4.33Å; Y368-Y403 HydrophobicContact CE1-CD2 4.31Å; Y368-Y403 AromaticContact CE1-CE2 3.83Å; Y368-Y403 HydrophobicContact CE1-CE2 3.83Å; Y368-Y403 AromaticContact CE2-CD2 3.51Å; Y368-Y403 HydrophobicContact CE2-CD2 3.51Å; Y368-Y403 AromaticContact CE2-CE2 3.87Å; Y368-Y403 HydrophobicContact CE2-CE2 3.87Å; Y368-Y403 AromaticContact CE2-CG 3.98Å; Y368-Y403 HydrophobicContact CE2-CG 3.98Å; Y368-Y403 AromaticContact CZ-CD2 3.5Å; Y368-Y403 VanDerWaalsContact CZ-CD2 3.5Å; Y368-Y403 AromaticContact CZ-CE2 3.32Å; Y368-Y403 AromaticContact CZ-CZ 3.8Å; Y368-Y403 WeakPolarHBondContact OH-CD2 3.43Å; Y368-Y403 WeakPolarHBondContact OH-CE1 3.25Å; Y368-Y403 WeakPolarHBondContact OH-CE2 3.43Å; Y368-T407 HydrophobicContact CE2-CG2 4.15Å; Y368-T407 PolarHBondContact OH-OG1 2.99Å; Y368-N410 PolarHBondContact OH-ND2 2.98Å |
| 369 | A | 90.9 | Very high | 92.8 | Very high | 53 Ų | 53 | 41.4 Ų | 41.4 | 44% | 0.438 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -69.5 | -45.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V367 Q372 N373 | V367-A369 VanDerWaalsContact C-N 3.33Å; V367-A369 PolarHBondContact O-N 2.89Å; A369-Q372 PolarHBondContact O-N 3.06Å; A369-N373 WeakPolarHBondContact O-CB 3.32Å; A369-N373 PolarHBondContact O-N 3.04Å; A369-N373 PolarHBondContact O-ND2 3.44Å |
| 370 | D | 94 | Very high | 92.5 | Very high | 42 Ų | 42 | 49.2 Ų | 49.2 | 23% | 0.225 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 177.3 | -70.3 | -23.8 | 0 | 0 | 0 | 111.2 | L319 A320 V367 Q372 N373 L374 | L319-D370 HydrophobicContact CB-CB 4.11Å; A320-D370 WeakPolarHBondContact CA-OD2 3.48Å; V367-D370 PolarHBondContact O-N 3.22Å; D370-Q372 VanDerWaalsContact C-N 3.34Å; D370-Q372 PolarHBondContact O-N 3.22Å; D370-N373 PolarHBondContact O-N 3.34Å; D370-N373 VanDerWaalsContact O-N 3.17Å; D370-L374 VanDerWaalsContact O-CB 3.31Å; D370-L374 WeakPolarHBondContact O-CB 3.46Å; D370-L374 WeakPolarHBondContact O-CD1 3.37Å; D370-L374 VanDerWaalsContact O-CG 3.29Å; D370-L374 WeakPolarHBondContact O-CG 3.29Å; D370-L374 PolarHBondContact O-N 3.36Å |
| 371 | L | 94.7 | Very high | 92 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.3 | -45.3 | 172.9 | -72.2 | 177.3 | 0 | 0 | 0 | 112.1 | L319 L338 A341 V342 V367 N373 L375 F399 | L319-L371 HydrophobicContact CD1-CD2 4.16Å; L319-L371 HydrophobicContact CD1-CG 4.39Å; L319-L371 HydrophobicContact CD2-CD2 3.96Å; L338-L371 HydrophobicContact CD2-CD2 3.64Å; A341-L371 HydrophobicContact CB-CD1 3.97Å; A341-L371 HydrophobicContact CB-CD2 4.09Å; A341-L371 HydrophobicContact CB-CG 4.41Å; V342-L371 HydrophobicContact CG2-CD1 4.46Å; V342-L371 HydrophobicContact CG2-CD2 4.27Å; V367-L371 HydrophobicContact CB-CD1 4.39Å; V367-L371 HydrophobicContact CG2-CD1 4.11Å; V367-L371 WeakPolarHBondContact O-CG 3.39Å; V367-L371 PolarHBondContact O-N 2.89Å; L371-N373 VanDerWaalsContact C-N 3.35Å; L371-N373 PolarHBondContact O-N 3.29Å; L371-L375 HydrophobicContact CD2-CD1 4.49Å; L371-L375 WeakPolarHBondContact O-CB 3.49Å; L371-L375 WeakPolarHBondContact O-CG 3.33Å; L371-L375 PolarHBondContact O-N 3.46Å; L371-F399 HydrophobicContact CB-CD2 4.17Å; L371-F399 HydrophobicContact CB-CE1 4.21Å; L371-F399 HydrophobicContact CB-CE2 3.48Å; L371-F399 VanDerWaalsContact CB-CE2 3.48Å; L371-F399 HydrophobicContact CB-CZ 3.48Å; L371-F399 VanDerWaalsContact CB-CZ 3.48Å; L371-F399 HydrophobicContact CD1-CD2 4Å; L371-F399 HydrophobicContact CD1-CE2 3.54Å; L371-F399 HydrophobicContact CD1-CZ 4.38Å; L371-F399 HydrophobicContact CG-CE2 4.14Å |
| 372 | Q | 93.1 | Very high | 91.7 | Very high | 44 Ų | 44 | 51.6 Ų | 51.6 | 21% | 0.206 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 175.8 | -169.2 | -160.1 | -98.7 | 0 | 0 | 111.7 | Y368 A369 D370 F376 F399 Y403 | Y368-Q372 PolarHBondContact O-N 2.81Å; Y368-Q372 VanDerWaalsContact O-N 3.09Å; A369-Q372 PolarHBondContact O-N 3.06Å; D370-Q372 VanDerWaalsContact C-N 3.34Å; D370-Q372 PolarHBondContact O-N 3.22Å; Q372-F376 PolarHBondContact O-N 3.45Å; Q372-F376 VanDerWaalsContact O-N 3.09Å; Q372-F399 HydrophobicContact CB-CE1 4.31Å; Q372-Y403 HydrophobicContact CB-CE2 4.31Å; Q372-Y403 HydrophobicContact CG-CE2 3.93Å; Q372-Y403 PolarHBondContact OE1-OH 3.15Å |
| 373 | N | 91.6 | Very high | 91.2 | Very high | 74 Ų | 74 | 51.7 Ų | 51.7 | 40% | 0.396 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -75.9 | -26.8 | -176.1 | -66.4 | -23.6 | 0 | 0 | 0 | 113.8 | H322 A369 D370 L371 | H322-N373 WeakPolarHBondContact NE2-CB 3.38Å; A369-N373 WeakPolarHBondContact O-CB 3.32Å; A369-N373 PolarHBondContact O-N 3.04Å; A369-N373 PolarHBondContact O-ND2 3.44Å; D370-N373 PolarHBondContact O-N 3.34Å; D370-N373 VanDerWaalsContact O-N 3.17Å; L371-N373 VanDerWaalsContact C-N 3.35Å; L371-N373 PolarHBondContact O-N 3.29Å |
| 374 | L | 92.3 | Very high | 90.4 | Very high | 24 Ų | 24 | 54.2 Ų | 54.2 | 13% | 0.126 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -77.4 | -51.1 | 172.6 | -76.2 | 163.2 | 0 | 0 | 0 | 111.8 | L319 H322 L334 L338 D370 | L319-L374 HydrophobicContact CB-CD1 4.12Å; L319-L374 HydrophobicContact CD2-CD1 3.69Å; H322-L374 VanDerWaalsContact CE1-CD2 3.43Å; H322-L374 WeakPolarHBondContact CE1-CD2 3.32Å; L334-L374 HydrophobicContact CD1-CD1 4.02Å; L334-L374 HydrophobicContact CD1-CD2 4.14Å; L334-L374 HydrophobicContact CD2-CD2 4.4Å; L338-L374 HydrophobicContact CD2-CB 4.24Å; L338-L374 HydrophobicContact CD2-CD1 3.94Å; D370-L374 VanDerWaalsContact O-CB 3.31Å; D370-L374 WeakPolarHBondContact O-CB 3.46Å; D370-L374 WeakPolarHBondContact O-CD1 3.37Å; D370-L374 VanDerWaalsContact O-CG 3.29Å; D370-L374 WeakPolarHBondContact O-CG 3.29Å; D370-L374 PolarHBondContact O-N 3.36Å |
| 375 | L | 93.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -82.4 | -36.2 | -167.7 | -68.1 | 178 | 0 | 0 | 0 | 113.1 | L338 V342 L371 Y382 L395 L396 F399 Y426 | L338-L375 HydrophobicContact CD1-CD2 4.2Å; L338-L375 HydrophobicContact CD2-CD1 4.43Å; L338-L375 HydrophobicContact CD2-CD2 3.89Å; L338-L375 HydrophobicContact CD2-CG 4.05Å; V342-L375 HydrophobicContact CG2-CD1 4.1Å; L371-L375 HydrophobicContact CD2-CD1 4.49Å; L371-L375 WeakPolarHBondContact O-CB 3.49Å; L371-L375 WeakPolarHBondContact O-CG 3.33Å; L371-L375 PolarHBondContact O-N 3.46Å; L375-Y382 HydrophobicContact CD2-CD1 3.72Å; L375-Y382 HydrophobicContact CD2-CE1 4.26Å; L375-Y382 HydrophobicContact CD2-CG 3.93Å; L375-L395 HydrophobicContact CD2-CD2 4.49Å; L375-L396 HydrophobicContact CB-CD2 3.62Å; L375-L396 HydrophobicContact CD2-CD2 3.91Å; L375-L396 HydrophobicContact CG-CD2 4.22Å; L375-L396 WeakPolarHBondContact O-CD2 3.28Å; L375-F399 HydrophobicContact CD1-CB 3.83Å; L375-F399 HydrophobicContact CD1-CD1 4.02Å; L375-F399 HydrophobicContact CD1-CD2 4.47Å; L375-F399 HydrophobicContact CD1-CG 3.84Å; L375-Y426 PolarHBondContact O-OH 3.04Å |
| 376 | F | 93.6 | Very high | 87.5 | Confident | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.035 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -117.6 | 38.3 | -170.5 | -70.6 | -88 | 0 | 0 | 0 | 114 | Q372 P378 L396 F399 F400 L413 Y426 V429 | Q372-F376 PolarHBondContact O-N 3.45Å; Q372-F376 VanDerWaalsContact O-N 3.09Å; F376-P378 WeakPolarHBondContact O-CD 3.22Å; F376-L396 HydrophobicContact CD2-CD2 4.3Å; F376-L396 HydrophobicContact CE1-CD2 4.41Å; F376-L396 HydrophobicContact CE2-CB 4.44Å; F376-L396 HydrophobicContact CE2-CD2 3.74Å; F376-L396 HydrophobicContact CZ-CB 3.89Å; F376-L396 HydrophobicContact CZ-CD2 3.83Å; F376-L396 HydrophobicContact CZ-CG 4.41Å; F376-L396 WeakPolarHBondContact CZ-O 3.26Å; F376-F399 HydrophobicContact CD2-CD1 4.13Å; F376-F399 AromaticContact CE2-CD1 3.84Å; F376-F399 HydrophobicContact CE2-CD1 3.84Å; F376-F400 HydrophobicContact CZ-CB 4.33Å; F376-L413 HydrophobicContact CB-CD1 3.65Å; F376-L413 HydrophobicContact CD1-CD1 3.39Å; F376-L413 HydrophobicContact CD2-CD1 3.57Å; F376-L413 HydrophobicContact CE1-CD1 3.83Å; F376-L413 HydrophobicContact CE2-CD1 4.03Å; F376-L413 HydrophobicContact CG-CD1 3.22Å; F376-L413 HydrophobicContact CZ-CD1 4.12Å; F376-Y426 VanDerWaalsContact CA-OH 3.31Å; F376-Y426 WeakPolarHBondContact CA-OH 3.46Å; F376-Y426 AromaticContact CD1-CD1 3.77Å; F376-Y426 HydrophobicContact CD1-CD1 3.77Å; F376-Y426 AromaticContact CD1-CE1 3.76Å; F376-Y426 HydrophobicContact CD1-CE1 3.76Å; F376-Y426 HydrophobicContact CD1-CG 4.26Å; F376-Y426 AromaticContact CE1-CD1 3.91Å; F376-Y426 HydrophobicContact CE1-CD1 3.91Å; F376-Y426 HydrophobicContact CE1-CE1 4.17Å; F376-Y426 HydrophobicContact CG-CE1 4.46Å; F376-V429 HydrophobicContact CE1-CG1 3.94Å; F376-V429 HydrophobicContact CZ-CG1 3.85Å |
| 377 | N | 90.9 | Very high | 86.1 | Confident | 55 Ų | 55 | 58.9 Ų | 58.9 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | trans | -84.4 | 111.9 | 172.8 | -168.6 | -38.2 | 0 | 0 | 0 | 111.5 | N379 K380 P381 Y426 | N377-N379 VanDerWaalsContact C-N 3.26Å; N377-N379 PolarHBondContact O-N 3.43Å; N377-N379 WeakPolarHBondContact OD1-CB 3.08Å; N377-N379 PolarHBondContact OD1-N 3.46Å; N377-K380 CarbonylContact O-C 3.56Å; N377-K380 PolarHBondContact O-N 2.88Å; N377-K380 PolarHBondContact OD1-N 2.97Å; N377-P381 WeakPolarHBondContact O-CA 3.25Å; N377-Y426 PolarHBondContact N-OH 2.99Å; N377-Y426 PolarHBondContact O-OH 3.12Å; N377-Y426 VanDerWaalsContact O-OH 3.13Å | ||
| 378 | P | 87.8 | Confident | 84.8 | Confident | 54 Ų | 54 | 60.8 Ų | 60.8 | 35% | 0.351 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -24.1 | -178.6 | 28.3 | -35.2 | 0 | 0 | 0 | 113.6 | F376 | F376-P378 WeakPolarHBondContact O-CD 3.22Š|
| 379 | N | 88.6 | Confident | 84.4 | Confident | 155 Ų | 155 | 63.2 Ų | 63.2 | 83% | 0.829 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -22 | -179.8 | -58.9 | -31.6 | 0 | 0 | 0 | 112.5 | N377 | N377-N379 VanDerWaalsContact C-N 3.26Å; N377-N379 PolarHBondContact O-N 3.43Å; N377-N379 WeakPolarHBondContact OD1-CB 3.08Å; N377-N379 PolarHBondContact OD1-N 3.46Å |
| 380 | K | 88 | Confident | 84.1 | Confident | 167 Ų | 167 | 64.3 Ų | 64.3 | 73% | 0.726 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -148.7 | 78.4 | 178.3 | -171.4 | -175.3 | 177.7 | -176.9 | 0 | 109.3 | N377 | N377-K380 CarbonylContact O-C 3.56Å; N377-K380 PolarHBondContact O-N 2.88Å; N377-K380 PolarHBondContact OD1-N 2.97Å |
| 381 | P | 85.6 | Confident | 83.8 | Confident | 49 Ų | 49 | 65.1 Ų | 65.1 | 32% | 0.318 | 34% | 0.341 | S | S | . | . | trans | -62.3 | 139.5 | -178.3 | 24.6 | -33.8 | 0 | 0 | 0 | 111.3 | N377 P423 Y426 | N377-P381 WeakPolarHBondContact O-CA 3.25Å; P381-P423 HydrophobicContact CB-CB 4.33Å; P381-P423 HydrophobicContact CB-CG 4.14Å; P381-P423 HydrophobicContact CG-CB 4.37Å; P381-P423 HydrophobicContact CG-CG 4.05Å; P381-Y426 WeakPolarHBondContact CA-OH 3.16Å | ||
| 382 | Y | 88.7 | Confident | 83.6 | Confident | 32 Ų | 32 | 65.1 Ų | 65.1 | 13% | 0.125 | 34% | 0.341 | C | S | . | . | trans | -69.2 | 135.8 | 175.7 | -178.9 | -100.9 | 0 | 0 | 0 | 110.9 | L338 L375 R384 T392 L395 | L338-Y382 HydrophobicContact CD1-CD2 4.03Å; L338-Y382 HydrophobicContact CD1-CE1 4.08Å; L338-Y382 HydrophobicContact CD1-CE2 3.39Å; L338-Y382 VanDerWaalsContact CD1-CZ 3.42Å; L375-Y382 HydrophobicContact CD2-CD1 3.72Å; L375-Y382 HydrophobicContact CD2-CE1 4.26Å; L375-Y382 HydrophobicContact CD2-CG 3.93Å; Y382-R384 HydrophobicContact CE1-CB 3.89Å; Y382-R384 HydrophobicContact CE1-CG 4.49Å; Y382-T392 HydrophobicContact CD1-CG2 4.09Å; Y382-T392 VanDerWaalsContact O-CG2 3.32Å; Y382-T392 WeakPolarHBondContact O-CG2 3.45Å; Y382-L395 HydrophobicContact CE1-CD2 4Å | ||
| 383 | L | 83.7 | Confident | 83.5 | Confident | 80 Ų | 80 | 65.3 Ų | 65.3 | 42% | 0.419 | 34% | 0.342 | S | S | . | . | trans | -136 | 119.7 | 175.2 | -75.6 | 166.9 | 0 | 0 | 0 | 107.6 | L389 T392 | L383-L389 HydrophobicContact CD2-CD1 3.67Å; L383-T392 HydrophobicContact CD2-CG2 4.49Å | ||
| 384 | R | 76.5 | Confident | 83.6 | Confident | 56 Ų | 56 | 64.7 Ų | 64.7 | 21% | 0.211 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -73.5 | -45.5 | -174.6 | -170.2 | 176 | 171.8 | -157.2 | -13.5 | 111.8 | E335 Y382 E391 T392 | E335-R384 HydrophobicContact CG-CG 4.07Å; E335-R384 IonicContact OE1-CZ 2.75Å; E335-R384 VanDerWaalsContact OE1-CZ 3.28Å; E335-R384 IonicContact OE1-NE 3.92Å; E335-R384 PolarHBondContact OE1-NE 3.45Å; E335-R384 IonicContact OE1-NH2 3.24Å; E335-R384 PolarHBondContact OE1-NH2 3.45Å; Y382-R384 HydrophobicContact CE1-CB 3.89Å; Y382-R384 HydrophobicContact CE1-CG 4.49Å; R384-E391 IonicContact CZ-OE2 3.47Å; R384-E391 IonicContact NE-OE2 3.17Å; R384-E391 IonicContact NH1-OE2 2.66Å; R384-E391 PolarHBondContact NH1-OE2 3.2Å; R384-E391 IonicContact NH2-OE2 2.78Å; R384-T392 WeakPolarHBondContact CB-OG1 3.44Å; R384-T392 PolarHBondContact N-OG1 2.88Å |
| 385 | N | 68.9 | Low | 83.8 | Confident | 35 Ų | 35 | 63.7 Ų | 63.7 | 19% | 0.187 | 34% | 0.339 | C | S | . | . | trans | -147.4 | 135.4 | 171.6 | 178.5 | -1.4 | 0 | 0 | 0 | 108 | Q387 N388 | N385-Q387 PolarHBondContact O-N 2.94Å; N385-Q387 VanDerWaalsContact O-N 3.12Å; N385-Q387 PolarHBondContact OD1-N 3.26Å; N385-N388 PolarHBondContact O-N 3.13Å | ||
| 386 | N | 59.1 | Low | 83.9 | Confident | 152 Ų | 152 | 63.7 Ų | 63.7 | 81% | 0.813 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -61.9 | -16.6 | 177.3 | -77.5 | -8.1 | 0 | 0 | 0 | 113.7 | ||
| 387 | Q | 62.7 | Low | 84 | Confident | 127 Ų | 127 | 64 Ų | 64 | 59% | 0.593 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -92.1 | -30.2 | 177.8 | -68.4 | 175.1 | -15.3 | 0 | 0 | 113.5 | N385 | N385-Q387 PolarHBondContact O-N 2.94Å; N385-Q387 VanDerWaalsContact O-N 3.12Å; N385-Q387 PolarHBondContact OD1-N 3.26Å |
| 388 | N | 66.9 | Low | 84.3 | Confident | 44 Ų | 44 | 63.4 Ų | 63.4 | 24% | 0.235 | 34% | 0.337 | C | S | . | . | trans | -118.4 | 81.9 | -174.2 | -75.1 | -1.1 | 0 | 0 | 0 | 112.1 | N385 A390 E391 | N385-N388 PolarHBondContact O-N 3.13Å; N388-A390 VanDerWaalsContact C-N 3.29Å; N388-A390 PolarHBondContact O-N 3.09Å; N388-E391 HydrophobicContact CB-CB 4.49Å; N388-E391 HydrophobicContact CB-CG 4.21Å; N388-E391 WeakPolarHBondContact CB-OE1 3.41Å; N388-E391 PolarHBondContact ND2-OE1 3.09Å | ||
| 389 | L | 81.2 | Confident | 84.7 | Confident | 76 Ų | 76 | 60.9 Ų | 60.9 | 40% | 0.398 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.4 | -35.3 | 177.1 | -165.6 | 67.9 | 0 | 0 | 0 | 112.4 | L383 E391 T392 E393 I425 | L383-L389 HydrophobicContact CD2-CD1 3.67Å; L389-E391 PolarHBondContact O-N 3.34Å; L389-T392 WeakPolarHBondContact O-CA 3.47Å; L389-T392 VanDerWaalsContact O-CB 3.3Å; L389-T392 WeakPolarHBondContact O-CB 3.42Å; L389-T392 PolarHBondContact O-N 2.95Å; L389-E393 PolarHBondContact O-N 3.46Å; L389-I425 HydrophobicContact CD1-CD1 3.94Å |
| 390 | A | 84.4 | Confident | 85 | Confident | 76 Ų | 76 | 53.8 Ų | 53.8 | 63% | 0.628 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.6 | -37.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | N388 T392 E393 S394 | N388-A390 VanDerWaalsContact C-N 3.29Å; N388-A390 PolarHBondContact O-N 3.09Å; A390-T392 PolarHBondContact O-N 3.03Å; A390-E393 PolarHBondContact O-N 3.15Å; A390-S394 PolarHBondContact O-N 3.43Å |
| 391 | E | 87.5 | Confident | 85.4 | Confident | 59 Ų | 59 | 45.9 Ų | 45.9 | 28% | 0.276 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.3 | -31.5 | 174 | -69.6 | -178 | -124.7 | 0 | 0 | 112.1 | R384 N388 L389 L395 | R384-E391 IonicContact CZ-OE2 3.47Å; R384-E391 IonicContact NE-OE2 3.17Å; R384-E391 IonicContact NH1-OE2 2.66Å; R384-E391 PolarHBondContact NH1-OE2 3.2Å; R384-E391 IonicContact NH2-OE2 2.78Å; N388-E391 HydrophobicContact CB-CB 4.49Å; N388-E391 HydrophobicContact CB-CG 4.21Å; N388-E391 WeakPolarHBondContact CB-OE1 3.41Å; N388-E391 PolarHBondContact ND2-OE1 3.09Å; L389-E391 PolarHBondContact O-N 3.34Å; E391-L395 PolarHBondContact O-N 3.09Å |
| 392 | T | 90.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -72.4 | -44.8 | 174.6 | -50.1 | 0 | 0 | 0 | 0 | 110.2 | Y382 L383 R384 L389 A390 S394 L395 L396 I425 | Y382-T392 HydrophobicContact CD1-CG2 4.09Å; Y382-T392 VanDerWaalsContact O-CG2 3.32Å; Y382-T392 WeakPolarHBondContact O-CG2 3.45Å; L383-T392 HydrophobicContact CD2-CG2 4.49Å; R384-T392 WeakPolarHBondContact CB-OG1 3.44Å; R384-T392 PolarHBondContact N-OG1 2.88Å; L389-T392 WeakPolarHBondContact O-CA 3.47Å; L389-T392 VanDerWaalsContact O-CB 3.3Å; L389-T392 WeakPolarHBondContact O-CB 3.42Å; L389-T392 PolarHBondContact O-N 2.95Å; A390-T392 PolarHBondContact O-N 3.03Å; T392-S394 VanDerWaalsContact C-N 3.35Å; T392-S394 PolarHBondContact O-N 3.11Å; T392-L395 PolarHBondContact O-N 2.85Å; T392-L396 HydrophobicContact CG2-CD1 3.95Å; T392-L396 HydrophobicContact CG2-CG 4.37Å; T392-L396 WeakPolarHBondContact O-CB 3.38Å; T392-L396 VanDerWaalsContact O-CG 3.22Å; T392-L396 WeakPolarHBondContact O-CG 3.44Å; T392-L396 PolarHBondContact O-N 2.95Å; T392-I425 HydrophobicContact CG2-CD1 3.74Å |
| 393 | E | 91.9 | Very high | 86.1 | Confident | 48 Ų | 48 | 42.4 Ų | 42.4 | 22% | 0.224 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59 | -43.9 | 175.5 | -170.5 | -172.7 | 148.9 | 0 | 0 | 111.8 | L389 A390 L396 T397 T428 V429 S432 | L389-E393 PolarHBondContact O-N 3.46Å; A390-E393 PolarHBondContact O-N 3.15Å; E393-L396 PolarHBondContact O-N 3.39Å; E393-T397 VanDerWaalsContact O-CB 3.23Å; E393-T397 WeakPolarHBondContact O-CB 3.47Å; E393-T397 PolarHBondContact O-N 3.45Å; E393-T397 PolarHBondContact O-OG1 3.44Å; E393-T428 WeakPolarHBondContact OE1-CG2 3.36Å; E393-T428 WeakPolarHBondContact OE2-CG2 3.47Å; E393-V429 HydrophobicContact CG-CG2 3.9Å; E393-S432 PolarHBondContact OE1-OG 2.93Å |
| 394 | S | 93.2 | Very high | 86.6 | Confident | 61 Ų | 61 | 39.3 Ų | 39.3 | 43% | 0.427 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.4 | -53.9 | 178.4 | -168.3 | 0 | 0 | 0 | 0 | 111.5 | A390 T392 L396 T397 E398 | A390-S394 PolarHBondContact O-N 3.43Å; T392-S394 VanDerWaalsContact C-N 3.35Å; T392-S394 PolarHBondContact O-N 3.11Å; S394-L396 VanDerWaalsContact C-N 3.34Å; S394-L396 PolarHBondContact O-N 3.02Å; S394-T397 CarbonylContact O-C 3.24Å; S394-T397 PolarHBondContact O-N 3.01Å; S394-T397 VanDerWaalsContact O-N 3.1Å; S394-E398 WeakPolarHBondContact O-CG 3.4Å; S394-E398 PolarHBondContact O-N 2.69Å |
| 395 | L | 95.5 | Very high | 87.4 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.6 | -44 | -180 | 177.4 | 58.2 | 0 | 0 | 0 | 112.3 | L338 L339 V342 L375 Y382 E391 T392 E398 F399 | L338-L395 HydrophobicContact CB-CD2 4.41Å; L339-L395 HydrophobicContact CD2-CD1 4.12Å; L339-L395 HydrophobicContact CD2-CD2 4.28Å; V342-L395 HydrophobicContact CB-CD1 3.85Å; V342-L395 HydrophobicContact CG1-CD1 3.99Å; V342-L395 HydrophobicContact CG2-CD1 3.76Å; L375-L395 HydrophobicContact CD2-CD2 4.49Å; Y382-L395 HydrophobicContact CE1-CD2 4Å; E391-L395 PolarHBondContact O-N 3.09Å; T392-L395 PolarHBondContact O-N 2.85Å; L395-E398 PolarHBondContact O-N 2.82Å; L395-F399 PolarHBondContact O-N 2.96Å |
| 396 | L | 95.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.3 | -38.8 | 176.5 | -68.7 | 175.9 | 0 | 0 | 0 | 111.8 | L375 F376 T392 E393 S394 F400 I425 Y426 V429 | L375-L396 HydrophobicContact CB-CD2 3.62Å; L375-L396 HydrophobicContact CD2-CD2 3.91Å; L375-L396 HydrophobicContact CG-CD2 4.22Å; L375-L396 WeakPolarHBondContact O-CD2 3.28Å; F376-L396 HydrophobicContact CD2-CD2 4.3Å; F376-L396 HydrophobicContact CE1-CD2 4.41Å; F376-L396 HydrophobicContact CE2-CB 4.44Å; F376-L396 HydrophobicContact CE2-CD2 3.74Å; F376-L396 HydrophobicContact CZ-CB 3.89Å; F376-L396 HydrophobicContact CZ-CD2 3.83Å; F376-L396 HydrophobicContact CZ-CG 4.41Å; F376-L396 WeakPolarHBondContact CZ-O 3.26Å; T392-L396 HydrophobicContact CG2-CD1 3.95Å; T392-L396 HydrophobicContact CG2-CG 4.37Å; T392-L396 WeakPolarHBondContact O-CB 3.38Å; T392-L396 VanDerWaalsContact O-CG 3.22Å; T392-L396 WeakPolarHBondContact O-CG 3.44Å; T392-L396 PolarHBondContact O-N 2.95Å; E393-L396 PolarHBondContact O-N 3.39Å; S394-L396 VanDerWaalsContact C-N 3.34Å; S394-L396 PolarHBondContact O-N 3.02Å; L396-F400 VanDerWaalsContact O-CB 3.27Å; L396-F400 WeakPolarHBondContact O-CB 3.47Å; L396-F400 PolarHBondContact O-N 3.25Å; L396-I425 HydrophobicContact CD1-CD1 3.68Å; L396-I425 HydrophobicContact CD1-CG1 3.97Å; L396-Y426 HydrophobicContact CD1-CD1 4.5Å; L396-Y426 HydrophobicContact CD1-CE1 4.26Å; L396-V429 HydrophobicContact CB-CB 4.38Å; L396-V429 HydrophobicContact CB-CG1 3.96Å; L396-V429 HydrophobicContact CB-CG2 3.49Å; L396-V429 VanDerWaalsContact CB-CG2 3.49Å; L396-V429 HydrophobicContact CD1-CG2 4.03Å; L396-V429 HydrophobicContact CG-CG2 4.42Å |
| 397 | T | 96.6 | Very high | 89.9 | Confident | 13 Ų | 13 | 32 Ų | 32 | 8% | 0.08 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70.6 | -32.9 | 177.9 | -57.3 | 0 | 0 | 0 | 0 | 112 | E393 S394 V401 R436 | E393-T397 VanDerWaalsContact O-CB 3.23Å; E393-T397 WeakPolarHBondContact O-CB 3.47Å; E393-T397 PolarHBondContact O-N 3.45Å; E393-T397 PolarHBondContact O-OG1 3.44Å; S394-T397 CarbonylContact O-C 3.24Å; S394-T397 PolarHBondContact O-N 3.01Å; S394-T397 VanDerWaalsContact O-N 3.1Å; T397-V401 WeakPolarHBondContact O-CG2 3.19Å; T397-V401 PolarHBondContact O-N 3.42Å; T397-V401 VanDerWaalsContact O-N 3.13Å; T397-R436 VanDerWaalsContact C-NH2 3.25Å; T397-R436 PolarHBondContact O-NH2 3.24Å |
| 398 | E | 96.1 | Very high | 91 | Very high | 44 Ų | 44 | 26.9 Ų | 26.9 | 21% | 0.206 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.8 | -48.3 | 172.3 | -72.8 | -179.2 | 128.1 | 0 | 0 | 112.2 | V342 K346 S394 L395 F400 A402 R436 | V342-E398 HydrophobicContact CG1-CB 3.94Å; K346-E398 IonicContact NZ-OE1 3.5Å; S394-E398 WeakPolarHBondContact O-CG 3.4Å; S394-E398 PolarHBondContact O-N 2.69Å; L395-E398 PolarHBondContact O-N 2.82Å; E398-F400 PolarHBondContact O-N 2.98Å; E398-A402 VanDerWaalsContact O-CB 3.32Å; E398-A402 WeakPolarHBondContact O-CB 3.39Å; E398-A402 PolarHBondContact O-N 2.93Å; E398-R436 VanDerWaalsContact CA-NH2 3.27Å |
| 399 | F | 97 | Very high | 91.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.7 | -42.6 | 172.8 | -171.9 | -108.6 | 0 | 0 | 0 | 112.2 | V342 L371 Q372 L375 F376 L395 V401 A402 Y403 | V342-F399 HydrophobicContact CG1-CB 4.22Å; V342-F399 HydrophobicContact CG2-CB 3.98Å; V342-F399 HydrophobicContact CG2-CD2 4Å; V342-F399 HydrophobicContact CG2-CG 4.34Å; L371-F399 HydrophobicContact CB-CD2 4.17Å; L371-F399 HydrophobicContact CB-CE1 4.21Å; L371-F399 HydrophobicContact CB-CE2 3.48Å; L371-F399 VanDerWaalsContact CB-CE2 3.48Å; L371-F399 HydrophobicContact CB-CZ 3.48Å; L371-F399 VanDerWaalsContact CB-CZ 3.48Å; L371-F399 HydrophobicContact CD1-CD2 4Å; L371-F399 HydrophobicContact CD1-CE2 3.54Å; L371-F399 HydrophobicContact CD1-CZ 4.38Å; L371-F399 HydrophobicContact CG-CE2 4.14Å; Q372-F399 HydrophobicContact CB-CE1 4.31Å; L375-F399 HydrophobicContact CD1-CB 3.83Å; L375-F399 HydrophobicContact CD1-CD1 4.02Å; L375-F399 HydrophobicContact CD1-CD2 4.47Å; L375-F399 HydrophobicContact CD1-CG 3.84Å; F376-F399 HydrophobicContact CD2-CD1 4.13Å; F376-F399 AromaticContact CE2-CD1 3.84Å; F376-F399 HydrophobicContact CE2-CD1 3.84Å; L395-F399 PolarHBondContact O-N 2.96Å; F399-V401 PolarHBondContact O-N 3.33Å; F399-A402 PolarHBondContact O-N 3.04Å; F399-Y403 AromaticContact CE1-CD2 3.64Å; F399-Y403 HydrophobicContact CE1-CD2 3.64Å; F399-Y403 HydrophobicContact CE1-CE2 4.37Å; F399-Y403 HydrophobicContact CE1-CG 4.48Å; F399-Y403 AromaticContact CZ-CD2 3.77Å; F399-Y403 HydrophobicContact CZ-CD2 3.77Å; F399-Y403 WeakPolarHBondContact O-CB 3.33Å; F399-Y403 PolarHBondContact O-N 3.11Å |
| 400 | F | 95.9 | Very high | 91.8 | Very high | 6 Ų | 6 | 32 Ų | 32 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.4 | -46.3 | -179.8 | -178.6 | -83.4 | 0 | 0 | 0 | 112.8 | F376 L396 E398 F404 L413 V429 L430 I437 | F376-F400 HydrophobicContact CZ-CB 4.33Å; L396-F400 VanDerWaalsContact O-CB 3.27Å; L396-F400 WeakPolarHBondContact O-CB 3.47Å; L396-F400 PolarHBondContact O-N 3.25Å; E398-F400 PolarHBondContact O-N 2.98Å; F400-F404 WeakPolarHBondContact O-CB 3.4Å; F400-F404 PolarHBondContact O-N 3.24Å; F400-F404 VanDerWaalsContact O-N 3.09Å; F400-L413 HydrophobicContact CB-CD2 4.28Å; F400-L413 HydrophobicContact CD2-CD1 4.43Å; F400-L413 HydrophobicContact CD2-CD2 3.55Å; F400-L413 HydrophobicContact CD2-CG 3.73Å; F400-L413 HydrophobicContact CE2-CD2 4.19Å; F400-L413 HydrophobicContact CE2-CG 4.01Å; F400-L413 HydrophobicContact CG-CD2 4.18Å; F400-V429 HydrophobicContact CB-CG1 4.07Å; F400-V429 HydrophobicContact CG-CG1 4.43Å; F400-L430 HydrophobicContact CE1-CD1 4.3Å; F400-L430 HydrophobicContact CE2-CD1 3.93Å; F400-L430 HydrophobicContact CZ-CD1 3.46Å; F400-L430 VanDerWaalsContact CZ-CD1 3.46Å; F400-I437 HydrophobicContact CE1-CD1 4.45Å |
| 401 | V | 95.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -73.3 | -37.1 | -180 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | T397 F399 F404 R405 I437 | T397-V401 WeakPolarHBondContact O-CG2 3.19Å; T397-V401 PolarHBondContact O-N 3.42Å; T397-V401 VanDerWaalsContact O-N 3.13Å; F399-V401 PolarHBondContact O-N 3.33Å; V401-F404 PolarHBondContact O-N 3.3Å; V401-R405 WeakPolarHBondContact O-CG 3.29Å; V401-R405 PolarHBondContact O-N 3.4Å; V401-I437 HydrophobicContact CG1-CG1 4.07Å; V401-I437 HydrophobicContact CG2-CD1 4.18Å; V401-I437 HydrophobicContact CG2-CG1 4.12Å |
| 402 | A | 95.3 | Very high | 91.4 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 3% | 0.025 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.6 | -50.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | C345 T349 E398 F399 F404 R405 I406 | C345-A402 HydrophobicContact CB-CB 4.14Å; T349-A402 HydrophobicContact CG2-CB 4.29Å; E398-A402 VanDerWaalsContact O-CB 3.32Å; E398-A402 WeakPolarHBondContact O-CB 3.39Å; E398-A402 PolarHBondContact O-N 2.93Å; F399-A402 PolarHBondContact O-N 3.04Å; A402-F404 VanDerWaalsContact C-N 3.31Å; A402-F404 PolarHBondContact O-N 3.12Å; A402-R405 PolarHBondContact O-N 3.28Å; A402-R405 VanDerWaalsContact O-N 3.09Å; A402-I406 VanDerWaalsContact O-CD1 3.3Å; A402-I406 WeakPolarHBondContact O-CD1 3.36Å; A402-I406 VanDerWaalsContact O-CG1 3.24Å; A402-I406 WeakPolarHBondContact O-CG1 3.25Å; A402-I406 PolarHBondContact O-N 3.17Å |
| 403 | Y | 94.2 | Very high | 91.2 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 2% | 0.02 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -50.2 | -51.4 | 174.4 | -176.4 | -71.2 | 0 | 0 | 0 | 111.3 | Y368 Q372 F399 R405 I406 T407 N410 L413 | Y368-Y403 HydrophobicContact CD2-CD2 4.33Å; Y368-Y403 HydrophobicContact CE1-CD2 4.31Å; Y368-Y403 AromaticContact CE1-CE2 3.83Å; Y368-Y403 HydrophobicContact CE1-CE2 3.83Å; Y368-Y403 AromaticContact CE2-CD2 3.51Å; Y368-Y403 HydrophobicContact CE2-CD2 3.51Å; Y368-Y403 AromaticContact CE2-CE2 3.87Å; Y368-Y403 HydrophobicContact CE2-CE2 3.87Å; Y368-Y403 AromaticContact CE2-CG 3.98Å; Y368-Y403 HydrophobicContact CE2-CG 3.98Å; Y368-Y403 AromaticContact CZ-CD2 3.5Å; Y368-Y403 VanDerWaalsContact CZ-CD2 3.5Å; Y368-Y403 AromaticContact CZ-CE2 3.32Å; Y368-Y403 AromaticContact CZ-CZ 3.8Å; Y368-Y403 WeakPolarHBondContact OH-CD2 3.43Å; Y368-Y403 WeakPolarHBondContact OH-CE1 3.25Å; Y368-Y403 WeakPolarHBondContact OH-CE2 3.43Å; Q372-Y403 HydrophobicContact CB-CE2 4.31Å; Q372-Y403 HydrophobicContact CG-CE2 3.93Å; Q372-Y403 PolarHBondContact OE1-OH 3.15Å; F399-Y403 AromaticContact CE1-CD2 3.64Å; F399-Y403 HydrophobicContact CE1-CD2 3.64Å; F399-Y403 HydrophobicContact CE1-CE2 4.37Å; F399-Y403 HydrophobicContact CE1-CG 4.48Å; F399-Y403 AromaticContact CZ-CD2 3.77Å; F399-Y403 HydrophobicContact CZ-CD2 3.77Å; F399-Y403 WeakPolarHBondContact O-CB 3.33Å; F399-Y403 PolarHBondContact O-N 3.11Å; Y403-R405 VanDerWaalsContact C-N 3.33Å; Y403-R405 PolarHBondContact O-N 3.47Å; Y403-I406 PolarHBondContact O-N 3.04Å; Y403-T407 PolarHBondContact O-N 3.18Å; Y403-T407 PolarHBondContact O-OG1 3.32Å; Y403-N410 HydrophobicContact CE1-CB 4.4Å; Y403-N410 PolarHBondContact OH-ND2 3.41Å; Y403-N410 PolarHBondContact OH-OD1 3.08Å; Y403-L413 HydrophobicContact CD1-CB 4.06Å; Y403-L413 HydrophobicContact CD1-CD2 3.79Å; Y403-L413 HydrophobicContact CD2-CB 4.49Å; Y403-L413 HydrophobicContact CD2-CD2 3.88Å; Y403-L413 HydrophobicContact CE1-CB 3.55Å; Y403-L413 HydrophobicContact CE1-CD2 4.16Å; Y403-L413 HydrophobicContact CE1-CG 4.48Å; Y403-L413 HydrophobicContact CE2-CB 4.05Å; Y403-L413 HydrophobicContact CE2-CD2 4.21Å; Y403-L413 HydrophobicContact CG-CD2 3.66Å; Y403-L413 PolarHBondContact OH-N 2.81Å |
| 404 | F | 93.3 | Very high | 90.9 | Very high | 14 Ų | 14 | 31.3 Ų | 31.3 | 6% | 0.061 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63 | -37.9 | 179 | 176.8 | -111.5 | 0 | 0 | 0 | 113.3 | F400 V401 A402 T407 P408 I437 P447 D448 P451 F452 | F400-F404 WeakPolarHBondContact O-CB 3.4Å; F400-F404 PolarHBondContact O-N 3.24Å; F400-F404 VanDerWaalsContact O-N 3.09Å; V401-F404 PolarHBondContact O-N 3.3Å; A402-F404 VanDerWaalsContact C-N 3.31Å; A402-F404 PolarHBondContact O-N 3.12Å; F404-T407 CarbonylContact O-C 3.38Å; F404-P408 HydrophobicContact CD2-CB 4.46Å; F404-P408 HydrophobicContact CE2-CB 4.02Å; F404-P408 HydrophobicContact CZ-CB 4.41Å; F404-P408 VanDerWaalsContact O-CA 3.25Å; F404-P408 WeakPolarHBondContact O-CA 3.39Å; F404-P408 WeakPolarHBondContact O-CB 3.24Å; F404-P408 WeakPolarHBondContact O-CD 3.35Å; F404-P408 VanDerWaalsContact O-N 3.11Å; F404-I437 HydrophobicContact CD1-CD1 3.53Å; F404-I437 HydrophobicContact CD1-CG1 4.24Å; F404-I437 HydrophobicContact CE1-CD1 4.08Å; F404-I437 HydrophobicContact CE1-CG2 4.19Å; F404-I437 HydrophobicContact CG-CD1 4.23Å; F404-P447 HydrophobicContact CD1-CG 3.88Å; F404-P447 HydrophobicContact CE1-CB 3.77Å; F404-P447 HydrophobicContact CE1-CG 3.47Å; F404-P447 VanDerWaalsContact CE1-CG 3.47Å; F404-P447 HydrophobicContact CZ-CB 3.75Å; F404-P447 HydrophobicContact CZ-CG 3.85Å; F404-D448 WeakPolarHBondContact CZ-O 3.38Å; F404-P451 HydrophobicContact CE2-CB 4.35Å; F404-P451 HydrophobicContact CE2-CG 4.26Å; F404-P451 HydrophobicContact CZ-CB 4.49Å; F404-P451 HydrophobicContact CZ-CG 4.1Å; F404-F452 HydrophobicContact CD1-CE2 4.07Å; F404-F452 HydrophobicContact CD1-CZ 4.18Å; F404-F452 HydrophobicContact CD2-CE1 4.45Å; F404-F452 AromaticContact CD2-CE2 3.93Å; F404-F452 HydrophobicContact CD2-CE2 3.93Å; F404-F452 AromaticContact CD2-CZ 3.52Å; F404-F452 HydrophobicContact CD2-CZ 3.52Å; F404-F452 VanDerWaalsContact CD2-CZ 3.48Å; F404-F452 AromaticContact CE1-CE2 3.66Å; F404-F452 HydrophobicContact CE1-CE2 3.66Å; F404-F452 HydrophobicContact CE1-CZ 4.18Å; F404-F452 HydrophobicContact CE2-CD2 4.42Å; F404-F452 AromaticContact CE2-CE2 3.51Å; F404-F452 HydrophobicContact CE2-CE2 3.51Å; F404-F452 VanDerWaalsContact CE2-CE2 3.49Å; F404-F452 AromaticContact CE2-CZ 3.54Å; F404-F452 HydrophobicContact CE2-CZ 3.54Å; F404-F452 HydrophobicContact CG-CE2 4.2Å; F404-F452 AromaticContact CG-CZ 3.86Å; F404-F452 HydrophobicContact CG-CZ 3.86Å; F404-F452 HydrophobicContact CZ-CD2 4.25Å; F404-F452 AromaticContact CZ-CE2 3.36Å; F404-F452 HydrophobicContact CZ-CE2 3.36Å; F404-F452 AromaticContact CZ-CZ 3.88Å; F404-F452 HydrophobicContact CZ-CZ 3.88Å |
| 405 | R | 93.2 | Very high | 90.6 | Very high | 21 Ų | 21 | 34.1 Ų | 34.1 | 8% | 0.079 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.9 | -36.8 | 177.7 | -74.1 | 175.2 | -178.6 | 167.4 | 4.9 | 113 | T349 V401 A402 Y403 W446 P447 | T349-R405 HydrophobicContact CG2-CB 3.62Å; T349-R405 HydrophobicContact CG2-CG 4.48Å; V401-R405 WeakPolarHBondContact O-CG 3.29Å; V401-R405 PolarHBondContact O-N 3.4Å; A402-R405 PolarHBondContact O-N 3.28Å; A402-R405 VanDerWaalsContact O-N 3.09Å; Y403-R405 VanDerWaalsContact C-N 3.33Å; Y403-R405 PolarHBondContact O-N 3.47Å; R405-W446 HydrophobicContact CG-CG 4.24Å; R405-W446 VanDerWaalsContact NH1-CZ2 3.31Å; R405-W446 VanDerWaalsContact NH2-CZ3 3.3Å; R405-P447 HydrophobicContact CG-CG 4.48Å |
| 406 | I | 91.9 | Very high | 90.4 | Very high | 31 Ų | 31 | 35.5 Ų | 35.5 | 16% | 0.159 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -76.9 | -40.3 | 179.2 | -56.8 | 153.6 | 0 | 0 | 0 | 110.8 | C345 T349 V364 A402 Y403 P408 | C345-I406 HydrophobicContact CB-CD1 4.27Å; T349-I406 HydrophobicContact CG2-CG1 4.05Å; V364-I406 HydrophobicContact CG1-CD1 3.98Å; A402-I406 VanDerWaalsContact O-CD1 3.3Å; A402-I406 WeakPolarHBondContact O-CD1 3.36Å; A402-I406 VanDerWaalsContact O-CG1 3.24Å; A402-I406 WeakPolarHBondContact O-CG1 3.25Å; A402-I406 PolarHBondContact O-N 3.17Å; Y403-I406 PolarHBondContact O-N 3.04Å; I406-P408 VanDerWaalsContact C-CD 3.49Å |
| 407 | T | 88.7 | Confident | 90.2 | Very high | 37.5 Ų | 37.5 | 35.5 Ų | 35.5 | 23% | 0.23 | 18% | 0.175 | C | C | . | . | trans | -131.4 | 60.3 | -172.4 | 62 | 0 | 0 | 0 | 0 | 113.4 | Y368 Y403 F404 H409 N410 | Y368-T407 HydrophobicContact CE2-CG2 4.15Å; Y368-T407 PolarHBondContact OH-OG1 2.99Å; Y403-T407 PolarHBondContact O-N 3.18Å; Y403-T407 PolarHBondContact O-OG1 3.32Å; F404-T407 CarbonylContact O-C 3.38Å; T407-H409 PolarHBondContact O-N 3.12Å; T407-N410 WeakPolarHBondContact O-CB 3.34Å; T407-N410 PolarHBondContact O-N 3.08Å | ||
| 408 | P | 84.8 | Confident | 89.9 | Confident | 20.5 Ų | 20.5 | 35.7 Ų | 35.7 | 13% | 0.133 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -20.6 | -173 | 18.7 | -31.3 | 0 | 0 | 0 | 115.7 | F404 I406 P447 | F404-P408 HydrophobicContact CD2-CB 4.46Å; F404-P408 HydrophobicContact CE2-CB 4.02Å; F404-P408 HydrophobicContact CZ-CB 4.41Å; F404-P408 VanDerWaalsContact O-CA 3.25Å; F404-P408 WeakPolarHBondContact O-CA 3.39Å; F404-P408 WeakPolarHBondContact O-CB 3.24Å; F404-P408 WeakPolarHBondContact O-CD 3.35Å; F404-P408 VanDerWaalsContact O-N 3.11Å; I406-P408 VanDerWaalsContact C-CD 3.49Å; P408-P447 HydrophobicContact CB-CB 3.83Å; P408-P447 HydrophobicContact CB-CG 3.94Å; P408-P447 HydrophobicContact CG-CB 4.32Å; P408-P447 HydrophobicContact CG-CG 4.31Å |
| 409 | H | 82.8 | Confident | 89.5 | Confident | 171.5 Ų | 171.5 | 38.3 Ų | 38.3 | 79% | 0.794 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -16 | 176.1 | -50.8 | -59.5 | 0 | 0 | 0 | 113.6 | T407 K411 | T407-H409 PolarHBondContact O-N 3.12Å; H409-K411 PolarHBondContact O-N 3.35Å; H409-K411 VanDerWaalsContact O-N 3.15Å |
| 410 | N | 83.6 | Confident | 88.8 | Confident | 55 Ų | 55 | 40.5 Ų | 40.5 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | trans | -81.6 | 95.4 | -179.4 | -171.7 | -9.4 | 0 | 0 | 0 | 110.9 | Y368 Y403 T407 N412 | Y368-N410 PolarHBondContact OH-ND2 2.98Å; Y403-N410 HydrophobicContact CE1-CB 4.4Å; Y403-N410 PolarHBondContact OH-ND2 3.41Å; Y403-N410 PolarHBondContact OH-OD1 3.08Å; T407-N410 WeakPolarHBondContact O-CB 3.34Å; T407-N410 PolarHBondContact O-N 3.08Å; N410-N412 VanDerWaalsContact C-N 3.27Å; N410-N412 PolarHBondContact O-N 2.93Å; N410-N412 WeakPolarHBondContact OD1-CB 3.46Å; N410-N412 PolarHBondContact OD1-N 3.38Å; N410-N412 PolarHBondContact OD1-ND2 3.03Å | ||
| 411 | K | 79.9 | Confident | 88.2 | Confident | 76 Ų | 76 | 46.1 Ų | 46.1 | 33% | 0.33 | 24% | 0.236 | S | C | . | . | trans | -84.9 | 13.2 | -176.9 | -57.9 | -171.8 | -179.3 | -172.8 | 0 | 114 | H409 L414 K415 S454 | H409-K411 PolarHBondContact O-N 3.35Å; H409-K411 VanDerWaalsContact O-N 3.15Å; K411-L414 PolarHBondContact O-N 3.1Å; K411-K415 VanDerWaalsContact O-CG 3.31Å; K411-K415 WeakPolarHBondContact O-CG 3.45Å; K411-K415 PolarHBondContact O-N 3.35Å; K411-S454 PolarHBondContact NZ-OG 3.14Å | ||
| 412 | N | 83.1 | Confident | 87.9 | Confident | 76 Ų | 76 | 46.5 Ų | 46.5 | 41% | 0.406 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.2 | -51.1 | -174.5 | -73.6 | -15.9 | 0 | 0 | 0 | 112.8 | N410 L414 K415 V416 | N410-N412 VanDerWaalsContact C-N 3.27Å; N410-N412 PolarHBondContact O-N 2.93Å; N410-N412 WeakPolarHBondContact OD1-CB 3.46Å; N410-N412 PolarHBondContact OD1-N 3.38Å; N410-N412 PolarHBondContact OD1-ND2 3.03Å; N412-L414 VanDerWaalsContact C-N 3.29Å; N412-L414 PolarHBondContact O-N 2.93Å; N412-K415 WeakPolarHBondContact O-CB 3.47Å; N412-K415 PolarHBondContact O-N 3.47Å; N412-K415 VanDerWaalsContact O-N 3.14Å; N412-K415 PolarHBondContact OD1-NZ 3.15Å; N412-V416 PolarHBondContact O-N 3.36Å |
| 413 | L | 85.9 | Confident | 87.5 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.4 | -44.2 | 173.7 | 178 | 54.8 | 0 | 0 | 0 | 112 | F376 F400 Y403 K415 V416 C417 | F376-L413 HydrophobicContact CB-CD1 3.65Å; F376-L413 HydrophobicContact CD1-CD1 3.39Å; F376-L413 HydrophobicContact CD2-CD1 3.57Å; F376-L413 HydrophobicContact CE1-CD1 3.83Å; F376-L413 HydrophobicContact CE2-CD1 4.03Å; F376-L413 HydrophobicContact CG-CD1 3.22Å; F376-L413 HydrophobicContact CZ-CD1 4.12Å; F400-L413 HydrophobicContact CB-CD2 4.28Å; F400-L413 HydrophobicContact CD2-CD1 4.43Å; F400-L413 HydrophobicContact CD2-CD2 3.55Å; F400-L413 HydrophobicContact CD2-CG 3.73Å; F400-L413 HydrophobicContact CE2-CD2 4.19Å; F400-L413 HydrophobicContact CE2-CG 4.01Å; F400-L413 HydrophobicContact CG-CD2 4.18Å; Y403-L413 HydrophobicContact CD1-CB 4.06Å; Y403-L413 HydrophobicContact CD1-CD2 3.79Å; Y403-L413 HydrophobicContact CD2-CB 4.49Å; Y403-L413 HydrophobicContact CD2-CD2 3.88Å; Y403-L413 HydrophobicContact CE1-CB 3.55Å; Y403-L413 HydrophobicContact CE1-CD2 4.16Å; Y403-L413 HydrophobicContact CE1-CG 4.48Å; Y403-L413 HydrophobicContact CE2-CB 4.05Å; Y403-L413 HydrophobicContact CE2-CD2 4.21Å; Y403-L413 HydrophobicContact CG-CD2 3.66Å; Y403-L413 PolarHBondContact OH-N 2.81Å; L413-K415 VanDerWaalsContact C-N 3.32Å; L413-K415 PolarHBondContact O-N 3.03Å; L413-V416 PolarHBondContact O-N 3.15Å; L413-V416 VanDerWaalsContact O-N 3.12Å; L413-C417 PolarHBondContact O-N 3.05Å; L413-C417 VanDerWaalsContact O-N 3.1Å; L413-C417 PolarHBondContact O-SG 3.02Å; L413-C417 VanDerWaalsContact O-SG 3.42Å |
| 414 | L | 86.3 | Confident | 87.2 | Confident | 13.5 Ų | 13.5 | 50.6 Ų | 50.6 | 7% | 0.071 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.1 | -35.9 | 177.6 | -179.5 | 59.2 | 0 | 0 | 0 | 113.4 | K411 N412 L418 L430 F452 K455 | K411-L414 PolarHBondContact O-N 3.1Å; N412-L414 VanDerWaalsContact C-N 3.29Å; N412-L414 PolarHBondContact O-N 2.93Å; L414-L418 HydrophobicContact CD1-CD1 3.63Å; L414-L418 HydrophobicContact CD1-CG 3.86Å; L414-L418 HydrophobicContact CD2-CD1 4.48Å; L414-L418 HydrophobicContact CG-CD1 3.75Å; L414-L418 HydrophobicContact CG-CG 4.39Å; L414-L418 WeakPolarHBondContact O-CB 3.45Å; L414-L418 VanDerWaalsContact O-CG 3.31Å; L414-L418 WeakPolarHBondContact O-CG 3.43Å; L414-L418 PolarHBondContact O-N 3.23Å; L414-L418 VanDerWaalsContact O-N 3.09Å; L414-L430 HydrophobicContact CD1-CD1 3.78Å; L414-F452 HydrophobicContact CD1-CD1 3.81Å; L414-F452 HydrophobicContact CD1-CE1 3.75Å; L414-F452 HydrophobicContact CD2-CD1 3.57Å; L414-F452 HydrophobicContact CD2-CE1 3.67Å; L414-F452 HydrophobicContact CG-CD1 4.33Å; L414-F452 HydrophobicContact CG-CE1 4.23Å; L414-K455 HydrophobicContact CD2-CG 4.13Å |
| 415 | K | 87.4 | Confident | 87 | Confident | 121 Ų | 121 | 51 Ų | 51 | 53% | 0.526 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 174.5 | -72.1 | 164.5 | -173 | 166.9 | 0 | 111.6 | K411 N412 L413 L418 Q419 | K411-K415 VanDerWaalsContact O-CG 3.31Å; K411-K415 WeakPolarHBondContact O-CG 3.45Å; K411-K415 PolarHBondContact O-N 3.35Å; N412-K415 WeakPolarHBondContact O-CB 3.47Å; N412-K415 PolarHBondContact O-N 3.47Å; N412-K415 VanDerWaalsContact O-N 3.14Å; N412-K415 PolarHBondContact OD1-NZ 3.15Å; L413-K415 VanDerWaalsContact C-N 3.32Å; L413-K415 PolarHBondContact O-N 3.03Å; K415-L418 PolarHBondContact O-N 3.45Å; K415-Q419 WeakPolarHBondContact O-CG 3.39Å; K415-Q419 PolarHBondContact O-N 2.99Å |
| 416 | V | 90.9 | Very high | 87 | Confident | 33 Ų | 33 | 50 Ų | 50 | 20% | 0.2 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.6 | -46.3 | 179.4 | 179.7 | 0 | 0 | 0 | 0 | 110.4 | N412 L413 L418 Q419 S422 Y426 | N412-V416 PolarHBondContact O-N 3.36Å; L413-V416 PolarHBondContact O-N 3.15Å; L413-V416 VanDerWaalsContact O-N 3.12Å; V416-L418 VanDerWaalsContact C-N 3.33Å; V416-L418 PolarHBondContact O-N 3.17Å; V416-Q419 PolarHBondContact O-N 2.98Å; V416-S422 WeakPolarHBondContact O-CB 3.34Å; V416-S422 PolarHBondContact O-OG 3.02Å; V416-Y426 HydrophobicContact CG1-CD2 4.26Å; V416-Y426 HydrophobicContact CG1-CE2 4.39Å |
| 417 | C | 92.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.6 | -23.4 | -178.1 | -57.6 | 0 | 0 | 0 | 0 | 114.3 | L413 H427 L430 | L413-C417 PolarHBondContact O-N 3.05Å; L413-C417 VanDerWaalsContact O-N 3.1Å; L413-C417 PolarHBondContact O-SG 3.02Å; L413-C417 VanDerWaalsContact O-SG 3.42Å; C417-H427 PolarHBondContact O-CD2 3.11Å; C417-H427 VanDerWaalsContact O-CD2 3.32Å; C417-L430 HydrophobicContact CB-CB 3.95Å; C417-L430 HydrophobicContact CB-CD1 4.41Å; C417-L430 HydrophobicContact CB-CD2 4.04Å; C417-L430 HydrophobicContact CB-CG 4.36Å |
| 418 | L | 90.2 | Very high | 87.3 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 8% | 0.084 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -85.8 | -11.2 | 178.2 | -77.2 | 172 | 0 | 0 | 0 | 114.7 | L414 K415 V416 T420 L430 K455 E458 I459 | L414-L418 HydrophobicContact CD1-CD1 3.63Å; L414-L418 HydrophobicContact CD1-CG 3.86Å; L414-L418 HydrophobicContact CD2-CD1 4.48Å; L414-L418 HydrophobicContact CG-CD1 3.75Å; L414-L418 HydrophobicContact CG-CG 4.39Å; L414-L418 WeakPolarHBondContact O-CB 3.45Å; L414-L418 VanDerWaalsContact O-CG 3.31Å; L414-L418 WeakPolarHBondContact O-CG 3.43Å; L414-L418 PolarHBondContact O-N 3.23Å; L414-L418 VanDerWaalsContact O-N 3.09Å; K415-L418 PolarHBondContact O-N 3.45Å; V416-L418 VanDerWaalsContact C-N 3.33Å; V416-L418 PolarHBondContact O-N 3.17Å; L418-T420 PolarHBondContact O-N 3.09Å; L418-L430 HydrophobicContact CD2-CD2 3.61Å; L418-L430 HydrophobicContact CG-CD2 3.99Å; L418-K455 HydrophobicContact CD1-CB 3.76Å; L418-K455 HydrophobicContact CD1-CD 3.84Å; L418-K455 HydrophobicContact CD1-CG 3.73Å; L418-E458 HydrophobicContact CB-CB 4.37Å; L418-E458 HydrophobicContact CD1-CB 4.2Å; L418-E458 HydrophobicContact CD2-CB 3.94Å; L418-E458 HydrophobicContact CG-CB 4.42Å; L418-I459 HydrophobicContact CD2-CG1 3.9Å |
| 419 | Q | 87.4 | Confident | 87.8 | Confident | 99.5 Ų | 99.5 | 47.3 Ų | 47.3 | 47% | 0.465 | 25% | 0.253 | S | S | . | . | trans | -70.2 | 124.7 | 176.3 | -77.8 | 170.7 | -12.8 | 0 | 0 | 110.1 | K415 V416 T421 S422 H427 | K415-Q419 WeakPolarHBondContact O-CG 3.39Å; K415-Q419 PolarHBondContact O-N 2.99Å; V416-Q419 PolarHBondContact O-N 2.98Å; Q419-T421 PolarHBondContact O-N 3.14Å; Q419-S422 VanDerWaalsContact O-CB 3.25Å; Q419-S422 WeakPolarHBondContact O-CB 3.32Å; Q419-S422 PolarHBondContact O-N 3.33Å; Q419-S422 PolarHBondContact O-OG 3.03Å; Q419-H427 PolarHBondContact O-NE2 3.28Å | ||
| 420 | T | 81.2 | Confident | 88.4 | Confident | 46 Ų | 46 | 39.2 Ų | 39.2 | 28% | 0.282 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -13.7 | -178.9 | 61.7 | 0 | 0 | 0 | 0 | 113.6 | L418 E465 R469 | L418-T420 PolarHBondContact O-N 3.09Å; T420-E465 VanDerWaalsContact CB-OE2 3.22Å; T420-E465 WeakPolarHBondContact CB-OE2 3.44Å; T420-E465 WeakPolarHBondContact CG2-OE2 3.27Å; T420-E465 PolarHBondContact OG1-OE2 3.21Å; T420-R469 PolarHBondContact O-NH2 3.18Å |
| 421 | T | 84.9 | Confident | 89 | Confident | 124.5 Ų | 124.5 | 36.6 Ų | 36.6 | 76% | 0.764 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -13 | 168.5 | 50.3 | 0 | 0 | 0 | 0 | 114 | Q419 | Q419-T421 PolarHBondContact O-N 3.14Š|
| 422 | S | 88.4 | Confident | 89.8 | Confident | 9.5 Ų | 9.5 | 34.2 Ų | 34.2 | 7% | 0.066 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -68.5 | 155.6 | -178.7 | -74 | 0 | 0 | 0 | 0 | 112.9 | V416 Q419 A424 H427 | V416-S422 WeakPolarHBondContact O-CB 3.34Å; V416-S422 PolarHBondContact O-OG 3.02Å; Q419-S422 VanDerWaalsContact O-CB 3.25Å; Q419-S422 WeakPolarHBondContact O-CB 3.32Å; Q419-S422 PolarHBondContact O-N 3.33Å; Q419-S422 PolarHBondContact O-OG 3.03Å; S422-A424 PolarHBondContact O-N 3.35Å; S422-H427 PolarHBondContact O-CE1 2.98Å |
| 423 | P | 87.5 | Confident | 90.4 | Very high | 34.5 Ų | 34.5 | 30.6 Ų | 30.6 | 22% | 0.224 | 18% | 0.175 | C | C | . | . | trans | -51.9 | 134.4 | 172.2 | -28.4 | 35.7 | 0 | 0 | 0 | 112.4 | P381 I425 Y426 | P381-P423 HydrophobicContact CB-CB 4.33Å; P381-P423 HydrophobicContact CB-CG 4.14Å; P381-P423 HydrophobicContact CG-CB 4.37Å; P381-P423 HydrophobicContact CG-CG 4.05Å; P423-I425 HydrophobicContact CB-CG2 4.16Å; P423-I425 PolarHBondContact O-N 3.25Å; P423-Y426 HydrophobicContact CB-CD2 4.34Å; P423-Y426 HydrophobicContact CB-CE2 4.47Å; P423-Y426 HydrophobicContact CG-CD2 4.22Å; P423-Y426 HydrophobicContact CG-CE2 4.07Å; P423-Y426 WeakPolarHBondContact O-CB 3.37Å; P423-Y426 PolarHBondContact O-N 3.19Å | ||
| 424 | A | 87.5 | Confident | 90.9 | Very high | 60.5 Ų | 60.5 | 30.5 Ų | 30.5 | 50% | 0.5 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -56.7 | -29.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S422 Y426 H427 T428 | S422-A424 PolarHBondContact O-N 3.35Å; A424-Y426 PolarHBondContact O-N 3.01Å; A424-H427 WeakPolarHBondContact O-CB 3.28Å; A424-H427 PolarHBondContact O-N 3.05Å; A424-T428 PolarHBondContact O-N 3.27Å; A424-T428 PolarHBondContact O-OG1 3.29Å |
| 425 | I | 89.6 | Confident | 91.4 | Very high | 22.5 Ų | 22.5 | 34.4 Ų | 34.4 | 12% | 0.115 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.7 | -33 | 173.3 | -169.8 | 171.7 | 0 | 0 | 0 | 112.4 | L389 T392 L396 P423 T428 V429 | L389-I425 HydrophobicContact CD1-CD1 3.94Å; T392-I425 HydrophobicContact CG2-CD1 3.74Å; L396-I425 HydrophobicContact CD1-CD1 3.68Å; L396-I425 HydrophobicContact CD1-CG1 3.97Å; P423-I425 HydrophobicContact CB-CG2 4.16Å; P423-I425 PolarHBondContact O-N 3.25Å; I425-T428 PolarHBondContact O-N 3.22Å; I425-V429 HydrophobicContact CG1-CG2 4.26Å; I425-V429 VanDerWaalsContact O-CB 3.31Å; I425-V429 WeakPolarHBondContact O-CB 3.43Å; I425-V429 WeakPolarHBondContact O-CG2 3.3Å; I425-V429 PolarHBondContact O-N 2.94Å |
| 426 | Y | 93.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -73.5 | -27.9 | 175.6 | -60.9 | -20.5 | 0 | 0 | 0 | 112.6 | L375 F376 N377 P381 L396 V416 P423 A424 L430 | L375-Y426 PolarHBondContact O-OH 3.04Å; F376-Y426 VanDerWaalsContact CA-OH 3.31Å; F376-Y426 WeakPolarHBondContact CA-OH 3.46Å; F376-Y426 AromaticContact CD1-CD1 3.77Å; F376-Y426 HydrophobicContact CD1-CD1 3.77Å; F376-Y426 AromaticContact CD1-CE1 3.76Å; F376-Y426 HydrophobicContact CD1-CE1 3.76Å; F376-Y426 HydrophobicContact CD1-CG 4.26Å; F376-Y426 AromaticContact CE1-CD1 3.91Å; F376-Y426 HydrophobicContact CE1-CD1 3.91Å; F376-Y426 HydrophobicContact CE1-CE1 4.17Å; F376-Y426 HydrophobicContact CG-CE1 4.46Å; N377-Y426 PolarHBondContact N-OH 2.99Å; N377-Y426 PolarHBondContact O-OH 3.12Å; N377-Y426 VanDerWaalsContact O-OH 3.13Å; P381-Y426 WeakPolarHBondContact CA-OH 3.16Å; L396-Y426 HydrophobicContact CD1-CD1 4.5Å; L396-Y426 HydrophobicContact CD1-CE1 4.26Å; V416-Y426 HydrophobicContact CG1-CD2 4.26Å; V416-Y426 HydrophobicContact CG1-CE2 4.39Å; P423-Y426 HydrophobicContact CB-CD2 4.34Å; P423-Y426 HydrophobicContact CB-CE2 4.47Å; P423-Y426 HydrophobicContact CG-CD2 4.22Å; P423-Y426 HydrophobicContact CG-CE2 4.07Å; P423-Y426 WeakPolarHBondContact O-CB 3.37Å; P423-Y426 PolarHBondContact O-N 3.19Å; A424-Y426 PolarHBondContact O-N 3.01Å; Y426-L430 VanDerWaalsContact O-CB 3.29Å; Y426-L430 WeakPolarHBondContact O-CB 3.43Å; Y426-L430 PolarHBondContact O-N 3.38Å; Y426-L430 VanDerWaalsContact O-N 3.09Å |
| 427 | H | 93.4 | Very high | 92.1 | Very high | 10.5 Ų | 10.5 | 31.2 Ų | 31.2 | 5% | 0.049 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.6 | -45.4 | 169.6 | -55.2 | 138.3 | 0 | 0 | 0 | 110.4 | C417 Q419 S422 A424 L430 V431 M462 L506 | C417-H427 PolarHBondContact O-CD2 3.11Å; C417-H427 VanDerWaalsContact O-CD2 3.32Å; Q419-H427 PolarHBondContact O-NE2 3.28Å; S422-H427 PolarHBondContact O-CE1 2.98Å; A424-H427 WeakPolarHBondContact O-CB 3.28Å; A424-H427 PolarHBondContact O-N 3.05Å; H427-L430 PolarHBondContact O-N 3.28Å; H427-V431 VanDerWaalsContact O-CG2 3.27Å; H427-V431 WeakPolarHBondContact O-CG2 3.34Å; H427-V431 PolarHBondContact O-N 3.21Å; H427-V431 VanDerWaalsContact O-N 3.1Å; H427-M462 HydrophobicContact CB-SD 3.76Å; H427-M462 PolarHBondContact CD2-SD 3.01Å; H427-L506 HydrophobicContact CB-CD1 3.96Å; H427-L506 HydrophobicContact CB-CD2 3.79Å |
| 428 | T | 93.5 | Very high | 92.3 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 13% | 0.129 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.5 | -48.9 | 176.7 | -40.2 | 0 | 0 | 0 | 0 | 111.4 | E393 A424 I425 L430 V431 S432 | E393-T428 WeakPolarHBondContact OE1-CG2 3.36Å; E393-T428 WeakPolarHBondContact OE2-CG2 3.47Å; A424-T428 PolarHBondContact O-N 3.27Å; A424-T428 PolarHBondContact O-OG1 3.29Å; I425-T428 PolarHBondContact O-N 3.22Å; T428-L430 VanDerWaalsContact C-N 3.32Å; T428-L430 PolarHBondContact O-N 3Å; T428-V431 PolarHBondContact O-N 2.86Å; T428-V431 VanDerWaalsContact O-N 3.09Å; T428-S432 WeakPolarHBondContact O-CB 3.4Å; T428-S432 PolarHBondContact O-N 3.4Å; T428-S432 PolarHBondContact O-OG 2.98Å |
| 429 | V | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.2 | -39.9 | 177.6 | 165.6 | 0 | 0 | 0 | 0 | 112.6 | F376 E393 L396 F400 I425 G433 | F376-V429 HydrophobicContact CE1-CG1 3.94Å; F376-V429 HydrophobicContact CZ-CG1 3.85Å; E393-V429 HydrophobicContact CG-CG2 3.9Å; L396-V429 HydrophobicContact CB-CB 4.38Å; L396-V429 HydrophobicContact CB-CG1 3.96Å; L396-V429 HydrophobicContact CB-CG2 3.49Å; L396-V429 VanDerWaalsContact CB-CG2 3.49Å; L396-V429 HydrophobicContact CD1-CG2 4.03Å; L396-V429 HydrophobicContact CG-CG2 4.42Å; F400-V429 HydrophobicContact CB-CG1 4.07Å; F400-V429 HydrophobicContact CG-CG1 4.43Å; I425-V429 HydrophobicContact CG1-CG2 4.26Å; I425-V429 VanDerWaalsContact O-CB 3.31Å; I425-V429 WeakPolarHBondContact O-CB 3.43Å; I425-V429 WeakPolarHBondContact O-CG2 3.3Å; I425-V429 PolarHBondContact O-N 2.94Å; V429-G433 WeakPolarHBondContact O-CA 3.43Å; V429-G433 PolarHBondContact O-N 2.96Å |
| 430 | L | 95.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.4 | -45.2 | 174.5 | 174.3 | 61.9 | 0 | 0 | 0 | 111.4 | F400 L414 C417 L418 Y426 H427 T428 G433 L434 M462 | F400-L430 HydrophobicContact CE1-CD1 4.3Å; F400-L430 HydrophobicContact CE2-CD1 3.93Å; F400-L430 HydrophobicContact CZ-CD1 3.46Å; F400-L430 VanDerWaalsContact CZ-CD1 3.46Å; L414-L430 HydrophobicContact CD1-CD1 3.78Å; C417-L430 HydrophobicContact CB-CB 3.95Å; C417-L430 HydrophobicContact CB-CD1 4.41Å; C417-L430 HydrophobicContact CB-CD2 4.04Å; C417-L430 HydrophobicContact CB-CG 4.36Å; L418-L430 HydrophobicContact CD2-CD2 3.61Å; L418-L430 HydrophobicContact CG-CD2 3.99Å; Y426-L430 VanDerWaalsContact O-CB 3.29Å; Y426-L430 WeakPolarHBondContact O-CB 3.43Å; Y426-L430 PolarHBondContact O-N 3.38Å; Y426-L430 VanDerWaalsContact O-N 3.09Å; H427-L430 PolarHBondContact O-N 3.28Å; T428-L430 VanDerWaalsContact C-N 3.32Å; T428-L430 PolarHBondContact O-N 3Å; L430-G433 PolarHBondContact O-N 3.36Å; L430-L434 HydrophobicContact CD1-CD1 3.81Å; L430-L434 HydrophobicContact CD1-CG 4.06Å; L430-L434 HydrophobicContact CG-CD1 4.05Å; L430-L434 WeakPolarHBondContact O-CB 3.39Å; L430-L434 WeakPolarHBondContact O-CG 3.48Å; L430-L434 PolarHBondContact O-N 3.37Å; L430-M462 HydrophobicContact CD2-CE 4.22Å; L430-M462 HydrophobicContact CD2-SD 4.36Å |
| 431 | V | 96.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.9 | -48.7 | -178.7 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | H427 T428 G433 L434 Y435 M462 L506 N509 M510 L513 | H427-V431 VanDerWaalsContact O-CG2 3.27Å; H427-V431 WeakPolarHBondContact O-CG2 3.34Å; H427-V431 PolarHBondContact O-N 3.21Å; H427-V431 VanDerWaalsContact O-N 3.1Å; T428-V431 PolarHBondContact O-N 2.86Å; T428-V431 VanDerWaalsContact O-N 3.09Å; V431-G433 VanDerWaalsContact C-N 3.31Å; V431-G433 PolarHBondContact O-N 2.9Å; V431-L434 PolarHBondContact O-N 3.03Å; V431-Y435 VanDerWaalsContact O-CB 3.26Å; V431-Y435 WeakPolarHBondContact O-CB 3.36Å; V431-Y435 PolarHBondContact O-N 3.46Å; V431-M462 HydrophobicContact CG2-CE 3.65Å; V431-L506 HydrophobicContact CG2-CD1 4.14Å; V431-N509 HydrophobicContact CG1-CB 3.69Å; V431-N509 VanDerWaalsContact CG1-O 3.25Å; V431-N509 WeakPolarHBondContact CG1-O 3.48Å; V431-M510 HydrophobicContact CG1-CG 4.19Å; V431-M510 HydrophobicContact CG2-CG 3.64Å; V431-M510 HydrophobicContact CG2-SD 4.47Å; V431-L513 HydrophobicContact CG1-CB 4.22Å; V431-L513 HydrophobicContact CG1-CD2 4.15Å; V431-L513 HydrophobicContact CG2-CD2 4.46Å |
| 432 | S | 96 | Very high | 93.6 | Very high | 25 Ų | 25 | 35.8 Ų | 35.8 | 18% | 0.175 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.7 | -39.5 | 174.7 | -62.3 | 0 | 0 | 0 | 0 | 111.7 | E393 T428 R436 | E393-S432 PolarHBondContact OE1-OG 2.93Å; T428-S432 WeakPolarHBondContact O-CB 3.4Å; T428-S432 PolarHBondContact O-N 3.4Å; T428-S432 PolarHBondContact O-OG 2.98Å; S432-R436 PolarHBondContact O-N 3.09Å |
| 433 | G | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.5 | -49.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V429 L430 V431 Y435 R436 I437 | V429-G433 WeakPolarHBondContact O-CA 3.43Å; V429-G433 PolarHBondContact O-N 2.96Å; L430-G433 PolarHBondContact O-N 3.36Å; V431-G433 VanDerWaalsContact C-N 3.31Å; V431-G433 PolarHBondContact O-N 2.9Å; G433-Y435 VanDerWaalsContact C-N 3.35Å; G433-R436 PolarHBondContact O-N 3.35Å; G433-I437 WeakPolarHBondContact O-CD1 3.25Å; G433-I437 VanDerWaalsContact O-CG1 3.3Å; G433-I437 WeakPolarHBondContact O-CG1 3.34Å; G433-I437 PolarHBondContact O-N 3.11Å |
| 434 | L | 96.5 | Very high | 94 | Very high | 1.5 Ų | 1.5 | 39.2 Ų | 39.2 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | 175.4 | -71.7 | 172.2 | 0 | 0 | 0 | 111.8 | L430 V431 R436 I437 I438 V449 F452 I459 L513 | L430-L434 HydrophobicContact CD1-CD1 3.81Å; L430-L434 HydrophobicContact CD1-CG 4.06Å; L430-L434 HydrophobicContact CG-CD1 4.05Å; L430-L434 WeakPolarHBondContact O-CB 3.39Å; L430-L434 WeakPolarHBondContact O-CG 3.48Å; L430-L434 PolarHBondContact O-N 3.37Å; V431-L434 PolarHBondContact O-N 3.03Å; L434-R436 VanDerWaalsContact C-N 3.34Å; L434-R436 PolarHBondContact O-N 3.02Å; L434-I437 PolarHBondContact O-N 2.92Å; L434-I437 VanDerWaalsContact O-N 3.16Å; L434-I438 WeakPolarHBondContact O-CD1 3.39Å; L434-I438 WeakPolarHBondContact O-CG1 3.33Å; L434-I438 PolarHBondContact O-N 3.14Å; L434-I438 VanDerWaalsContact O-N 3.08Å; L434-V449 HydrophobicContact CD2-CG2 4.02Å; L434-F452 HydrophobicContact CD2-CB 4.19Å; L434-F452 HydrophobicContact CD2-CD1 3.7Å; L434-F452 HydrophobicContact CD2-CD2 3.45Å; L434-F452 VanDerWaalsContact CD2-CD2 3.45Å; L434-F452 HydrophobicContact CD2-CE1 3.81Å; L434-F452 HydrophobicContact CD2-CE2 3.57Å; L434-F452 HydrophobicContact CD2-CG 3.51Å; L434-F452 VanDerWaalsContact CD2-CG 3.49Å; L434-F452 HydrophobicContact CD2-CZ 3.75Å; L434-I459 HydrophobicContact CD1-CD1 4.37Å; L434-L513 HydrophobicContact CB-CD1 3.75Å; L434-L513 HydrophobicContact CB-CD2 4.05Å; L434-L513 HydrophobicContact CD1-CD2 4.02Å |
| 435 | Y | 97.6 | Very high | 94.3 | Very high | 95 Ų | 95 | 38.8 Ų | 38.8 | 37% | 0.373 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.8 | -44 | 177.5 | -174.4 | -93.1 | 0 | 0 | 0 | 111.2 | V431 G433 I438 T439 R512 A516 | V431-Y435 VanDerWaalsContact O-CB 3.26Å; V431-Y435 WeakPolarHBondContact O-CB 3.36Å; V431-Y435 PolarHBondContact O-N 3.46Å; G433-Y435 VanDerWaalsContact C-N 3.35Å; Y435-I438 PolarHBondContact O-N 3.07Å; Y435-T439 HydrophobicContact CD1-CG2 4.29Å; Y435-T439 HydrophobicContact CD2-CG2 4.43Å; Y435-T439 HydrophobicContact CE1-CG2 3.92Å; Y435-T439 HydrophobicContact CE2-CG2 4.12Å; Y435-T439 WeakPolarHBondContact O-CB 3.45Å; Y435-T439 WeakPolarHBondContact O-CG2 3.43Å; Y435-T439 PolarHBondContact O-N 3.36Å; Y435-T439 PolarHBondContact O-OG1 3.27Å; Y435-R512 HydrophobicContact CD2-CB 4.27Å; Y435-R512 HydrophobicContact CE2-CB 3.93Å; Y435-A516 HydrophobicContact CD2-CB 4.1Å; Y435-A516 HydrophobicContact CE2-CB 3.93Å |
| 436 | R | 96.3 | Very high | 94.6 | Very high | 65 Ų | 65 | 38.1 Ų | 38.1 | 25% | 0.245 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.3 | -35.3 | 174.8 | -174.9 | 166.2 | 60.8 | 170.7 | -5.1 | 113.2 | T397 E398 S432 G433 L434 I438 T439 Q440 | T397-R436 VanDerWaalsContact C-NH2 3.25Å; T397-R436 PolarHBondContact O-NH2 3.24Å; E398-R436 VanDerWaalsContact CA-NH2 3.27Å; S432-R436 PolarHBondContact O-N 3.09Å; G433-R436 PolarHBondContact O-N 3.35Å; L434-R436 VanDerWaalsContact C-N 3.34Å; L434-R436 PolarHBondContact O-N 3.02Å; R436-I438 PolarHBondContact O-N 3.17Å; R436-T439 PolarHBondContact O-N 3.25Å; R436-Q440 HydrophobicContact CG-CB 4.19Å; R436-Q440 WeakPolarHBondContact O-CB 3.38Å; R436-Q440 PolarHBondContact O-N 3.42Å |
| 437 | I | 96 | Very high | 94.6 | Very high | 21.5 Ų | 21.5 | 39.3 Ų | 39.3 | 11% | 0.11 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -31.6 | 174.7 | -71 | 159.9 | 0 | 0 | 0 | 111.6 | F400 V401 F404 G433 L434 V449 F452 | F400-I437 HydrophobicContact CE1-CD1 4.45Å; V401-I437 HydrophobicContact CG1-CG1 4.07Å; V401-I437 HydrophobicContact CG2-CD1 4.18Å; V401-I437 HydrophobicContact CG2-CG1 4.12Å; F404-I437 HydrophobicContact CD1-CD1 3.53Å; F404-I437 HydrophobicContact CD1-CG1 4.24Å; F404-I437 HydrophobicContact CE1-CD1 4.08Å; F404-I437 HydrophobicContact CE1-CG2 4.19Å; F404-I437 HydrophobicContact CG-CD1 4.23Å; G433-I437 WeakPolarHBondContact O-CD1 3.25Å; G433-I437 VanDerWaalsContact O-CG1 3.3Å; G433-I437 WeakPolarHBondContact O-CG1 3.34Å; G433-I437 PolarHBondContact O-N 3.11Å; L434-I437 PolarHBondContact O-N 2.92Å; L434-I437 VanDerWaalsContact O-N 3.16Å; I437-V449 HydrophobicContact CG2-CB 4.27Å; I437-V449 HydrophobicContact CG2-CG2 4.49Å; I437-F452 HydrophobicContact CD1-CE2 4.27Å; I437-F452 HydrophobicContact CD1-CZ 4.45Å |
| 438 | I | 96.2 | Very high | 94.5 | Very high | 42.5 Ų | 42.5 | 41.5 Ų | 41.5 | 22% | 0.218 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -82.3 | -40 | 177.1 | -68.4 | 155.9 | 0 | 0 | 0 | 112.4 | L434 Y435 R436 V449 L513 A516 N517 L520 | L434-I438 WeakPolarHBondContact O-CD1 3.39Å; L434-I438 WeakPolarHBondContact O-CG1 3.33Å; L434-I438 PolarHBondContact O-N 3.14Å; L434-I438 VanDerWaalsContact O-N 3.08Å; Y435-I438 PolarHBondContact O-N 3.07Å; R436-I438 PolarHBondContact O-N 3.17Å; I438-V449 HydrophobicContact CD1-CG2 4.12Å; I438-V449 HydrophobicContact CG1-CB 4.04Å; I438-V449 HydrophobicContact CG1-CG1 4.11Å; I438-V449 HydrophobicContact CG1-CG2 4.02Å; I438-L513 HydrophobicContact CD1-CD1 3.58Å; I438-A516 HydrophobicContact CG2-CB 3.89Å; I438-N517 HydrophobicContact CD1-CB 3.53Å; I438-N517 HydrophobicContact CG1-CB 4.14Å; I438-N517 HydrophobicContact CG2-CB 4.28Å; I438-L520 HydrophobicContact CD1-CD1 3.72Å |
| 439 | T | 95.9 | Very high | 94.5 | Very high | 72.5 Ų | 72.5 | 41 Ų | 41 | 45% | 0.445 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -98.4 | -17.8 | -167.1 | 55.3 | 0 | 0 | 0 | 0 | 115.2 | Y435 R436 A516 | Y435-T439 HydrophobicContact CD1-CG2 4.29Å; Y435-T439 HydrophobicContact CD2-CG2 4.43Å; Y435-T439 HydrophobicContact CE1-CG2 3.92Å; Y435-T439 HydrophobicContact CE2-CG2 4.12Å; Y435-T439 WeakPolarHBondContact O-CB 3.45Å; Y435-T439 WeakPolarHBondContact O-CG2 3.43Å; Y435-T439 PolarHBondContact O-N 3.36Å; Y435-T439 PolarHBondContact O-OG1 3.27Å; R436-T439 PolarHBondContact O-N 3.25Å; T439-A516 HydrophobicContact CG2-CB 4.27Å |
| 440 | Q | 93.1 | Very high | 94.4 | Very high | 48 Ų | 48 | 43.7 Ų | 43.7 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -76.7 | 144.2 | 174.6 | -168.6 | 178.3 | 5.8 | 0 | 0 | 111.1 | R436 R442 W446 | R436-Q440 HydrophobicContact CG-CB 4.19Å; R436-Q440 WeakPolarHBondContact O-CB 3.38Å; R436-Q440 PolarHBondContact O-N 3.42Å; Q440-R442 PolarHBondContact O-N 2.81Å; Q440-W446 HydrophobicContact CG-CZ3 4.46Å |
| 441 | S | 90.9 | Very high | 94.1 | Very high | 86.5 Ų | 86.5 | 45.6 Ų | 45.6 | 61% | 0.605 | 25% | 0.248 | S | C | * | . | P | Polyproline II helix | trans | -52.5 | 125.4 | 166.5 | 41.3 | 0 | 0 | 0 | 0 | 111.2 | W446 | S441-W446 VanDerWaalsContact O-CZ3 3.27Å; S441-W446 WeakPolarHBondContact O-CZ3 3.2Å |
| 442 | R | 91.3 | Very high | 93.8 | Very high | 133.5 Ų | 133.5 | 45.7 Ų | 45.7 | 50% | 0.504 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -93 | 124.7 | -172.6 | 172.9 | 178.7 | 175.9 | -172.3 | 6.7 | 111.8 | Q440 W446 D448 | Q440-R442 PolarHBondContact O-N 2.81Å; R442-W446 HydrophobicContact CG-CB 4.26Å; R442-W446 PolarHBondContact NE-O 3.24Å; R442-W446 PolarHBondContact NH2-O 3.23Å; R442-D448 IonicContact CZ-OD2 3.24Å; R442-D448 VanDerWaalsContact CZ-OD2 3.26Å; R442-D448 IonicContact NH1-OD2 3.38Å; R442-D448 PolarHBondContact NH1-OD2 3.21Å; R442-D448 IonicContact NH2-OD2 3.34Å; R442-D448 PolarHBondContact NH2-OD2 3.35Å; R442-D448 VanDerWaalsContact NH2-OD2 3.09Å |
| 443 | L | 93 | Very high | 93.6 | Very high | 26 Ų | 26 | 46.1 Ų | 46.1 | 14% | 0.136 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -70.2 | 143.7 | 162.3 | -53.6 | -174.3 | 0 | 0 | 0 | 109.9 | P235 Y350 W445 W446 | P235-L443 HydrophobicContact CB-CD1 4.14Å; P235-L443 HydrophobicContact CB-CD2 3.98Å; P235-L443 HydrophobicContact CG-CD2 3.75Å; Y350-L443 HydrophobicContact CD1-CD1 3.75Å; Y350-L443 HydrophobicContact CE1-CD1 4.2Å; Y350-L443 HydrophobicContact CG-CD1 4.46Å; L443-W445 HydrophobicContact CB-CD2 4.23Å; L443-W445 HydrophobicContact CB-CE3 4.36Å; L443-W445 HydrophobicContact CB-CH2 4.19Å; L443-W445 HydrophobicContact CB-CZ2 4.03Å; L443-W445 HydrophobicContact CB-CZ3 4.34Å; L443-W445 HydrophobicContact CD1-CH2 3.94Å; L443-W445 HydrophobicContact CD1-CZ2 3.46Å; L443-W445 VanDerWaalsContact CD1-CZ2 3.46Å; L443-W445 HydrophobicContact CG-CZ2 4.34Å; L443-W445 PolarHBondContact O-N 3.31Å; L443-W445 VanDerWaalsContact O-N 3.08Å; L443-W446 HydrophobicContact CB-CD2 3.89Å; L443-W446 HydrophobicContact CB-CE3 4.35Å; L443-W446 HydrophobicContact CB-CG 4.05Å; L443-W446 HydrophobicContact CB-CZ2 4.46Å; L443-W446 HydrophobicContact CD1-CD2 4.37Å; L443-W446 HydrophobicContact CD1-CH2 4.13Å; L443-W446 HydrophobicContact CD1-CZ2 3.46Å; L443-W446 VanDerWaalsContact CD1-CZ2 3.46Å; L443-W446 HydrophobicContact CG-CD2 3.98Å; L443-W446 HydrophobicContact CG-CE3 4.24Å; L443-W446 HydrophobicContact CG-CH2 3.93Å; L443-W446 HydrophobicContact CG-CZ2 3.68Å; L443-W446 HydrophobicContact CG-CZ3 4.2Å; L443-W446 WeakPolarHBondContact O-CB 3.21Å; L443-W446 PolarHBondContact O-N 2.88Å |
| 444 | A | 92.1 | Very high | 93.3 | Very high | 90 Ų | 90 | 49 Ų | 49 | 74% | 0.744 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -34.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 445 | W | 93.1 | Very high | 93 | Very high | 51.5 Ų | 51.5 | 51.7 Ų | 51.7 | 20% | 0.195 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -10 | 179.2 | 61.5 | 91.9 | 0 | 0 | 0 | 114.7 | T349 Y350 I351 N352 I353 L443 | T349-W445 PolarHBondContact O-NE1 3.3Å; T349-W445 VanDerWaalsContact O-NE1 3.09Å; Y350-W445 WeakPolarHBondContact O-CZ2 3.43Å; I351-W445 PolarHBondContact O-NE1 3Å; N352-W445 HydrophobicContact CB-CD2 4.29Å; N352-W445 HydrophobicContact CB-CE3 4.47Å; I353-W445 HydrophobicContact CG2-CB 4.05Å; L443-W445 HydrophobicContact CB-CD2 4.23Å; L443-W445 HydrophobicContact CB-CE3 4.36Å; L443-W445 HydrophobicContact CB-CH2 4.19Å; L443-W445 HydrophobicContact CB-CZ2 4.03Å; L443-W445 HydrophobicContact CB-CZ3 4.34Å; L443-W445 HydrophobicContact CD1-CH2 3.94Å; L443-W445 HydrophobicContact CD1-CZ2 3.46Å; L443-W445 VanDerWaalsContact CD1-CZ2 3.46Å; L443-W445 HydrophobicContact CG-CZ2 4.34Å; L443-W445 PolarHBondContact O-N 3.31Å; L443-W445 VanDerWaalsContact O-N 3.08Å |
| 446 | W | 95.2 | Very high | 92.7 | Very high | 9 Ų | 9 | 47.2 Ų | 47.2 | 3% | 0.034 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -66.6 | 141.8 | 173 | -72.1 | -5.2 | 0 | 0 | 0 | 110 | T349 Y350 R405 Q440 S441 R442 L443 | T349-W446 PolarHBondContact O-NE1 3.3Å; Y350-W446 HydrophobicContact CD1-CZ2 4.11Å; Y350-W446 AromaticContact CE1-CH2 3.88Å; Y350-W446 HydrophobicContact CE1-CH2 3.88Å; Y350-W446 AromaticContact CE1-CZ2 3.68Å; Y350-W446 HydrophobicContact CE1-CZ2 3.68Å; Y350-W446 HydrophobicContact CE2-CZ2 4.23Å; Y350-W446 AromaticContact CZ-CH2 3.9Å; Y350-W446 AromaticContact CZ-CZ2 3.74Å; R405-W446 HydrophobicContact CG-CG 4.24Å; R405-W446 VanDerWaalsContact NH1-CZ2 3.31Å; R405-W446 VanDerWaalsContact NH2-CZ3 3.3Å; Q440-W446 HydrophobicContact CG-CZ3 4.46Å; S441-W446 VanDerWaalsContact O-CZ3 3.27Å; S441-W446 WeakPolarHBondContact O-CZ3 3.2Å; R442-W446 HydrophobicContact CG-CB 4.26Å; R442-W446 PolarHBondContact NE-O 3.24Å; R442-W446 PolarHBondContact NH2-O 3.23Å; L443-W446 HydrophobicContact CB-CD2 3.89Å; L443-W446 HydrophobicContact CB-CE3 4.35Å; L443-W446 HydrophobicContact CB-CG 4.05Å; L443-W446 HydrophobicContact CB-CZ2 4.46Å; L443-W446 HydrophobicContact CD1-CD2 4.37Å; L443-W446 HydrophobicContact CD1-CH2 4.13Å; L443-W446 HydrophobicContact CD1-CZ2 3.46Å; L443-W446 VanDerWaalsContact CD1-CZ2 3.46Å; L443-W446 HydrophobicContact CG-CD2 3.98Å; L443-W446 HydrophobicContact CG-CE3 4.24Å; L443-W446 HydrophobicContact CG-CH2 3.93Å; L443-W446 HydrophobicContact CG-CZ2 3.68Å; L443-W446 HydrophobicContact CG-CZ3 4.2Å; L443-W446 WeakPolarHBondContact O-CB 3.21Å; L443-W446 PolarHBondContact O-N 2.88Å |
| 447 | P | 93.3 | Very high | 92.5 | Very high | 24 Ų | 24 | 45.9 Ų | 45.9 | 16% | 0.156 | 26% | 0.26 | C | S | . | . | trans | -68.2 | 144.6 | 169.8 | 30 | -36.8 | 0 | 0 | 0 | 111.5 | F404 R405 P408 | F404-P447 HydrophobicContact CD1-CG 3.88Å; F404-P447 HydrophobicContact CE1-CB 3.77Å; F404-P447 HydrophobicContact CE1-CG 3.47Å; F404-P447 VanDerWaalsContact CE1-CG 3.47Å; F404-P447 HydrophobicContact CZ-CB 3.75Å; F404-P447 HydrophobicContact CZ-CG 3.85Å; R405-P447 HydrophobicContact CG-CG 4.48Å; P408-P447 HydrophobicContact CB-CB 3.83Å; P408-P447 HydrophobicContact CB-CG 3.94Å; P408-P447 HydrophobicContact CG-CB 4.32Å; P408-P447 HydrophobicContact CG-CG 4.31Å | ||
| 448 | D | 92.8 | Very high | 92.4 | Very high | 57 Ų | 57 | 47.7 Ų | 47.7 | 31% | 0.305 | 27% | 0.268 | S | S | . | . | trans | -86.2 | -176.1 | 165.7 | 53.8 | 71.1 | 0 | 0 | 0 | 112.3 | F404 R442 S450 P451 | F404-D448 WeakPolarHBondContact CZ-O 3.38Å; R442-D448 IonicContact CZ-OD2 3.24Å; R442-D448 VanDerWaalsContact CZ-OD2 3.26Å; R442-D448 IonicContact NH1-OD2 3.38Å; R442-D448 PolarHBondContact NH1-OD2 3.21Å; R442-D448 IonicContact NH2-OD2 3.34Å; R442-D448 PolarHBondContact NH2-OD2 3.35Å; R442-D448 VanDerWaalsContact NH2-OD2 3.09Å; D448-S450 VanDerWaalsContact C-N 3.26Å; D448-S450 PolarHBondContact O-N 3.08Å; D448-S450 WeakPolarHBondContact OD1-CB 3.26Å; D448-S450 PolarHBondContact OD1-N 3.11Å; D448-S450 PolarHBondContact OD1-OG 3Å; D448-P451 VanDerWaalsContact O-CD 3.24Å; D448-P451 WeakPolarHBondContact O-CD 3.29Å | ||
| 449 | V | 93.1 | Very high | 92.3 | Very high | 9.5 Ų | 9.5 | 45.9 Ų | 45.9 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -75.5 | -4.8 | -175 | 83.5 | 0 | 0 | 0 | 0 | 114.1 | L434 I437 I438 F452 Y453 L520 | L434-V449 HydrophobicContact CD2-CG2 4.02Å; I437-V449 HydrophobicContact CG2-CB 4.27Å; I437-V449 HydrophobicContact CG2-CG2 4.49Å; I438-V449 HydrophobicContact CD1-CG2 4.12Å; I438-V449 HydrophobicContact CG1-CB 4.04Å; I438-V449 HydrophobicContact CG1-CG1 4.11Å; I438-V449 HydrophobicContact CG1-CG2 4.02Å; V449-F452 HydrophobicContact CB-CD2 4.43Å; V449-F452 HydrophobicContact CG2-CB 4.35Å; V449-F452 HydrophobicContact CG2-CD2 3.67Å; V449-F452 HydrophobicContact CG2-CE2 4.43Å; V449-F452 HydrophobicContact CG2-CG 4.4Å; V449-F452 WeakPolarHBondContact O-CB 3.28Å; V449-F452 WeakPolarHBondContact O-CD2 3.31Å; V449-F452 PolarHBondContact O-N 2.83Å; V449-Y453 HydrophobicContact CG1-CE1 4.12Å; V449-Y453 WeakPolarHBondContact CG1-OH 3.4Å; V449-L520 HydrophobicContact CG2-CD1 4.22Å; V449-L520 HydrophobicContact CG2-CD2 4Å; V449-L520 HydrophobicContact CG2-CG 4.36Å |
| 450 | S | 91.7 | Very high | 92.2 | Very high | 57 Ų | 57 | 43.2 Ų | 43.2 | 40% | 0.399 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -55.4 | -36.2 | -174.3 | -54.8 | 0 | 0 | 0 | 0 | 115.8 | D448 F452 Y453 | D448-S450 VanDerWaalsContact C-N 3.26Å; D448-S450 PolarHBondContact O-N 3.08Å; D448-S450 WeakPolarHBondContact OD1-CB 3.26Å; D448-S450 PolarHBondContact OD1-N 3.11Å; D448-S450 PolarHBondContact OD1-OG 3Å; S450-F452 PolarHBondContact O-N 3.28Å; S450-F452 VanDerWaalsContact O-N 3.11Å; S450-Y453 WeakPolarHBondContact O-CD2 3.48Å; S450-Y453 PolarHBondContact O-N 3.37Å; S450-Y453 VanDerWaalsContact O-N 3.14Å |
| 451 | P | 89.6 | Confident | 92.2 | Very high | 41 Ų | 41 | 43.7 Ų | 43.7 | 27% | 0.266 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.7 | -25.6 | 175.3 | -27.3 | 37.5 | 0 | 0 | 0 | 114.2 | F404 D448 S454 | F404-P451 HydrophobicContact CE2-CB 4.35Å; F404-P451 HydrophobicContact CE2-CG 4.26Å; F404-P451 HydrophobicContact CZ-CB 4.49Å; F404-P451 HydrophobicContact CZ-CG 4.1Å; D448-P451 VanDerWaalsContact O-CD 3.24Å; D448-P451 WeakPolarHBondContact O-CD 3.29Å; P451-S454 PolarHBondContact O-OG 3.21Å |
| 452 | F | 90.8 | Very high | 92.3 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -83.8 | -14.5 | -179.2 | -56.4 | -79.9 | 0 | 0 | 0 | 113.9 | F404 L414 L434 I437 V449 S450 S454 K455 L520 | F404-F452 HydrophobicContact CD1-CE2 4.07Å; F404-F452 HydrophobicContact CD1-CZ 4.18Å; F404-F452 HydrophobicContact CD2-CE1 4.45Å; F404-F452 AromaticContact CD2-CE2 3.93Å; F404-F452 HydrophobicContact CD2-CE2 3.93Å; F404-F452 AromaticContact CD2-CZ 3.52Å; F404-F452 HydrophobicContact CD2-CZ 3.52Å; F404-F452 VanDerWaalsContact CD2-CZ 3.48Å; F404-F452 AromaticContact CE1-CE2 3.66Å; F404-F452 HydrophobicContact CE1-CE2 3.66Å; F404-F452 HydrophobicContact CE1-CZ 4.18Å; F404-F452 HydrophobicContact CE2-CD2 4.42Å; F404-F452 AromaticContact CE2-CE2 3.51Å; F404-F452 HydrophobicContact CE2-CE2 3.51Å; F404-F452 VanDerWaalsContact CE2-CE2 3.49Å; F404-F452 AromaticContact CE2-CZ 3.54Å; F404-F452 HydrophobicContact CE2-CZ 3.54Å; F404-F452 HydrophobicContact CG-CE2 4.2Å; F404-F452 AromaticContact CG-CZ 3.86Å; F404-F452 HydrophobicContact CG-CZ 3.86Å; F404-F452 HydrophobicContact CZ-CD2 4.25Å; F404-F452 AromaticContact CZ-CE2 3.36Å; F404-F452 HydrophobicContact CZ-CE2 3.36Å; F404-F452 AromaticContact CZ-CZ 3.88Å; F404-F452 HydrophobicContact CZ-CZ 3.88Å; L414-F452 HydrophobicContact CD1-CD1 3.81Å; L414-F452 HydrophobicContact CD1-CE1 3.75Å; L414-F452 HydrophobicContact CD2-CD1 3.57Å; L414-F452 HydrophobicContact CD2-CE1 3.67Å; L414-F452 HydrophobicContact CG-CD1 4.33Å; L414-F452 HydrophobicContact CG-CE1 4.23Å; L434-F452 HydrophobicContact CD2-CB 4.19Å; L434-F452 HydrophobicContact CD2-CD1 3.7Å; L434-F452 HydrophobicContact CD2-CD2 3.45Å; L434-F452 VanDerWaalsContact CD2-CD2 3.45Å; L434-F452 HydrophobicContact CD2-CE1 3.81Å; L434-F452 HydrophobicContact CD2-CE2 3.57Å; L434-F452 HydrophobicContact CD2-CG 3.51Å; L434-F452 VanDerWaalsContact CD2-CG 3.49Å; L434-F452 HydrophobicContact CD2-CZ 3.75Å; I437-F452 HydrophobicContact CD1-CE2 4.27Å; I437-F452 HydrophobicContact CD1-CZ 4.45Å; V449-F452 HydrophobicContact CB-CD2 4.43Å; V449-F452 HydrophobicContact CG2-CB 4.35Å; V449-F452 HydrophobicContact CG2-CD2 3.67Å; V449-F452 HydrophobicContact CG2-CE2 4.43Å; V449-F452 HydrophobicContact CG2-CG 4.4Å; V449-F452 WeakPolarHBondContact O-CB 3.28Å; V449-F452 WeakPolarHBondContact O-CD2 3.31Å; V449-F452 PolarHBondContact O-N 2.83Å; S450-F452 PolarHBondContact O-N 3.28Å; S450-F452 VanDerWaalsContact O-N 3.11Å; F452-S454 PolarHBondContact O-N 3.34Å; F452-K455 CarbonylContact O-C 3.38Å; F452-K455 WeakPolarHBondContact O-CA 3.37Å; F452-K455 WeakPolarHBondContact O-CB 3.38Å; F452-K455 PolarHBondContact O-N 3.18Å; F452-L520 HydrophobicContact CB-CD2 3.87Å |
| 453 | Y | 91.7 | Very high | 92.5 | Very high | 34 Ų | 34 | 33.5 Ų | 33.5 | 13% | 0.133 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.9 | -33.3 | 172.5 | -62.5 | -37.5 | 0 | 0 | 0 | 111.8 | V449 S450 K455 S456 N517 L519 L520 Y523 | V449-Y453 HydrophobicContact CG1-CE1 4.12Å; V449-Y453 WeakPolarHBondContact CG1-OH 3.4Å; S450-Y453 WeakPolarHBondContact O-CD2 3.48Å; S450-Y453 PolarHBondContact O-N 3.37Å; S450-Y453 VanDerWaalsContact O-N 3.14Å; Y453-K455 PolarHBondContact O-N 3.21Å; Y453-S456 WeakPolarHBondContact O-CB 3.47Å; Y453-S456 PolarHBondContact O-N 3.23Å; Y453-S456 VanDerWaalsContact O-N 3.13Å; Y453-N517 VanDerWaalsContact CE1-OD1 3.3Å; Y453-N517 WeakPolarHBondContact CE1-OD1 3.33Å; Y453-N517 PolarHBondContact OH-ND2 3.31Å; Y453-N517 PolarHBondContact OH-OD1 2.91Å; Y453-L519 HydrophobicContact CD1-CB 4.35Å; Y453-L519 HydrophobicContact CD1-CD2 4.4Å; Y453-L519 HydrophobicContact CD1-CG 3.89Å; Y453-L519 HydrophobicContact CD2-CD2 4.11Å; Y453-L519 HydrophobicContact CD2-CG 4.42Å; Y453-L519 HydrophobicContact CE1-CB 3.75Å; Y453-L519 HydrophobicContact CE1-CD2 4Å; Y453-L519 HydrophobicContact CE1-CG 3.66Å; Y453-L519 HydrophobicContact CE2-CD2 3.66Å; Y453-L519 HydrophobicContact CE2-CG 4.21Å; Y453-L519 HydrophobicContact CG-CD2 4.48Å; Y453-L519 HydrophobicContact CG-CG 4.29Å; Y453-L520 HydrophobicContact CD1-CD2 4.01Å; Y453-L520 HydrophobicContact CD1-CG 4.47Å; Y453-L520 HydrophobicContact CE1-CD2 4.06Å; Y453-L520 HydrophobicContact CE1-CG 4.15Å; Y453-Y523 WeakPolarHBondContact O-CD1 3.44Å |
| 454 | S | 88.4 | Confident | 92.5 | Very high | 60.5 Ų | 60.5 | 34.4 Ų | 34.4 | 42% | 0.423 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -6.4 | 170.1 | 70.6 | 0 | 0 | 0 | 0 | 115.3 | K411 P451 F452 | K411-S454 PolarHBondContact NZ-OG 3.14Å; P451-S454 PolarHBondContact O-OG 3.21Å; F452-S454 PolarHBondContact O-N 3.34Å |
| 455 | K | 90.6 | Very high | 92.5 | Very high | 57 Ų | 57 | 33.2 Ų | 33.2 | 25% | 0.248 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | 16 | -179.4 | -63.8 | -60.4 | 178 | -171.6 | 0 | 114.6 | L414 L418 F452 Y453 T457 E458 I459 | L414-K455 HydrophobicContact CD2-CG 4.13Å; L418-K455 HydrophobicContact CD1-CB 3.76Å; L418-K455 HydrophobicContact CD1-CD 3.84Å; L418-K455 HydrophobicContact CD1-CG 3.73Å; F452-K455 CarbonylContact O-C 3.38Å; F452-K455 WeakPolarHBondContact O-CA 3.37Å; F452-K455 WeakPolarHBondContact O-CB 3.38Å; F452-K455 PolarHBondContact O-N 3.18Å; Y453-K455 PolarHBondContact O-N 3.21Å; K455-T457 PolarHBondContact O-N 3.13Å; K455-T457 VanDerWaalsContact O-N 3.17Å; K455-E458 WeakPolarHBondContact CA-OE2 3.45Å; K455-E458 VanDerWaalsContact CD-CD 3.49Å; K455-E458 HydrophobicContact CD-CG 4.47Å; K455-E458 WeakPolarHBondContact CD-OE1 3.4Å; K455-E458 WeakPolarHBondContact CE-OE1 3.34Å; K455-E458 IonicContact NZ-OE1 3.49Å; K455-E458 PolarHBondContact NZ-OE1 3.13Å; K455-E458 PolarHBondContact O-N 3.16Å; K455-I459 WeakPolarHBondContact O-CG1 3.39Å; K455-I459 PolarHBondContact O-N 3.45Å; K455-I459 VanDerWaalsContact O-N 3.08Å |
| 456 | S | 92.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.6 | -30.2 | 178.1 | -172.3 | 0 | 0 | 0 | 0 | 114.5 | Y453 R460 L520 M521 Y523 | Y453-S456 WeakPolarHBondContact O-CB 3.47Å; Y453-S456 PolarHBondContact O-N 3.23Å; Y453-S456 VanDerWaalsContact O-N 3.13Å; S456-R460 PolarHBondContact O-N 3.15Å; S456-L520 VanDerWaalsContact CA-O 3.26Å; S456-L520 WeakPolarHBondContact CA-O 3.33Å; S456-L520 WeakPolarHBondContact CB-O 3.44Å; S456-L520 PolarHBondContact OG-O 3.1Å; S456-M521 VanDerWaalsContact OG-C 3.25Å; S456-M521 VanDerWaalsContact OG-CA 3.28Å; S456-M521 WeakPolarHBondContact OG-CA 3.38Å; S456-M521 PolarHBondContact OG-O 3Å; S456-Y523 VanDerWaalsContact CB-O 3.28Å; S456-Y523 WeakPolarHBondContact CB-O 3.29Å; S456-Y523 PolarHBondContact OG-O 2.95Å |
| 457 | T | 91.7 | Very high | 92.2 | Very high | 36 Ų | 36 | 31 Ų | 31 | 22% | 0.221 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.7 | -48.5 | 177.9 | -55.6 | 0 | 0 | 0 | 0 | 111 | K455 I459 R460 S461 R528 | K455-T457 PolarHBondContact O-N 3.13Å; K455-T457 VanDerWaalsContact O-N 3.17Å; T457-I459 VanDerWaalsContact C-N 3.33Å; T457-I459 PolarHBondContact O-N 3.41Å; T457-R460 PolarHBondContact O-N 3.3Å; T457-S461 PolarHBondContact O-N 3.25Å; T457-S461 PolarHBondContact O-OG 3.18Å; T457-R528 PolarHBondContact OG1-NH1 3.34Å; T457-R528 PolarHBondContact OG1-NH2 3.38Å |
| 458 | E | 93.1 | Very high | 92 | Very high | 60 Ų | 60 | 33.8 Ų | 33.8 | 28% | 0.28 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.1 | -39.6 | 179.1 | -62.3 | 94.3 | 135.3 | 0 | 0 | 111.4 | L418 K455 S461 M462 | L418-E458 HydrophobicContact CB-CB 4.37Å; L418-E458 HydrophobicContact CD1-CB 4.2Å; L418-E458 HydrophobicContact CD2-CB 3.94Å; L418-E458 HydrophobicContact CG-CB 4.42Å; K455-E458 WeakPolarHBondContact CA-OE2 3.45Å; K455-E458 VanDerWaalsContact CD-CD 3.49Å; K455-E458 HydrophobicContact CD-CG 4.47Å; K455-E458 WeakPolarHBondContact CD-OE1 3.4Å; K455-E458 WeakPolarHBondContact CE-OE1 3.34Å; K455-E458 IonicContact NZ-OE1 3.49Å; K455-E458 PolarHBondContact NZ-OE1 3.13Å; K455-E458 PolarHBondContact O-N 3.16Å; E458-S461 PolarHBondContact O-N 3.13Å; E458-M462 PolarHBondContact O-N 3.16Å |
| 459 | I | 94.4 | Very high | 91.6 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.4 | -45.2 | 174 | -65.1 | 168.3 | 0 | 0 | 0 | 111.2 | L418 L434 K455 T457 M462 F463 M510 L520 M521 | L418-I459 HydrophobicContact CD2-CG1 3.9Å; L434-I459 HydrophobicContact CD1-CD1 4.37Å; K455-I459 WeakPolarHBondContact O-CG1 3.39Å; K455-I459 PolarHBondContact O-N 3.45Å; K455-I459 VanDerWaalsContact O-N 3.08Å; T457-I459 VanDerWaalsContact C-N 3.33Å; T457-I459 PolarHBondContact O-N 3.41Å; I459-M462 PolarHBondContact O-N 3.01Å; I459-F463 PolarHBondContact O-N 3.15Å; I459-M510 HydrophobicContact CG2-CE 4.21Å; I459-M510 WeakPolarHBondContact O-CE 3.33Å; I459-L520 HydrophobicContact CD1-CD2 4.11Å; I459-M521 HydrophobicContact CG2-CE 3.89Å; I459-M521 HydrophobicContact CG2-CG 4.01Å; I459-M521 HydrophobicContact CG2-SD 4.36Å |
| 460 | R | 94.1 | Very high | 91 | Very high | 17 Ų | 17 | 35.9 Ų | 35.9 | 6% | 0.064 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.7 | -38.3 | 174.6 | -85.4 | -168.7 | -72.7 | 95.3 | 0.7 | 113.1 | S456 T457 M462 F463 L464 M521 L540 | S456-R460 PolarHBondContact O-N 3.15Å; T457-R460 PolarHBondContact O-N 3.3Å; R460-M462 VanDerWaalsContact C-N 3.33Å; R460-F463 PolarHBondContact O-N 3.12Å; R460-L464 WeakPolarHBondContact O-CG 3.47Å; R460-L464 PolarHBondContact O-N 2.99Å; R460-M521 WeakPolarHBondContact CD-O 3.32Å; R460-M521 HydrophobicContact CG-CB 3.84Å; R460-M521 HydrophobicContact CG-CG 4.32Å; R460-M521 HydrophobicContact CG-SD 4.45Å; R460-M521 PolarHBondContact NE-O 3.39Å; R460-M521 VanDerWaalsContact NE-O 3.1Å; R460-L540 HydrophobicContact CG-CD1 4.46Å |
| 461 | S | 93.1 | Very high | 90.4 | Very high | 59 Ų | 59 | 36.8 Ų | 36.8 | 41% | 0.413 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.2 | -43.6 | 174.4 | -67.5 | 0 | 0 | 0 | 0 | 111.2 | T457 E458 F463 L464 E465 | T457-S461 PolarHBondContact O-N 3.25Å; T457-S461 PolarHBondContact O-OG 3.18Å; E458-S461 PolarHBondContact O-N 3.13Å; S461-F463 VanDerWaalsContact C-N 3.35Å; S461-F463 PolarHBondContact O-N 2.94Å; S461-L464 PolarHBondContact O-N 3.15Å; S461-E465 WeakPolarHBondContact O-CB 3.39Å; S461-E465 PolarHBondContact O-N 3.25Å |
| 462 | M | 93.7 | Very high | 89.4 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.02 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.6 | -39.5 | 175.5 | -170.3 | 174.1 | 77.9 | 0 | 0 | 112.4 | H427 L430 V431 E458 I459 R460 T466 M510 | H427-M462 HydrophobicContact CB-SD 3.76Å; H427-M462 PolarHBondContact CD2-SD 3.01Å; L430-M462 HydrophobicContact CD2-CE 4.22Å; L430-M462 HydrophobicContact CD2-SD 4.36Å; V431-M462 HydrophobicContact CG2-CE 3.65Å; E458-M462 PolarHBondContact O-N 3.16Å; I459-M462 PolarHBondContact O-N 3.01Å; R460-M462 VanDerWaalsContact C-N 3.33Å; M462-T466 VanDerWaalsContact O-CB 3.29Å; M462-T466 WeakPolarHBondContact O-CB 3.2Å; M462-T466 PolarHBondContact O-N 3.18Å; M462-T466 VanDerWaalsContact O-N 3.07Å; M462-T466 PolarHBondContact O-OG1 3.05Å; M462-M510 HydrophobicContact CB-CE 4.21Å; M462-M510 HydrophobicContact CE-CE 3.47Å; M462-M510 VanDerWaalsContact CE-CE 3.47Å; M462-M510 HydrophobicContact CE-SD 3.83Å; M462-M510 HydrophobicContact CG-CE 4.32Å; M462-M510 HydrophobicContact CG-SD 4.26Å |
| 463 | F | 95.1 | Very high | 87.8 | Confident | 0.5 Ų | 0.5 | 46 Ų | 46 | 0% | 0.002 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.8 | -53.9 | 173.6 | 172.4 | -100.1 | 0 | 0 | 0 | 111.9 | I459 R460 S461 E465 T466 L467 L507 M510 V511 L540 L544 | I459-F463 PolarHBondContact O-N 3.15Å; R460-F463 PolarHBondContact O-N 3.12Å; S461-F463 VanDerWaalsContact C-N 3.35Å; S461-F463 PolarHBondContact O-N 2.94Å; F463-E465 VanDerWaalsContact C-N 3.34Å; F463-E465 PolarHBondContact O-N 3.34Å; F463-T466 PolarHBondContact O-N 2.88Å; F463-L467 HydrophobicContact CE1-CD2 4.23Å; F463-L467 HydrophobicContact CZ-CD2 4.43Å; F463-L467 WeakPolarHBondContact O-CB 3.29Å; F463-L467 PolarHBondContact O-N 3.07Å; F463-L507 HydrophobicContact CD2-CD1 3.61Å; F463-L507 HydrophobicContact CE2-CD1 3.5Å; F463-L507 VanDerWaalsContact CE2-CD1 3.49Å; F463-L507 HydrophobicContact CZ-CD1 4.43Å; F463-M510 HydrophobicContact CB-CE 3.71Å; F463-M510 HydrophobicContact CB-SD 4.17Å; F463-M510 HydrophobicContact CD2-CB 4.26Å; F463-V511 HydrophobicContact CE2-CG2 4Å; F463-L540 HydrophobicContact CD1-CD1 3.71Å; F463-L540 HydrophobicContact CE1-CD1 3.76Å; F463-L540 HydrophobicContact CG-CD1 4.4Å; F463-L540 HydrophobicContact CZ-CD1 4.47Å; F463-L544 HydrophobicContact CE2-CD2 4.16Å; F463-L544 HydrophobicContact CZ-CD2 3.77Å; F463-L544 HydrophobicContact CZ-CG 4.14Å |
| 464 | L | 93.4 | Very high | 85.9 | Confident | 46 Ų | 46 | 49 Ų | 49 | 24% | 0.241 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.3 | -36.3 | -176.5 | -68.2 | 173.5 | 0 | 0 | 0 | 112.1 | R460 S461 L467 N468 D539 | R460-L464 WeakPolarHBondContact O-CG 3.47Å; R460-L464 PolarHBondContact O-N 2.99Å; S461-L464 PolarHBondContact O-N 3.15Å; L464-L467 PolarHBondContact O-N 3.32Å; L464-N468 WeakPolarHBondContact O-CB 3.36Å; L464-N468 PolarHBondContact O-N 3.06Å; L464-N468 PolarHBondContact O-ND2 3.11Å; L464-D539 HydrophobicContact CD1-CB 4.47Å |
| 465 | E | 90.8 | Very high | 84.1 | Confident | 64 Ų | 64 | 49.3 Ų | 49.3 | 30% | 0.299 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -70.3 | -41.7 | 176 | -159.9 | -174.5 | 143.6 | 0 | 0 | 111.9 | T420 S461 F463 L467 N468 R469 | T420-E465 VanDerWaalsContact CB-OE2 3.22Å; T420-E465 WeakPolarHBondContact CB-OE2 3.44Å; T420-E465 WeakPolarHBondContact CG2-OE2 3.27Å; T420-E465 PolarHBondContact OG1-OE2 3.21Å; S461-E465 WeakPolarHBondContact O-CB 3.39Å; S461-E465 PolarHBondContact O-N 3.25Å; F463-E465 VanDerWaalsContact C-N 3.34Å; F463-E465 PolarHBondContact O-N 3.34Å; E465-L467 VanDerWaalsContact C-N 3.34Å; E465-L467 PolarHBondContact O-N 3.1Å; E465-N468 PolarHBondContact O-N 3.46Å; E465-R469 WeakPolarHBondContact O-CB 3.38Å; E465-R469 VanDerWaalsContact O-CG 3.26Å; E465-R469 WeakPolarHBondContact O-CG 3.32Å; E465-R469 PolarHBondContact O-N 3.09Å; E465-R469 IonicContact OE1-CZ 2.84Å; E465-R469 IonicContact OE1-NE 3.33Å; E465-R469 PolarHBondContact OE1-NE 3.02Å; E465-R469 IonicContact OE1-NH2 3.25Å; E465-R469 PolarHBondContact OE1-NH2 2.93Å |
| 466 | T | 91 | Very high | 81.9 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 173.8 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | M462 F463 N468 R469 V470 L506 L507 | M462-T466 VanDerWaalsContact O-CB 3.29Å; M462-T466 WeakPolarHBondContact O-CB 3.2Å; M462-T466 PolarHBondContact O-N 3.18Å; M462-T466 VanDerWaalsContact O-N 3.07Å; M462-T466 PolarHBondContact O-OG1 3.05Å; F463-T466 PolarHBondContact O-N 2.88Å; T466-N468 PolarHBondContact O-N 3.18Å; T466-R469 PolarHBondContact O-N 3.41Å; T466-V470 WeakPolarHBondContact O-CG2 3.41Å; T466-V470 PolarHBondContact O-N 3Å; T466-L506 HydrophobicContact CG2-CD2 4.1Å; T466-L506 HydrophobicContact CG2-CG 4.3Å; T466-L507 HydrophobicContact CG2-CB 4.08Å; T466-L507 HydrophobicContact CG2-CD1 4.24Å |
| 467 | L | 91.1 | Very high | 79.4 | Confident | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60 | -45.8 | 175 | 177.8 | 63.9 | 0 | 0 | 0 | 112.3 | F463 L464 E465 V470 N471 L507 G543 L547 | F463-L467 HydrophobicContact CE1-CD2 4.23Å; F463-L467 HydrophobicContact CZ-CD2 4.43Å; F463-L467 WeakPolarHBondContact O-CB 3.29Å; F463-L467 PolarHBondContact O-N 3.07Å; L464-L467 PolarHBondContact O-N 3.32Å; E465-L467 VanDerWaalsContact C-N 3.34Å; E465-L467 PolarHBondContact O-N 3.1Å; L467-V470 PolarHBondContact O-N 3.26Å; L467-N471 WeakPolarHBondContact O-CB 3.4Å; L467-N471 PolarHBondContact O-N 3.24Å; L467-N471 PolarHBondContact O-ND2 2.91Å; L467-L507 HydrophobicContact CB-CD1 4.42Å; L467-L507 HydrophobicContact CD1-CD2 4.06Å; L467-G543 VanDerWaalsContact CD2-CA 3.43Å; L467-L547 HydrophobicContact CD1-CD1 4.45Å; L467-L547 HydrophobicContact CD1-CD2 3.55Å; L467-L547 VanDerWaalsContact CD1-CD2 3.5Å; L467-L547 HydrophobicContact CD1-CG 4Å |
| 468 | N | 88.8 | Confident | 76.9 | Confident | 81.5 Ų | 81.5 | 65.9 Ų | 65.9 | 44% | 0.436 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | 176.4 | -71.3 | -21.1 | 0 | 0 | 0 | 111.5 | L464 E465 T466 V470 N471 H472 | L464-N468 WeakPolarHBondContact O-CB 3.36Å; L464-N468 PolarHBondContact O-N 3.06Å; L464-N468 PolarHBondContact O-ND2 3.11Å; E465-N468 PolarHBondContact O-N 3.46Å; T466-N468 PolarHBondContact O-N 3.18Å; N468-V470 PolarHBondContact O-N 3.41Å; N468-N471 PolarHBondContact O-N 3.07Å; N468-N471 VanDerWaalsContact O-N 3.17Å; N468-H472 PolarHBondContact O-CD2 3.08Å; N468-H472 PolarHBondContact O-N 3.11Å |
| 469 | R | 84.3 | Confident | 74.1 | Confident | 109.5 Ų | 109.5 | 67.4 Ų | 67.4 | 41% | 0.413 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60 | -26.6 | 175 | -72.5 | 170.1 | 177.6 | -144.2 | 9 | 112.8 | T420 E465 T466 H473 | T420-R469 PolarHBondContact O-NH2 3.18Å; E465-R469 WeakPolarHBondContact O-CB 3.38Å; E465-R469 VanDerWaalsContact O-CG 3.26Å; E465-R469 WeakPolarHBondContact O-CG 3.32Å; E465-R469 PolarHBondContact O-N 3.09Å; E465-R469 IonicContact OE1-CZ 2.84Å; E465-R469 IonicContact OE1-NE 3.33Å; E465-R469 PolarHBondContact OE1-NE 3.02Å; E465-R469 IonicContact OE1-NH2 3.25Å; E465-R469 PolarHBondContact OE1-NH2 2.93Å; T466-R469 PolarHBondContact O-N 3.41Å; R469-H473 PolarHBondContact O-CD2 3.05Å; R469-H473 VanDerWaalsContact O-CD2 3.29Å; R469-H473 PolarHBondContact O-NE2 3.05Å |
| 470 | V | 82.1 | Confident | 71 | Confident | 1.5 Ų | 1.5 | 75.7 Ų | 75.7 | 1% | 0.009 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -78.6 | -50.9 | 170.6 | 166 | 0 | 0 | 0 | 0 | 111.2 | T466 L467 N468 H472 H473 K503 Y504 L507 | T466-V470 WeakPolarHBondContact O-CG2 3.41Å; T466-V470 PolarHBondContact O-N 3Å; L467-V470 PolarHBondContact O-N 3.26Å; N468-V470 PolarHBondContact O-N 3.41Å; V470-H472 VanDerWaalsContact C-N 3.29Å; V470-H472 PolarHBondContact O-N 3.26Å; V470-H473 CarbonylContact O-C 3.47Å; V470-H473 VanDerWaalsContact O-C 3.24Å; V470-H473 PolarHBondContact O-N 3.16Å; V470-H473 VanDerWaalsContact O-N 3.08Å; V470-K503 HydrophobicContact CG2-CB 3.82Å; V470-Y504 HydrophobicContact CG1-CD1 4.03Å; V470-Y504 HydrophobicContact CG1-CE1 3.35Å; V470-Y504 HydrophobicContact CG2-CD1 4.45Å; V470-Y504 HydrophobicContact CG2-CE1 4.41Å; V470-L507 HydrophobicContact CB-CD2 4.49Å; V470-L507 HydrophobicContact CG2-CD2 4.32Å |
| 471 | N | 79.1 | Confident | 67.8 | Low | 77 Ų | 77 | 78.6 Ų | 78.6 | 41% | 0.412 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.1 | -25.4 | -176.2 | -75.3 | -26.6 | 0 | 0 | 0 | 114.1 | L467 N468 H473 Q550 | L467-N471 WeakPolarHBondContact O-CB 3.4Å; L467-N471 PolarHBondContact O-N 3.24Å; L467-N471 PolarHBondContact O-ND2 2.91Å; N468-N471 PolarHBondContact O-N 3.07Å; N468-N471 VanDerWaalsContact O-N 3.17Å; N471-H473 VanDerWaalsContact C-N 3.32Å; N471-Q550 PolarHBondContact OD1-NE2 3.28Å; N471-Q550 VanDerWaalsContact OD1-NE2 3.08Å |
| 472 | H | 68.3 | Low | 64.6 | Low | 146 Ų | 146 | 84.7 Ų | 84.7 | 68% | 0.676 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -11.5 | 174.2 | -68.4 | -52 | 0 | 0 | 0 | 114.4 | N468 V470 P474 | N468-H472 PolarHBondContact O-CD2 3.08Å; N468-H472 PolarHBondContact O-N 3.11Å; V470-H472 VanDerWaalsContact C-N 3.29Å; V470-H472 PolarHBondContact O-N 3.26Å; H472-P474 VanDerWaalsContact C-CD 3.4Å |
| 473 | H | 57.5 | Low | 61.8 | Low | 92.5 Ų | 92.5 | 89.2 Ų | 89.2 | 43% | 0.428 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -106.5 | 95.1 | 173.2 | -64.8 | -54.9 | 0 | 0 | 0 | 110.2 | R469 V470 N471 L500 K503 | R469-H473 PolarHBondContact O-CD2 3.05Å; R469-H473 VanDerWaalsContact O-CD2 3.29Å; R469-H473 PolarHBondContact O-NE2 3.05Å; V470-H473 CarbonylContact O-C 3.47Å; V470-H473 VanDerWaalsContact O-C 3.24Å; V470-H473 PolarHBondContact O-N 3.16Å; V470-H473 VanDerWaalsContact O-N 3.08Å; N471-H473 VanDerWaalsContact C-N 3.32Å; H473-L500 HydrophobicContact CB-CD1 4.09Å; H473-L500 HydrophobicContact CB-CD2 4.19Å; H473-K503 PolarHBondContact NE2-NZ 2.98Å |
| 474 | P | 51.8 | Low | 58.8 | Low | 95 Ų | 95 | 99.1 Ų | 99.1 | 62% | 0.617 | 50% | 0.5 | S | S | * | . | trans | -59.5 | 133.3 | 174.4 | 26.8 | -33.7 | 0 | 0 | 0 | 108.9 | H472 I476 | H472-P474 VanDerWaalsContact C-CD 3.4Å; P474-I476 PolarHBondContact O-N 3.19Å | ||
| 475 | P | 49 | Very low | 55.9 | Low | 67 Ų | 67 | 107.7 Ų | 107.7 | 44% | 0.435 | 53% | 0.529 | S | S | . | . | trans | -58.6 | 122.9 | -173.7 | 21.4 | -32.3 | 0 | 0 | 0 | 110.2 | R477 L500 Y504 I552 | P475-R477 PolarHBondContact O-N 3.13Å; P475-L500 HydrophobicContact CB-CD2 4.08Å; P475-Y504 WeakPolarHBondContact CD-OH 3.48Å; P475-I552 HydrophobicContact CB-CD1 3.72Å; P475-I552 HydrophobicContact CG-CB 4.39Å; P475-I552 HydrophobicContact CG-CD1 3.57Å; P475-I552 HydrophobicContact CG-CG1 3.63Å; P475-I552 HydrophobicContact CG-CG2 4.37Å | ||
| 476 | I | 44.4 | Very low | 53.1 | Low | 104.5 Ų | 104.5 | 111.2 Ų | 111.2 | 54% | 0.536 | 55% | 0.55 | S | S | . | . | trans | -58.8 | 112 | 178.8 | -61.5 | 179.3 | 0 | 0 | 0 | 107.3 | P474 I478 E497 L500 | P474-I476 PolarHBondContact O-N 3.19Å; I476-I478 HydrophobicContact CG2-CG1 4.45Å; I476-I478 PolarHBondContact O-N 3.2Å; I476-E497 HydrophobicContact CD1-CG 3.9Å; I476-L500 HydrophobicContact CD1-CD2 3.58Å; I476-L500 HydrophobicContact CG1-CD2 3.88Å | ||
| 477 | R | 40.4 | Very low | 50.2 | Low | 205 Ų | 205 | 119.6 Ų | 119.6 | 77% | 0.774 | 59% | 0.585 | S | S | * | * | trans | -62.8 | 110.7 | 176.9 | -62.5 | -171.7 | -168.3 | -176.8 | 6.6 | 108.1 | P475 T479 | P475-R477 PolarHBondContact O-N 3.13Å; R477-T479 HydrophobicContact CB-CG2 4.11Å; R477-T479 PolarHBondContact O-N 3.25Å; R477-T479 PolarHBondContact O-OG1 2.86Å | ||
| 478 | I | 38.9 | Very low | 47.5 | Very low | 135.5 Ų | 135.5 | 128.4 Ų | 128.4 | 70% | 0.695 | 63% | 0.628 | S | S | * | * | trans | -66.9 | 82.8 | 166.1 | -56.3 | 177.1 | 0 | 0 | 0 | 106.9 | I476 Q480 | I476-I478 HydrophobicContact CG2-CG1 4.45Å; I476-I478 PolarHBondContact O-N 3.2Å; I478-Q480 PolarHBondContact O-N 3.38Å | ||
| 479 | T | 34.5 | Very low | 44.9 | Very low | 91.5 Ų | 91.5 | 131.1 Ų | 131.1 | 56% | 0.561 | 64% | 0.643 | S | S | * | * | trans | -82.8 | 121 | 177.1 | -2.4 | 0 | 0 | 0 | 0 | 107.3 | R477 S481 | R477-T479 HydrophobicContact CB-CG2 4.11Å; R477-T479 PolarHBondContact O-N 3.25Å; R477-T479 PolarHBondContact O-OG1 2.86Å; T479-S481 VanDerWaalsContact C-N 3.33Å; T479-S481 WeakPolarHBondContact CB-OG 3.27Å; T479-S481 PolarHBondContact O-N 3.19Å; T479-S481 PolarHBondContact O-OG 2.85Å; T479-S481 PolarHBondContact OG1-OG 3.48Å | ||
| 480 | Q | 30.1 | Very low | 42.7 | Very low | 177.5 Ų | 177.5 | 131.7 Ų | 131.7 | 83% | 0.829 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -66.2 | 85.2 | 171.8 | -66.9 | 166 | -40.6 | 0 | 0 | 109.6 | I478 R1176 | I478-Q480 PolarHBondContact O-N 3.38Å; Q480-R1176 PolarHBondContact O-NH1 3.03Å |
| 481 | S | 26.2 | Very low | 40.6 | Very low | 79 Ų | 79 | 139.9 Ų | 139.9 | 55% | 0.552 | 69% | 0.689 | S | S | * | * | trans | -143 | 70.3 | 177.1 | 61.6 | 0 | 0 | 0 | 0 | 110 | T479 T483 | T479-S481 VanDerWaalsContact C-N 3.33Å; T479-S481 WeakPolarHBondContact CB-OG 3.27Å; T479-S481 PolarHBondContact O-N 3.19Å; T479-S481 PolarHBondContact O-OG 2.85Å; T479-S481 PolarHBondContact OG1-OG 3.48Å; S481-T483 PolarHBondContact O-N 3.19Å | ||
| 482 | L | 27.2 | Very low | 38.8 | Very low | 186.5 Ų | 186.5 | 141.8 Ų | 141.8 | 98% | 0.976 | 70% | 0.7 | S | S | * | * | trans | -73.5 | 74.6 | 166 | -76.2 | 172.3 | 0 | 0 | 0 | 109.7 | ||||
| 483 | T | 33.4 | Very low | 37.4 | Very low | 97.5 Ų | 97.5 | 140.2 Ų | 140.2 | 60% | 0.598 | 69% | 0.691 | S | S | * | * | trans | -80.1 | 135 | 159.8 | 48.4 | 0 | 0 | 0 | 0 | 108.6 | S481 R485 | S481-T483 PolarHBondContact O-N 3.19Å; T483-R485 PolarHBondContact O-N 2.76Å | ||
| 484 | F | 32.7 | Very low | 36.9 | Very low | 209.5 Ų | 209.5 | 139.1 Ų | 139.1 | 92% | 0.919 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 26.1 | -163.3 | -168.8 | -104.8 | 0 | 0 | 0 | 115.3 | ||
| 485 | R | 33.5 | Very low | 36.7 | Very low | 226.5 Ų | 226.5 | 141.7 Ų | 141.7 | 86% | 0.855 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.3 | -13.4 | -166 | -133.1 | 172.7 | 126.3 | 165.7 | -0.2 | 118.1 | T483 K487 | T483-R485 PolarHBondContact O-N 2.76Å; R485-K487 PolarHBondContact O-N 2.97Å |
| 486 | D | 30.3 | Very low | 37 | Very low | 137.5 Ų | 137.5 | 143 Ų | 143 | 74% | 0.735 | 70% | 0.697 | S | S | * | * | trans | -99.9 | 33.7 | -174.2 | -68.8 | -46 | 0 | 0 | 0 | 115.1 | M488 | D486-M488 VanDerWaalsContact C-N 3.29Å; D486-M488 PolarHBondContact O-N 3.28Å | ||
| 487 | K | 30.3 | Very low | 37.5 | Very low | 186.5 Ų | 186.5 | 141.7 Ų | 141.7 | 81% | 0.811 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | 14.6 | -171.2 | -137.7 | 177.6 | -175 | -179.4 | 0 | 115.8 | R485 | R485-K487 PolarHBondContact O-N 2.97Š|
| 488 | M | 35.3 | Very low | 38.4 | Very low | 188.5 Ų | 188.5 | 136.4 Ų | 136.4 | 93% | 0.929 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | 2.9 | -170 | -62.4 | -170.3 | -177.1 | 0 | 0 | 116.4 | D486 | D486-M488 VanDerWaalsContact C-N 3.29Å; D486-M488 PolarHBondContact O-N 3.28Å |
| 489 | N | 34.4 | Very low | 40 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 75% | 0.749 | 67% | 0.665 | S | S | * | * | trans | -122.3 | 19.3 | 178.6 | -138 | -18.9 | 0 | 0 | 0 | 113.6 | K491 | N489-K491 VanDerWaalsContact C-N 3.3Å; N489-K491 PolarHBondContact O-N 3.42Å; N489-K491 VanDerWaalsContact O-N 3.16Å | ||
| 490 | L | 36.8 | Very low | 42.1 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 63% | 0.634 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 65.5 | -171.5 | -152 | 78 | 0 | 0 | 0 | 112.2 | ||
| 491 | K | 39.1 | Very low | 44.6 | Very low | 173.5 Ų | 173.5 | 126.1 Ų | 126.1 | 75% | 0.754 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.8 | -14.7 | 173.7 | -112.4 | 179.5 | -178.9 | 177.3 | 0 | 115.8 | N489 | N489-K491 VanDerWaalsContact C-N 3.3Å; N489-K491 PolarHBondContact O-N 3.42Å; N489-K491 VanDerWaalsContact O-N 3.16Å |
| 492 | N | 41.3 | Very low | 47.4 | Very low | 118 Ų | 118 | 126.1 Ų | 126.1 | 63% | 0.631 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -110 | -15.9 | 177.8 | -74 | -14.7 | 0 | 0 | 0 | 113.6 | T496 | N492-T496 PolarHBondContact O-OG1 3.33Š|
| 493 | K | 38.9 | Very low | 50.2 | Low | 111 Ų | 111 | 119.2 Ų | 119.2 | 48% | 0.483 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -73.2 | -47.7 | -178.7 | -168 | -175.6 | 176.7 | -123.6 | 0 | 111.6 | K495 T496 E497 | K493-K495 VanDerWaalsContact C-N 3.33Å; K493-K495 PolarHBondContact O-N 3.25Å; K493-T496 WeakPolarHBondContact O-CB 3.43Å; K493-T496 PolarHBondContact O-N 3.05Å; K493-T496 PolarHBondContact O-OG1 3.35Å; K493-E497 WeakPolarHBondContact CE-OE2 3.35Å; K493-E497 IonicContact NZ-OE2 3.47Å; K493-E497 PolarHBondContact NZ-OE2 2.92Å; K493-E497 PolarHBondContact O-N 3.05Å; K493-E497 VanDerWaalsContact O-N 3.17Å |
| 494 | D | 46.8 | Very low | 52.8 | Low | 69.5 Ų | 69.5 | 115.1 Ų | 115.1 | 37% | 0.372 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -54.7 | -47.9 | -172.6 | -35.1 | -39.3 | 0 | 0 | 0 | 111.3 | T496 E497 D498 | D494-T496 VanDerWaalsContact C-N 3.26Å; D494-T496 PolarHBondContact O-N 3.09Å; D494-T496 VanDerWaalsContact O-N 3.16Å; D494-E497 WeakPolarHBondContact O-CA 3.24Å; D494-E497 WeakPolarHBondContact O-CB 3.33Å; D494-E497 PolarHBondContact O-N 3.37Å; D494-D498 VanDerWaalsContact O-CG 3.29Å; D494-D498 PolarHBondContact O-N 3.37Å |
| 495 | K | 47.6 | Very low | 55.5 | Low | 149.5 Ų | 149.5 | 108.2 Ų | 108.2 | 65% | 0.65 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -57.3 | -25.8 | 177.2 | -65.9 | -178.1 | 179.8 | 176.5 | 0 | 115.1 | K493 N499 | K493-K495 VanDerWaalsContact C-N 3.33Å; K493-K495 PolarHBondContact O-N 3.25Å; K495-N499 WeakPolarHBondContact O-CB 3.4Å |
| 496 | T | 55.1 | Low | 58.3 | Low | 96 Ų | 96 | 97.7 Ų | 97.7 | 59% | 0.589 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -86.3 | -32.2 | 176.6 | -0.3 | 0 | 0 | 0 | 0 | 111.4 | N492 K493 D494 L500 | N492-T496 PolarHBondContact O-OG1 3.33Å; K493-T496 WeakPolarHBondContact O-CB 3.43Å; K493-T496 PolarHBondContact O-N 3.05Å; K493-T496 PolarHBondContact O-OG1 3.35Å; D494-T496 VanDerWaalsContact C-N 3.26Å; D494-T496 PolarHBondContact O-N 3.09Å; D494-T496 VanDerWaalsContact O-N 3.16Å; T496-L500 PolarHBondContact O-N 3.17Å |
| 497 | E | 54 | Low | 61.4 | Low | 75.5 Ų | 75.5 | 91.2 Ų | 91.2 | 35% | 0.353 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -73.3 | -44.6 | 177.4 | -155.8 | 152.6 | 169.8 | 0 | 0 | 110.8 | I476 K493 D494 N499 L500 M501 | I476-E497 HydrophobicContact CD1-CG 3.9Å; K493-E497 WeakPolarHBondContact CE-OE2 3.35Å; K493-E497 IonicContact NZ-OE2 3.47Å; K493-E497 PolarHBondContact NZ-OE2 2.92Å; K493-E497 PolarHBondContact O-N 3.05Å; K493-E497 VanDerWaalsContact O-N 3.17Å; D494-E497 WeakPolarHBondContact O-CA 3.24Å; D494-E497 WeakPolarHBondContact O-CB 3.33Å; D494-E497 PolarHBondContact O-N 3.37Å; E497-N499 VanDerWaalsContact C-N 3.32Å; E497-N499 PolarHBondContact O-N 2.98Å; E497-L500 PolarHBondContact O-N 2.77Å; E497-L500 VanDerWaalsContact O-N 3.12Å; E497-M501 PolarHBondContact O-N 3.3Å |
| 498 | D | 59.2 | Low | 64.4 | Low | 95 Ų | 95 | 83 Ų | 83 | 51% | 0.508 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -55.2 | -44.8 | 171.2 | -66.2 | -33 | 0 | 0 | 0 | 112.1 | D494 L500 M501 N502 | D494-D498 VanDerWaalsContact O-CG 3.29Å; D494-D498 PolarHBondContact O-N 3.37Å; D498-L500 VanDerWaalsContact C-N 3.29Å; D498-L500 PolarHBondContact O-N 2.97Å; D498-M501 PolarHBondContact O-N 3.42Å; D498-N502 WeakPolarHBondContact O-CB 3.25Å; D498-N502 VanDerWaalsContact O-CG 3.27Å; D498-N502 PolarHBondContact O-N 3.18Å; D498-N502 PolarHBondContact O-ND2 3.4Å; D498-N502 VanDerWaalsContact O-ND2 3.15Å |
| 499 | N | 72.8 | Confident | 67.3 | Low | 89 Ų | 89 | 76 Ų | 76 | 48% | 0.476 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.7 | -33.1 | -179.8 | -169.1 | -52.3 | 0 | 0 | 0 | 111.7 | K495 E497 K503 | K495-N499 WeakPolarHBondContact O-CB 3.4Å; E497-N499 VanDerWaalsContact C-N 3.32Å; E497-N499 PolarHBondContact O-N 2.98Å; N499-K503 WeakPolarHBondContact O-CD 3.07Å; N499-K503 WeakPolarHBondContact O-CG 3.43Å; N499-K503 PolarHBondContact O-N 3.45Å; N499-K503 WeakPolarHBondContact OD1-CE 3.34Å; N499-K503 PolarHBondContact OD1-NZ 3.24Å |
| 500 | L | 79.6 | Confident | 70.2 | Confident | 15 Ų | 15 | 69.4 Ų | 69.4 | 8% | 0.079 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -74.9 | -42.1 | 174.2 | -172.4 | 61.6 | 0 | 0 | 0 | 111.9 | H473 P475 I476 T496 E497 D498 N502 K503 Y504 | H473-L500 HydrophobicContact CB-CD1 4.09Å; H473-L500 HydrophobicContact CB-CD2 4.19Å; P475-L500 HydrophobicContact CB-CD2 4.08Å; I476-L500 HydrophobicContact CD1-CD2 3.58Å; I476-L500 HydrophobicContact CG1-CD2 3.88Å; T496-L500 PolarHBondContact O-N 3.17Å; E497-L500 PolarHBondContact O-N 2.77Å; E497-L500 VanDerWaalsContact O-N 3.12Å; D498-L500 VanDerWaalsContact C-N 3.29Å; D498-L500 PolarHBondContact O-N 2.97Å; L500-N502 VanDerWaalsContact C-N 3.32Å; L500-N502 PolarHBondContact O-N 2.76Å; L500-K503 HydrophobicContact CD1-CD 4.34Å; L500-K503 WeakPolarHBondContact O-CB 3.38Å; L500-K503 PolarHBondContact O-N 3.41Å; L500-K503 VanDerWaalsContact O-N 3.1Å; L500-Y504 HydrophobicContact CD1-CE2 4.14Å; L500-Y504 HydrophobicContact CD2-CE2 4.03Å; L500-Y504 HydrophobicContact CG-CD2 4.12Å; L500-Y504 HydrophobicContact CG-CE2 3.68Å; L500-Y504 VanDerWaalsContact O-CD2 3.31Å; L500-Y504 WeakPolarHBondContact O-CD2 3.35Å; L500-Y504 PolarHBondContact O-N 3.1Å; L500-Y504 VanDerWaalsContact O-N 3.15Å |
| 501 | M | 82.9 | Confident | 73.1 | Confident | 83.5 Ų | 83.5 | 63.6 Ų | 63.6 | 41% | 0.411 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 176.1 | -171 | 58.3 | 69.8 | 0 | 0 | 111.8 | E497 D498 K503 Y504 N505 M553 | E497-M501 PolarHBondContact O-N 3.3Å; D498-M501 PolarHBondContact O-N 3.42Å; M501-K503 VanDerWaalsContact C-N 3.28Å; M501-K503 PolarHBondContact O-N 2.99Å; M501-Y504 PolarHBondContact O-N 3.21Å; M501-Y504 VanDerWaalsContact O-N 3.13Å; M501-N505 PolarHBondContact O-N 3.1Å; M501-N505 PolarHBondContact O-ND2 2.71Å; M501-M553 HydrophobicContact CE-SD 4.48Å; M501-M553 HydrophobicContact SD-CE 4.45Å; M501-M553 HydrophobicContact SD-SD 3.94Å |
| 502 | N | 83.2 | Confident | 75.9 | Confident | 78.5 Ų | 78.5 | 59.3 Ų | 59.3 | 42% | 0.42 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.4 | -32.7 | 175.2 | -73.8 | -39.6 | 0 | 0 | 0 | 113.3 | D498 L500 L506 | D498-N502 WeakPolarHBondContact O-CB 3.25Å; D498-N502 VanDerWaalsContact O-CG 3.27Å; D498-N502 PolarHBondContact O-N 3.18Å; D498-N502 PolarHBondContact O-ND2 3.4Å; D498-N502 VanDerWaalsContact O-ND2 3.15Å; L500-N502 VanDerWaalsContact C-N 3.32Å; L500-N502 PolarHBondContact O-N 2.76Å; N502-L506 WeakPolarHBondContact O-CB 3.25Å; N502-L506 PolarHBondContact O-N 2.84Å |
| 503 | K | 86.3 | Confident | 78.5 | Confident | 42.5 Ų | 42.5 | 53.7 Ų | 53.7 | 19% | 0.185 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.5 | -39.7 | 173 | -67 | 162.4 | -174 | 157.4 | 0 | 112.1 | V470 H473 N499 L500 M501 L506 L507 | V470-K503 HydrophobicContact CG2-CB 3.82Å; H473-K503 PolarHBondContact NE2-NZ 2.98Å; N499-K503 WeakPolarHBondContact O-CD 3.07Å; N499-K503 WeakPolarHBondContact O-CG 3.43Å; N499-K503 PolarHBondContact O-N 3.45Å; N499-K503 WeakPolarHBondContact OD1-CE 3.34Å; N499-K503 PolarHBondContact OD1-NZ 3.24Å; L500-K503 HydrophobicContact CD1-CD 4.34Å; L500-K503 WeakPolarHBondContact O-CB 3.38Å; L500-K503 PolarHBondContact O-N 3.41Å; L500-K503 VanDerWaalsContact O-N 3.1Å; M501-K503 VanDerWaalsContact C-N 3.28Å; M501-K503 PolarHBondContact O-N 2.99Å; K503-L506 PolarHBondContact O-N 3.34Å; K503-L507 VanDerWaalsContact O-CB 3.3Å; K503-L507 WeakPolarHBondContact O-CB 3.33Å; K503-L507 PolarHBondContact O-N 2.75Å |
| 504 | Y | 89.3 | Confident | 81.3 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 4% | 0.043 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.6 | -42.3 | 173.6 | -75 | -66.6 | 0 | 0 | 0 | 111.8 | V470 P475 L500 M501 L507 L508 Q550 M553 L556 | V470-Y504 HydrophobicContact CG1-CD1 4.03Å; V470-Y504 HydrophobicContact CG1-CE1 3.35Å; V470-Y504 HydrophobicContact CG2-CD1 4.45Å; V470-Y504 HydrophobicContact CG2-CE1 4.41Å; P475-Y504 WeakPolarHBondContact CD-OH 3.48Å; L500-Y504 HydrophobicContact CD1-CE2 4.14Å; L500-Y504 HydrophobicContact CD2-CE2 4.03Å; L500-Y504 HydrophobicContact CG-CD2 4.12Å; L500-Y504 HydrophobicContact CG-CE2 3.68Å; L500-Y504 VanDerWaalsContact O-CD2 3.31Å; L500-Y504 WeakPolarHBondContact O-CD2 3.35Å; L500-Y504 PolarHBondContact O-N 3.1Å; L500-Y504 VanDerWaalsContact O-N 3.15Å; M501-Y504 PolarHBondContact O-N 3.21Å; M501-Y504 VanDerWaalsContact O-N 3.13Å; Y504-L507 PolarHBondContact O-N 3.11Å; Y504-L508 WeakPolarHBondContact O-CB 3.39Å; Y504-L508 PolarHBondContact O-N 3.3Å; Y504-Q550 HydrophobicContact CE1-CG 4.3Å; Y504-Q550 PolarHBondContact OH-NE2 2.85Å; Y504-M553 WeakPolarHBondContact CB-SD 3.45Å; Y504-M553 HydrophobicContact CD1-CG 4.11Å; Y504-M553 HydrophobicContact CD1-SD 4.48Å; Y504-M553 HydrophobicContact CD2-SD 4.38Å; Y504-M553 HydrophobicContact CE1-CG 4.46Å; Y504-M553 HydrophobicContact CG-CG 4.17Å; Y504-M553 HydrophobicContact CG-SD 3.9Å; Y504-L556 HydrophobicContact CD1-CD2 3.8Å; Y504-L556 HydrophobicContact CE1-CD2 4.44Å |
| 505 | N | 89.3 | Confident | 83.6 | Confident | 64.5 Ų | 64.5 | 46.7 Ų | 46.7 | 35% | 0.345 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.8 | -43.7 | 176.8 | -71.3 | -23.9 | 0 | 0 | 0 | 112.2 | M501 L507 L508 N509 | M501-N505 PolarHBondContact O-N 3.1Å; M501-N505 PolarHBondContact O-ND2 2.71Å; N505-L507 VanDerWaalsContact C-N 3.34Å; N505-L507 PolarHBondContact O-N 2.92Å; N505-L508 PolarHBondContact O-N 3.02Å; N505-N509 WeakPolarHBondContact O-CB 3.43Å; N505-N509 PolarHBondContact O-N 3.29Å |
| 506 | L | 92.6 | Very high | 85.9 | Confident | 7 Ų | 7 | 40.9 Ų | 40.9 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.2 | -46.9 | 171.8 | 175.5 | 60.7 | 0 | 0 | 0 | 111.1 | H427 V431 T466 N502 K503 N509 M510 | H427-L506 HydrophobicContact CB-CD1 3.96Å; H427-L506 HydrophobicContact CB-CD2 3.79Å; V431-L506 HydrophobicContact CG2-CD1 4.14Å; T466-L506 HydrophobicContact CG2-CD2 4.1Å; T466-L506 HydrophobicContact CG2-CG 4.3Å; N502-L506 WeakPolarHBondContact O-CB 3.25Å; N502-L506 PolarHBondContact O-N 2.84Å; K503-L506 PolarHBondContact O-N 3.34Å; L506-N509 PolarHBondContact O-N 3.17Å; L506-M510 HydrophobicContact CD1-CG 4.38Å; L506-M510 WeakPolarHBondContact O-CG 3.33Å; L506-M510 PolarHBondContact O-N 3.35Å |
| 507 | L | 93.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.2 | -42.8 | -179 | -167.5 | 56.8 | 0 | 0 | 0 | 112 | F463 T466 L467 V470 K503 Y504 N505 N509 M510 V511 L547 L556 | F463-L507 HydrophobicContact CD2-CD1 3.61Å; F463-L507 HydrophobicContact CE2-CD1 3.5Å; F463-L507 VanDerWaalsContact CE2-CD1 3.49Å; F463-L507 HydrophobicContact CZ-CD1 4.43Å; T466-L507 HydrophobicContact CG2-CB 4.08Å; T466-L507 HydrophobicContact CG2-CD1 4.24Å; L467-L507 HydrophobicContact CB-CD1 4.42Å; L467-L507 HydrophobicContact CD1-CD2 4.06Å; V470-L507 HydrophobicContact CB-CD2 4.49Å; V470-L507 HydrophobicContact CG2-CD2 4.32Å; K503-L507 VanDerWaalsContact O-CB 3.3Å; K503-L507 WeakPolarHBondContact O-CB 3.33Å; K503-L507 PolarHBondContact O-N 2.75Å; Y504-L507 PolarHBondContact O-N 3.11Å; N505-L507 VanDerWaalsContact C-N 3.34Å; N505-L507 PolarHBondContact O-N 2.92Å; L507-N509 PolarHBondContact O-N 3.2Å; L507-M510 WeakPolarHBondContact O-CB 3.46Å; L507-M510 PolarHBondContact O-N 3.17Å; L507-M510 VanDerWaalsContact O-N 3.16Å; L507-V511 WeakPolarHBondContact O-CG2 3.3Å; L507-V511 PolarHBondContact O-N 3.21Å; L507-L547 HydrophobicContact CD2-CD1 4.24Å; L507-L547 HydrophobicContact CD2-CD2 3.95Å; L507-L547 HydrophobicContact CG-CD1 4.36Å; L507-L556 HydrophobicContact CD2-CD2 4.3Å; L507-L556 HydrophobicContact CG-CD1 4.4Å |
| 508 | L | 94.4 | Very high | 89.8 | Confident | 14.5 Ų | 14.5 | 34.9 Ų | 34.9 | 8% | 0.076 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.5 | -47.5 | 173 | 177.3 | 62.6 | 0 | 0 | 0 | 111.5 | Y504 N505 M510 V511 R512 L556 E559 | Y504-L508 WeakPolarHBondContact O-CB 3.39Å; Y504-L508 PolarHBondContact O-N 3.3Å; N505-L508 PolarHBondContact O-N 3.02Å; L508-M510 VanDerWaalsContact C-N 3.29Å; L508-M510 PolarHBondContact O-N 3.13Å; L508-V511 PolarHBondContact O-N 3.21Å; L508-R512 WeakPolarHBondContact O-CG 3.38Å; L508-R512 PolarHBondContact O-N 3.07Å; L508-L556 HydrophobicContact CB-CD1 4.08Å; L508-L556 HydrophobicContact CD1-CB 4.43Å; L508-L556 HydrophobicContact CD1-CD1 4.26Å; L508-E559 HydrophobicContact CD1-CB 3.85Å; L508-E559 HydrophobicContact CD1-CG 4.01Å |
| 509 | N | 95.1 | Very high | 91.5 | Very high | 41.5 Ų | 41.5 | 32.2 Ų | 32.2 | 22% | 0.222 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.9 | -31.7 | 177.7 | -70.5 | -7.6 | 0 | 0 | 0 | 112 | V431 N505 L506 L507 R512 L513 | V431-N509 HydrophobicContact CG1-CB 3.69Å; V431-N509 VanDerWaalsContact CG1-O 3.25Å; V431-N509 WeakPolarHBondContact CG1-O 3.48Å; N505-N509 WeakPolarHBondContact O-CB 3.43Å; N505-N509 PolarHBondContact O-N 3.29Å; L506-N509 PolarHBondContact O-N 3.17Å; L507-N509 PolarHBondContact O-N 3.2Å; N509-R512 PolarHBondContact O-N 3.04Å; N509-L513 WeakPolarHBondContact O-CB 3.45Å; N509-L513 PolarHBondContact O-N 2.73Å |
| 510 | M | 96.6 | Very high | 92.6 | Very high | 0.5 Ų | 0.5 | 28 Ų | 28 | 0% | 0.002 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.7 | -35.9 | 172.8 | -71.8 | -163.7 | 80.4 | 0 | 0 | 113.1 | V431 I459 M462 F463 L506 L507 L508 L513 L514 M521 | V431-M510 HydrophobicContact CG1-CG 4.19Å; V431-M510 HydrophobicContact CG2-CG 3.64Å; V431-M510 HydrophobicContact CG2-SD 4.47Å; I459-M510 HydrophobicContact CG2-CE 4.21Å; I459-M510 WeakPolarHBondContact O-CE 3.33Å; M462-M510 HydrophobicContact CB-CE 4.21Å; M462-M510 HydrophobicContact CE-CE 3.47Å; M462-M510 VanDerWaalsContact CE-CE 3.47Å; M462-M510 HydrophobicContact CE-SD 3.83Å; M462-M510 HydrophobicContact CG-CE 4.32Å; M462-M510 HydrophobicContact CG-SD 4.26Å; F463-M510 HydrophobicContact CB-CE 3.71Å; F463-M510 HydrophobicContact CB-SD 4.17Å; F463-M510 HydrophobicContact CD2-CB 4.26Å; L506-M510 HydrophobicContact CD1-CG 4.38Å; L506-M510 WeakPolarHBondContact O-CG 3.33Å; L506-M510 PolarHBondContact O-N 3.35Å; L507-M510 WeakPolarHBondContact O-CB 3.46Å; L507-M510 PolarHBondContact O-N 3.17Å; L507-M510 VanDerWaalsContact O-N 3.16Å; L508-M510 VanDerWaalsContact C-N 3.29Å; L508-M510 PolarHBondContact O-N 3.13Å; M510-L513 PolarHBondContact O-N 2.98Å; M510-L514 PolarHBondContact O-N 3.19Å; M510-L514 VanDerWaalsContact O-N 3.09Å; M510-M521 HydrophobicContact CE-CE 4.1Å; M510-M521 WeakPolarHBondContact O-CE 3.44Å |
| 511 | V | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -71.7 | -37.6 | 174.3 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | F463 L507 L508 L513 L514 N515 L544 L547 L556 E559 A563 | F463-V511 HydrophobicContact CE2-CG2 4Å; L507-V511 WeakPolarHBondContact O-CG2 3.3Å; L507-V511 PolarHBondContact O-N 3.21Å; L508-V511 PolarHBondContact O-N 3.21Å; V511-L513 VanDerWaalsContact C-N 3.35Å; V511-L513 PolarHBondContact O-N 3Å; V511-L514 WeakPolarHBondContact O-CB 3.42Å; V511-L514 PolarHBondContact O-N 3.16Å; V511-L514 VanDerWaalsContact O-N 3.16Å; V511-N515 PolarHBondContact O-N 2.99Å; V511-L544 HydrophobicContact CG1-CD2 4.04Å; V511-L544 HydrophobicContact CG2-CD2 3.81Å; V511-L547 HydrophobicContact CG2-CD1 4.31Å; V511-L556 HydrophobicContact CG2-CD1 4.3Å; V511-E559 HydrophobicContact CB-CG 3.99Å; V511-E559 HydrophobicContact CG1-CB 4.2Å; V511-E559 HydrophobicContact CG1-CG 3.68Å; V511-E559 VanDerWaalsContact CG1-O 3.31Å; V511-E559 WeakPolarHBondContact CG1-O 3.46Å; V511-A563 HydrophobicContact CG1-CB 3.53Å |
| 512 | R | 97.2 | Very high | 93.8 | Very high | 83 Ų | 83 | 23.4 Ų | 23.4 | 31% | 0.313 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -58.7 | -43.3 | 169.6 | -76.5 | 173.2 | 175.5 | 165.3 | 1.3 | 113 | Y435 L508 N509 L514 N515 A516 E559 | Y435-R512 HydrophobicContact CD2-CB 4.27Å; Y435-R512 HydrophobicContact CE2-CB 3.93Å; L508-R512 WeakPolarHBondContact O-CG 3.38Å; L508-R512 PolarHBondContact O-N 3.07Å; N509-R512 PolarHBondContact O-N 3.04Å; R512-L514 VanDerWaalsContact C-N 3.31Å; R512-L514 PolarHBondContact O-N 2.74Å; R512-N515 WeakPolarHBondContact O-CB 3.43Å; R512-N515 PolarHBondContact O-N 3Å; R512-A516 WeakPolarHBondContact O-CB 3.41Å; R512-A516 PolarHBondContact O-N 3.3Å; R512-E559 HydrophobicContact CG-CG 3.88Å; R512-E559 WeakPolarHBondContact CG-OE1 3.43Å; R512-E559 WeakPolarHBondContact CG-OE2 3.42Å; R512-E559 IonicContact CZ-OE2 2.76Å; R512-E559 IonicContact NE-OE2 3.14Å; R512-E559 PolarHBondContact NE-OE2 2.79Å; R512-E559 IonicContact NH2-OE2 3.29Å; R512-E559 PolarHBondContact NH2-OE2 3.07Å |
| 513 | L | 97.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.4 | -38.5 | 175.5 | -178.7 | 62.3 | 0 | 0 | 0 | 112.1 | V431 L434 I438 N509 M510 V511 A516 N517 L520 | V431-L513 HydrophobicContact CG1-CB 4.22Å; V431-L513 HydrophobicContact CG1-CD2 4.15Å; V431-L513 HydrophobicContact CG2-CD2 4.46Å; L434-L513 HydrophobicContact CB-CD1 3.75Å; L434-L513 HydrophobicContact CB-CD2 4.05Å; L434-L513 HydrophobicContact CD1-CD2 4.02Å; I438-L513 HydrophobicContact CD1-CD1 3.58Å; N509-L513 WeakPolarHBondContact O-CB 3.45Å; N509-L513 PolarHBondContact O-N 2.73Å; M510-L513 PolarHBondContact O-N 2.98Å; V511-L513 VanDerWaalsContact C-N 3.35Å; V511-L513 PolarHBondContact O-N 3Å; L513-A516 PolarHBondContact O-N 3.37Å; L513-N517 PolarHBondContact O-N 3.28Å; L513-L520 HydrophobicContact CD1-CD1 3.64Å; L513-L520 HydrophobicContact CD2-CD1 4.12Å; L513-L520 HydrophobicContact CG-CD1 3.82Å |
| 514 | L | 97 | Very high | 94.2 | Very high | 1.5 Ų | 1.5 | 22.8 Ų | 22.8 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.7 | -41.1 | 174.3 | -179 | 66.9 | 0 | 0 | 0 | 112.3 | M510 V511 R512 N517 P518 M521 L540 L544 A563 L567 | M510-L514 PolarHBondContact O-N 3.19Å; M510-L514 VanDerWaalsContact O-N 3.09Å; V511-L514 WeakPolarHBondContact O-CB 3.42Å; V511-L514 PolarHBondContact O-N 3.16Å; V511-L514 VanDerWaalsContact O-N 3.16Å; R512-L514 VanDerWaalsContact C-N 3.31Å; R512-L514 PolarHBondContact O-N 2.74Å; L514-N517 CarbonylContact O-C 3.5Å; L514-P518 WeakPolarHBondContact O-CA 3.39Å; L514-M521 HydrophobicContact CB-CE 4.1Å; L514-M521 HydrophobicContact CB-SD 4.4Å; L514-M521 HydrophobicContact CD1-CB 3.71Å; L514-M521 HydrophobicContact CD1-CG 3.8Å; L514-M521 HydrophobicContact CD1-SD 3.94Å; L514-M521 HydrophobicContact CD2-SD 4.44Å; L514-L540 HydrophobicContact CD1-CD2 4.37Å; L514-L540 HydrophobicContact CD2-CD1 4.44Å; L514-L544 HydrophobicContact CD2-CD1 3.69Å; L514-L544 HydrophobicContact CD2-CD2 4.24Å; L514-L544 HydrophobicContact CD2-CG 4.49Å; L514-A563 HydrophobicContact CD2-CB 4.18Å; L514-L567 HydrophobicContact CD1-CD2 4.41Å; L514-L567 HydrophobicContact CD2-CD1 4.21Å |
| 515 | N | 95.3 | Very high | 93.6 | Very high | 32.5 Ų | 32.5 | 24.4 Ų | 24.4 | 17% | 0.174 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.2 | -44.6 | 172.7 | -96.4 | -31 | 0 | 0 | 0 | 111.8 | V511 R512 E559 D562 A563 | V511-N515 PolarHBondContact O-N 2.99Å; R512-N515 WeakPolarHBondContact O-CB 3.43Å; R512-N515 PolarHBondContact O-N 3Å; N515-E559 PolarHBondContact ND2-O 3.26Å; N515-E559 PolarHBondContact ND2-OE1 3.06Å; N515-D562 PolarHBondContact OD1-O 3.19Å; N515-A563 WeakPolarHBondContact OD1-CA 3.47Å; N515-A563 PolarHBondContact OD1-N 3.07Å |
| 516 | A | 95.7 | Very high | 92.8 | Very high | 27.5 Ų | 27.5 | 29.5 Ų | 29.5 | 23% | 0.227 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.7 | -33.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y435 I438 T439 R512 L513 | Y435-A516 HydrophobicContact CD2-CB 4.1Å; Y435-A516 HydrophobicContact CE2-CB 3.93Å; I438-A516 HydrophobicContact CG2-CB 3.89Å; T439-A516 HydrophobicContact CG2-CB 4.27Å; R512-A516 WeakPolarHBondContact O-CB 3.41Å; R512-A516 PolarHBondContact O-N 3.3Å; L513-A516 PolarHBondContact O-N 3.37Å |
| 517 | N | 95.9 | Very high | 91.6 | Very high | 32.5 Ų | 32.5 | 35.6 Ų | 35.6 | 17% | 0.174 | 19% | 0.186 | C | C | . | . | trans | -151.8 | 92.4 | 174.6 | -159.8 | -86.2 | 0 | 0 | 0 | 112.4 | I438 Y453 L513 L514 L519 L520 | I438-N517 HydrophobicContact CD1-CB 3.53Å; I438-N517 HydrophobicContact CG1-CB 4.14Å; I438-N517 HydrophobicContact CG2-CB 4.28Å; Y453-N517 VanDerWaalsContact CE1-OD1 3.3Å; Y453-N517 WeakPolarHBondContact CE1-OD1 3.33Å; Y453-N517 PolarHBondContact OH-ND2 3.31Å; Y453-N517 PolarHBondContact OH-OD1 2.91Å; L513-N517 PolarHBondContact O-N 3.28Å; L514-N517 CarbonylContact O-C 3.5Å; N517-L519 PolarHBondContact O-N 3.43Å; N517-L519 VanDerWaalsContact O-N 3.17Å; N517-L520 HydrophobicContact CB-CD1 4.45Å; N517-L520 HydrophobicContact CB-CG 4.42Å; N517-L520 WeakPolarHBondContact O-CB 3.38Å; N517-L520 PolarHBondContact O-N 3.39Å; N517-L520 VanDerWaalsContact O-N 3.13Å | ||
| 518 | P | 95.9 | Very high | 90.4 | Very high | 12.5 Ų | 12.5 | 40.2 Ų | 40.2 | 8% | 0.081 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -26.4 | -175.2 | 22.1 | -32.6 | 0 | 0 | 0 | 113.6 | L514 L520 M521 L522 L567 N572 | L514-P518 WeakPolarHBondContact O-CA 3.39Å; P518-L520 PolarHBondContact O-N 3Å; P518-M521 PolarHBondContact O-N 3.34Å; P518-M521 VanDerWaalsContact O-N 3.11Å; P518-L522 HydrophobicContact CB-CD1 4.35Å; P518-L522 WeakPolarHBondContact O-CG 3.33Å; P518-L522 PolarHBondContact O-N 2.96Å; P518-L567 HydrophobicContact CB-CD2 3.94Å; P518-N572 WeakPolarHBondContact CG-OD1 3.35Å |
| 519 | L | 94.5 | Very high | 89.6 | Confident | 38 Ų | 38 | 42 Ų | 42 | 20% | 0.199 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.5 | -24.3 | 177.8 | -173.1 | 58 | 0 | 0 | 0 | 112.8 | Y453 N517 M521 Y523 L575 | Y453-L519 HydrophobicContact CD1-CB 4.35Å; Y453-L519 HydrophobicContact CD1-CD2 4.4Å; Y453-L519 HydrophobicContact CD1-CG 3.89Å; Y453-L519 HydrophobicContact CD2-CD2 4.11Å; Y453-L519 HydrophobicContact CD2-CG 4.42Å; Y453-L519 HydrophobicContact CE1-CB 3.75Å; Y453-L519 HydrophobicContact CE1-CD2 4Å; Y453-L519 HydrophobicContact CE1-CG 3.66Å; Y453-L519 HydrophobicContact CE2-CD2 3.66Å; Y453-L519 HydrophobicContact CE2-CG 4.21Å; Y453-L519 HydrophobicContact CG-CD2 4.48Å; Y453-L519 HydrophobicContact CG-CG 4.29Å; N517-L519 PolarHBondContact O-N 3.43Å; N517-L519 VanDerWaalsContact O-N 3.17Å; L519-M521 PolarHBondContact O-N 2.99Å; L519-Y523 HydrophobicContact CD1-CD2 4.21Å; L519-Y523 VanDerWaalsContact O-CB 3.24Å; L519-Y523 WeakPolarHBondContact O-CB 3.37Å; L519-Y523 PolarHBondContact O-N 3.24Å; L519-L575 HydrophobicContact CB-CD1 4.5Å; L519-L575 HydrophobicContact CD1-CD1 4.16Å; L519-L575 HydrophobicContact CD1-CD2 4.31Å |
| 520 | L | 94.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.9 | -30.4 | 172.8 | -86.2 | -178.9 | 0 | 0 | 0 | 113.6 | I438 V449 F452 Y453 S456 I459 L513 N517 P518 | I438-L520 HydrophobicContact CD1-CD1 3.72Å; V449-L520 HydrophobicContact CG2-CD1 4.22Å; V449-L520 HydrophobicContact CG2-CD2 4Å; V449-L520 HydrophobicContact CG2-CG 4.36Å; F452-L520 HydrophobicContact CB-CD2 3.87Å; Y453-L520 HydrophobicContact CD1-CD2 4.01Å; Y453-L520 HydrophobicContact CD1-CG 4.47Å; Y453-L520 HydrophobicContact CE1-CD2 4.06Å; Y453-L520 HydrophobicContact CE1-CG 4.15Å; S456-L520 VanDerWaalsContact CA-O 3.26Å; S456-L520 WeakPolarHBondContact CA-O 3.33Å; S456-L520 WeakPolarHBondContact CB-O 3.44Å; S456-L520 PolarHBondContact OG-O 3.1Å; I459-L520 HydrophobicContact CD1-CD2 4.11Å; L513-L520 HydrophobicContact CD1-CD1 3.64Å; L513-L520 HydrophobicContact CD2-CD1 4.12Å; L513-L520 HydrophobicContact CG-CD1 3.82Å; N517-L520 HydrophobicContact CB-CD1 4.45Å; N517-L520 HydrophobicContact CB-CG 4.42Å; N517-L520 WeakPolarHBondContact O-CB 3.38Å; N517-L520 PolarHBondContact O-N 3.39Å; N517-L520 VanDerWaalsContact O-N 3.13Å; P518-L520 PolarHBondContact O-N 3Å |
| 521 | M | 95.2 | Very high | 88.3 | Confident | 0.5 Ų | 0.5 | 45.6 Ų | 45.6 | 0% | 0.002 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -111.5 | -20.4 | 178.8 | -56.4 | -160.8 | -165.1 | 0 | 0 | 113.7 | S456 I459 R460 M510 L514 P518 L519 L540 | S456-M521 VanDerWaalsContact OG-C 3.25Å; S456-M521 VanDerWaalsContact OG-CA 3.28Å; S456-M521 WeakPolarHBondContact OG-CA 3.38Å; S456-M521 PolarHBondContact OG-O 3Å; I459-M521 HydrophobicContact CG2-CE 3.89Å; I459-M521 HydrophobicContact CG2-CG 4.01Å; I459-M521 HydrophobicContact CG2-SD 4.36Å; R460-M521 WeakPolarHBondContact CD-O 3.32Å; R460-M521 HydrophobicContact CG-CB 3.84Å; R460-M521 HydrophobicContact CG-CG 4.32Å; R460-M521 HydrophobicContact CG-SD 4.45Å; R460-M521 PolarHBondContact NE-O 3.39Å; R460-M521 VanDerWaalsContact NE-O 3.1Å; M510-M521 HydrophobicContact CE-CE 4.1Å; M510-M521 WeakPolarHBondContact O-CE 3.44Å; L514-M521 HydrophobicContact CB-CE 4.1Å; L514-M521 HydrophobicContact CB-SD 4.4Å; L514-M521 HydrophobicContact CD1-CB 3.71Å; L514-M521 HydrophobicContact CD1-CG 3.8Å; L514-M521 HydrophobicContact CD1-SD 3.94Å; L514-M521 HydrophobicContact CD2-SD 4.44Å; P518-M521 PolarHBondContact O-N 3.34Å; P518-M521 VanDerWaalsContact O-N 3.11Å; L519-M521 PolarHBondContact O-N 2.99Å; M521-L540 HydrophobicContact CB-CD2 3.7Å; M521-L540 HydrophobicContact SD-CD1 3.88Å |
| 522 | L | 94 | Very high | 87.8 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -82.5 | -23.9 | 175 | -65.1 | -177.5 | 0 | 0 | 0 | 114 | P518 S524 T537 L540 L567 L575 | P518-L522 HydrophobicContact CB-CD1 4.35Å; P518-L522 WeakPolarHBondContact O-CG 3.33Å; P518-L522 PolarHBondContact O-N 2.96Å; L522-S524 PolarHBondContact O-N 3.26Å; L522-S524 VanDerWaalsContact O-N 3.13Å; L522-S524 PolarHBondContact O-OG 3.09Å; L522-T537 HydrophobicContact CD2-CG2 3.76Å; L522-L540 HydrophobicContact CD2-CD2 4.42Å; L522-L567 HydrophobicContact CD1-CD2 3.71Å; L522-L567 HydrophobicContact CD2-CD2 4.03Å; L522-L567 HydrophobicContact CG-CD2 3.97Å; L522-L575 HydrophobicContact CB-CB 4.18Å; L522-L575 HydrophobicContact CD1-CB 3.75Å; L522-L575 HydrophobicContact CD1-CD1 4.29Å |
| 523 | Y | 91.6 | Very high | 87.2 | Confident | 90 Ų | 90 | 46.3 Ų | 46.3 | 35% | 0.353 | 26% | 0.257 | S | S | . | . | trans | -58.3 | 120.6 | -174 | -178.2 | -88.8 | 0 | 0 | 0 | 112.6 | Y453 S456 L519 P525 | Y453-Y523 WeakPolarHBondContact O-CD1 3.44Å; S456-Y523 VanDerWaalsContact CB-O 3.28Å; S456-Y523 WeakPolarHBondContact CB-O 3.29Å; S456-Y523 PolarHBondContact OG-O 2.95Å; L519-Y523 HydrophobicContact CD1-CD2 4.21Å; L519-Y523 VanDerWaalsContact O-CB 3.24Å; L519-Y523 WeakPolarHBondContact O-CB 3.37Å; L519-Y523 PolarHBondContact O-N 3.24Å; Y523-P525 HydrophobicContact CE1-CG 4.08Å | ||
| 524 | S | 85.1 | Confident | 86.8 | Confident | 19 Ų | 19 | 47.1 Ų | 47.1 | 13% | 0.133 | 26% | 0.261 | C | S | . | . | trans | -122.8 | 122.4 | 177 | -67.8 | 0 | 0 | 0 | 0 | 109.7 | L522 A533 | L522-S524 PolarHBondContact O-N 3.26Å; L522-S524 VanDerWaalsContact O-N 3.13Å; L522-S524 PolarHBondContact O-OG 3.09Å; S524-A533 WeakPolarHBondContact OG-CB 3.38Å | ||
| 525 | P | 76.4 | Confident | 86.6 | Confident | 44 Ų | 44 | 52.5 Ų | 52.5 | 29% | 0.286 | 28% | 0.284 | S | S | . | . | trans | -61 | 142.5 | 176 | -21.8 | 32.3 | 0 | 0 | 0 | 111.9 | Y523 T527 R528 | Y523-P525 HydrophobicContact CE1-CG 4.08Å; P525-T527 PolarHBondContact O-N 2.96Å; P525-R528 PolarHBondContact O-N 3.41Å; P525-R528 VanDerWaalsContact O-N 3.09Å | ||
| 526 | Q | 72.2 | Confident | 86.5 | Confident | 171.5 Ų | 171.5 | 51.6 Ų | 51.6 | 80% | 0.801 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -12.3 | 177.2 | -63.3 | 179.5 | 1.6 | 0 | 0 | 114.2 | R528 | Q526-R528 VanDerWaalsContact C-N 3.3Š|
| 527 | T | 67.2 | Low | 86.5 | Confident | 136 Ų | 136 | 50.4 Ų | 50.4 | 83% | 0.834 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -1.7 | 176.7 | 58.7 | 0 | 0 | 0 | 0 | 114.1 | P525 | P525-T527 PolarHBondContact O-N 2.96Š|
| 528 | R | 69 | Low | 86.4 | Confident | 95.5 Ų | 95.5 | 51 Ų | 51 | 36% | 0.36 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -97.1 | 157.2 | 172.6 | -74.6 | -166.6 | 175.2 | 146.7 | 5.4 | 111.5 | T457 P525 Q526 D532 | T457-R528 PolarHBondContact OG1-NH1 3.34Å; T457-R528 PolarHBondContact OG1-NH2 3.38Å; P525-R528 PolarHBondContact O-N 3.41Å; P525-R528 VanDerWaalsContact O-N 3.09Å; Q526-R528 VanDerWaalsContact C-N 3.3Å; R528-D532 HydrophobicContact CB-CB 4.41Å |
| 529 | S | 79.1 | Confident | 86.4 | Confident | 52 Ų | 52 | 52.8 Ų | 52.8 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | trans | -66.1 | 147.3 | 172.8 | 84 | 0 | 0 | 0 | 0 | 110.9 | S531 D532 A533 | S529-S531 PolarHBondContact O-N 3.22Å; S529-S531 PolarHBondContact OG-N 3.37Å; S529-S531 PolarHBondContact OG-OG 3.19Å; S529-D532 WeakPolarHBondContact CB-OD2 3.36Å; S529-D532 PolarHBondContact N-OD2 3.36Å; S529-D532 PolarHBondContact O-N 3.07Å; S529-D532 VanDerWaalsContact O-N 3.1Å; S529-D532 PolarHBondContact OG-N 3.1Å; S529-D532 VanDerWaalsContact OG-N 3.11Å; S529-D532 PolarHBondContact OG-OD2 3.16Å; S529-A533 PolarHBondContact O-N 3.28Å | ||
| 530 | S | 78.9 | Confident | 86.5 | Confident | 38.5 Ų | 38.5 | 51 Ų | 51 | 27% | 0.269 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -51.8 | -38.9 | 173.2 | 175.6 | 0 | 0 | 0 | 0 | 111.8 | Q534 N577 S580 | S530-Q534 WeakPolarHBondContact O-CB 3.25Å; S530-Q534 PolarHBondContact O-N 3.23Å; S530-Q534 VanDerWaalsContact O-N 3.09Å; S530-N577 PolarHBondContact O-ND2 3.45Å; S530-N577 PolarHBondContact OG-ND2 3.11Å; S530-N577 PolarHBondContact OG-OD1 3.22Å; S530-N577 VanDerWaalsContact OG-OD1 3.12Å; S530-S580 PolarHBondContact OG-OG 3.12Å |
| 531 | S | 85.1 | Confident | 86.6 | Confident | 81 Ų | 81 | 51 Ų | 51 | 57% | 0.566 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -64.4 | -39.7 | 175.8 | 110.2 | 0 | 0 | 0 | 0 | 113.9 | S529 Q534 K535 | S529-S531 PolarHBondContact O-N 3.22Å; S529-S531 PolarHBondContact OG-N 3.37Å; S529-S531 PolarHBondContact OG-OG 3.19Å; S531-Q534 PolarHBondContact O-N 3.27Å; S531-K535 WeakPolarHBondContact O-CB 3.39Å; S531-K535 PolarHBondContact O-N 3.21Å |
| 532 | D | 86.3 | Confident | 86.6 | Confident | 87 Ų | 87 | 54.5 Ų | 54.5 | 47% | 0.465 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.8 | -39.1 | 180 | -64.1 | -52.3 | 0 | 0 | 0 | 112 | R528 S529 K535 A536 | R528-D532 HydrophobicContact CB-CB 4.41Å; S529-D532 WeakPolarHBondContact CB-OD2 3.36Å; S529-D532 PolarHBondContact N-OD2 3.36Å; S529-D532 PolarHBondContact O-N 3.07Å; S529-D532 VanDerWaalsContact O-N 3.1Å; S529-D532 PolarHBondContact OG-N 3.1Å; S529-D532 VanDerWaalsContact OG-N 3.11Å; S529-D532 PolarHBondContact OG-OD2 3.16Å; D532-K535 PolarHBondContact O-N 3.08Å; D532-A536 VanDerWaalsContact O-CB 3.25Å; D532-A536 WeakPolarHBondContact O-CB 3.36Å; D532-A536 PolarHBondContact O-N 2.91Å |
| 533 | A | 85.3 | Confident | 86.6 | Confident | 10.5 Ų | 10.5 | 54.8 Ų | 54.8 | 9% | 0.087 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S524 S529 K535 A536 T537 | S524-A533 WeakPolarHBondContact OG-CB 3.38Å; S529-A533 PolarHBondContact O-N 3.28Å; A533-K535 PolarHBondContact O-N 2.85Å; A533-A536 WeakPolarHBondContact O-CB 3.48Å; A533-A536 PolarHBondContact O-N 2.84Å; A533-T537 PolarHBondContact O-N 3.42Å; A533-T537 PolarHBondContact O-OG1 3.34Å |
| 534 | Q | 88.9 | Confident | 86.8 | Confident | 16.5 Ų | 16.5 | 50.5 Ų | 50.5 | 8% | 0.077 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63 | -43.2 | 176.9 | -172.9 | 171 | -58.6 | 0 | 0 | 112.1 | S530 S531 T537 F538 N577 A584 E587 I588 | S530-Q534 WeakPolarHBondContact O-CB 3.25Å; S530-Q534 PolarHBondContact O-N 3.23Å; S530-Q534 VanDerWaalsContact O-N 3.09Å; S531-Q534 PolarHBondContact O-N 3.27Å; Q534-T537 PolarHBondContact O-N 3.09Å; Q534-F538 PolarHBondContact O-N 3.25Å; Q534-N577 HydrophobicContact CB-CB 4.49Å; Q534-N577 PolarHBondContact OE1-ND2 3.17Å; Q534-N577 VanDerWaalsContact OE1-ND2 3.08Å; Q534-A584 HydrophobicContact CG-CB 3.88Å; Q534-E587 PolarHBondContact NE2-OE1 2.83Å; Q534-E587 PolarHBondContact NE2-OE2 3.02Å; Q534-I588 HydrophobicContact CG-CD1 4.11Å; Q534-I588 HydrophobicContact CG-CG1 4.48Å |
| 535 | K | 92 | Very high | 87.1 | Confident | 116 Ų | 116 | 49.7 Ų | 49.7 | 50% | 0.504 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 175.1 | -169.6 | -165.4 | 179.6 | -56 | 0 | 111.6 | S531 D532 A533 T537 F538 D539 | S531-K535 WeakPolarHBondContact O-CB 3.39Å; S531-K535 PolarHBondContact O-N 3.21Å; D532-K535 PolarHBondContact O-N 3.08Å; A533-K535 PolarHBondContact O-N 2.85Å; K535-T537 VanDerWaalsContact C-N 3.29Å; K535-T537 PolarHBondContact O-N 2.96Å; K535-F538 WeakPolarHBondContact O-CB 3.37Å; K535-F538 PolarHBondContact O-N 2.88Å; K535-F538 VanDerWaalsContact O-N 3.14Å; K535-D539 IonicContact NZ-OD1 2.95Å; K535-D539 PolarHBondContact NZ-OD1 3.05Å; K535-D539 IonicContact NZ-OD2 2.74Å; K535-D539 PolarHBondContact NZ-OD2 3.17Å; K535-D539 VanDerWaalsContact O-CG 3.24Å; K535-D539 PolarHBondContact O-N 3.17Å |
| 536 | A | 93.2 | Very high | 87.8 | Confident | 12.5 Ų | 12.5 | 49.2 Ų | 49.2 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.6 | -37.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D532 A533 L540 | D532-A536 VanDerWaalsContact O-CB 3.25Å; D532-A536 WeakPolarHBondContact O-CB 3.36Å; D532-A536 PolarHBondContact O-N 2.91Å; A533-A536 WeakPolarHBondContact O-CB 3.48Å; A533-A536 PolarHBondContact O-N 2.84Å; A536-L540 WeakPolarHBondContact O-CB 3.43Å; A536-L540 PolarHBondContact O-N 3.16Å |
| 537 | T | 94.8 | Very high | 88.6 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67 | -43.3 | 172.9 | -60 | 0 | 0 | 0 | 0 | 111.7 | L522 A533 Q534 K535 L540 M541 W576 I588 | L522-T537 HydrophobicContact CD2-CG2 3.76Å; A533-T537 PolarHBondContact O-N 3.42Å; A533-T537 PolarHBondContact O-OG1 3.34Å; Q534-T537 PolarHBondContact O-N 3.09Å; K535-T537 VanDerWaalsContact C-N 3.29Å; K535-T537 PolarHBondContact O-N 2.96Å; T537-L540 PolarHBondContact O-N 3.31Å; T537-M541 HydrophobicContact CG2-CE 3.41Å; T537-M541 VanDerWaalsContact CG2-CE 3.44Å; T537-M541 HydrophobicContact CG2-SD 4.29Å; T537-M541 WeakPolarHBondContact O-CG 3.38Å; T537-M541 PolarHBondContact O-N 3.34Å; T537-M541 VanDerWaalsContact O-N 3.07Å; T537-W576 HydrophobicContact CG2-CB 3.89Å; T537-W576 HydrophobicContact CG2-CD2 4.34Å; T537-W576 HydrophobicContact CG2-CG 3.83Å; T537-W576 PolarHBondContact OG1-O 3.17Å; T537-W576 VanDerWaalsContact OG1-O 3.09Å; T537-I588 HydrophobicContact CG2-CD1 3.94Å |
| 538 | F | 95.4 | Very high | 89.7 | Confident | 45 Ų | 45 | 34.7 Ų | 34.7 | 20% | 0.197 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.2 | -47.8 | 175.5 | 177.3 | -101 | 0 | 0 | 0 | 112.5 | Q534 K535 L540 M541 N542 I588 Q591 | Q534-F538 PolarHBondContact O-N 3.25Å; K535-F538 WeakPolarHBondContact O-CB 3.37Å; K535-F538 PolarHBondContact O-N 2.88Å; K535-F538 VanDerWaalsContact O-N 3.14Å; F538-L540 VanDerWaalsContact C-N 3.3Å; F538-L540 PolarHBondContact O-N 2.83Å; F538-M541 PolarHBondContact O-N 3.19Å; F538-N542 HydrophobicContact CE1-CB 4.37Å; F538-N542 HydrophobicContact CZ-CB 4.32Å; F538-N542 VanDerWaalsContact O-CB 3.29Å; F538-N542 WeakPolarHBondContact O-CB 3.37Å; F538-N542 PolarHBondContact O-N 3.24Å; F538-I588 HydrophobicContact CB-CD1 4.2Å; F538-I588 HydrophobicContact CB-CG1 4.11Å; F538-I588 HydrophobicContact CD2-CG1 4.29Å; F538-I588 HydrophobicContact CD2-CG2 4.24Å; F538-Q591 HydrophobicContact CE2-CB 3.84Å; F538-Q591 HydrophobicContact CE2-CG 4.3Å; F538-Q591 HydrophobicContact CZ-CB 4.43Å |
| 539 | D | 95.4 | Very high | 90.2 | Very high | 51.5 Ų | 51.5 | 33.2 Ų | 33.2 | 28% | 0.275 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.3 | -41.6 | -179.9 | -65.2 | -27.8 | 0 | 0 | 0 | 111 | L464 K535 G543 | L464-D539 HydrophobicContact CD1-CB 4.47Å; K535-D539 IonicContact NZ-OD1 2.95Å; K535-D539 PolarHBondContact NZ-OD1 3.05Å; K535-D539 IonicContact NZ-OD2 2.74Å; K535-D539 PolarHBondContact NZ-OD2 3.17Å; K535-D539 VanDerWaalsContact O-CG 3.24Å; K535-D539 PolarHBondContact O-N 3.17Å; D539-G543 PolarHBondContact O-N 3.19Å |
| 540 | L | 96.5 | Very high | 89.9 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.6 | -52.5 | 174.6 | 173.8 | 65.1 | 0 | 0 | 0 | 111.9 | R460 F463 L514 M521 L522 A536 T537 F538 G543 L544 | R460-L540 HydrophobicContact CG-CD1 4.46Å; F463-L540 HydrophobicContact CD1-CD1 3.71Å; F463-L540 HydrophobicContact CE1-CD1 3.76Å; F463-L540 HydrophobicContact CG-CD1 4.4Å; F463-L540 HydrophobicContact CZ-CD1 4.47Å; L514-L540 HydrophobicContact CD1-CD2 4.37Å; L514-L540 HydrophobicContact CD2-CD1 4.44Å; M521-L540 HydrophobicContact CB-CD2 3.7Å; M521-L540 HydrophobicContact SD-CD1 3.88Å; L522-L540 HydrophobicContact CD2-CD2 4.42Å; A536-L540 WeakPolarHBondContact O-CB 3.43Å; A536-L540 PolarHBondContact O-N 3.16Å; T537-L540 PolarHBondContact O-N 3.31Å; F538-L540 VanDerWaalsContact C-N 3.3Å; F538-L540 PolarHBondContact O-N 2.83Å; L540-G543 WeakPolarHBondContact O-CA 3.35Å; L540-G543 PolarHBondContact O-N 2.89Å; L540-G543 VanDerWaalsContact O-N 3.14Å; L540-L544 PolarHBondContact O-N 2.96Å; L540-L544 VanDerWaalsContact O-N 3.08Å |
| 541 | M | 96.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.6 | -37.6 | -177.8 | -68.7 | -177.2 | -168.4 | 0 | 0 | 112.8 | T537 F538 G543 L544 M545 L564 L567 W576 I588 L592 | T537-M541 HydrophobicContact CG2-CE 3.41Å; T537-M541 VanDerWaalsContact CG2-CE 3.44Å; T537-M541 HydrophobicContact CG2-SD 4.29Å; T537-M541 WeakPolarHBondContact O-CG 3.38Å; T537-M541 PolarHBondContact O-N 3.34Å; T537-M541 VanDerWaalsContact O-N 3.07Å; F538-M541 PolarHBondContact O-N 3.19Å; M541-G543 VanDerWaalsContact C-N 3.26Å; M541-G543 PolarHBondContact O-N 3.23Å; M541-L544 PolarHBondContact O-N 3.09Å; M541-M545 VanDerWaalsContact O-CB 3.3Å; M541-M545 WeakPolarHBondContact O-CB 3.37Å; M541-M545 PolarHBondContact O-N 3.18Å; M541-L564 HydrophobicContact CB-CD2 3.83Å; M541-L564 HydrophobicContact CG-CD2 3.99Å; M541-L567 HydrophobicContact CE-CB 3.97Å; M541-L567 HydrophobicContact CE-CD1 4.1Å; M541-L567 HydrophobicContact CE-CD2 4.46Å; M541-L567 HydrophobicContact CE-CG 4.43Å; M541-L567 HydrophobicContact CG-CD1 3.97Å; M541-W576 HydrophobicContact CE-CD2 3.71Å; M541-W576 HydrophobicContact CE-CE3 4.4Å; M541-W576 HydrophobicContact CE-CG 4.07Å; M541-W576 HydrophobicContact CE-CH2 4.2Å; M541-W576 HydrophobicContact CE-CZ2 3.48Å; M541-W576 VanDerWaalsContact CE-CZ2 3.45Å; M541-W576 VanDerWaalsContact CE-NE1 3.27Å; M541-W576 HydrophobicContact SD-CH2 4.21Å; M541-W576 HydrophobicContact SD-CZ2 4Å; M541-I588 HydrophobicContact SD-CG2 3.69Å; M541-L592 HydrophobicContact CB-CD1 3.76Å; M541-L592 HydrophobicContact CB-CD2 4.06Å; M541-L592 HydrophobicContact CG-CD1 4.34Å; M541-L592 HydrophobicContact SD-CD1 3.73Å |
| 542 | N | 94.7 | Very high | 88.9 | Confident | 74 Ų | 74 | 33.8 Ų | 33.8 | 40% | 0.396 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.3 | -31.8 | 173.8 | -172.2 | 54.3 | 0 | 0 | 0 | 111.4 | F538 M545 S546 | F538-N542 HydrophobicContact CE1-CB 4.37Å; F538-N542 HydrophobicContact CZ-CB 4.32Å; F538-N542 VanDerWaalsContact O-CB 3.29Å; F538-N542 WeakPolarHBondContact O-CB 3.37Å; F538-N542 PolarHBondContact O-N 3.24Å; N542-M545 PolarHBondContact O-N 3.48Å; N542-S546 PolarHBondContact O-N 2.89Å |
| 543 | G | 94.5 | Very high | 88.5 | Confident | 6.5 Ų | 6.5 | 31.5 Ų | 31.5 | 7% | 0.067 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59 | -53.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L467 D539 L540 M541 M545 S546 | L467-G543 VanDerWaalsContact CD2-CA 3.43Å; D539-G543 PolarHBondContact O-N 3.19Å; L540-G543 WeakPolarHBondContact O-CA 3.35Å; L540-G543 PolarHBondContact O-N 2.89Å; L540-G543 VanDerWaalsContact O-N 3.14Å; M541-G543 VanDerWaalsContact C-N 3.26Å; M541-G543 PolarHBondContact O-N 3.23Å; G543-M545 VanDerWaalsContact C-N 3.31Å; G543-M545 PolarHBondContact O-N 3.13Å; G543-S546 WeakPolarHBondContact O-CB 3.41Å; G543-S546 PolarHBondContact O-N 3.42Å; G543-S546 VanDerWaalsContact O-N 3.08Å; G543-S546 PolarHBondContact O-OG 2.89Å |
| 544 | L | 95.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.5 | -41 | 174.8 | -63 | 167 | 0 | 0 | 0 | 112.3 | F463 V511 L514 L540 M541 S546 L547 A560 A563 L564 L567 | F463-L544 HydrophobicContact CE2-CD2 4.16Å; F463-L544 HydrophobicContact CZ-CD2 3.77Å; F463-L544 HydrophobicContact CZ-CG 4.14Å; V511-L544 HydrophobicContact CG1-CD2 4.04Å; V511-L544 HydrophobicContact CG2-CD2 3.81Å; L514-L544 HydrophobicContact CD2-CD1 3.69Å; L514-L544 HydrophobicContact CD2-CD2 4.24Å; L514-L544 HydrophobicContact CD2-CG 4.49Å; L540-L544 PolarHBondContact O-N 2.96Å; L540-L544 VanDerWaalsContact O-N 3.08Å; M541-L544 PolarHBondContact O-N 3.09Å; L544-S546 PolarHBondContact O-N 3.17Å; L544-S546 VanDerWaalsContact O-N 3.14Å; L544-L547 WeakPolarHBondContact O-CB 3.36Å; L544-L547 PolarHBondContact O-N 3.21Å; L544-A560 HydrophobicContact CD2-CB 4.4Å; L544-A563 HydrophobicContact CD1-CB 4.25Å; L544-A563 HydrophobicContact CD2-CB 4.39Å; L544-L564 HydrophobicContact CB-CD1 3.81Å; L544-L564 HydrophobicContact CB-CD2 4.06Å; L544-L564 HydrophobicContact CB-CG 3.76Å; L544-L564 HydrophobicContact CD1-CD2 4.01Å; L544-L564 HydrophobicContact CD1-CG 3.99Å; L544-L567 HydrophobicContact CD1-CD1 3.76Å |
| 545 | M | 92 | Very high | 88.3 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.8 | -17.3 | 177.3 | -178.1 | 59.3 | 71.5 | 0 | 0 | 113.5 | M541 N542 G543 I548 L564 L592 I596 K599 W614 | M541-M545 VanDerWaalsContact O-CB 3.3Å; M541-M545 WeakPolarHBondContact O-CB 3.37Å; M541-M545 PolarHBondContact O-N 3.18Å; N542-M545 PolarHBondContact O-N 3.48Å; G543-M545 VanDerWaalsContact C-N 3.31Å; G543-M545 PolarHBondContact O-N 3.13Å; M545-I548 HydrophobicContact CE-CD1 4.4Å; M545-I548 HydrophobicContact SD-CD1 3.96Å; M545-L564 HydrophobicContact CB-CD1 4.47Å; M545-L564 HydrophobicContact CE-CD1 4.3Å; M545-L592 HydrophobicContact CB-CD2 4.22Å; M545-L592 HydrophobicContact CE-CB 3.82Å; M545-L592 HydrophobicContact CE-CD2 4.16Å; M545-L592 WeakPolarHBondContact CE-O 3.42Å; M545-L592 HydrophobicContact CG-CD2 4.4Å; M545-I596 HydrophobicContact CE-CB 4.19Å; M545-I596 HydrophobicContact SD-CB 3.83Å; M545-I596 HydrophobicContact SD-CD1 4.01Å; M545-I596 HydrophobicContact SD-CG1 4.39Å; M545-K599 PolarHBondContact O-NZ 3.14Å; M545-W614 HydrophobicContact CE-CH2 3.97Å |
| 546 | S | 90.2 | Very high | 88.3 | Confident | 35 Ų | 35 | 32.6 Ų | 32.6 | 25% | 0.245 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -77.8 | -31.5 | 170.5 | 78 | 0 | 0 | 0 | 0 | 112.9 | N542 G543 L544 | N542-S546 PolarHBondContact O-N 2.89Å; G543-S546 WeakPolarHBondContact O-CB 3.41Å; G543-S546 PolarHBondContact O-N 3.42Å; G543-S546 VanDerWaalsContact O-N 3.08Å; G543-S546 PolarHBondContact O-OG 2.89Å; L544-S546 PolarHBondContact O-N 3.17Å; L544-S546 VanDerWaalsContact O-N 3.14Å |
| 547 | L | 90.4 | Very high | 88.2 | Confident | 1.5 Ų | 1.5 | 32.2 Ų | 32.2 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -73.9 | -29.3 | -175 | -64.5 | 177.2 | 0 | 0 | 0 | 113.8 | L467 L507 V511 L544 Q549 Q550 L556 A560 | L467-L547 HydrophobicContact CD1-CD1 4.45Å; L467-L547 HydrophobicContact CD1-CD2 3.55Å; L467-L547 VanDerWaalsContact CD1-CD2 3.5Å; L467-L547 HydrophobicContact CD1-CG 4Å; L507-L547 HydrophobicContact CD2-CD1 4.24Å; L507-L547 HydrophobicContact CD2-CD2 3.95Å; L507-L547 HydrophobicContact CG-CD1 4.36Å; V511-L547 HydrophobicContact CG2-CD1 4.31Å; L544-L547 WeakPolarHBondContact O-CB 3.36Å; L544-L547 PolarHBondContact O-N 3.21Å; L547-Q549 PolarHBondContact O-N 3.3Å; L547-Q550 WeakPolarHBondContact O-CB 3.34Å; L547-Q550 PolarHBondContact O-N 3.25Å; L547-L556 HydrophobicContact CD1-CD1 4.12Å; L547-L556 HydrophobicContact CD1-CG 4.31Å; L547-L556 HydrophobicContact CD2-CD2 4.09Å; L547-L556 HydrophobicContact CD2-CG 4.45Å; L547-A560 HydrophobicContact CB-CB 3.81Å; L547-A560 HydrophobicContact CD1-CB 4.2Å |
| 548 | I | 88.9 | Confident | 88.2 | Confident | 0.5 Ų | 0.5 | 35.9 Ų | 35.9 | 0% | 0.003 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -26 | 178.2 | -56.5 | 179.9 | 0 | 0 | 0 | 112.4 | M545 M561 L564 I596 V611 W614 | M545-I548 HydrophobicContact CE-CD1 4.4Å; M545-I548 HydrophobicContact SD-CD1 3.96Å; I548-M561 HydrophobicContact CD1-CG 3.89Å; I548-M561 HydrophobicContact CG1-CG 3.86Å; I548-M561 HydrophobicContact CG2-CG 4.11Å; I548-M561 HydrophobicContact CG2-SD 4.14Å; I548-L564 HydrophobicContact CD1-CD1 3.88Å; I548-I596 HydrophobicContact CD1-CD1 4.43Å; I548-I596 HydrophobicContact CG2-CD1 4.11Å; I548-V611 HydrophobicContact CG2-CG1 4.31Å; I548-V611 HydrophobicContact CG2-CG2 3.64Å; I548-W614 HydrophobicContact CD1-CH2 3.81Å; I548-W614 HydrophobicContact CD1-CZ2 4.19Å; I548-W614 HydrophobicContact CD1-CZ3 4.05Å |
| 549 | Q | 79.6 | Confident | 88.2 | Confident | 64 Ų | 64 | 35.4 Ų | 35.4 | 30% | 0.299 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -5.5 | -179.6 | -59.6 | -171.8 | -99.3 | 0 | 0 | 114.6 | L547 S551 K599 I605 | L547-Q549 PolarHBondContact O-N 3.3Å; Q549-S551 PolarHBondContact O-N 2.95Å; Q549-S551 VanDerWaalsContact O-N 3.09Å; Q549-K599 HydrophobicContact CG-CD 4.03Å; Q549-K599 VanDerWaalsContact OE1-CD 3.26Å; Q549-I605 HydrophobicContact CG-CG1 4.37Å |
| 550 | Q | 74.4 | Confident | 88.2 | Confident | 34.5 Ų | 34.5 | 32.9 Ų | 32.9 | 16% | 0.161 | 19% | 0.185 | C | C | . | . | trans | -81.9 | 97.1 | -168.7 | -121.8 | 124.5 | -30.1 | 0 | 0 | 112.3 | N471 Y504 L547 I552 M553 | N471-Q550 PolarHBondContact OD1-NE2 3.28Å; N471-Q550 VanDerWaalsContact OD1-NE2 3.08Å; Y504-Q550 HydrophobicContact CE1-CG 4.3Å; Y504-Q550 PolarHBondContact OH-NE2 2.85Å; L547-Q550 WeakPolarHBondContact O-CB 3.34Å; L547-Q550 PolarHBondContact O-N 3.25Å; Q550-I552 VanDerWaalsContact C-N 3.28Å; Q550-I552 PolarHBondContact O-N 3.29Å; Q550-M553 PolarHBondContact O-N 3.07Å | ||
| 551 | S | 69 | Low | 88.2 | Confident | 81.5 Ų | 81.5 | 32.9 Ų | 32.9 | 57% | 0.57 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 15.2 | -177.2 | 73.6 | 0 | 0 | 0 | 0 | 115.5 | Q549 R1169 | Q549-S551 PolarHBondContact O-N 2.95Å; Q549-S551 VanDerWaalsContact O-N 3.09Å; S551-R1169 PolarHBondContact OG-NH1 3.12Å |
| 552 | I | 73.2 | Confident | 88.2 | Confident | 67.5 Ų | 67.5 | 35.9 Ų | 35.9 | 35% | 0.346 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -31.9 | 176.6 | -62.6 | 137.7 | 0 | 0 | 0 | 111.1 | P475 Q550 | P475-I552 HydrophobicContact CB-CD1 3.72Å; P475-I552 HydrophobicContact CG-CB 4.39Å; P475-I552 HydrophobicContact CG-CD1 3.57Å; P475-I552 HydrophobicContact CG-CG1 3.63Å; P475-I552 HydrophobicContact CG-CG2 4.37Å; Q550-I552 VanDerWaalsContact C-N 3.28Å; Q550-I552 PolarHBondContact O-N 3.29Å |
| 553 | M | 76.9 | Confident | 88.4 | Confident | 40 Ų | 40 | 32.4 Ų | 32.4 | 20% | 0.197 | 18% | 0.183 | C | C | . | . | trans | -133.3 | 93 | 178.3 | -67.5 | -130.1 | 74.9 | 0 | 0 | 109.4 | M501 Y504 Q550 D555 L556 A557 | M501-M553 HydrophobicContact CE-SD 4.48Å; M501-M553 HydrophobicContact SD-CE 4.45Å; M501-M553 HydrophobicContact SD-SD 3.94Å; Y504-M553 WeakPolarHBondContact CB-SD 3.45Å; Y504-M553 HydrophobicContact CD1-CG 4.11Å; Y504-M553 HydrophobicContact CD1-SD 4.48Å; Y504-M553 HydrophobicContact CD2-SD 4.38Å; Y504-M553 HydrophobicContact CE1-CG 4.46Å; Y504-M553 HydrophobicContact CG-CG 4.17Å; Y504-M553 HydrophobicContact CG-SD 3.9Å; Q550-M553 PolarHBondContact O-N 3.07Å; M553-D555 PolarHBondContact O-N 2.98Å; M553-L556 HydrophobicContact CB-CB 3.98Å; M553-L556 PolarHBondContact O-N 3Å; M553-A557 PolarHBondContact O-N 3.03Å | ||
| 554 | S | 83.9 | Confident | 88.5 | Confident | 85 Ų | 85 | 32.1 Ų | 32.1 | 59% | 0.594 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -48.1 | -45.8 | 173.3 | 37.6 | 0 | 0 | 0 | 0 | 112.1 | L556 A557 Q558 | S554-L556 VanDerWaalsContact C-N 3.32Å; S554-L556 PolarHBondContact O-N 3.19Å; S554-A557 WeakPolarHBondContact O-CB 3.43Å; S554-A557 PolarHBondContact O-N 3.06Å; S554-A557 VanDerWaalsContact O-N 3.11Å; S554-Q558 PolarHBondContact O-N 3.01Å |
| 555 | D | 87.8 | Confident | 88.7 | Confident | 79 Ų | 79 | 33.7 Ų | 33.7 | 42% | 0.422 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.6 | -36.2 | -173.1 | -53 | 20 | 0 | 0 | 0 | 110.8 | K136 M553 E559 | K136-D555 IonicContact NZ-OD2 3.88Å; K136-D555 PolarHBondContact NZ-OD2 2.62Å; M553-D555 PolarHBondContact O-N 2.98Å; D555-E559 VanDerWaalsContact O-CB 3.26Å; D555-E559 WeakPolarHBondContact O-CB 3.32Å; D555-E559 PolarHBondContact O-N 3.17Å |
| 556 | L | 91.8 | Very high | 88.9 | Confident | 1.5 Ų | 1.5 | 34.9 Ų | 34.9 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -74 | -37.1 | 175.5 | -180 | 62.5 | 0 | 0 | 0 | 112.5 | Y504 L507 L508 V511 L547 M553 S554 A560 | Y504-L556 HydrophobicContact CD1-CD2 3.8Å; Y504-L556 HydrophobicContact CE1-CD2 4.44Å; L507-L556 HydrophobicContact CD2-CD2 4.3Å; L507-L556 HydrophobicContact CG-CD1 4.4Å; L508-L556 HydrophobicContact CB-CD1 4.08Å; L508-L556 HydrophobicContact CD1-CB 4.43Å; L508-L556 HydrophobicContact CD1-CD1 4.26Å; V511-L556 HydrophobicContact CG2-CD1 4.3Å; L547-L556 HydrophobicContact CD1-CD1 4.12Å; L547-L556 HydrophobicContact CD1-CG 4.31Å; L547-L556 HydrophobicContact CD2-CD2 4.09Å; L547-L556 HydrophobicContact CD2-CG 4.45Å; M553-L556 HydrophobicContact CB-CB 3.98Å; M553-L556 PolarHBondContact O-N 3Å; S554-L556 VanDerWaalsContact C-N 3.32Å; S554-L556 PolarHBondContact O-N 3.19Å; L556-A560 VanDerWaalsContact O-CB 3.24Å; L556-A560 WeakPolarHBondContact O-CB 3.42Å; L556-A560 PolarHBondContact O-N 3.34Å |
| 557 | A | 91.6 | Very high | 89.3 | Confident | 3.5 Ų | 3.5 | 33.3 Ų | 33.3 | 3% | 0.029 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.5 | -38.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | M553 S554 M561 | M553-A557 PolarHBondContact O-N 3.03Å; S554-A557 WeakPolarHBondContact O-CB 3.43Å; S554-A557 PolarHBondContact O-N 3.06Å; S554-A557 VanDerWaalsContact O-N 3.11Å; A557-M561 WeakPolarHBondContact O-CG 3.4Å; A557-M561 PolarHBondContact O-N 3.2Å; A557-M561 VanDerWaalsContact O-N 3.14Å |
| 558 | Q | 93.6 | Very high | 89.6 | Confident | 81 Ų | 81 | 33.4 Ų | 33.4 | 38% | 0.379 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.6 | -54 | 174.2 | -177.8 | 56.8 | 46.7 | 0 | 0 | 111.4 | S554 A560 M561 D562 | S554-Q558 PolarHBondContact O-N 3.01Å; Q558-A560 PolarHBondContact O-N 3.07Å; Q558-A560 VanDerWaalsContact O-N 3.16Å; Q558-M561 WeakPolarHBondContact O-CA 3.28Å; Q558-M561 WeakPolarHBondContact O-CB 3.24Å; Q558-M561 PolarHBondContact O-N 3.05Å; Q558-M561 VanDerWaalsContact OE1-CE 3.27Å; Q558-D562 VanDerWaalsContact NE2-CG 3.28Å; Q558-D562 PolarHBondContact NE2-OD1 3.2Å; Q558-D562 VanDerWaalsContact NE2-OD1 3.12Å; Q558-D562 PolarHBondContact NE2-OD2 3.36Å; Q558-D562 PolarHBondContact O-N 3.44Å |
| 559 | E | 94.7 | Very high | 90 | Very high | 33.5 Ų | 33.5 | 36.5 Ų | 36.5 | 16% | 0.157 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.5 | -35.4 | 179.2 | -165.5 | 85.5 | -131.5 | 0 | 0 | 111.9 | L508 V511 R512 N515 D555 D562 A563 | L508-E559 HydrophobicContact CD1-CB 3.85Å; L508-E559 HydrophobicContact CD1-CG 4.01Å; V511-E559 HydrophobicContact CB-CG 3.99Å; V511-E559 HydrophobicContact CG1-CB 4.2Å; V511-E559 HydrophobicContact CG1-CG 3.68Å; V511-E559 VanDerWaalsContact CG1-O 3.31Å; V511-E559 WeakPolarHBondContact CG1-O 3.46Å; R512-E559 HydrophobicContact CG-CG 3.88Å; R512-E559 WeakPolarHBondContact CG-OE1 3.43Å; R512-E559 WeakPolarHBondContact CG-OE2 3.42Å; R512-E559 IonicContact CZ-OE2 2.76Å; R512-E559 IonicContact NE-OE2 3.14Å; R512-E559 PolarHBondContact NE-OE2 2.79Å; R512-E559 IonicContact NH2-OE2 3.29Å; R512-E559 PolarHBondContact NH2-OE2 3.07Å; N515-E559 PolarHBondContact ND2-O 3.26Å; N515-E559 PolarHBondContact ND2-OE1 3.06Å; D555-E559 VanDerWaalsContact O-CB 3.26Å; D555-E559 WeakPolarHBondContact O-CB 3.32Å; D555-E559 PolarHBondContact O-N 3.17Å; E559-D562 PolarHBondContact O-N 3.01Å; E559-A563 VanDerWaalsContact O-CB 3.31Å; E559-A563 WeakPolarHBondContact O-CB 3.38Å; E559-A563 PolarHBondContact O-N 3.16Å |
| 560 | A | 95.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -71.3 | -32.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L544 L547 L556 Q558 L564 | L544-A560 HydrophobicContact CD2-CB 4.4Å; L547-A560 HydrophobicContact CB-CB 3.81Å; L547-A560 HydrophobicContact CD1-CB 4.2Å; L556-A560 VanDerWaalsContact O-CB 3.24Å; L556-A560 WeakPolarHBondContact O-CB 3.42Å; L556-A560 PolarHBondContact O-N 3.34Å; Q558-A560 PolarHBondContact O-N 3.07Å; Q558-A560 VanDerWaalsContact O-N 3.16Å; A560-L564 WeakPolarHBondContact O-CG 3.38Å; A560-L564 PolarHBondContact O-N 2.94Å; A560-L564 VanDerWaalsContact O-N 3.12Å |
| 561 | M | 96.7 | Very high | 91.5 | Very high | 0.5 Ų | 0.5 | 35.6 Ų | 35.6 | 0% | 0.002 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.6 | -49.4 | 168.8 | -77.2 | -170.8 | -61.1 | 0 | 0 | 110.3 | I548 A557 Q558 A563 L564 L565 V611 W614 | I548-M561 HydrophobicContact CD1-CG 3.89Å; I548-M561 HydrophobicContact CG1-CG 3.86Å; I548-M561 HydrophobicContact CG2-CG 4.11Å; I548-M561 HydrophobicContact CG2-SD 4.14Å; A557-M561 WeakPolarHBondContact O-CG 3.4Å; A557-M561 PolarHBondContact O-N 3.2Å; A557-M561 VanDerWaalsContact O-N 3.14Å; Q558-M561 WeakPolarHBondContact O-CA 3.28Å; Q558-M561 WeakPolarHBondContact O-CB 3.24Å; Q558-M561 PolarHBondContact O-N 3.05Å; Q558-M561 VanDerWaalsContact OE1-CE 3.27Å; M561-A563 VanDerWaalsContact C-N 3.31Å; M561-A563 PolarHBondContact O-N 2.89Å; M561-L564 PolarHBondContact O-N 3.12Å; M561-L564 VanDerWaalsContact O-N 3.13Å; M561-L565 PolarHBondContact O-N 3.02Å; M561-V611 HydrophobicContact SD-CB 4.38Å; M561-V611 HydrophobicContact SD-CG2 3.76Å; M561-W614 VanDerWaalsContact C-NE1 3.35Å; M561-W614 HydrophobicContact CB-CD2 4.17Å; M561-W614 HydrophobicContact CB-CG 3.86Å; M561-W614 HydrophobicContact CG-CD2 3.96Å; M561-W614 HydrophobicContact CG-CE3 4.44Å; M561-W614 HydrophobicContact CG-CG 3.98Å; M561-W614 PolarHBondContact O-NE1 3.38Å; M561-W614 HydrophobicContact SD-CB 3.87Å; M561-W614 HydrophobicContact SD-CD2 4.15Å; M561-W614 HydrophobicContact SD-CE3 4.44Å; M561-W614 HydrophobicContact SD-CG 3.91Å |
| 562 | D | 97.3 | Very high | 92.7 | Very high | 62 Ų | 62 | 33 Ų | 33 | 33% | 0.332 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.9 | -39.1 | 179.9 | -63.4 | -38.8 | 0 | 0 | 0 | 111.7 | N515 Q558 E559 L564 L565 C566 | N515-D562 PolarHBondContact OD1-O 3.19Å; Q558-D562 VanDerWaalsContact NE2-CG 3.28Å; Q558-D562 PolarHBondContact NE2-OD1 3.2Å; Q558-D562 VanDerWaalsContact NE2-OD1 3.12Å; Q558-D562 PolarHBondContact NE2-OD2 3.36Å; Q558-D562 PolarHBondContact O-N 3.44Å; E559-D562 PolarHBondContact O-N 3.01Å; D562-L564 PolarHBondContact O-N 3.43Å; D562-L565 CarbonylContact O-C 3.55Å; D562-L565 PolarHBondContact O-N 3.07Å; D562-L565 VanDerWaalsContact O-N 3.15Å; D562-C566 WeakPolarHBondContact O-CB 3.33Å; D562-C566 PolarHBondContact O-N 3.2Å |
| 563 | A | 97.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V511 L514 N515 L544 E559 M561 L565 C566 L567 | V511-A563 HydrophobicContact CG1-CB 3.53Å; L514-A563 HydrophobicContact CD2-CB 4.18Å; N515-A563 WeakPolarHBondContact OD1-CA 3.47Å; N515-A563 PolarHBondContact OD1-N 3.07Å; L544-A563 HydrophobicContact CD1-CB 4.25Å; L544-A563 HydrophobicContact CD2-CB 4.39Å; E559-A563 VanDerWaalsContact O-CB 3.31Å; E559-A563 WeakPolarHBondContact O-CB 3.38Å; E559-A563 PolarHBondContact O-N 3.16Å; M561-A563 VanDerWaalsContact C-N 3.31Å; M561-A563 PolarHBondContact O-N 2.89Å; A563-L565 VanDerWaalsContact C-N 3.3Å; A563-L565 PolarHBondContact O-N 2.99Å; A563-C566 PolarHBondContact O-N 3.32Å; A563-L567 WeakPolarHBondContact O-CB 3.36Å; A563-L567 WeakPolarHBondContact O-CG 3.41Å; A563-L567 PolarHBondContact O-N 3.08Å |
| 564 | L | 98.1 | Very high | 94.3 | Very high | 0.5 Ų | 0.5 | 33.2 Ų | 33.2 | 0% | 0.003 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.3 | -31.2 | 174.5 | -77 | 164.8 | 0 | 0 | 0 | 112.5 | M541 L544 M545 I548 A560 M561 D562 H568 W614 | M541-L564 HydrophobicContact CB-CD2 3.83Å; M541-L564 HydrophobicContact CG-CD2 3.99Å; L544-L564 HydrophobicContact CB-CD1 3.81Å; L544-L564 HydrophobicContact CB-CD2 4.06Å; L544-L564 HydrophobicContact CB-CG 3.76Å; L544-L564 HydrophobicContact CD1-CD2 4.01Å; L544-L564 HydrophobicContact CD1-CG 3.99Å; M545-L564 HydrophobicContact CB-CD1 4.47Å; M545-L564 HydrophobicContact CE-CD1 4.3Å; I548-L564 HydrophobicContact CD1-CD1 3.88Å; A560-L564 WeakPolarHBondContact O-CG 3.38Å; A560-L564 PolarHBondContact O-N 2.94Å; A560-L564 VanDerWaalsContact O-N 3.12Å; M561-L564 PolarHBondContact O-N 3.12Å; M561-L564 VanDerWaalsContact O-N 3.13Å; D562-L564 PolarHBondContact O-N 3.43Å; L564-H568 WeakPolarHBondContact O-CB 3.3Å; L564-H568 PolarHBondContact O-N 3.37Å; L564-H568 VanDerWaalsContact O-N 3.09Å; L564-H568 PolarHBondContact O-ND1 3.07Å; L564-W614 HydrophobicContact CB-CZ2 3.69Å; L564-W614 HydrophobicContact CD1-CH2 4.35Å; L564-W614 HydrophobicContact CD1-CZ2 4Å; L564-W614 HydrophobicContact CG-CZ2 4.5Å |
| 565 | L | 98.3 | Very high | 94.7 | Very high | 34.5 Ų | 34.5 | 31.4 Ų | 31.4 | 18% | 0.181 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -73.8 | -38.1 | 175.2 | -177.1 | 60.6 | 0 | 0 | 0 | 112.3 | M561 D562 A563 H568 Q569 E617 I618 | M561-L565 PolarHBondContact O-N 3.02Å; D562-L565 CarbonylContact O-C 3.55Å; D562-L565 PolarHBondContact O-N 3.07Å; D562-L565 VanDerWaalsContact O-N 3.15Å; A563-L565 VanDerWaalsContact C-N 3.3Å; A563-L565 PolarHBondContact O-N 2.99Å; L565-H568 PolarHBondContact O-N 3.08Å; L565-Q569 PolarHBondContact O-N 3.29Å; L565-Q569 PolarHBondContact O-NE2 3.15Å; L565-E617 HydrophobicContact CD1-CB 3.76Å; L565-E617 HydrophobicContact CD2-CB 3.99Å; L565-I618 HydrophobicContact CB-CD1 4.19Å; L565-I618 HydrophobicContact CD1-CD1 3.96Å; L565-I618 HydrophobicContact CD1-CG1 4.41Å |
| 566 | C | 97.3 | Very high | 94.9 | Very high | 26 Ų | 26 | 27.6 Ų | 27.6 | 18% | 0.176 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.9 | -48.6 | 169.5 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | D562 A563 H568 Q569 N572 | D562-C566 WeakPolarHBondContact O-CB 3.33Å; D562-C566 PolarHBondContact O-N 3.2Å; A563-C566 PolarHBondContact O-N 3.32Å; C566-H568 VanDerWaalsContact C-N 3.27Å; C566-H568 PolarHBondContact O-N 3.19Å; C566-Q569 WeakPolarHBondContact O-CB 3.41Å; C566-Q569 WeakPolarHBondContact O-CG 3.41Å; C566-Q569 PolarHBondContact O-N 3.18Å; C566-Q569 VanDerWaalsContact O-N 3.12Å; C566-N572 PolarHBondContact O-ND2 2.9Å |
| 567 | L | 97.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.2 | -28.4 | 178.4 | -73.4 | 174.2 | 0 | 0 | 0 | 114 | L514 P518 L522 M541 L544 A563 W576 | L514-L567 HydrophobicContact CD1-CD2 4.41Å; L514-L567 HydrophobicContact CD2-CD1 4.21Å; P518-L567 HydrophobicContact CB-CD2 3.94Å; L522-L567 HydrophobicContact CD1-CD2 3.71Å; L522-L567 HydrophobicContact CD2-CD2 4.03Å; L522-L567 HydrophobicContact CG-CD2 3.97Å; M541-L567 HydrophobicContact CE-CB 3.97Å; M541-L567 HydrophobicContact CE-CD1 4.1Å; M541-L567 HydrophobicContact CE-CD2 4.46Å; M541-L567 HydrophobicContact CE-CG 4.43Å; M541-L567 HydrophobicContact CG-CD1 3.97Å; L544-L567 HydrophobicContact CD1-CD1 3.76Å; A563-L567 WeakPolarHBondContact O-CB 3.36Å; A563-L567 WeakPolarHBondContact O-CG 3.41Å; A563-L567 PolarHBondContact O-N 3.08Å; L567-W576 WeakPolarHBondContact O-CZ2 3.32Å; L567-W576 PolarHBondContact O-NE1 2.98Å |
| 568 | H | 97.5 | Very high | 94.6 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.019 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -1.2 | 175.7 | -82.1 | 79.1 | 0 | 0 | 0 | 114.5 | L564 L565 C566 I573 W576 S589 I618 C621 | L564-H568 WeakPolarHBondContact O-CB 3.3Å; L564-H568 PolarHBondContact O-N 3.37Å; L564-H568 VanDerWaalsContact O-N 3.09Å; L564-H568 PolarHBondContact O-ND1 3.07Å; L565-H568 PolarHBondContact O-N 3.08Å; C566-H568 VanDerWaalsContact C-N 3.27Å; C566-H568 PolarHBondContact O-N 3.19Å; H568-I573 WeakPolarHBondContact O-CD1 3.26Å; H568-W576 AromaticContact CD2-CH2 3.84Å; H568-W576 AromaticContact CE1-CH2 3.96Å; H568-W576 AromaticContact NE2-CH2 3.65Å; H568-S589 PolarHBondContact NE2-OG 3.03Å; H568-I618 HydrophobicContact CB-CD1 4.04Å; H568-C621 HydrophobicContact CB-CB 4.17Å; H568-C621 WeakPolarHBondContact O-CB 3.43Å |
| 569 | Q | 96.4 | Very high | 94.2 | Very high | 65.5 Ų | 65.5 | 34.9 Ų | 34.9 | 31% | 0.306 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -62.7 | 139.7 | 172.5 | -62.7 | -51.4 | -47.8 | 0 | 0 | 110.6 | L565 C566 A571 N572 I573 C621 | L565-Q569 PolarHBondContact O-N 3.29Å; L565-Q569 PolarHBondContact O-NE2 3.15Å; C566-Q569 WeakPolarHBondContact O-CB 3.41Å; C566-Q569 WeakPolarHBondContact O-CG 3.41Å; C566-Q569 PolarHBondContact O-N 3.18Å; C566-Q569 VanDerWaalsContact O-N 3.12Å; Q569-A571 PolarHBondContact O-N 2.81Å; Q569-N572 WeakPolarHBondContact O-CA 3.28Å; Q569-N572 PolarHBondContact O-N 3.01Å; Q569-I573 PolarHBondContact O-N 3.23Å; Q569-C621 PolarHBondContact NE2-SG 3.19Å |
| 570 | P | 93.4 | Very high | 93.8 | Very high | 11 Ų | 11 | 34.6 Ų | 34.6 | 7% | 0.071 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -53.7 | -33.4 | -174.9 | -30.5 | 36 | 0 | 0 | 0 | 115.5 | K624 F625 | P570-K624 HydrophobicContact CG-CB 3.97Å; P570-F625 HydrophobicContact CB-CB 4.34Å; P570-F625 HydrophobicContact CB-CD2 4.17Å; P570-F625 HydrophobicContact CG-CB 4.26Å |
| 571 | A | 92.8 | Very high | 93.5 | Very high | 70 Ų | 70 | 36.1 Ų | 36.1 | 58% | 0.579 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -65.2 | -37.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q569 | Q569-A571 PolarHBondContact O-N 2.81Å |
| 572 | N | 95 | Very high | 92.9 | Very high | 26 Ų | 26 | 36.8 Ų | 36.8 | 14% | 0.139 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -80.4 | -29.7 | 179.7 | -69.8 | -33.8 | 0 | 0 | 0 | 112.5 | P518 C566 Q569 R574 L575 W576 | P518-N572 WeakPolarHBondContact CG-OD1 3.35Å; C566-N572 PolarHBondContact O-ND2 2.9Å; Q569-N572 WeakPolarHBondContact O-CA 3.28Å; Q569-N572 PolarHBondContact O-N 3.01Å; N572-R574 PolarHBondContact O-N 3.17Å; N572-L575 WeakPolarHBondContact O-CB 3.28Å; N572-L575 PolarHBondContact O-N 3.31Å; N572-W576 PolarHBondContact O-NE1 2.91Å |
| 573 | I | 93.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.5 | -36 | 172.9 | -65.6 | 167.1 | 0 | 0 | 0 | 111.3 | H568 Q569 L575 W576 F585 F625 | H568-I573 WeakPolarHBondContact O-CD1 3.26Å; Q569-I573 PolarHBondContact O-N 3.23Å; I573-L575 PolarHBondContact O-N 3.22Å; I573-W576 HydrophobicContact CB-CD2 4.47Å; I573-W576 HydrophobicContact CG1-CD2 4.45Å; I573-W576 HydrophobicContact CG1-CH2 4.21Å; I573-W576 HydrophobicContact CG1-CZ2 3.7Å; I573-W576 HydrophobicContact CG2-CD2 4.29Å; I573-W576 HydrophobicContact CG2-CE3 4.4Å; I573-W576 WeakPolarHBondContact O-CB 3.3Å; I573-W576 PolarHBondContact O-N 2.91Å; I573-W576 VanDerWaalsContact O-N 3.08Å; I573-F585 HydrophobicContact CD1-CD2 3.78Å; I573-F585 HydrophobicContact CD1-CE2 3.83Å; I573-F585 HydrophobicContact CG1-CD2 4.22Å; I573-F585 HydrophobicContact CG2-CB 3.89Å; I573-F585 HydrophobicContact CG2-CD2 3.87Å; I573-F585 HydrophobicContact CG2-CG 4.27Å; I573-F625 HydrophobicContact CB-CD2 3.87Å; I573-F625 HydrophobicContact CB-CE2 3.79Å; I573-F625 HydrophobicContact CB-CZ 4.46Å; I573-F625 HydrophobicContact CD1-CB 3.8Å; I573-F625 HydrophobicContact CD1-CD1 4.43Å; I573-F625 HydrophobicContact CD1-CD2 3.74Å; I573-F625 HydrophobicContact CD1-CE2 4.37Å; I573-F625 HydrophobicContact CD1-CG 3.73Å; I573-F625 HydrophobicContact CG1-CD2 4.4Å; I573-F625 HydrophobicContact CG2-CD1 4.35Å; I573-F625 HydrophobicContact CG2-CD2 3.77Å; I573-F625 HydrophobicContact CG2-CE1 4.1Å; I573-F625 HydrophobicContact CG2-CE2 3.33Å; I573-F625 HydrophobicContact CG2-CG 4.31Å; I573-F625 HydrophobicContact CG2-CZ 3.52Å |
| 574 | R | 89.8 | Confident | 92 | Very high | 111 Ų | 111 | 37 Ų | 37 | 42% | 0.419 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.8 | -22.4 | 175.2 | -63.9 | 175.4 | -175.1 | 179.7 | 3.7 | 113.7 | N572 H629 | N572-R574 PolarHBondContact O-N 3.17Å; R574-H629 PolarHBondContact NE-NE2 2.91Å; R574-H629 PolarHBondContact NH2-NE2 3.11Å |
| 575 | L | 91.6 | Very high | 91.7 | Very high | 47.5 Ų | 47.5 | 37 Ų | 37 | 25% | 0.249 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -11.9 | 177.7 | -56.1 | 174.9 | 0 | 0 | 0 | 113.3 | L519 L522 N572 I573 N577 L578 | L519-L575 HydrophobicContact CB-CD1 4.5Å; L519-L575 HydrophobicContact CD1-CD1 4.16Å; L519-L575 HydrophobicContact CD1-CD2 4.31Å; L522-L575 HydrophobicContact CB-CB 4.18Å; L522-L575 HydrophobicContact CD1-CB 3.75Å; L522-L575 HydrophobicContact CD1-CD1 4.29Å; N572-L575 WeakPolarHBondContact O-CB 3.28Å; N572-L575 PolarHBondContact O-N 3.31Å; I573-L575 PolarHBondContact O-N 3.22Å; L575-N577 VanDerWaalsContact C-N 3.26Å; L575-N577 PolarHBondContact O-N 3.27Å; L575-L578 HydrophobicContact CD2-CD2 4.16Å |
| 576 | W | 93.1 | Very high | 91.2 | Very high | 0.5 Ų | 0.5 | 35.6 Ų | 35.6 | 0% | 0.002 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -33.3 | 180 | -63.7 | 9.5 | 0 | 0 | 0 | 112.1 | T537 M541 L567 H568 N572 I573 A584 F585 I588 | T537-W576 HydrophobicContact CG2-CB 3.89Å; T537-W576 HydrophobicContact CG2-CD2 4.34Å; T537-W576 HydrophobicContact CG2-CG 3.83Å; T537-W576 PolarHBondContact OG1-O 3.17Å; T537-W576 VanDerWaalsContact OG1-O 3.09Å; M541-W576 HydrophobicContact CE-CD2 3.71Å; M541-W576 HydrophobicContact CE-CE3 4.4Å; M541-W576 HydrophobicContact CE-CG 4.07Å; M541-W576 HydrophobicContact CE-CH2 4.2Å; M541-W576 HydrophobicContact CE-CZ2 3.48Å; M541-W576 VanDerWaalsContact CE-CZ2 3.45Å; M541-W576 VanDerWaalsContact CE-NE1 3.27Å; M541-W576 HydrophobicContact SD-CH2 4.21Å; M541-W576 HydrophobicContact SD-CZ2 4Å; L567-W576 WeakPolarHBondContact O-CZ2 3.32Å; L567-W576 PolarHBondContact O-NE1 2.98Å; H568-W576 AromaticContact CD2-CH2 3.84Å; H568-W576 AromaticContact CE1-CH2 3.96Å; H568-W576 AromaticContact NE2-CH2 3.65Å; N572-W576 PolarHBondContact O-NE1 2.91Å; I573-W576 HydrophobicContact CB-CD2 4.47Å; I573-W576 HydrophobicContact CG1-CD2 4.45Å; I573-W576 HydrophobicContact CG1-CH2 4.21Å; I573-W576 HydrophobicContact CG1-CZ2 3.7Å; I573-W576 HydrophobicContact CG2-CD2 4.29Å; I573-W576 HydrophobicContact CG2-CE3 4.4Å; I573-W576 WeakPolarHBondContact O-CB 3.3Å; I573-W576 PolarHBondContact O-N 2.91Å; I573-W576 VanDerWaalsContact O-N 3.08Å; W576-A584 HydrophobicContact CB-CB 3.93Å; W576-A584 HydrophobicContact CE3-CB 4.49Å; W576-F585 HydrophobicContact CH2-CD2 4.28Å; W576-F585 HydrophobicContact CZ3-CD2 4.29Å; W576-I588 HydrophobicContact CE3-CB 4.05Å; W576-I588 HydrophobicContact CE3-CD1 4.03Å; W576-I588 HydrophobicContact CE3-CG2 4.22Å; W576-I588 HydrophobicContact CH2-CG2 4.42Å; W576-I588 HydrophobicContact CZ3-CB 3.82Å; W576-I588 HydrophobicContact CZ3-CG2 3.85Å |
| 577 | N | 89.5 | Confident | 90.8 | Very high | 1.5 Ų | 1.5 | 36.6 Ų | 36.6 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | trans | -160.1 | 107.7 | 172.5 | -178.5 | -15.7 | 0 | 0 | 0 | 108.7 | S530 Q534 L575 H579 S580 P581 A584 | S530-N577 PolarHBondContact O-ND2 3.45Å; S530-N577 PolarHBondContact OG-ND2 3.11Å; S530-N577 PolarHBondContact OG-OD1 3.22Å; S530-N577 VanDerWaalsContact OG-OD1 3.12Å; Q534-N577 HydrophobicContact CB-CB 4.49Å; Q534-N577 PolarHBondContact OE1-ND2 3.17Å; Q534-N577 VanDerWaalsContact OE1-ND2 3.08Å; L575-N577 VanDerWaalsContact C-N 3.26Å; L575-N577 PolarHBondContact O-N 3.27Å; N577-H579 PolarHBondContact O-N 3.08Å; N577-H579 PolarHBondContact OD1-N 3.09Å; N577-H579 VanDerWaalsContact OD1-N 3.1Å; N577-S580 PolarHBondContact ND2-OG 3.14Å; N577-S580 CarbonylContact O-C 3.59Å; N577-S580 PolarHBondContact O-N 3.05Å; N577-S580 PolarHBondContact OD1-N 2.99Å; N577-P581 WeakPolarHBondContact O-CA 3.43Å; N577-P581 VanDerWaalsContact O-CD 3.26Å; N577-P581 WeakPolarHBondContact O-CD 3.33Å; N577-P581 WeakPolarHBondContact O-CG 3.33Å; N577-P581 VanDerWaalsContact O-N 3.12Å; N577-A584 HydrophobicContact CB-CB 3.53Å | ||
| 578 | L | 86.9 | Confident | 90.7 | Very high | 107 Ų | 107 | 36.7 Ų | 36.7 | 56% | 0.56 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -65.2 | -22.7 | -175.7 | -67.1 | 171.6 | 0 | 0 | 0 | 113.9 | L575 | L575-L578 HydrophobicContact CD2-CD2 4.16Š|
| 579 | H | 85.2 | Confident | 90.6 | Very high | 129 Ų | 129 | 36.5 Ų | 36.5 | 60% | 0.597 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -88.3 | -32 | -179 | -61.8 | -72.6 | 0 | 0 | 0 | 112.7 | N577 | N577-H579 PolarHBondContact O-N 3.08Å; N577-H579 PolarHBondContact OD1-N 3.09Å; N577-H579 VanDerWaalsContact OD1-N 3.1Å |
| 580 | S | 87.1 | Confident | 90.5 | Very high | 28.5 Ų | 28.5 | 33.4 Ų | 33.4 | 20% | 0.199 | 18% | 0.177 | C | C | . | . | trans | -146.5 | 71.7 | -179.1 | 50.3 | 0 | 0 | 0 | 0 | 112.2 | S530 N577 A582 Q583 A584 | S530-S580 PolarHBondContact OG-OG 3.12Å; N577-S580 PolarHBondContact ND2-OG 3.14Å; N577-S580 CarbonylContact O-C 3.59Å; N577-S580 PolarHBondContact O-N 3.05Å; N577-S580 PolarHBondContact OD1-N 2.99Å; S580-A582 VanDerWaalsContact C-N 3.32Å; S580-A582 PolarHBondContact O-N 3.42Å; S580-Q583 WeakPolarHBondContact O-CB 3.35Å; S580-Q583 PolarHBondContact O-N 2.91Å; S580-Q583 VanDerWaalsContact O-N 3.12Å; S580-Q583 PolarHBondContact OG-OE1 3.05Å; S580-A584 PolarHBondContact O-N 3.18Å; S580-A584 VanDerWaalsContact O-N 3.14Å | ||
| 581 | P | 87.6 | Confident | 90.5 | Very high | 32 Ų | 32 | 36 Ų | 36 | 21% | 0.208 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -55.1 | -43.2 | -178.4 | -30 | 36.6 | 0 | 0 | 0 | 114.5 | N577 Q583 A584 F585 | N577-P581 WeakPolarHBondContact O-CA 3.43Å; N577-P581 VanDerWaalsContact O-CD 3.26Å; N577-P581 WeakPolarHBondContact O-CD 3.33Å; N577-P581 WeakPolarHBondContact O-CG 3.33Å; N577-P581 VanDerWaalsContact O-N 3.12Å; P581-Q583 VanDerWaalsContact C-N 3.34Å; P581-Q583 PolarHBondContact O-N 3.02Å; P581-A584 PolarHBondContact O-N 3.27Å; P581-F585 WeakPolarHBondContact O-CB 3.42Å; P581-F585 PolarHBondContact O-N 3.27Å |
| 582 | A | 85 | Confident | 90.7 | Very high | 15 Ų | 15 | 33 Ų | 33 | 12% | 0.124 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.4 | -37.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S580 F585 W586 P729 L730 | S580-A582 VanDerWaalsContact C-N 3.32Å; S580-A582 PolarHBondContact O-N 3.42Å; A582-F585 PolarHBondContact O-N 2.99Å; A582-W586 PolarHBondContact O-N 3.09Å; A582-P729 HydrophobicContact CB-CB 3.58Å; A582-L730 HydrophobicContact CB-CD2 4.37Å |
| 583 | Q | 85.3 | Confident | 90.7 | Very high | 67 Ų | 67 | 31.9 Ų | 31.9 | 31% | 0.313 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62 | -50.6 | 173.6 | 177.9 | 170 | 1.2 | 0 | 0 | 110.9 | S580 P581 F585 W586 E587 I732 | S580-Q583 WeakPolarHBondContact O-CB 3.35Å; S580-Q583 PolarHBondContact O-N 2.91Å; S580-Q583 VanDerWaalsContact O-N 3.12Å; S580-Q583 PolarHBondContact OG-OE1 3.05Å; P581-Q583 VanDerWaalsContact C-N 3.34Å; P581-Q583 PolarHBondContact O-N 3.02Å; Q583-F585 VanDerWaalsContact C-N 3.29Å; Q583-F585 PolarHBondContact O-N 2.99Å; Q583-W586 PolarHBondContact O-N 3.29Å; Q583-E587 HydrophobicContact CG-CG 4.34Å; Q583-E587 VanDerWaalsContact CG-OE1 3.3Å; Q583-E587 WeakPolarHBondContact CG-OE1 3.26Å; Q583-E587 PolarHBondContact NE2-OE1 3.09Å; Q583-E587 WeakPolarHBondContact O-CB 3.41Å; Q583-E587 WeakPolarHBondContact O-CG 3.37Å; Q583-E587 PolarHBondContact O-N 3.18Å; Q583-I732 HydrophobicContact CB-CD1 3.64Å; Q583-I732 HydrophobicContact CG-CD1 4.01Å; Q583-I732 HydrophobicContact CG-CG2 4.27Å |
| 584 | A | 90.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.9 | -39.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q534 W576 N577 S580 P581 E587 I588 | Q534-A584 HydrophobicContact CG-CB 3.88Å; W576-A584 HydrophobicContact CB-CB 3.93Å; W576-A584 HydrophobicContact CE3-CB 4.49Å; N577-A584 HydrophobicContact CB-CB 3.53Å; S580-A584 PolarHBondContact O-N 3.18Å; S580-A584 VanDerWaalsContact O-N 3.14Å; P581-A584 PolarHBondContact O-N 3.27Å; A584-E587 PolarHBondContact O-N 2.98Å; A584-I588 HydrophobicContact CB-CD1 4.42Å; A584-I588 WeakPolarHBondContact O-CB 3.39Å; A584-I588 VanDerWaalsContact O-CG1 3.24Å; A584-I588 WeakPolarHBondContact O-CG1 3.35Å; A584-I588 PolarHBondContact O-N 3.36Å |
| 585 | F | 92.3 | Very high | 91 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.8 | -54.1 | 174.3 | 177 | -100.4 | 0 | 0 | 0 | 112.5 | I573 W576 P581 A582 Q583 E587 I588 S589 P590 R622 F625 L626 | I573-F585 HydrophobicContact CD1-CD2 3.78Å; I573-F585 HydrophobicContact CD1-CE2 3.83Å; I573-F585 HydrophobicContact CG1-CD2 4.22Å; I573-F585 HydrophobicContact CG2-CB 3.89Å; I573-F585 HydrophobicContact CG2-CD2 3.87Å; I573-F585 HydrophobicContact CG2-CG 4.27Å; W576-F585 HydrophobicContact CH2-CD2 4.28Å; W576-F585 HydrophobicContact CZ3-CD2 4.29Å; P581-F585 WeakPolarHBondContact O-CB 3.42Å; P581-F585 PolarHBondContact O-N 3.27Å; A582-F585 PolarHBondContact O-N 2.99Å; Q583-F585 VanDerWaalsContact C-N 3.29Å; Q583-F585 PolarHBondContact O-N 2.99Å; F585-E587 VanDerWaalsContact C-N 3.33Å; F585-E587 PolarHBondContact O-N 3.1Å; F585-I588 PolarHBondContact O-N 3.43Å; F585-S589 VanDerWaalsContact O-CB 3.31Å; F585-S589 WeakPolarHBondContact O-CB 3.18Å; F585-S589 PolarHBondContact O-N 3.14Å; F585-P590 WeakPolarHBondContact O-CD 3.42Å; F585-R622 HydrophobicContact CE2-CB 4.37Å; F585-R622 HydrophobicContact CE2-CG 3.88Å; F585-R622 HydrophobicContact CZ-CB 3.91Å; F585-R622 HydrophobicContact CZ-CG 3.73Å; F585-F625 HydrophobicContact CB-CD1 4.41Å; F585-F625 HydrophobicContact CB-CE1 3.76Å; F585-F625 HydrophobicContact CB-CZ 4.22Å; F585-F625 AromaticContact CD1-CD1 3.79Å; F585-F625 HydrophobicContact CD1-CD1 3.79Å; F585-F625 AromaticContact CD1-CE1 3.71Å; F585-F625 HydrophobicContact CD1-CE1 3.71Å; F585-F625 AromaticContact CD2-CD1 3.72Å; F585-F625 HydrophobicContact CD2-CD1 3.72Å; F585-F625 AromaticContact CD2-CE1 3.78Å; F585-F625 HydrophobicContact CD2-CE1 3.94Å; F585-F625 HydrophobicContact CD2-CG 4.31Å; F585-F625 AromaticContact CE1-CD1 3.59Å; F585-F625 HydrophobicContact CE1-CD1 3.85Å; F585-F625 HydrophobicContact CE1-CE1 4.25Å; F585-F625 HydrophobicContact CE2-CB 4.36Å; F585-F625 AromaticContact CE2-CD1 3.78Å; F585-F625 HydrophobicContact CE2-CD1 3.78Å; F585-F625 HydrophobicContact CE2-CE1 4.34Å; F585-F625 HydrophobicContact CE2-CG 4.24Å; F585-F625 AromaticContact CG-CD1 3.7Å; F585-F625 HydrophobicContact CG-CD1 3.7Å; F585-F625 AromaticContact CG-CE1 3.52Å; F585-F625 HydrophobicContact CG-CE1 3.52Å; F585-F625 VanDerWaalsContact CG-CE1 3.5Å; F585-F625 HydrophobicContact CG-CZ 4.37Å; F585-F625 HydrophobicContact CZ-CB 4.32Å; F585-F625 AromaticContact CZ-CD1 3.83Å; F585-F625 HydrophobicContact CZ-CD1 3.83Å; F585-F625 HydrophobicContact CZ-CE1 4.48Å; F585-F625 HydrophobicContact CZ-CG 4.33Å; F585-L626 HydrophobicContact CE1-CD2 3.83Å; F585-L626 HydrophobicContact CE1-CG 4.26Å; F585-L626 HydrophobicContact CZ-CD2 4.36Å; F585-L626 HydrophobicContact CZ-CG 4.31Å |
| 586 | W | 88.7 | Confident | 91.1 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 2% | 0.019 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.4 | -26.7 | -178.9 | -68.5 | 124.6 | 0 | 0 | 0 | 113.9 | A582 Q583 P590 L626 P729 L730 I732 N737 W777 | A582-W586 PolarHBondContact O-N 3.09Å; Q583-W586 PolarHBondContact O-N 3.29Å; W586-P590 HydrophobicContact CE3-CG 4.41Å; W586-P590 VanDerWaalsContact O-CD 3.23Å; W586-P590 WeakPolarHBondContact O-CD 3.49Å; W586-P590 VanDerWaalsContact O-CG 3.27Å; W586-P590 WeakPolarHBondContact O-CG 3.21Å; W586-L626 HydrophobicContact CH2-CD1 4.11Å; W586-L626 HydrophobicContact CH2-CD2 3.67Å; W586-L626 HydrophobicContact CH2-CG 4.23Å; W586-L626 HydrophobicContact CZ2-CD2 3.49Å; W586-L626 HydrophobicContact CZ2-CG 4.06Å; W586-P729 PolarHBondContact NE1-O 3.11Å; W586-L730 HydrophobicContact CZ2-CD2 3.92Å; W586-I732 HydrophobicContact CB-CB 4.35Å; W586-I732 HydrophobicContact CB-CG2 4.39Å; W586-I732 WeakPolarHBondContact CB-O 3.35Å; W586-I732 HydrophobicContact CG-CB 4.49Å; W586-N737 HydrophobicContact CE3-CB 4.35Å; W586-N737 HydrophobicContact CZ3-CB 4.21Å; W586-W777 AromaticContact CH2-CE2 3.94Å; W586-W777 AromaticContact CH2-CH2 3.89Å; W586-W777 HydrophobicContact CH2-CH2 4.06Å; W586-W777 AromaticContact CH2-CZ2 3.32Å; W586-W777 HydrophobicContact CH2-CZ2 3.32Å; W586-W777 VanDerWaalsContact CH2-CZ2 3.43Å; W586-W777 AromaticContact CZ2-CH2 3.76Å; W586-W777 HydrophobicContact CZ2-CH2 3.76Å; W586-W777 AromaticContact CZ2-CZ2 3.51Å; W586-W777 HydrophobicContact CZ2-CZ2 3.51Å; W586-W777 VanDerWaalsContact CZ2-CZ2 3.48Å; W586-W777 AromaticContact CZ3-CZ2 3.83Å; W586-W777 HydrophobicContact CZ3-CZ2 3.94Å |
| 587 | E | 88.9 | Confident | 91.2 | Very high | 47.5 Ų | 47.5 | 30.3 Ų | 30.3 | 22% | 0.222 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -80.3 | -36.5 | 175 | -74.8 | -159.2 | -117.7 | 0 | 0 | 113.5 | Q534 Q583 A584 F585 Q591 I732 R736 | Q534-E587 PolarHBondContact NE2-OE1 2.83Å; Q534-E587 PolarHBondContact NE2-OE2 3.02Å; Q583-E587 HydrophobicContact CG-CG 4.34Å; Q583-E587 VanDerWaalsContact CG-OE1 3.3Å; Q583-E587 WeakPolarHBondContact CG-OE1 3.26Å; Q583-E587 PolarHBondContact NE2-OE1 3.09Å; Q583-E587 WeakPolarHBondContact O-CB 3.41Å; Q583-E587 WeakPolarHBondContact O-CG 3.37Å; Q583-E587 PolarHBondContact O-N 3.18Å; A584-E587 PolarHBondContact O-N 2.98Å; F585-E587 VanDerWaalsContact C-N 3.33Å; F585-E587 PolarHBondContact O-N 3.1Å; E587-Q591 WeakPolarHBondContact O-CG 3.25Å; E587-Q591 PolarHBondContact O-NE2 3.02Å; E587-I732 HydrophobicContact CG-CG2 4.12Å; E587-R736 PolarHBondContact O-NH1 3.13Å; E587-R736 IonicContact OE2-NH1 3.17Å |
| 588 | I | 94.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -91.4 | -57 | -174 | -63.8 | 176.8 | 0 | 0 | 0 | 111.8 | Q534 T537 F538 M541 W576 A584 F585 Q591 L592 | Q534-I588 HydrophobicContact CG-CD1 4.11Å; Q534-I588 HydrophobicContact CG-CG1 4.48Å; T537-I588 HydrophobicContact CG2-CD1 3.94Å; F538-I588 HydrophobicContact CB-CD1 4.2Å; F538-I588 HydrophobicContact CB-CG1 4.11Å; F538-I588 HydrophobicContact CD2-CG1 4.29Å; F538-I588 HydrophobicContact CD2-CG2 4.24Å; M541-I588 HydrophobicContact SD-CG2 3.69Å; W576-I588 HydrophobicContact CE3-CB 4.05Å; W576-I588 HydrophobicContact CE3-CD1 4.03Å; W576-I588 HydrophobicContact CE3-CG2 4.22Å; W576-I588 HydrophobicContact CH2-CG2 4.42Å; W576-I588 HydrophobicContact CZ3-CB 3.82Å; W576-I588 HydrophobicContact CZ3-CG2 3.85Å; A584-I588 HydrophobicContact CB-CD1 4.42Å; A584-I588 WeakPolarHBondContact O-CB 3.39Å; A584-I588 VanDerWaalsContact O-CG1 3.24Å; A584-I588 WeakPolarHBondContact O-CG1 3.35Å; A584-I588 PolarHBondContact O-N 3.36Å; F585-I588 PolarHBondContact O-N 3.43Å; I588-Q591 WeakPolarHBondContact O-CB 3.4Å; I588-Q591 PolarHBondContact O-N 3.3Å; I588-L592 HydrophobicContact CG2-CD1 3.74Å; I588-L592 HydrophobicContact CG2-CG 4.3Å; I588-L592 PolarHBondContact O-N 3.09Å |
| 589 | S | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.4 | -43.6 | -168.3 | -175.7 | 0 | 0 | 0 | 0 | 112.9 | H568 F585 Q591 L592 L593 R622 | H568-S589 PolarHBondContact NE2-OG 3.03Å; F585-S589 VanDerWaalsContact O-CB 3.31Å; F585-S589 WeakPolarHBondContact O-CB 3.18Å; F585-S589 PolarHBondContact O-N 3.14Å; S589-Q591 VanDerWaalsContact C-N 3.32Å; S589-Q591 PolarHBondContact O-N 3.2Å; S589-L592 PolarHBondContact O-N 3.12Å; S589-L593 WeakPolarHBondContact O-CG 3.39Å; S589-L593 PolarHBondContact O-N 3.18Å; S589-R622 PolarHBondContact OG-NH1 2.88Å; S589-R622 VanDerWaalsContact OG-NH1 3.14Å |
| 590 | P | 94.5 | Very high | 92 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61 | -31.4 | 174.7 | -29.5 | 40.6 | 0 | 0 | 0 | 115.3 | F585 W586 Y594 R736 N737 A740 | F585-P590 WeakPolarHBondContact O-CD 3.42Å; W586-P590 HydrophobicContact CE3-CG 4.41Å; W586-P590 VanDerWaalsContact O-CD 3.23Å; W586-P590 WeakPolarHBondContact O-CD 3.49Å; W586-P590 VanDerWaalsContact O-CG 3.27Å; W586-P590 WeakPolarHBondContact O-CG 3.21Å; P590-Y594 VanDerWaalsContact O-CB 3.28Å; P590-Y594 WeakPolarHBondContact O-CB 3.26Å; P590-Y594 PolarHBondContact O-N 3.48Å; P590-R736 HydrophobicContact CB-CG 4.03Å; P590-N737 HydrophobicContact CG-CB 4.18Å; P590-N737 WeakPolarHBondContact CG-OD1 3.33Å; P590-A740 HydrophobicContact CB-CB 3.99Å; P590-A740 WeakPolarHBondContact O-CB 3.39Å |
| 591 | Q | 94.7 | Very high | 92.2 | Very high | 67 Ų | 67 | 21.7 Ų | 21.7 | 31% | 0.313 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -69.8 | -40.3 | 176.4 | -62.5 | -170.7 | 80.9 | 0 | 0 | 111.3 | F538 E587 I588 S589 Y594 S595 R736 | F538-Q591 HydrophobicContact CE2-CB 3.84Å; F538-Q591 HydrophobicContact CE2-CG 4.3Å; F538-Q591 HydrophobicContact CZ-CB 4.43Å; E587-Q591 WeakPolarHBondContact O-CG 3.25Å; E587-Q591 PolarHBondContact O-NE2 3.02Å; I588-Q591 WeakPolarHBondContact O-CB 3.4Å; I588-Q591 PolarHBondContact O-N 3.3Å; S589-Q591 VanDerWaalsContact C-N 3.32Å; S589-Q591 PolarHBondContact O-N 3.2Å; Q591-Y594 PolarHBondContact O-N 3.13Å; Q591-S595 VanDerWaalsContact O-CB 3.27Å; Q591-S595 WeakPolarHBondContact O-CB 3.47Å; Q591-S595 PolarHBondContact O-N 3.17Å; Q591-R736 HydrophobicContact CG-CG 4.46Å |
| 592 | L | 95.6 | Very high | 92.2 | Very high | 5.5 Ų | 5.5 | 23 Ų | 23 | 3% | 0.029 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.9 | -44.9 | 176.8 | -62.6 | 175.3 | 0 | 0 | 0 | 110.9 | M541 M545 I588 S589 S595 I596 | M541-L592 HydrophobicContact CB-CD1 3.76Å; M541-L592 HydrophobicContact CB-CD2 4.06Å; M541-L592 HydrophobicContact CG-CD1 4.34Å; M541-L592 HydrophobicContact SD-CD1 3.73Å; M545-L592 HydrophobicContact CB-CD2 4.22Å; M545-L592 HydrophobicContact CE-CB 3.82Å; M545-L592 HydrophobicContact CE-CD2 4.16Å; M545-L592 WeakPolarHBondContact CE-O 3.42Å; M545-L592 HydrophobicContact CG-CD2 4.4Å; I588-L592 HydrophobicContact CG2-CD1 3.74Å; I588-L592 HydrophobicContact CG2-CG 4.3Å; I588-L592 PolarHBondContact O-N 3.09Å; S589-L592 PolarHBondContact O-N 3.12Å; L592-S595 WeakPolarHBondContact O-CB 3.31Å; L592-S595 PolarHBondContact O-N 3.04Å; L592-I596 PolarHBondContact O-N 3.06Å |
| 593 | L | 96 | Very high | 91.7 | Very high | 3.5 Ų | 3.5 | 24.7 Ų | 24.7 | 2% | 0.018 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.3 | -48.8 | 173.7 | -71.1 | 174.3 | 0 | 0 | 0 | 112.4 | S589 S595 I596 A597 L615 I618 L619 A740 L744 | S589-L593 WeakPolarHBondContact O-CG 3.39Å; S589-L593 PolarHBondContact O-N 3.18Å; L593-S595 VanDerWaalsContact C-N 3.3Å; L593-S595 PolarHBondContact O-N 2.98Å; L593-I596 PolarHBondContact O-N 3.3Å; L593-A597 WeakPolarHBondContact O-CB 3.47Å; L593-A597 PolarHBondContact O-N 2.84Å; L593-L615 HydrophobicContact CD2-CD1 3.56Å; L593-I618 HydrophobicContact CD2-CG2 4.05Å; L593-L619 HydrophobicContact CD1-CD2 4.35Å; L593-L619 HydrophobicContact CD2-CD2 4.26Å; L593-A740 HydrophobicContact CB-CB 4.09Å; L593-L744 HydrophobicContact CB-CD1 4.42Å; L593-L744 HydrophobicContact CD1-CD1 4.06Å; L593-L744 HydrophobicContact CD2-CD1 4.27Å; L593-L744 HydrophobicContact CD2-CD2 4.37Å; L593-L744 HydrophobicContact CG-CD1 4.48Å |
| 594 | Y | 95.3 | Very high | 90.9 | Very high | 95.5 Ų | 95.5 | 23.5 Ų | 23.5 | 38% | 0.375 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -58.7 | -43.1 | 177 | -177.1 | -83.6 | 0 | 0 | 0 | 111.5 | P590 Q591 Q598 M739 K743 | P590-Y594 VanDerWaalsContact O-CB 3.28Å; P590-Y594 WeakPolarHBondContact O-CB 3.26Å; P590-Y594 PolarHBondContact O-N 3.48Å; Q591-Y594 PolarHBondContact O-N 3.13Å; Y594-Q598 VanDerWaalsContact O-CB 3.31Å; Y594-Q598 WeakPolarHBondContact O-CB 3.45Å; Y594-Q598 PolarHBondContact O-N 3.23Å; Y594-M739 HydrophobicContact CD2-CB 4.27Å; Y594-M739 HydrophobicContact CE2-CB 4.37Å; Y594-K743 HydrophobicContact CD2-CB 4.47Å; Y594-K743 HydrophobicContact CD2-CG 3.65Å; Y594-K743 HydrophobicContact CE2-CD 4.16Å; Y594-K743 HydrophobicContact CE2-CG 3.56Å |
| 595 | S | 93.7 | Very high | 90.3 | Very high | 31 Ų | 31 | 23.9 Ų | 23.9 | 22% | 0.217 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.8 | -51.8 | 178.7 | -172.8 | 0 | 0 | 0 | 0 | 111.9 | Q591 L592 L593 K599 | Q591-S595 VanDerWaalsContact O-CB 3.27Å; Q591-S595 WeakPolarHBondContact O-CB 3.47Å; Q591-S595 PolarHBondContact O-N 3.17Å; L592-S595 WeakPolarHBondContact O-CB 3.31Å; L592-S595 PolarHBondContact O-N 3.04Å; L593-S595 VanDerWaalsContact C-N 3.3Å; L593-S595 PolarHBondContact O-N 2.98Å; S595-K599 WeakPolarHBondContact O-CD 3.36Å; S595-K599 VanDerWaalsContact O-CG 3.23Å; S595-K599 WeakPolarHBondContact O-CG 3.38Å; S595-K599 PolarHBondContact O-N 3.13Å; S595-K599 VanDerWaalsContact O-N 3.17Å; S595-K599 WeakPolarHBondContact OG-CE 3.48Å |
| 596 | I | 94.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.6 | -38.4 | 179.8 | -161.9 | 67.8 | 0 | 0 | 0 | 112.5 | M545 I548 L592 L593 Q598 K599 L600 I605 V611 W614 L615 | M545-I596 HydrophobicContact CE-CB 4.19Å; M545-I596 HydrophobicContact SD-CB 3.83Å; M545-I596 HydrophobicContact SD-CD1 4.01Å; M545-I596 HydrophobicContact SD-CG1 4.39Å; I548-I596 HydrophobicContact CD1-CD1 4.43Å; I548-I596 HydrophobicContact CG2-CD1 4.11Å; L592-I596 PolarHBondContact O-N 3.06Å; L593-I596 PolarHBondContact O-N 3.3Å; I596-Q598 VanDerWaalsContact C-N 3.34Å; I596-Q598 PolarHBondContact O-N 3.29Å; I596-K599 HydrophobicContact CD1-CB 4.47Å; I596-K599 HydrophobicContact CD1-CD 4.06Å; I596-K599 WeakPolarHBondContact O-CB 3.4Å; I596-K599 PolarHBondContact O-N 3.35Å; I596-K599 VanDerWaalsContact O-N 3.1Å; I596-L600 HydrophobicContact CG1-CD1 4.4Å; I596-L600 WeakPolarHBondContact O-CG 3.3Å; I596-L600 PolarHBondContact O-N 3.37Å; I596-I605 HydrophobicContact CD1-CD1 3.71Å; I596-V611 HydrophobicContact CD1-CG1 3.81Å; I596-V611 HydrophobicContact CG1-CG1 3.73Å; I596-W614 HydrophobicContact CB-CZ3 4.5Å; I596-W614 HydrophobicContact CG1-CZ3 4.1Å; I596-W614 HydrophobicContact CG2-CZ3 4.27Å; I596-L615 HydrophobicContact CG2-CD1 3.94Å; I596-L615 HydrophobicContact CG2-CD2 4.35Å |
| 597 | A | 95.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.5 | -42.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L593 K599 L600 I601 K743 L744 V747 | L593-A597 WeakPolarHBondContact O-CB 3.47Å; L593-A597 PolarHBondContact O-N 2.84Å; A597-K599 VanDerWaalsContact C-N 3.32Å; A597-K599 PolarHBondContact O-N 3.32Å; A597-L600 PolarHBondContact O-N 3.15Å; A597-I601 VanDerWaalsContact O-CG1 3.28Å; A597-I601 WeakPolarHBondContact O-CG1 3.33Å; A597-I601 PolarHBondContact O-N 3.28Å; A597-K743 HydrophobicContact CB-CB 3.71Å; A597-L744 HydrophobicContact CB-CD2 4.22Å; A597-V747 HydrophobicContact CB-CG2 3.76Å; A597-V747 WeakPolarHBondContact O-CG2 3.4Å |
| 598 | Q | 93.7 | Very high | 89.2 | Confident | 46.5 Ų | 46.5 | 29 Ų | 29 | 22% | 0.217 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.9 | -31.1 | 175.3 | -170.1 | 59.8 | 77.3 | 0 | 0 | 112.9 | Y594 I596 N602 | Y594-Q598 VanDerWaalsContact O-CB 3.31Å; Y594-Q598 WeakPolarHBondContact O-CB 3.45Å; Y594-Q598 PolarHBondContact O-N 3.23Å; I596-Q598 VanDerWaalsContact C-N 3.34Å; I596-Q598 PolarHBondContact O-N 3.29Å; Q598-N602 PolarHBondContact NE2-OD1 2.94Å; Q598-N602 WeakPolarHBondContact O-CB 3.37Å; Q598-N602 PolarHBondContact O-N 3.19Å; Q598-N602 PolarHBondContact O-ND2 3.14Å; Q598-N602 PolarHBondContact O-OD1 3.27Å |
| 599 | K | 90.8 | Very high | 89.1 | Confident | 30 Ų | 30 | 29.5 Ų | 29.5 | 13% | 0.13 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.5 | -38.3 | 173.4 | -67.4 | 164.8 | -175.5 | -153.3 | 0 | 112.2 | M545 Q549 S595 I596 A597 R603 N604 I605 | M545-K599 PolarHBondContact O-NZ 3.14Å; Q549-K599 HydrophobicContact CG-CD 4.03Å; Q549-K599 VanDerWaalsContact OE1-CD 3.26Å; S595-K599 WeakPolarHBondContact O-CD 3.36Å; S595-K599 VanDerWaalsContact O-CG 3.23Å; S595-K599 WeakPolarHBondContact O-CG 3.38Å; S595-K599 PolarHBondContact O-N 3.13Å; S595-K599 VanDerWaalsContact O-N 3.17Å; S595-K599 WeakPolarHBondContact OG-CE 3.48Å; I596-K599 HydrophobicContact CD1-CB 4.47Å; I596-K599 HydrophobicContact CD1-CD 4.06Å; I596-K599 WeakPolarHBondContact O-CB 3.4Å; I596-K599 PolarHBondContact O-N 3.35Å; I596-K599 VanDerWaalsContact O-N 3.1Å; A597-K599 VanDerWaalsContact C-N 3.32Å; A597-K599 PolarHBondContact O-N 3.32Å; K599-R603 PolarHBondContact O-N 3.45Å; K599-N604 PolarHBondContact O-N 3.16Å; K599-I605 HydrophobicContact CB-CD1 3.88Å; K599-I605 HydrophobicContact CB-CG1 4.37Å |
| 600 | L | 93.6 | Very high | 89 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.6 | -48.8 | 175.6 | -73.7 | 169.6 | 0 | 0 | 0 | 112 | I596 A597 N602 R603 I605 V611 L615 V747 Y751 | I596-L600 HydrophobicContact CG1-CD1 4.4Å; I596-L600 WeakPolarHBondContact O-CG 3.3Å; I596-L600 PolarHBondContact O-N 3.37Å; A597-L600 PolarHBondContact O-N 3.15Å; L600-N602 PolarHBondContact O-N 3.01Å; L600-R603 WeakPolarHBondContact O-CA 3.41Å; L600-R603 PolarHBondContact O-N 3.16Å; L600-I605 HydrophobicContact CD2-CD1 4.06Å; L600-I605 HydrophobicContact CG-CD1 4.29Å; L600-V611 HydrophobicContact CD1-CG1 4.31Å; L600-V611 HydrophobicContact CD2-CB 4.4Å; L600-V611 HydrophobicContact CD2-CG1 4.05Å; L600-V611 HydrophobicContact CG-CG1 4.4Å; L600-L615 HydrophobicContact CD1-CD2 3.77Å; L600-V747 HydrophobicContact CB-CG1 4.3Å; L600-V747 HydrophobicContact CB-CG2 3.98Å; L600-V747 HydrophobicContact CD1-CG1 4.06Å; L600-V747 HydrophobicContact CD1-CG2 4.45Å; L600-Y751 HydrophobicContact CB-CE2 4.3Å; L600-Y751 HydrophobicContact CD2-CE2 4.45Å |
| 601 | I | 92.2 | Very high | 89 | Confident | 7.66667 Ų | 7.66667 | 32.7 Ų | 32.7 | 4% | 0.039 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -53.1 | -46 | 174.3 | -68.9 | 163.5 | 0 | 0 | 0 | 110.3 | A597 R603 K743 T746 V747 H1044 | A597-I601 VanDerWaalsContact O-CG1 3.28Å; A597-I601 WeakPolarHBondContact O-CG1 3.33Å; A597-I601 PolarHBondContact O-N 3.28Å; I601-R603 PolarHBondContact O-N 3.28Å; I601-R603 VanDerWaalsContact O-N 3.09Å; I601-K743 HydrophobicContact CD1-CB 4.49Å; I601-K743 HydrophobicContact CD1-CD 3.85Å; I601-T746 HydrophobicContact CD1-CG2 3.7Å; I601-T746 HydrophobicContact CG1-CG2 4.07Å; I601-V747 HydrophobicContact CD1-CG2 4.15Å; I601-V747 HydrophobicContact CG1-CG2 3.7Å; I601-H1044 VanDerWaalsContact CG2-CE1 3.48Å; I601-H1044 WeakPolarHBondContact CG2-CE1 3.31Å; I601-H1044 PolarHBondContact O-CE1 3.31Å |
| 602 | N | 85.8 | Confident | 89 | Confident | 58 Ų | 58 | 29.5 Ų | 29.5 | 31% | 0.31 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 2.8 | -180 | -66.8 | -5.2 | 0 | 0 | 0 | 114.3 | Q598 L600 N604 Y1170 | Q598-N602 PolarHBondContact NE2-OD1 2.94Å; Q598-N602 WeakPolarHBondContact O-CB 3.37Å; Q598-N602 PolarHBondContact O-N 3.19Å; Q598-N602 PolarHBondContact O-ND2 3.14Å; Q598-N602 PolarHBondContact O-OD1 3.27Å; L600-N602 PolarHBondContact O-N 3.01Å; N602-N604 VanDerWaalsContact CB-ND2 3.28Å; N602-N604 WeakPolarHBondContact CB-ND2 3.31Å; N602-N604 PolarHBondContact O-N 3.17Å; N602-N604 VanDerWaalsContact O-N 3.1Å; N602-N604 PolarHBondContact O-OD1 3.21Å; N602-Y1170 WeakPolarHBondContact CA-OH 3.26Å |
| 603 | R | 75.9 | Confident | 89 | Confident | 51.6667 Ų | 51.6667 | 31.8 Ų | 31.8 | 20% | 0.195 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 36.4 | -177.1 | -69.6 | -176.1 | 162.2 | -146.4 | -4 | 114 | K599 L600 I601 I605 W753 Y1170 E1194 | K599-R603 PolarHBondContact O-N 3.45Å; L600-R603 WeakPolarHBondContact O-CA 3.41Å; L600-R603 PolarHBondContact O-N 3.16Å; I601-R603 PolarHBondContact O-N 3.28Å; I601-R603 VanDerWaalsContact O-N 3.09Å; R603-I605 VanDerWaalsContact C-N 3.33Å; R603-I605 PolarHBondContact O-N 3.41Å; R603-W753 VanDerWaalsContact NH2-CH2 3.35Å; R603-Y1170 HydrophobicContact CB-CD2 3.81Å; R603-Y1170 HydrophobicContact CB-CE2 4.26Å; R603-Y1170 HydrophobicContact CB-CG 4.38Å; R603-E1194 IonicContact CZ-OE1 2.79Å; R603-E1194 IonicContact CZ-OE2 3.83Å; R603-E1194 VanDerWaalsContact NH1-CD 3.32Å; R603-E1194 IonicContact NH1-OE1 3.07Å; R603-E1194 PolarHBondContact NH1-OE1 3.17Å; R603-E1194 IonicContact NH1-OE2 3.03Å; R603-E1194 PolarHBondContact NH1-OE2 3.32Å; R603-E1194 IonicContact NH2-OE1 3.02Å; R603-E1194 PolarHBondContact NH2-OE1 3.16Å |
| 604 | N | 68.1 | Low | 89.1 | Confident | 41 Ų | 41 | 32.5 Ų | 32.5 | 22% | 0.219 | 17% | 0.167 | C | C | . | . | trans | -89.4 | 8.5 | -176.3 | -79.2 | -39.8 | 0 | 0 | 0 | 114 | K599 N602 R1169 | K599-N604 PolarHBondContact O-N 3.16Å; N602-N604 VanDerWaalsContact CB-ND2 3.28Å; N602-N604 WeakPolarHBondContact CB-ND2 3.31Å; N602-N604 PolarHBondContact O-N 3.17Å; N602-N604 VanDerWaalsContact O-N 3.1Å; N602-N604 PolarHBondContact O-OD1 3.21Å; N604-R1169 PolarHBondContact OD1-NE 3.21Å; N604-R1169 PolarHBondContact OD1-NH2 2.99Å | ||
| 605 | I | 77.2 | Confident | 89.2 | Confident | 9.66667 Ų | 9.66667 | 28 Ų | 28 | 5% | 0.05 | 15% | 0.149 | C | C | . | . | trans | -122.7 | 124.3 | -172.7 | -62.5 | 179.5 | 0 | 0 | 0 | 108.7 | Q549 I596 K599 L600 R603 N607 S608 V611 | Q549-I605 HydrophobicContact CG-CG1 4.37Å; I596-I605 HydrophobicContact CD1-CD1 3.71Å; K599-I605 HydrophobicContact CB-CD1 3.88Å; K599-I605 HydrophobicContact CB-CG1 4.37Å; L600-I605 HydrophobicContact CD2-CD1 4.06Å; L600-I605 HydrophobicContact CG-CD1 4.29Å; R603-I605 VanDerWaalsContact C-N 3.33Å; R603-I605 PolarHBondContact O-N 3.41Å; I605-N607 VanDerWaalsContact CG2-OD1 3.3Å; I605-N607 WeakPolarHBondContact CG2-OD1 3.39Å; I605-S608 WeakPolarHBondContact O-CB 2.88Å; I605-V611 HydrophobicContact CD1-CG1 4.2Å; I605-V611 HydrophobicContact CG2-CB 4.43Å; I605-V611 HydrophobicContact CG2-CG2 3.79Å | ||
| 606 | P | 74.1 | Confident | 89.4 | Confident | 88.6667 Ų | 88.6667 | 29.3 Ų | 29.3 | 58% | 0.576 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -45.5 | -179.4 | 28.9 | -31.9 | 0 | 0 | 0 | 112.3 | S608 | P606-S608 PolarHBondContact O-N 3.23Å; P606-S608 VanDerWaalsContact O-N 3.14Å |
| 607 | N | 84.4 | Confident | 89.6 | Confident | 45.6667 Ų | 45.6667 | 32.2 Ų | 32.2 | 24% | 0.244 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 42 | 176.3 | 61.4 | -43.5 | 0 | 0 | 0 | 112.2 | I605 C609 D610 V611 | I605-N607 VanDerWaalsContact CG2-OD1 3.3Å; I605-N607 WeakPolarHBondContact CG2-OD1 3.39Å; N607-C609 VanDerWaalsContact C-N 3.26Å; N607-C609 PolarHBondContact O-N 2.99Å; N607-D610 PolarHBondContact O-N 3.22Å; N607-D610 VanDerWaalsContact O-N 3.16Å; N607-V611 PolarHBondContact O-N 3.18Å; N607-V611 VanDerWaalsContact O-N 3.14Å |
| 608 | S | 89.6 | Confident | 89.7 | Confident | 25.3333 Ų | 25.3333 | 32.4 Ų | 32.4 | 18% | 0.177 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.1 | -24.3 | -168.4 | 71.1 | 0 | 0 | 0 | 0 | 114.3 | I605 P606 L612 Y751 | I605-S608 WeakPolarHBondContact O-CB 2.88Å; P606-S608 PolarHBondContact O-N 3.23Å; P606-S608 VanDerWaalsContact O-N 3.14Å; S608-L612 WeakPolarHBondContact O-CB 3.43Å; S608-L612 PolarHBondContact O-N 3.15Å; S608-Y751 VanDerWaalsContact CB-OH 3.27Å; S608-Y751 WeakPolarHBondContact CB-OH 3.34Å; S608-Y751 PolarHBondContact OG-OH 2.97Å |
| 609 | C | 91.6 | Very high | 89.9 | Confident | 11.3333 Ų | 11.3333 | 30.3 Ų | 30.3 | 8% | 0.077 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.4 | -45.8 | 172.6 | -167.1 | 0 | 0 | 0 | 0 | 111.7 | N607 L612 K613 D756 E758 A759 | N607-C609 VanDerWaalsContact C-N 3.26Å; N607-C609 PolarHBondContact O-N 2.99Å; C609-L612 WeakPolarHBondContact O-CA 3.34Å; C609-L612 WeakPolarHBondContact O-CB 3.3Å; C609-L612 PolarHBondContact O-N 3.29Å; C609-L612 VanDerWaalsContact O-N 3.1Å; C609-K613 WeakPolarHBondContact O-CG 3.3Å; C609-K613 PolarHBondContact O-N 3.29Å; C609-K613 VanDerWaalsContact SG-CE 3.52Å; C609-K613 WeakPolarHBondContact SG-CE 3.46Å; C609-D756 VanDerWaalsContact CB-OD2 3.27Å; C609-D756 WeakPolarHBondContact CB-OD2 3.36Å; C609-D756 PolarHBondContact SG-OD2 3.38Å; C609-E758 VanDerWaalsContact SG-CB 3.59Å; C609-A759 HydrophobicContact CB-CB 4.32Å; C609-A759 PolarHBondContact SG-N 3.29Å; C609-A759 VanDerWaalsContact SG-N 3.43Å |
| 610 | D | 92.8 | Very high | 90.2 | Very high | 66.6667 Ų | 66.6667 | 30.4 Ų | 30.4 | 36% | 0.357 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -72.6 | -35.2 | -178.5 | -49.1 | -53.8 | 0 | 0 | 0 | 111.7 | N607 L612 K613 W614 | N607-D610 PolarHBondContact O-N 3.22Å; N607-D610 VanDerWaalsContact O-N 3.16Å; D610-L612 VanDerWaalsContact C-N 3.27Å; D610-L612 PolarHBondContact O-N 3.16Å; D610-K613 PolarHBondContact O-N 3.2Å; D610-K613 IonicContact OD1-NZ 3.6Å; D610-K613 PolarHBondContact OD1-NZ 3.08Å; D610-W614 WeakPolarHBondContact O-CB 3.35Å; D610-W614 PolarHBondContact O-N 3.22Å |
| 611 | V | 94.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.4 | -34.7 | 168.4 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | I548 M561 I596 L600 I605 N607 W614 L615 | I548-V611 HydrophobicContact CG2-CG1 4.31Å; I548-V611 HydrophobicContact CG2-CG2 3.64Å; M561-V611 HydrophobicContact SD-CB 4.38Å; M561-V611 HydrophobicContact SD-CG2 3.76Å; I596-V611 HydrophobicContact CD1-CG1 3.81Å; I596-V611 HydrophobicContact CG1-CG1 3.73Å; L600-V611 HydrophobicContact CD1-CG1 4.31Å; L600-V611 HydrophobicContact CD2-CB 4.4Å; L600-V611 HydrophobicContact CD2-CG1 4.05Å; L600-V611 HydrophobicContact CG-CG1 4.4Å; I605-V611 HydrophobicContact CD1-CG1 4.2Å; I605-V611 HydrophobicContact CG2-CB 4.43Å; I605-V611 HydrophobicContact CG2-CG2 3.79Å; N607-V611 PolarHBondContact O-N 3.18Å; N607-V611 VanDerWaalsContact O-N 3.14Å; V611-W614 HydrophobicContact CG1-CE3 4.33Å; V611-L615 WeakPolarHBondContact O-CB 3.3Å; V611-L615 PolarHBondContact O-N 3.09Å |
| 612 | L | 95.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -72.5 | -38.7 | 175.7 | -170.3 | 65.6 | 0 | 0 | 0 | 112 | S608 C609 D610 L615 R616 V747 F748 Y751 A759 T762 | S608-L612 WeakPolarHBondContact O-CB 3.43Å; S608-L612 PolarHBondContact O-N 3.15Å; C609-L612 WeakPolarHBondContact O-CA 3.34Å; C609-L612 WeakPolarHBondContact O-CB 3.3Å; C609-L612 PolarHBondContact O-N 3.29Å; C609-L612 VanDerWaalsContact O-N 3.1Å; D610-L612 VanDerWaalsContact C-N 3.27Å; D610-L612 PolarHBondContact O-N 3.16Å; L612-L615 HydrophobicContact CD1-CD2 4.4Å; L612-L615 PolarHBondContact O-N 3Å; L612-R616 PolarHBondContact O-N 3.23Å; L612-R616 VanDerWaalsContact O-N 3.08Å; L612-V747 HydrophobicContact CD1-CG1 4.03Å; L612-F748 HydrophobicContact CD1-CD1 4.13Å; L612-F748 HydrophobicContact CD1-CE1 3.95Å; L612-Y751 HydrophobicContact CD2-CD1 4.18Å; L612-Y751 HydrophobicContact CD2-CD2 4.45Å; L612-Y751 HydrophobicContact CD2-CG 4.07Å; L612-A759 HydrophobicContact CD2-CB 4.32Å; L612-A759 VanDerWaalsContact CD2-O 3.29Å; L612-A759 WeakPolarHBondContact CD2-O 3.35Å; L612-T762 HydrophobicContact CB-CG2 4.43Å; L612-T762 HydrophobicContact CD2-CG2 4.3Å; L612-T762 HydrophobicContact CG-CG2 3.88Å |
| 613 | K | 96.3 | Very high | 90.8 | Very high | 55 Ų | 55 | 27.8 Ų | 27.8 | 24% | 0.239 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61 | -46.5 | 171.6 | -66.2 | 167.2 | -164.8 | 161.5 | 0 | 110.8 | C609 D610 R616 E617 E758 T762 | C609-K613 WeakPolarHBondContact O-CG 3.3Å; C609-K613 PolarHBondContact O-N 3.29Å; C609-K613 VanDerWaalsContact SG-CE 3.52Å; C609-K613 WeakPolarHBondContact SG-CE 3.46Å; D610-K613 PolarHBondContact O-N 3.2Å; D610-K613 IonicContact OD1-NZ 3.6Å; D610-K613 PolarHBondContact OD1-NZ 3.08Å; K613-R616 VanDerWaalsContact O-CB 3.31Å; K613-R616 WeakPolarHBondContact O-CB 3.46Å; K613-R616 PolarHBondContact O-N 2.96Å; K613-E617 PolarHBondContact O-N 3.13Å; K613-E758 VanDerWaalsContact CE-OE2 3.25Å; K613-E758 WeakPolarHBondContact CE-OE2 3.27Å; K613-E758 IonicContact NZ-OE2 3.5Å; K613-E758 PolarHBondContact NZ-OE2 3.18Å; K613-T762 HydrophobicContact CG-CG2 4.22Å |
| 614 | W | 96.9 | Very high | 91.7 | Very high | 18.6667 Ų | 18.6667 | 29.5 Ų | 29.5 | 7% | 0.071 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 174.8 | 167.7 | 79.7 | 0 | 0 | 0 | 112.6 | M545 I548 M561 L564 I596 D610 V611 R616 E617 I618 | M545-W614 HydrophobicContact CE-CH2 3.97Å; I548-W614 HydrophobicContact CD1-CH2 3.81Å; I548-W614 HydrophobicContact CD1-CZ2 4.19Å; I548-W614 HydrophobicContact CD1-CZ3 4.05Å; M561-W614 VanDerWaalsContact C-NE1 3.35Å; M561-W614 HydrophobicContact CB-CD2 4.17Å; M561-W614 HydrophobicContact CB-CG 3.86Å; M561-W614 HydrophobicContact CG-CD2 3.96Å; M561-W614 HydrophobicContact CG-CE3 4.44Å; M561-W614 HydrophobicContact CG-CG 3.98Å; M561-W614 PolarHBondContact O-NE1 3.38Å; M561-W614 HydrophobicContact SD-CB 3.87Å; M561-W614 HydrophobicContact SD-CD2 4.15Å; M561-W614 HydrophobicContact SD-CE3 4.44Å; M561-W614 HydrophobicContact SD-CG 3.91Å; L564-W614 HydrophobicContact CB-CZ2 3.69Å; L564-W614 HydrophobicContact CD1-CH2 4.35Å; L564-W614 HydrophobicContact CD1-CZ2 4Å; L564-W614 HydrophobicContact CG-CZ2 4.5Å; I596-W614 HydrophobicContact CB-CZ3 4.5Å; I596-W614 HydrophobicContact CG1-CZ3 4.1Å; I596-W614 HydrophobicContact CG2-CZ3 4.27Å; D610-W614 WeakPolarHBondContact O-CB 3.35Å; D610-W614 PolarHBondContact O-N 3.22Å; V611-W614 HydrophobicContact CG1-CE3 4.33Å; W614-R616 VanDerWaalsContact C-N 3.26Å; W614-R616 PolarHBondContact O-N 3.06Å; W614-E617 PolarHBondContact O-N 3.18Å; W614-I618 HydrophobicContact CD2-CG1 4.01Å; W614-I618 HydrophobicContact CE3-CG1 4.45Å; W614-I618 HydrophobicContact CH2-CG1 4.11Å; W614-I618 HydrophobicContact CZ2-CD1 3.73Å; W614-I618 HydrophobicContact CZ2-CG1 3.62Å; W614-I618 HydrophobicContact CZ3-CG1 4.48Å; W614-I618 WeakPolarHBondContact O-CG1 3.39Å; W614-I618 PolarHBondContact O-N 3.05Å |
| 615 | L | 97.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.9 | -35.1 | 178.4 | -179.6 | 58.5 | 0 | 0 | 0 | 112.3 | L593 I596 L600 V611 L612 I618 L619 L744 F748 | L593-L615 HydrophobicContact CD2-CD1 3.56Å; I596-L615 HydrophobicContact CG2-CD1 3.94Å; I596-L615 HydrophobicContact CG2-CD2 4.35Å; L600-L615 HydrophobicContact CD1-CD2 3.77Å; V611-L615 WeakPolarHBondContact O-CB 3.3Å; V611-L615 PolarHBondContact O-N 3.09Å; L612-L615 HydrophobicContact CD1-CD2 4.4Å; L612-L615 PolarHBondContact O-N 3Å; L615-I618 PolarHBondContact O-N 3.18Å; L615-L619 WeakPolarHBondContact O-CG 3.22Å; L615-L619 PolarHBondContact O-N 3.16Å; L615-L619 VanDerWaalsContact O-N 3.08Å; L615-L744 HydrophobicContact CD1-CD2 4.02Å; L615-L744 HydrophobicContact CD2-CD2 3.8Å; L615-L744 HydrophobicContact CG-CD2 4.22Å; L615-F748 HydrophobicContact CD2-CE1 4.42Å |
| 616 | R | 97.9 | Very high | 93.3 | Very high | 58.6667 Ų | 58.6667 | 27.4 Ų | 27.4 | 22% | 0.221 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.8 | -47.1 | 170.7 | -171.4 | -170.8 | 67.9 | -152.4 | -1.6 | 111.3 | L612 K613 W614 I618 L619 V620 T762 S765 L769 L898 | L612-R616 PolarHBondContact O-N 3.23Å; L612-R616 VanDerWaalsContact O-N 3.08Å; K613-R616 VanDerWaalsContact O-CB 3.31Å; K613-R616 WeakPolarHBondContact O-CB 3.46Å; K613-R616 PolarHBondContact O-N 2.96Å; W614-R616 VanDerWaalsContact C-N 3.26Å; W614-R616 PolarHBondContact O-N 3.06Å; R616-I618 PolarHBondContact O-N 3.2Å; R616-L619 WeakPolarHBondContact O-CB 3.2Å; R616-L619 PolarHBondContact O-N 3.1Å; R616-V620 WeakPolarHBondContact O-CG2 3.33Å; R616-V620 PolarHBondContact O-N 3.2Å; R616-T762 HydrophobicContact CB-CG2 4.41Å; R616-S765 VanDerWaalsContact CD-OG 3.28Å; R616-S765 WeakPolarHBondContact CD-OG 3.4Å; R616-L769 HydrophobicContact CB-CD1 4.47Å; R616-L769 HydrophobicContact CG-CD1 3.62Å; R616-L769 WeakPolarHBondContact O-CD1 3.46Å; R616-L898 PolarHBondContact NH1-O 3.17Å; R616-L898 VanDerWaalsContact NH1-O 3.13Å; R616-L898 PolarHBondContact NH2-O 3.47Å |
| 617 | E | 98 | Very high | 94 | Very high | 61 Ų | 61 | 27.5 Ų | 27.5 | 29% | 0.285 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -68.3 | -33.9 | 179.5 | -57.1 | -47.2 | 133 | 0 | 0 | 112.8 | L565 K613 W614 L619 V620 C621 | L565-E617 HydrophobicContact CD1-CB 3.76Å; L565-E617 HydrophobicContact CD2-CB 3.99Å; K613-E617 PolarHBondContact O-N 3.13Å; W614-E617 PolarHBondContact O-N 3.18Å; E617-L619 VanDerWaalsContact C-N 3.34Å; E617-L619 PolarHBondContact O-N 3.14Å; E617-V620 PolarHBondContact O-N 3.13Å; E617-C621 PolarHBondContact O-N 3.07Å; E617-C621 PolarHBondContact O-SG 3.23Å |
| 618 | I | 97.8 | Very high | 94 | Very high | 3.33333 Ų | 3.33333 | 29.2 Ų | 29.2 | 2% | 0.017 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.7 | -42.7 | 170.4 | -65.5 | -70.2 | 0 | 0 | 0 | 111.1 | L565 H568 L593 W614 L615 R616 C621 R622 | L565-I618 HydrophobicContact CB-CD1 4.19Å; L565-I618 HydrophobicContact CD1-CD1 3.96Å; L565-I618 HydrophobicContact CD1-CG1 4.41Å; H568-I618 HydrophobicContact CB-CD1 4.04Å; L593-I618 HydrophobicContact CD2-CG2 4.05Å; W614-I618 HydrophobicContact CD2-CG1 4.01Å; W614-I618 HydrophobicContact CE3-CG1 4.45Å; W614-I618 HydrophobicContact CH2-CG1 4.11Å; W614-I618 HydrophobicContact CZ2-CD1 3.73Å; W614-I618 HydrophobicContact CZ2-CG1 3.62Å; W614-I618 HydrophobicContact CZ3-CG1 4.48Å; W614-I618 WeakPolarHBondContact O-CG1 3.39Å; W614-I618 PolarHBondContact O-N 3.05Å; L615-I618 PolarHBondContact O-N 3.18Å; R616-I618 PolarHBondContact O-N 3.2Å; I618-C621 PolarHBondContact O-N 3.31Å; I618-R622 WeakPolarHBondContact O-CG 3.37Å; I618-R622 PolarHBondContact O-N 3.11Å |
| 619 | L | 97.4 | Very high | 93.3 | Very high | 2.33333 Ų | 2.33333 | 29.9 Ų | 29.9 | 1% | 0.012 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.3 | -40.8 | 175.6 | -71.1 | 172.3 | 0 | 0 | 0 | 112.2 | L593 L615 R616 E617 C621 R622 I623 L744 F748 L769 | L593-L619 HydrophobicContact CD1-CD2 4.35Å; L593-L619 HydrophobicContact CD2-CD2 4.26Å; L615-L619 WeakPolarHBondContact O-CG 3.22Å; L615-L619 PolarHBondContact O-N 3.16Å; L615-L619 VanDerWaalsContact O-N 3.08Å; R616-L619 WeakPolarHBondContact O-CB 3.2Å; R616-L619 PolarHBondContact O-N 3.1Å; E617-L619 VanDerWaalsContact C-N 3.34Å; E617-L619 PolarHBondContact O-N 3.14Å; L619-C621 VanDerWaalsContact C-N 3.27Å; L619-C621 PolarHBondContact O-N 3.06Å; L619-R622 WeakPolarHBondContact O-CB 3.33Å; L619-R622 PolarHBondContact O-N 3.2Å; L619-I623 WeakPolarHBondContact O-CD1 3.42Å; L619-I623 WeakPolarHBondContact O-CG1 3.33Å; L619-I623 PolarHBondContact O-N 2.98Å; L619-L744 HydrophobicContact CD1-CD1 4.47Å; L619-L744 HydrophobicContact CD2-CD1 3.91Å; L619-F748 HydrophobicContact CD1-CE2 4.33Å; L619-F748 HydrophobicContact CD1-CZ 3.8Å; L619-L769 HydrophobicContact CB-CB 4.24Å; L619-L769 HydrophobicContact CB-CD1 3.68Å; L619-L769 HydrophobicContact CD1-CB 4.34Å; L619-L769 HydrophobicContact CD1-CD1 4.39Å |
| 620 | V | 97.6 | Very high | 92.1 | Very high | 33 Ų | 33 | 30.5 Ų | 30.5 | 20% | 0.2 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.2 | -40.2 | 171.7 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | R616 E617 I623 K624 L769 | R616-V620 WeakPolarHBondContact O-CG2 3.33Å; R616-V620 PolarHBondContact O-N 3.2Å; E617-V620 PolarHBondContact O-N 3.13Å; V620-I623 PolarHBondContact O-N 3.17Å; V620-K624 HydrophobicContact CG1-CD 4.12Å; V620-K624 VanDerWaalsContact O-CG 3.3Å; V620-K624 WeakPolarHBondContact O-CG 3.44Å; V620-K624 PolarHBondContact O-N 3.12Å; V620-L769 HydrophobicContact CG2-CD1 3.94Å; V620-L769 HydrophobicContact CG2-CD2 3.93Å |
| 621 | C | 96.6 | Very high | 90 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 3% | 0.027 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.8 | -37.7 | 177.4 | -64.7 | 0 | 0 | 0 | 0 | 112.8 | H568 Q569 E617 I618 L619 K624 F625 | H568-C621 HydrophobicContact CB-CB 4.17Å; H568-C621 WeakPolarHBondContact O-CB 3.43Å; Q569-C621 PolarHBondContact NE2-SG 3.19Å; E617-C621 PolarHBondContact O-N 3.07Å; E617-C621 PolarHBondContact O-SG 3.23Å; I618-C621 PolarHBondContact O-N 3.31Å; L619-C621 VanDerWaalsContact C-N 3.27Å; L619-C621 PolarHBondContact O-N 3.06Å; C621-K624 PolarHBondContact O-N 3.34Å; C621-F625 PolarHBondContact O-N 3.25Å |
| 622 | R | 94.3 | Very high | 87.6 | Confident | 0.333333 Ų | 0.333333 | 39.5 Ų | 39.5 | 0% | 0.001 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 171.7 | -72.6 | 170.5 | 48.9 | 93.1 | -4.9 | 112.2 | F585 S589 I618 L619 K624 F625 L626 N737 E773 | F585-R622 HydrophobicContact CE2-CB 4.37Å; F585-R622 HydrophobicContact CE2-CG 3.88Å; F585-R622 HydrophobicContact CZ-CB 3.91Å; F585-R622 HydrophobicContact CZ-CG 3.73Å; S589-R622 PolarHBondContact OG-NH1 2.88Å; S589-R622 VanDerWaalsContact OG-NH1 3.14Å; I618-R622 WeakPolarHBondContact O-CG 3.37Å; I618-R622 PolarHBondContact O-N 3.11Å; L619-R622 WeakPolarHBondContact O-CB 3.33Å; L619-R622 PolarHBondContact O-N 3.2Å; R622-K624 VanDerWaalsContact C-N 3.33Å; R622-K624 PolarHBondContact O-N 2.88Å; R622-F625 WeakPolarHBondContact O-CB 3.43Å; R622-F625 PolarHBondContact O-N 3.12Å; R622-F625 VanDerWaalsContact O-N 3.11Å; R622-L626 WeakPolarHBondContact O-CG 3.45Å; R622-L626 PolarHBondContact O-N 3.15Å; R622-N737 PolarHBondContact NH2-OD1 3.08Å; R622-E773 IonicContact CZ-OE1 3.05Å; R622-E773 IonicContact CZ-OE2 2.97Å; R622-E773 IonicContact NE-OE2 3.01Å; R622-E773 PolarHBondContact NE-OE2 3.23Å; R622-E773 VanDerWaalsContact NH2-CD 3.28Å; R622-E773 IonicContact NH2-OE1 2.7Å; R622-E773 PolarHBondContact NH2-OE1 3.32Å; R622-E773 IonicContact NH2-OE2 3.23Å; R622-E773 PolarHBondContact NH2-OE2 3.14Å |
| 623 | I | 93.8 | Very high | 84.8 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 4% | 0.036 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.7 | -44.1 | 178.7 | -71 | 162.1 | 0 | 0 | 0 | 110.5 | L619 V620 F625 L626 Q627 L769 Q772 E773 L776 | L619-I623 WeakPolarHBondContact O-CD1 3.42Å; L619-I623 WeakPolarHBondContact O-CG1 3.33Å; L619-I623 PolarHBondContact O-N 2.98Å; V620-I623 PolarHBondContact O-N 3.17Å; I623-F625 VanDerWaalsContact C-N 3.31Å; I623-F625 PolarHBondContact O-N 3.24Å; I623-L626 WeakPolarHBondContact O-CB 3.35Å; I623-L626 PolarHBondContact O-N 3.28Å; I623-Q627 HydrophobicContact CG2-CG 4.48Å; I623-Q627 WeakPolarHBondContact O-CB 3.47Å; I623-Q627 VanDerWaalsContact O-CG 3.28Å; I623-Q627 WeakPolarHBondContact O-CG 3.23Å; I623-Q627 PolarHBondContact O-N 3.15Å; I623-L769 HydrophobicContact CD1-CB 3.77Å; I623-L769 HydrophobicContact CD1-CD2 3.86Å; I623-L769 HydrophobicContact CD1-CG 4.35Å; I623-L769 WeakPolarHBondContact CD1-O 3.45Å; I623-Q772 HydrophobicContact CD1-CB 4.07Å; I623-E773 HydrophobicContact CG1-CB 4.39Å; I623-L776 HydrophobicContact CG2-CD1 4.01Å |
| 624 | K | 94.2 | Very high | 82 | Confident | 87.3333 Ų | 87.3333 | 41.6 Ų | 41.6 | 38% | 0.38 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60 | -36.4 | 173.3 | -73.1 | 168.7 | 179.3 | 172.6 | 0 | 113.2 | P570 V620 C621 R622 Q628 | P570-K624 HydrophobicContact CG-CB 3.97Å; V620-K624 HydrophobicContact CG1-CD 4.12Å; V620-K624 VanDerWaalsContact O-CG 3.3Å; V620-K624 WeakPolarHBondContact O-CG 3.44Å; V620-K624 PolarHBondContact O-N 3.12Å; C621-K624 PolarHBondContact O-N 3.34Å; R622-K624 VanDerWaalsContact C-N 3.33Å; R622-K624 PolarHBondContact O-N 2.88Å; K624-Q628 WeakPolarHBondContact O-CG 3.26Å; K624-Q628 PolarHBondContact O-N 3.1Å |
| 625 | F | 91.5 | Very high | 78.8 | Confident | 1.33333 Ų | 1.33333 | 46.9 Ų | 46.9 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.2 | -43.6 | 175.5 | -178.9 | -98.3 | 0 | 0 | 0 | 111.8 | P570 I573 F585 C621 R622 I623 Q627 Q628 H629 | P570-F625 HydrophobicContact CB-CB 4.34Å; P570-F625 HydrophobicContact CB-CD2 4.17Å; P570-F625 HydrophobicContact CG-CB 4.26Å; I573-F625 HydrophobicContact CB-CD2 3.87Å; I573-F625 HydrophobicContact CB-CE2 3.79Å; I573-F625 HydrophobicContact CB-CZ 4.46Å; I573-F625 HydrophobicContact CD1-CB 3.8Å; I573-F625 HydrophobicContact CD1-CD1 4.43Å; I573-F625 HydrophobicContact CD1-CD2 3.74Å; I573-F625 HydrophobicContact CD1-CE2 4.37Å; I573-F625 HydrophobicContact CD1-CG 3.73Å; I573-F625 HydrophobicContact CG1-CD2 4.4Å; I573-F625 HydrophobicContact CG2-CD1 4.35Å; I573-F625 HydrophobicContact CG2-CD2 3.77Å; I573-F625 HydrophobicContact CG2-CE1 4.1Å; I573-F625 HydrophobicContact CG2-CE2 3.33Å; I573-F625 HydrophobicContact CG2-CG 4.31Å; I573-F625 HydrophobicContact CG2-CZ 3.52Å; F585-F625 HydrophobicContact CB-CD1 4.41Å; F585-F625 HydrophobicContact CB-CE1 3.76Å; F585-F625 HydrophobicContact CB-CZ 4.22Å; F585-F625 AromaticContact CD1-CD1 3.79Å; F585-F625 HydrophobicContact CD1-CD1 3.79Å; F585-F625 AromaticContact CD1-CE1 3.71Å; F585-F625 HydrophobicContact CD1-CE1 3.71Å; F585-F625 AromaticContact CD2-CD1 3.72Å; F585-F625 HydrophobicContact CD2-CD1 3.72Å; F585-F625 AromaticContact CD2-CE1 3.78Å; F585-F625 HydrophobicContact CD2-CE1 3.94Å; F585-F625 HydrophobicContact CD2-CG 4.31Å; F585-F625 AromaticContact CE1-CD1 3.59Å; F585-F625 HydrophobicContact CE1-CD1 3.85Å; F585-F625 HydrophobicContact CE1-CE1 4.25Å; F585-F625 HydrophobicContact CE2-CB 4.36Å; F585-F625 AromaticContact CE2-CD1 3.78Å; F585-F625 HydrophobicContact CE2-CD1 3.78Å; F585-F625 HydrophobicContact CE2-CE1 4.34Å; F585-F625 HydrophobicContact CE2-CG 4.24Å; F585-F625 AromaticContact CG-CD1 3.7Å; F585-F625 HydrophobicContact CG-CD1 3.7Å; F585-F625 AromaticContact CG-CE1 3.52Å; F585-F625 HydrophobicContact CG-CE1 3.52Å; F585-F625 VanDerWaalsContact CG-CE1 3.5Å; F585-F625 HydrophobicContact CG-CZ 4.37Å; F585-F625 HydrophobicContact CZ-CB 4.32Å; F585-F625 AromaticContact CZ-CD1 3.83Å; F585-F625 HydrophobicContact CZ-CD1 3.83Å; F585-F625 HydrophobicContact CZ-CE1 4.48Å; F585-F625 HydrophobicContact CZ-CG 4.33Å; C621-F625 PolarHBondContact O-N 3.25Å; R622-F625 WeakPolarHBondContact O-CB 3.43Å; R622-F625 PolarHBondContact O-N 3.12Å; R622-F625 VanDerWaalsContact O-N 3.11Å; I623-F625 VanDerWaalsContact C-N 3.31Å; I623-F625 PolarHBondContact O-N 3.24Å; F625-Q627 VanDerWaalsContact C-N 3.33Å; F625-Q627 PolarHBondContact O-N 3.11Å; F625-Q628 PolarHBondContact O-N 3.24Å; F625-Q628 VanDerWaalsContact O-N 3.07Å; F625-H629 AromaticContact CD2-CD2 3.69Å; F625-H629 AromaticContact CE1-CD2 3.8Å; F625-H629 AromaticContact CE2-CD2 3.31Å; F625-H629 VanDerWaalsContact CE2-CD2 3.43Å; F625-H629 WeakPolarHBondContact CE2-CD2 3.35Å; F625-H629 AromaticContact CE2-NE2 3.39Å; F625-H629 VanDerWaalsContact CE2-NE2 3.33Å; F625-H629 WeakPolarHBondContact CE2-NE2 3.31Å; F625-H629 AromaticContact CZ-CD2 3.42Å; F625-H629 VanDerWaalsContact CZ-CD2 3.43Å; F625-H629 WeakPolarHBondContact CZ-CD2 3.25Å; F625-H629 AromaticContact CZ-NE2 3.71Å; F625-H629 VanDerWaalsContact CZ-NE2 3.33Å; F625-H629 WeakPolarHBondContact CZ-NE2 3.18Å; F625-H629 PolarHBondContact O-CD2 2.98Å; F625-H629 PolarHBondContact O-N 3.21Å; F625-H629 VanDerWaalsContact O-N 3.1Å |
| 626 | L | 88 | Confident | 75.5 | Confident | 6.33333 Ų | 6.33333 | 52.7 Ų | 52.7 | 3% | 0.033 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.7 | -45.9 | 175 | -107.5 | 135.4 | 0 | 0 | 0 | 111.7 | F585 W586 R622 I623 Q628 H629 C630 L730 E773 L776 W777 | F585-L626 HydrophobicContact CE1-CD2 3.83Å; F585-L626 HydrophobicContact CE1-CG 4.26Å; F585-L626 HydrophobicContact CZ-CD2 4.36Å; F585-L626 HydrophobicContact CZ-CG 4.31Å; W586-L626 HydrophobicContact CH2-CD1 4.11Å; W586-L626 HydrophobicContact CH2-CD2 3.67Å; W586-L626 HydrophobicContact CH2-CG 4.23Å; W586-L626 HydrophobicContact CZ2-CD2 3.49Å; W586-L626 HydrophobicContact CZ2-CG 4.06Å; R622-L626 WeakPolarHBondContact O-CG 3.45Å; R622-L626 PolarHBondContact O-N 3.15Å; I623-L626 WeakPolarHBondContact O-CB 3.35Å; I623-L626 PolarHBondContact O-N 3.28Å; L626-Q628 PolarHBondContact O-N 2.96Å; L626-Q628 VanDerWaalsContact O-N 3.16Å; L626-H629 CarbonylContact O-C 3.48Å; L626-H629 PolarHBondContact O-N 2.99Å; L626-H629 VanDerWaalsContact O-N 3.14Å; L626-C630 PolarHBondContact O-N 3.04Å; L626-C630 PolarHBondContact O-SG 2.89Å; L626-C630 VanDerWaalsContact O-SG 3.36Å; L626-L730 HydrophobicContact CD2-CD2 4.18Å; L626-E773 HydrophobicContact CD1-CG 3.79Å; L626-E773 HydrophobicContact CD2-CG 4Å; L626-L776 HydrophobicContact CB-CD1 4.13Å; L626-L776 HydrophobicContact CD2-CB 3.7Å; L626-L776 HydrophobicContact CD2-CD1 3.97Å; L626-L776 HydrophobicContact CG-CB 4.08Å; L626-L776 HydrophobicContact CG-CD1 4.14Å; L626-W777 HydrophobicContact CD1-CD2 4.44Å; L626-W777 HydrophobicContact CD1-CE3 4.26Å; L626-W777 HydrophobicContact CD1-CH2 3.91Å; L626-W777 HydrophobicContact CD1-CZ2 4.08Å; L626-W777 HydrophobicContact CD1-CZ3 3.99Å; L626-W777 HydrophobicContact CD2-CD2 4.27Å; L626-W777 HydrophobicContact CD2-CZ2 4.27Å |
| 627 | Q | 88.2 | Confident | 72.2 | Confident | 90 Ų | 90 | 53 Ų | 53 | 42% | 0.421 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.8 | -32.9 | 174.9 | -74.6 | 168.6 | -20.6 | 0 | 0 | 113.3 | I623 F625 H629 C630 D631 L776 | I623-Q627 HydrophobicContact CG2-CG 4.48Å; I623-Q627 WeakPolarHBondContact O-CB 3.47Å; I623-Q627 VanDerWaalsContact O-CG 3.28Å; I623-Q627 WeakPolarHBondContact O-CG 3.23Å; I623-Q627 PolarHBondContact O-N 3.15Å; F625-Q627 VanDerWaalsContact C-N 3.33Å; F625-Q627 PolarHBondContact O-N 3.11Å; Q627-H629 PolarHBondContact O-N 2.92Å; Q627-H629 VanDerWaalsContact O-N 3.1Å; Q627-C630 PolarHBondContact O-N 3.03Å; Q627-C630 VanDerWaalsContact O-N 3.09Å; Q627-D631 VanDerWaalsContact O-CG 3.25Å; Q627-D631 PolarHBondContact O-N 3.41Å; Q627-L776 HydrophobicContact CG-CD1 3.78Å; Q627-L776 HydrophobicContact CG-CD2 3.8Å; Q627-L776 HydrophobicContact CG-CG 4.44Å |
| 628 | Q | 84.5 | Confident | 68.8 | Low | 81.3333 Ų | 81.3333 | 55.1 Ų | 55.1 | 38% | 0.38 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -81.9 | -16.4 | 177 | -71 | 178.4 | 13.7 | 0 | 0 | 113.4 | K624 F625 L626 Y632 | K624-Q628 WeakPolarHBondContact O-CG 3.26Å; K624-Q628 PolarHBondContact O-N 3.1Å; F625-Q628 PolarHBondContact O-N 3.24Å; F625-Q628 VanDerWaalsContact O-N 3.07Å; L626-Q628 PolarHBondContact O-N 2.96Å; L626-Q628 VanDerWaalsContact O-N 3.16Å; Q628-Y632 WeakPolarHBondContact O-CD2 3.18Å; Q628-Y632 WeakPolarHBondContact O-CE2 3.27Å |
| 629 | H | 75.1 | Confident | 65.5 | Low | 39.3333 Ų | 39.3333 | 60.2 Ų | 60.2 | 18% | 0.182 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -116.6 | -9.4 | -173.6 | -77.9 | -71.5 | 0 | 0 | 0 | 114.5 | R574 F625 L626 Q627 D631 Y632 | R574-H629 PolarHBondContact NE-NE2 2.91Å; R574-H629 PolarHBondContact NH2-NE2 3.11Å; F625-H629 AromaticContact CD2-CD2 3.69Å; F625-H629 AromaticContact CE1-CD2 3.8Å; F625-H629 AromaticContact CE2-CD2 3.31Å; F625-H629 VanDerWaalsContact CE2-CD2 3.43Å; F625-H629 WeakPolarHBondContact CE2-CD2 3.35Å; F625-H629 AromaticContact CE2-NE2 3.39Å; F625-H629 VanDerWaalsContact CE2-NE2 3.33Å; F625-H629 WeakPolarHBondContact CE2-NE2 3.31Å; F625-H629 AromaticContact CZ-CD2 3.42Å; F625-H629 VanDerWaalsContact CZ-CD2 3.43Å; F625-H629 WeakPolarHBondContact CZ-CD2 3.25Å; F625-H629 AromaticContact CZ-NE2 3.71Å; F625-H629 VanDerWaalsContact CZ-NE2 3.33Å; F625-H629 WeakPolarHBondContact CZ-NE2 3.18Å; F625-H629 PolarHBondContact O-CD2 2.98Å; F625-H629 PolarHBondContact O-N 3.21Å; F625-H629 VanDerWaalsContact O-N 3.1Å; L626-H629 CarbonylContact O-C 3.48Å; L626-H629 PolarHBondContact O-N 2.99Å; L626-H629 VanDerWaalsContact O-N 3.14Å; Q627-H629 PolarHBondContact O-N 2.92Å; Q627-H629 VanDerWaalsContact O-N 3.1Å; H629-D631 VanDerWaalsContact C-N 3.33Å; H629-Y632 AromaticContact ND1-CD2 3.91Å; H629-Y632 PolarHBondContact O-N 3.36Å |
| 630 | C | 65.8 | Low | 62.2 | Low | 24.6667 Ų | 24.6667 | 66.5 Ų | 66.5 | 17% | 0.167 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -64.7 | -41.3 | 167.6 | 19.4 | 0 | 0 | 0 | 0 | 112 | L626 Q627 Y632 A633 | L626-C630 PolarHBondContact O-N 3.04Å; L626-C630 PolarHBondContact O-SG 2.89Å; L626-C630 VanDerWaalsContact O-SG 3.36Å; Q627-C630 PolarHBondContact O-N 3.03Å; Q627-C630 VanDerWaalsContact O-N 3.09Å; C630-Y632 VanDerWaalsContact C-N 3.26Å; C630-Y632 PolarHBondContact O-N 3.21Å; C630-A633 VanDerWaalsContact O-CB 3.22Å; C630-A633 WeakPolarHBondContact O-CB 3.45Å; C630-A633 PolarHBondContact O-N 3.06Å; C630-A633 VanDerWaalsContact O-N 3.1Å |
| 631 | D | 49.7 | Very low | 58.8 | Low | 100 Ų | 100 | 76.7 Ų | 76.7 | 54% | 0.535 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -65.8 | -27.9 | -175.9 | -57.9 | -20.8 | 0 | 0 | 0 | 112.6 | Q627 H629 A633 N634 | Q627-D631 VanDerWaalsContact O-CG 3.25Å; Q627-D631 PolarHBondContact O-N 3.41Å; H629-D631 VanDerWaalsContact C-N 3.33Å; D631-A633 PolarHBondContact O-N 3.18Å; D631-N634 WeakPolarHBondContact O-CB 3.5Å; D631-N634 PolarHBondContact O-N 3.14Å; D631-N634 VanDerWaalsContact O-N 3.07Å; D631-N634 PolarHBondContact O-ND2 3.04Å |
| 632 | Y | 43.1 | Very low | 55.5 | Low | 156.333 Ų | 156.333 | 79.9 Ų | 79.9 | 61% | 0.613 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -72.8 | -6.2 | 175.7 | -73.3 | -79.5 | 0 | 0 | 0 | 114 | Q628 H629 C630 N634 | Q628-Y632 WeakPolarHBondContact O-CD2 3.18Å; Q628-Y632 WeakPolarHBondContact O-CE2 3.27Å; H629-Y632 AromaticContact ND1-CD2 3.91Å; H629-Y632 PolarHBondContact O-N 3.36Å; C630-Y632 VanDerWaalsContact C-N 3.26Å; C630-Y632 PolarHBondContact O-N 3.21Å; Y632-N634 VanDerWaalsContact C-N 3.29Å |
| 633 | A | 37.6 | Very low | 52.3 | Low | 34.6667 Ų | 34.6667 | 87.2 Ų | 87.2 | 29% | 0.287 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -74.3 | -19.4 | 169 | 0 | 0 | 0 | 0 | 0 | 112.7 | C630 D631 L635 L730 | C630-A633 VanDerWaalsContact O-CB 3.22Å; C630-A633 WeakPolarHBondContact O-CB 3.45Å; C630-A633 PolarHBondContact O-N 3.06Å; C630-A633 VanDerWaalsContact O-N 3.1Å; D631-A633 PolarHBondContact O-N 3.18Å; A633-L635 VanDerWaalsContact C-N 3.31Å; A633-L635 PolarHBondContact O-N 3.23Å; A633-L730 HydrophobicContact CB-CD1 4.16Å |
| 634 | N | 36.4 | Very low | 49.1 | Very low | 63.6667 Ų | 63.6667 | 94.9 Ų | 94.9 | 34% | 0.34 | 53% | 0.529 | S | S | . | . | trans | -92.3 | 19 | -167.5 | -61 | -35.1 | 0 | 0 | 0 | 114.9 | D631 Y632 P636 L783 | D631-N634 WeakPolarHBondContact O-CB 3.5Å; D631-N634 PolarHBondContact O-N 3.14Å; D631-N634 VanDerWaalsContact O-N 3.07Å; D631-N634 PolarHBondContact O-ND2 3.04Å; Y632-N634 VanDerWaalsContact C-N 3.29Å; N634-P636 VanDerWaalsContact O-CD 3.27Å; N634-P636 WeakPolarHBondContact O-CD 3.35Å; N634-L783 WeakPolarHBondContact OD1-CD1 3.47Å | ||
| 635 | L | 29.7 | Very low | 45.9 | Very low | 130.333 Ų | 130.333 | 96.8 Ų | 96.8 | 68% | 0.682 | 55% | 0.549 | S | S | * | . | trans | -104.6 | 97.1 | 170.7 | -110.7 | 80.6 | 0 | 0 | 0 | 111.3 | A633 G637 C638 | A633-L635 VanDerWaalsContact C-N 3.31Å; A633-L635 PolarHBondContact O-N 3.23Å; L635-G637 VanDerWaalsContact C-N 3.31Å; L635-G637 PolarHBondContact O-N 3.25Å; L635-G637 VanDerWaalsContact O-N 3.16Å; L635-C638 HydrophobicContact CB-CB 4.3Å | ||
| 636 | P | 28.4 | Very low | 42.9 | Very low | 122.333 Ų | 122.333 | 102.3 Ų | 102.3 | 79% | 0.794 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 91.2 | 171.2 | 29.8 | -34.2 | 0 | 0 | 0 | 110.6 | N634 | N634-P636 VanDerWaalsContact O-CD 3.27Å; N634-P636 WeakPolarHBondContact O-CD 3.35Å |
| 637 | G | 28.9 | Very low | 40.1 | Very low | 65 Ų | 65 | 109 Ų | 109 | 67% | 0.67 | 62% | 0.623 | S | S | * | * | trans | 121.3 | 70 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | L635 | L635-G637 VanDerWaalsContact C-N 3.31Å; L635-G637 PolarHBondContact O-N 3.25Å; L635-G637 VanDerWaalsContact O-N 3.16Å | ||
| 638 | C | 27.4 | Very low | 37.1 | Very low | 103.667 Ų | 103.667 | 113.4 Ų | 113.4 | 70% | 0.7 | 65% | 0.646 | S | S | * | * | trans | -126.5 | 27.8 | 162.5 | -163.6 | 0 | 0 | 0 | 0 | 112.4 | L635 T640 | L635-C638 HydrophobicContact CB-CB 4.3Å; C638-T640 VanDerWaalsContact C-N 3.28Å; C638-T640 PolarHBondContact O-N 3.02Å; C638-T640 VanDerWaalsContact O-N 3.08Å | ||
| 639 | C | 26.8 | Very low | 34.6 | Very low | 111 Ų | 111 | 115.2 Ų | 115.2 | 75% | 0.75 | 67% | 0.665 | S | S | * | * | trans | -111.6 | 27.7 | -175.9 | -74.8 | 0 | 0 | 0 | 0 | 114.5 | R641 F726 | C639-R641 PolarHBondContact O-N 3.35Å; C639-F726 HydrophobicContact CB-CE2 3.71Å; C639-F726 HydrophobicContact CB-CZ 3.63Å; C639-F726 WeakPolarHBondContact SG-CZ 3.49Å | ||
| 640 | T | 28.7 | Very low | 32.4 | Very low | 135.333 Ų | 135.333 | 119.7 Ų | 119.7 | 83% | 0.83 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | 84.8 | 166.1 | 29.6 | 0 | 0 | 0 | 0 | 113.2 | C638 G642 | C638-T640 VanDerWaalsContact C-N 3.28Å; C638-T640 PolarHBondContact O-N 3.02Å; C638-T640 VanDerWaalsContact O-N 3.08Å; T640-G642 PolarHBondContact O-N 2.87Å |
| 641 | R | 26.9 | Very low | 30.6 | Very low | 247.333 Ų | 247.333 | 124.2 Ų | 124.2 | 93% | 0.933 | 73% | 0.726 | S | S | * | * | trans | -80.6 | 63.1 | 177 | -134.1 | 176 | -179.2 | 162.2 | 0.5 | 115.7 | C639 | C639-R641 PolarHBondContact O-N 3.35Š| ||
| 642 | G | 26.4 | Very low | 29.7 | Very low | 70.3333 Ų | 70.3333 | 122.8 Ų | 122.8 | 73% | 0.725 | 74% | 0.736 | S | S | * | * | trans | -83.6 | 122.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | T640 | T640-G642 PolarHBondContact O-N 2.87Š| ||
| 643 | L | 27.5 | Very low | 29 | Very low | 153.667 Ų | 153.667 | 122.8 Ų | 122.8 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | trans | -142.7 | 86.3 | 162.7 | -99.1 | 168.1 | 0 | 0 | 0 | 112.1 | T645 P725 | L643-T645 HydrophobicContact CD2-CG2 3.86Å; L643-P725 HydrophobicContact CD1-CG 4.35Å | ||
| 644 | L | 25.9 | Very low | 28.7 | Very low | 168.667 Ų | 168.667 | 127.7 Ų | 127.7 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | trans | -116.4 | 114.8 | 160.5 | -76.4 | 176 | 0 | 0 | 0 | 109.4 | ||||
| 645 | T | 27.5 | Very low | 28.4 | Very low | 128.333 Ų | 128.333 | 131 Ų | 131 | 79% | 0.787 | 79% | 0.79 | S | S | * | * | trans | 172.5 | 97.4 | 160.6 | 52.1 | 0 | 0 | 0 | 0 | 112.2 | L643 N647 | L643-T645 HydrophobicContact CD2-CG2 3.86Å; T645-N647 PolarHBondContact O-N 2.85Å | ||
| 646 | S | 28.3 | Very low | 28.4 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -110.2 | 110.7 | 139.2 | 48.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 647 | N | 29.2 | Very low | 28.4 | Very low | 146.667 Ų | 146.667 | 131.6 Ų | 131.6 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | trans | -106.5 | 127.9 | 162.7 | -68.9 | -16.9 | 0 | 0 | 0 | 113.3 | T645 P649 | T645-N647 PolarHBondContact O-N 2.85Å; N647-P649 WeakPolarHBondContact O-CD 3.35Å | ||
| 648 | M | 25.8 | Very low | 28.6 | Very low | 182.667 Ų | 182.667 | 134.9 Ų | 134.9 | 90% | 0.9 | 80% | 0.797 | S | S | * | * | trans | -114.6 | 111.2 | 150.1 | -85.8 | -65.1 | 164.6 | 0 | 0 | 109.5 | ||||
| 649 | P | 31.3 | Very low | 28.8 | Very low | 119.333 Ų | 119.333 | 136.5 Ų | 136.5 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | -88.4 | 134.2 | 168.1 | 33.1 | -29.1 | 0 | 0 | 0 | 110.6 | N647 | N647-P649 WeakPolarHBondContact O-CD 3.35Š| ||
| 650 | V | 28.5 | Very low | 29.1 | Very low | 133.667 Ų | 133.667 | 137.1 Ų | 137.1 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -107.6 | 125.7 | 171.9 | 173.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 651 | S | 29.3 | Very low | 29.2 | Very low | 119.667 Ų | 119.667 | 137.5 Ų | 137.5 | 84% | 0.837 | 80% | 0.796 | S | S | * | * | trans | 77.4 | 141.9 | 164.4 | -63.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 652 | G | 31.1 | Very low | 29.4 | Very low | 71 Ų | 71 | 131.5 Ų | 131.5 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | trans | 147.3 | 83.4 | 150.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 653 | D | 27 | Very low | 29.7 | Very low | 154.667 Ų | 154.667 | 134.6 Ų | 134.6 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -66 | 141.8 | -174.1 | -56.3 | -78 | 0 | 0 | 0 | 114 | ||||
| 654 | V | 32.1 | Very low | 29.9 | Very low | 137.667 Ų | 137.667 | 130.7 Ų | 130.7 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -122.6 | 120.7 | 153.9 | 176.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 655 | N | 28.8 | Very low | 30.1 | Very low | 134 Ų | 134 | 129 Ų | 129 | 72% | 0.717 | 79% | 0.785 | S | S | * | * | trans | -104.2 | 136.6 | 163.2 | -88.7 | -47.5 | 0 | 0 | 0 | 112.6 | T657 | N655-T657 HydrophobicContact CB-CG2 4.28Š| ||
| 656 | I | 31.1 | Very low | 30.2 | Very low | 159 Ų | 159 | 128.8 Ų | 128.8 | 82% | 0.815 | 78% | 0.784 | S | S | * | * | trans | -168.3 | 125.3 | 142.1 | -75.8 | 165.2 | 0 | 0 | 0 | 111.9 | ||||
| 657 | T | 28.7 | Very low | 30.2 | Very low | 106.667 Ų | 106.667 | 127.2 Ų | 127.2 | 65% | 0.654 | 77% | 0.773 | S | S | * | * | trans | -124.9 | 140.8 | 178.2 | 46.2 | 0 | 0 | 0 | 0 | 116.7 | N655 N659 | N655-T657 HydrophobicContact CB-CG2 4.28Å; T657-N659 PolarHBondContact OG1-OD1 2.9Å | ||
| 658 | T | 32.5 | Very low | 30.1 | Very low | 133.333 Ų | 133.333 | 129.1 Ų | 129.1 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -167 | 107 | 146 | 36.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 659 | N | 30.8 | Very low | 30.1 | Very low | 137.333 Ų | 137.333 | 127.3 Ų | 127.3 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | 48.6 | 129.6 | 128.1 | -66 | -8.3 | 0 | 0 | 0 | 116.4 | T657 | T657-N659 PolarHBondContact OG1-OD1 2.9Š| |||
| 660 | T | 32.6 | Very low | 30 | Very low | 124 Ų | 124 | 127.5 Ų | 127.5 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | -124.1 | 147.8 | 111.2 | 53.4 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 661 | N | 31.6 | Very low | 30 | Very low | 143 Ų | 143 | 127 Ų | 127 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | trans | -104.4 | 147.8 | 163.9 | -71.6 | -23.4 | 0 | 0 | 0 | 115 | ||||
| 662 | T | 32.3 | Very low | 30 | Very low | 121.333 Ų | 121.333 | 125.5 Ų | 125.5 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | 175.4 | 139.3 | 96.5 | 22.2 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 663 | T | 32.8 | Very low | 30 | Very low | 135.667 Ų | 135.667 | 127.7 Ų | 127.7 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | 46.7 | 135.3 | 126.7 | 46.1 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 664 | G | 30.3 | Very low | 30.2 | Very low | 72.6667 Ų | 72.6667 | 126.1 Ų | 126.1 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | 124.6 | 171.6 | 111.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 665 | V | 29.8 | Very low | 30.2 | Very low | 132 Ų | 132 | 125.4 Ų | 125.4 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | cis | -156.2 | 143.7 | -28.5 | 170.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 666 | T | 29.4 | Very low | 30.3 | Very low | 124 Ų | 124 | 125 Ų | 125 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | trans | 28.2 | 143.1 | 164.2 | 47.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 667 | S | 28.6 | Very low | 30.4 | Very low | 83 Ų | 83 | 121.7 Ų | 121.7 | 58% | 0.58 | 75% | 0.749 | S | S | * | * | cis | 160.5 | 162.2 | 20 | 54 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 668 | F | 26.7 | Very low | 30.5 | Very low | 187 Ų | 187 | 123 Ų | 123 | 82% | 0.82 | 76% | 0.757 | S | S | * | * | 117.9 | 152.8 | 116.8 | -69.6 | -68.2 | 0 | 0 | 0 | 118.8 | |||||
| 669 | I | 27.6 | Very low | 30.4 | Very low | 145.333 Ų | 145.333 | 123 Ų | 123 | 75% | 0.745 | 76% | 0.757 | S | S | * | * | 82.1 | 103.9 | 119.2 | -65 | 165.9 | 0 | 0 | 0 | 118.5 | |||||
| 670 | T | 28.1 | Very low | 30.4 | Very low | 123 Ų | 123 | 119.7 Ų | 119.7 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | 92.1 | 144.9 | 114.9 | -48.8 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 671 | T | 29.2 | Very low | 30.3 | Very low | 123.333 Ų | 123.333 | 124.4 Ų | 124.4 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | trans | 161.7 | 123.6 | 156.5 | -23.8 | 0 | 0 | 0 | 0 | 117.1 | T673 | T671-T673 HydrophobicContact CG2-CG2 4.47Š| ||
| 672 | A | 30 | Very low | 30.1 | Very low | 87 Ų | 87 | 122.3 Ų | 122.3 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | trans | 95.6 | 155.5 | 137.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 673 | T | 29.4 | Very low | 29.9 | Very low | 116.667 Ų | 116.667 | 124.2 Ų | 124.2 | 72% | 0.716 | 76% | 0.761 | S | S | * | * | cis | 165.1 | 139.8 | -10.6 | 12.7 | 0 | 0 | 0 | 0 | 114.3 | T671 | T671-T673 HydrophobicContact CG2-CG2 4.47Š| ||
| 674 | T | 30.9 | Very low | 29.6 | Very low | 122.333 Ų | 122.333 | 122.3 Ų | 122.3 | 75% | 0.751 | 75% | 0.754 | S | S | * | * | trans | 63.3 | 134.4 | 152.4 | 50.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 675 | T | 32.9 | Very low | 29.5 | Very low | 123 Ų | 123 | 125 Ų | 125 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | cis | -168.9 | 144.1 | 34.5 | 9.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 676 | T | 31.5 | Very low | 29.5 | Very low | 126.333 Ų | 126.333 | 122.6 Ų | 122.6 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | 96.5 | 116.9 | 67.1 | 53.6 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 677 | A | 33.2 | Very low | 29.5 | Very low | 89 Ų | 89 | 122.4 Ų | 122.4 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | 98.1 | 126.9 | 118.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 678 | T | 30.5 | Very low | 29.6 | Very low | 134 Ų | 134 | 125.1 Ų | 125.1 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | cis | 170.8 | 149.6 | 17.3 | 22.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 679 | T | 30.5 | Very low | 29.6 | Very low | 133.667 Ų | 133.667 | 121.2 Ų | 121.2 | 82% | 0.82 | 75% | 0.751 | S | S | * | * | trans | -84.7 | 149.2 | 174.4 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | Y681 | T679-Y681 HydrophobicContact CG2-CE2 4.48Š| ||
| 680 | G | 29.7 | Very low | 29.8 | Very low | 67.3333 Ų | 67.3333 | 120.2 Ų | 120.2 | 69% | 0.694 | 75% | 0.752 | S | S | * | * | cis | -173.9 | 152 | -8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 681 | Y | 30.5 | Very low | 29.9 | Very low | 223 Ų | 223 | 122.1 Ų | 122.1 | 88% | 0.875 | 75% | 0.753 | S | S | * | * | trans | 64.1 | 169.1 | 174.6 | -64.3 | -80.6 | 0 | 0 | 0 | 117.7 | T679 | T679-Y681 HydrophobicContact CG2-CE2 4.48Š| ||
| 682 | S | 27.5 | Very low | 30 | Very low | 98 Ų | 98 | 122.3 Ų | 122.3 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | -140.3 | 148.3 | -118.6 | 52.4 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 683 | L | 28 | Very low | 30 | Very low | 161.333 Ų | 161.333 | 124.5 Ų | 124.5 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | 82.2 | 131.9 | 143.4 | -125.6 | 75 | 0 | 0 | 0 | 119.9 | ||||
| 684 | S | 28 | Very low | 30.1 | Very low | 96 Ų | 96 | 124.5 Ų | 124.5 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | trans | 84.5 | 145.4 | 138.2 | 61.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 685 | T | 28.6 | Very low | 30 | Very low | 129.667 Ų | 129.667 | 125.3 Ų | 125.3 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | -175.4 | 148.2 | 52.8 | -28.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 686 | A | 28.8 | Very low | 30 | Very low | 80.6667 Ų | 80.6667 | 124 Ų | 124 | 67% | 0.667 | 75% | 0.749 | S | S | * | * | trans | -88.9 | 168.4 | 148.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 687 | T | 30.2 | Very low | 29.8 | Very low | 120 Ų | 120 | 124.4 Ų | 124.4 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | cis | -169.1 | 163.8 | 40.1 | 40.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 688 | N | 29.6 | Very low | 29.6 | Very low | 139.667 Ų | 139.667 | 128 Ų | 128 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | 107.9 | 142.9 | 112.3 | -89.4 | -0.2 | 0 | 0 | 0 | 117.9 | |||||
| 689 | C | 26.9 | Very low | 29.4 | Very low | 105.667 Ų | 105.667 | 125.8 Ų | 125.8 | 71% | 0.714 | 74% | 0.74 | S | S | * | * | 106.2 | 164 | 112.4 | -87.1 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 690 | T | 31.7 | Very low | 29.3 | Very low | 124.333 Ų | 124.333 | 129.2 Ų | 129.2 | 76% | 0.763 | 74% | 0.739 | S | S | * | * | cis | -149.6 | 168.1 | 33.3 | 50.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 691 | Q | 29.8 | Very low | 29.4 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | cis | -139.9 | 165.6 | -49.3 | -92.5 | 160.7 | -39.6 | 0 | 0 | 108.4 | ||||
| 692 | T | 31.3 | Very low | 29.3 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | -176.5 | 160.6 | 99.1 | 39.4 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 693 | N | 29.9 | Very low | 29.3 | Very low | 133.333 Ų | 133.333 | 126.9 Ų | 126.9 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | cis | -146.7 | 154.2 | -45.5 | -90 | -2.7 | 0 | 0 | 0 | 108.2 | ||||
| 694 | T | 32.6 | Very low | 29.3 | Very low | 116 Ų | 116 | 122.7 Ų | 122.7 | 71% | 0.712 | 73% | 0.734 | S | S | * | * | -169.5 | 146.1 | 125.5 | 44.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 695 | N | 28.8 | Very low | 29.4 | Very low | 140 Ų | 140 | 123.9 Ų | 123.9 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | 90.9 | 136 | 122.4 | -69.2 | 8.7 | 0 | 0 | 0 | 114.8 | |||||
| 696 | S | 31.9 | Very low | 29.3 | Very low | 94.3333 Ų | 94.3333 | 128 Ų | 128 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | 73 | 140.7 | 95.8 | 92.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 697 | D | 28.5 | Very low | 29.3 | Very low | 135.333 Ų | 135.333 | 131.7 Ų | 131.7 | 72% | 0.724 | 75% | 0.746 | S | S | * | * | cis | -155.6 | 164.9 | 6.5 | -105.1 | -50.2 | 0 | 0 | 0 | 114 | ||||
| 698 | M | 28.8 | Very low | 29.2 | Very low | 164.333 Ų | 164.333 | 129.3 Ų | 129.3 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | 53 | 141.6 | 151.5 | -61.4 | -65.7 | 178.6 | 0 | 0 | 120.9 | ||||
| 699 | S | 26.8 | Very low | 29.3 | Very low | 88 Ų | 88 | 128.8 Ų | 128.8 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | cis | 164.5 | 150.9 | 11 | 68.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 700 | Y | 28.5 | Very low | 29.4 | Very low | 205 Ų | 205 | 128.2 Ų | 128.2 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | 154.6 | 135.5 | 140.5 | -99.7 | -76.7 | 0 | 0 | 0 | 114.9 | ||||
| 701 | T | 30.6 | Very low | 29.3 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 69% | 0.693 | 76% | 0.755 | S | S | * | * | trans | 63.1 | 149.4 | 164.7 | 45 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 702 | D | 27.6 | Very low | 29.2 | Very low | 160.333 Ų | 160.333 | 125.8 Ų | 125.8 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | cis | -163.4 | 168.1 | -5.5 | -145 | -8.3 | 0 | 0 | 0 | 107.8 | ||||
| 703 | G | 28.1 | Very low | 29.1 | Very low | 66 Ų | 66 | 124.9 Ų | 124.9 | 68% | 0.68 | 76% | 0.756 | S | S | * | * | cis | 169.1 | 171.6 | 24.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 704 | G | 29.2 | Very low | 28.9 | Very low | 74.3333 Ų | 74.3333 | 128.3 Ų | 128.3 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | trans | 132.3 | 90 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 705 | V | 28.6 | Very low | 28.7 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | cis | -120 | 130.3 | 15.8 | -177 | 0 | 0 | 0 | 0 | 109.8 | I707 | V705-I707 HydrophobicContact CG1-CD1 4.24Š| ||
| 706 | Y | 27.8 | Very low | 28.5 | Very low | 216.333 Ų | 216.333 | 129 Ų | 129 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | -142.2 | 142.6 | 86.4 | -94.9 | -86.3 | 0 | 0 | 0 | 109.3 | |||||
| 707 | I | 28.7 | Very low | 28.3 | Very low | 158.333 Ų | 158.333 | 129.4 Ų | 129.4 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | 65.2 | 112.4 | 70.8 | -60.1 | 174.8 | 0 | 0 | 0 | 112.7 | V705 | V705-I707 HydrophobicContact CG1-CD1 4.24Š| |||
| 708 | G | 26.6 | Very low | 28.3 | Very low | 71 Ų | 71 | 130.4 Ų | 130.4 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | trans | -174.4 | 129.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 709 | P | 33.3 | Very low | 28.1 | Very low | 127.333 Ų | 127.333 | 129.8 Ų | 129.8 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | -103.6 | 147.5 | -168.1 | 36.6 | -32.4 | 0 | 0 | 0 | 115.6 | ||||
| 710 | A | 27.6 | Very low | 28.2 | Very low | 94.6667 Ų | 94.6667 | 131.8 Ų | 131.8 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | trans | -149.5 | 149.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 711 | P | 31.1 | Very low | 28.2 | Very low | 122.667 Ų | 122.667 | 126.6 Ų | 126.6 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -114.6 | 160.2 | 132.1 | 36.7 | -27.6 | 0 | 0 | 0 | 112.4 | S713 | P711-S713 PolarHBondContact O-N 3.48Š| ||
| 712 | S | 27.2 | Very low | 28 | Very low | 115.333 Ų | 115.333 | 126.8 Ų | 126.8 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | trans | -65.4 | 131.1 | 178.7 | 52.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 713 | S | 28.4 | Very low | 28.1 | Very low | 108 Ų | 108 | 125.8 Ų | 125.8 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -117.1 | 109.9 | 159.2 | 55.1 | 0 | 0 | 0 | 0 | 114.2 | P711 | P711-S713 PolarHBondContact O-N 3.48Š| ||
| 714 | K | 27 | Very low | 28.2 | Very low | 204.667 Ų | 204.667 | 125.6 Ų | 125.6 | 89% | 0.89 | 76% | 0.761 | S | S | * | * | trans | -71.5 | 108.4 | 158.6 | -65.6 | 179 | 180 | 176.6 | 0 | 113.4 | N716 | K714-N716 PolarHBondContact O-N 3.17Š| ||
| 715 | T | 26.6 | Very low | 28.4 | Very low | 139.333 Ų | 139.333 | 127.3 Ų | 127.3 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | -80.1 | 124.4 | 157.7 | 46 | 0 | 0 | 0 | 0 | 109.9 | S717 | T715-S717 PolarHBondContact O-N 2.78Š| ||
| 716 | N | 26.6 | Very low | 28.6 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | -109.6 | 87.3 | -178.1 | -162.2 | 12.3 | 0 | 0 | 0 | 110.9 | K714 Q718 | K714-N716 PolarHBondContact O-N 3.17Å; N716-Q718 VanDerWaalsContact C-N 3.28Å; N716-Q718 PolarHBondContact ND2-NE2 3.05Å; N716-Q718 PolarHBondContact O-N 3.16Å; N716-Q718 VanDerWaalsContact O-N 3.13Å; N716-Q718 WeakPolarHBondContact OD1-CG 3.19Å | ||
| 717 | S | 26.7 | Very low | 29.1 | Very low | 102.333 Ų | 102.333 | 117.7 Ų | 117.7 | 72% | 0.716 | 71% | 0.713 | S | S | * | * | trans | -73.9 | 82.7 | 176.5 | 55.3 | 0 | 0 | 0 | 0 | 111.1 | T715 N719 | T715-S717 PolarHBondContact O-N 2.78Å; S717-N719 VanDerWaalsContact C-N 3.26Å; S717-N719 PolarHBondContact O-N 3.2Å | ||
| 718 | Q | 28.4 | Very low | 29.8 | Very low | 155.667 Ų | 155.667 | 112.3 Ų | 112.3 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | trans | -75.9 | 93.4 | 170.8 | -75.4 | -169.1 | -20.9 | 0 | 0 | 110.5 | N716 T720 | N716-Q718 VanDerWaalsContact C-N 3.28Å; N716-Q718 PolarHBondContact ND2-NE2 3.05Å; N716-Q718 PolarHBondContact O-N 3.16Å; N716-Q718 VanDerWaalsContact O-N 3.13Å; N716-Q718 WeakPolarHBondContact OD1-CG 3.19Å; Q718-T720 PolarHBondContact O-N 2.7Å; Q718-T720 VanDerWaalsContact O-N 3.1Å | ||
| 719 | N | 25.6 | Very low | 30.4 | Very low | 153.333 Ų | 153.333 | 111.1 Ų | 111.1 | 82% | 0.82 | 68% | 0.676 | S | S | * | * | trans | -60.6 | 102.5 | 167.2 | -74.5 | -20.4 | 0 | 0 | 0 | 109.6 | S717 S721 | S717-N719 VanDerWaalsContact C-N 3.26Å; S717-N719 PolarHBondContact O-N 3.2Å; N719-S721 VanDerWaalsContact C-N 3.31Å; N719-S721 PolarHBondContact O-N 3.01Å | ||
| 720 | T | 28.5 | Very low | 30.9 | Very low | 128.333 Ų | 128.333 | 106.4 Ų | 106.4 | 79% | 0.787 | 64% | 0.643 | S | S | * | * | trans | -76.4 | 104.2 | 163.1 | 41 | 0 | 0 | 0 | 0 | 108.4 | Q718 C722 | Q718-T720 PolarHBondContact O-N 2.7Å; Q718-T720 VanDerWaalsContact O-N 3.1Å; T720-C722 PolarHBondContact O-N 3.16Å | ||
| 721 | S | 27.5 | Very low | 31.8 | Very low | 96 Ų | 96 | 103.7 Ų | 103.7 | 67% | 0.671 | 63% | 0.625 | S | S | * | * | trans | -66.6 | 99.9 | -177.7 | 51.7 | 0 | 0 | 0 | 0 | 111.5 | N719 L723 | N719-S721 VanDerWaalsContact C-N 3.31Å; N719-S721 PolarHBondContact O-N 3.01Å; S721-L723 PolarHBondContact O-N 2.98Å | ||
| 722 | C | 26.9 | Very low | 32.7 | Very low | 118.667 Ų | 118.667 | 100.3 Ų | 100.3 | 80% | 0.802 | 60% | 0.6 | S | S | * | * | trans | -71.8 | 79.3 | 173.8 | 18.5 | 0 | 0 | 0 | 0 | 111.3 | T720 S724 | T720-C722 PolarHBondContact O-N 3.16Å; C722-S724 PolarHBondContact O-N 2.95Å | ||
| 723 | L | 29.2 | Very low | 34.1 | Very low | 138.333 Ų | 138.333 | 97.9 Ų | 97.9 | 72% | 0.724 | 58% | 0.578 | S | S | * | * | trans | -99.5 | 101.4 | -179.6 | -73.8 | 170.3 | 0 | 0 | 0 | 112.4 | S721 | S721-L723 PolarHBondContact O-N 2.98Š| ||
| 724 | S | 30.1 | Very low | 36 | Very low | 61.6667 Ų | 61.6667 | 96.6 Ų | 96.6 | 43% | 0.431 | 57% | 0.567 | S | S | . | * | trans | 178.3 | 105.9 | 151.8 | 56.9 | 0 | 0 | 0 | 0 | 112.3 | C722 F726 F990 | C722-S724 PolarHBondContact O-N 2.95Å; S724-F726 VanDerWaalsContact C-N 3.28Å; S724-F726 PolarHBondContact O-N 2.98Å; S724-F726 VanDerWaalsContact O-N 3.16Å; S724-F990 WeakPolarHBondContact OG-CZ 3.4Å | ||
| 725 | P | 34.8 | Very low | 38.5 | Very low | 110.333 Ų | 110.333 | 93.6 Ų | 93.6 | 72% | 0.716 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -73.7 | -6.3 | 177.4 | 14.5 | -13.7 | 0 | 0 | 0 | 113.8 | L643 L727 G728 | L643-P725 HydrophobicContact CD1-CG 4.35Å; P725-L727 VanDerWaalsContact C-N 3.31Å; P725-L727 PolarHBondContact O-N 3.11Å; P725-G728 PolarHBondContact O-N 2.82Å |
| 726 | F | 33 | Very low | 41.2 | Very low | 96.3333 Ų | 96.3333 | 90.4 Ų | 90.4 | 42% | 0.423 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -81.3 | -7.9 | -166.8 | -85.6 | -83.9 | 0 | 0 | 0 | 116.6 | C639 S724 T787 Y788 F987 | C639-F726 HydrophobicContact CB-CE2 3.71Å; C639-F726 HydrophobicContact CB-CZ 3.63Å; C639-F726 WeakPolarHBondContact SG-CZ 3.49Å; S724-F726 VanDerWaalsContact C-N 3.28Å; S724-F726 PolarHBondContact O-N 2.98Å; S724-F726 VanDerWaalsContact O-N 3.16Å; F726-T787 HydrophobicContact CE1-CG2 3.88Å; F726-T787 HydrophobicContact CZ-CG2 3.97Å; F726-Y788 HydrophobicContact CD1-CD2 4.14Å; F726-Y788 HydrophobicContact CD1-CE2 4Å; F726-Y788 AromaticContact CE1-CD1 3.91Å; F726-Y788 HydrophobicContact CE1-CD1 3.91Å; F726-Y788 AromaticContact CE1-CD2 3.79Å; F726-Y788 HydrophobicContact CE1-CD2 3.79Å; F726-Y788 AromaticContact CE1-CE1 3.84Å; F726-Y788 HydrophobicContact CE1-CE1 3.84Å; F726-Y788 AromaticContact CE1-CE2 3.71Å; F726-Y788 HydrophobicContact CE1-CE2 3.71Å; F726-Y788 AromaticContact CE1-CG 3.92Å; F726-Y788 HydrophobicContact CE1-CG 4.15Å; F726-Y788 AromaticContact CE1-CZ 3.78Å; F726-Y788 HydrophobicContact CZ-CE2 4.01Å; F726-F987 HydrophobicContact CB-CE2 4.45Å; F726-F987 HydrophobicContact CB-CZ 4.07Å; F726-F987 HydrophobicContact CD2-CE2 4.36Å; F726-F987 HydrophobicContact CD2-CZ 4.43Å; F726-F987 HydrophobicContact CG-CE2 4.45Å; F726-F987 HydrophobicContact CG-CZ 4.47Å |
| 727 | L | 38.3 | Very low | 44.1 | Very low | 39 Ų | 39 | 84.8 Ų | 84.8 | 20% | 0.204 | 50% | 0.496 | C | S | . | . | G | 310 helix | trans | -114.5 | 43 | 174.5 | -68.9 | 150.1 | 0 | 0 | 0 | 111.9 | P725 P729 L730 G731 W777 A784 Y788 F987 | P725-L727 VanDerWaalsContact C-N 3.31Å; P725-L727 PolarHBondContact O-N 3.11Å; L727-P729 CarbonylContact O-C 3.51Å; L727-P729 VanDerWaalsContact O-N 3.1Å; L727-L730 HydrophobicContact CB-CD1 4.23Å; L727-L730 HydrophobicContact CD2-CD1 3.78Å; L727-L730 HydrophobicContact CG-CD1 4.48Å; L727-L730 WeakPolarHBondContact O-CB 3.35Å; L727-L730 PolarHBondContact O-N 3.29Å; L727-G731 WeakPolarHBondContact O-CA 3.4Å; L727-G731 PolarHBondContact O-N 3.11Å; L727-W777 HydrophobicContact CD1-CE3 4.07Å; L727-W777 HydrophobicContact CD1-CZ3 3.86Å; L727-W777 HydrophobicContact CD2-CE3 4.48Å; L727-W777 HydrophobicContact CD2-CZ3 4.33Å; L727-A784 HydrophobicContact CD2-CB 3.94Å; L727-A784 HydrophobicContact CG-CB 4.37Å; L727-Y788 HydrophobicContact CD1-CE2 4.44Å; L727-F987 HydrophobicContact CD1-CE1 4Å; L727-F987 HydrophobicContact CD1-CE2 4.19Å; L727-F987 HydrophobicContact CD1-CZ 3.58Å; L727-F987 HydrophobicContact CD2-CD1 3.94Å; L727-F987 HydrophobicContact CD2-CE1 3.52Å; L727-F987 HydrophobicContact CD2-CZ 4Å; L727-F987 HydrophobicContact CG-CE1 4.3Å; L727-F987 HydrophobicContact CG-CZ 4.37Å |
| 728 | G | 42.9 | Very low | 47 | Very low | 45 Ų | 45 | 84.1 Ų | 84.1 | 46% | 0.464 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -42.2 | -148.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P725 L730 G731 | P725-G728 PolarHBondContact O-N 2.82Å; G728-L730 PolarHBondContact O-N 3.1Å; G728-L730 VanDerWaalsContact O-N 3.11Å; G728-G731 PolarHBondContact O-N 2.88Å |
| 729 | P | 39.1 | Very low | 50 | Low | 46 Ų | 46 | 80.5 Ų | 80.5 | 30% | 0.299 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -6.9 | 151.1 | -10.9 | 25.3 | 0 | 0 | 0 | 116.4 | A582 W586 L727 G731 I732 W777 | A582-P729 HydrophobicContact CB-CB 3.58Å; W586-P729 PolarHBondContact NE1-O 3.11Å; L727-P729 CarbonylContact O-C 3.51Å; L727-P729 VanDerWaalsContact O-N 3.1Å; P729-G731 PolarHBondContact O-N 2.82Å; P729-G731 VanDerWaalsContact O-N 3.11Å; P729-I732 PolarHBondContact O-N 3.1Å; P729-W777 HydrophobicContact CG-CH2 4.31Å |
| 730 | L | 43.4 | Very low | 53.2 | Low | 27 Ų | 27 | 73.2 Ų | 73.2 | 14% | 0.141 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -20.7 | -177.7 | -65.3 | 169.6 | 0 | 0 | 0 | 113.8 | A582 W586 L626 A633 L727 G728 I732 W777 A780 | A582-L730 HydrophobicContact CB-CD2 4.37Å; W586-L730 HydrophobicContact CZ2-CD2 3.92Å; L626-L730 HydrophobicContact CD2-CD2 4.18Å; A633-L730 HydrophobicContact CB-CD1 4.16Å; L727-L730 HydrophobicContact CB-CD1 4.23Å; L727-L730 HydrophobicContact CD2-CD1 3.78Å; L727-L730 HydrophobicContact CG-CD1 4.48Å; L727-L730 WeakPolarHBondContact O-CB 3.35Å; L727-L730 PolarHBondContact O-N 3.29Å; G728-L730 PolarHBondContact O-N 3.1Å; G728-L730 VanDerWaalsContact O-N 3.11Å; L730-I732 VanDerWaalsContact C-N 3.34Å; L730-I732 PolarHBondContact O-N 3.06Å; L730-I732 VanDerWaalsContact O-N 3.07Å; L730-W777 HydrophobicContact CB-CH2 4.23Å; L730-W777 HydrophobicContact CB-CZ3 3.97Å; L730-W777 HydrophobicContact CD1-CZ3 4.46Å; L730-W777 HydrophobicContact CD2-CD2 4.42Å; L730-W777 HydrophobicContact CD2-CE3 3.59Å; L730-W777 HydrophobicContact CD2-CH2 4.47Å; L730-W777 HydrophobicContact CD2-CZ3 3.63Å; L730-W777 HydrophobicContact CG-CE3 4.19Å; L730-W777 HydrophobicContact CG-CZ3 3.85Å; L730-W777 VanDerWaalsContact O-CH2 3.26Å; L730-W777 WeakPolarHBondContact O-CH2 3.37Å; L730-W777 WeakPolarHBondContact O-CZ3 3.43Å; L730-A780 HydrophobicContact CD1-CB 3.71Å |
| 731 | G | 45.6 | Very low | 56.3 | Low | 39 Ų | 39 | 69.2 Ų | 69.2 | 40% | 0.402 | 40% | 0.4 | S | S | . | . | trans | -74.4 | 1.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | L727 G728 P729 N733 P734 | L727-G731 WeakPolarHBondContact O-CA 3.4Å; L727-G731 PolarHBondContact O-N 3.11Å; G728-G731 PolarHBondContact O-N 2.88Å; P729-G731 PolarHBondContact O-N 2.82Å; P729-G731 VanDerWaalsContact O-N 3.11Å; G731-N733 PolarHBondContact O-N 3.15Å; G731-P734 WeakPolarHBondContact O-CD 3.32Å | ||
| 732 | I | 50.8 | Low | 59.4 | Low | 51.3333 Ų | 51.3333 | 65.3 Ų | 65.3 | 26% | 0.263 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -88.9 | 105.5 | -165.9 | -57.4 | -179.4 | 0 | 0 | 0 | 111.3 | Q583 W586 E587 P729 L730 P734 | Q583-I732 HydrophobicContact CB-CD1 3.64Å; Q583-I732 HydrophobicContact CG-CD1 4.01Å; Q583-I732 HydrophobicContact CG-CG2 4.27Å; W586-I732 HydrophobicContact CB-CB 4.35Å; W586-I732 HydrophobicContact CB-CG2 4.39Å; W586-I732 WeakPolarHBondContact CB-O 3.35Å; W586-I732 HydrophobicContact CG-CB 4.49Å; E587-I732 HydrophobicContact CG-CG2 4.12Å; P729-I732 PolarHBondContact O-N 3.1Å; L730-I732 VanDerWaalsContact C-N 3.34Å; L730-I732 PolarHBondContact O-N 3.06Å; L730-I732 VanDerWaalsContact O-N 3.07Å; I732-P734 VanDerWaalsContact C-CD 3.49Å |
| 733 | N | 57.1 | Low | 62.7 | Low | 64 Ų | 64 | 61.3 Ų | 61.3 | 34% | 0.342 | 34% | 0.341 | S | S | . | . | trans | 57.6 | 54 | 173.5 | -133.1 | -37 | 0 | 0 | 0 | 115.3 | G731 K735 R736 | G731-N733 PolarHBondContact O-N 3.15Å; N733-K735 VanDerWaalsContact C-N 3.26Å; N733-K735 PolarHBondContact O-N 3.21Å; N733-K735 VanDerWaalsContact O-N 3.14Å; N733-R736 HydrophobicContact CB-CB 4.22Å; N733-R736 VanDerWaalsContact O-CB 3.3Å; N733-R736 WeakPolarHBondContact O-CB 3.39Å; N733-R736 PolarHBondContact O-N 2.99Å; N733-R736 VanDerWaalsContact O-N 3.07Å; N733-R736 PolarHBondContact OD1-N 2.94Å; N733-R736 PolarHBondContact OD1-NH2 2.97Å | ||
| 734 | P | 68.7 | Low | 65.9 | Low | 80.6667 Ų | 80.6667 | 54.8 Ų | 54.8 | 52% | 0.524 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57 | -35.4 | -176.9 | 22.7 | -34.3 | 0 | 0 | 0 | 113.1 | G731 I732 R736 N737 Q738 | G731-P734 WeakPolarHBondContact O-CD 3.32Å; I732-P734 VanDerWaalsContact C-CD 3.49Å; P734-R736 VanDerWaalsContact C-N 3.25Å; P734-R736 PolarHBondContact O-N 3.23Å; P734-R736 VanDerWaalsContact O-N 3.08Å; P734-N737 PolarHBondContact O-N 3.01Å; P734-Q738 VanDerWaalsContact O-CB 3.28Å; P734-Q738 WeakPolarHBondContact O-CB 3.44Å; P734-Q738 PolarHBondContact O-N 3.22Å |
| 735 | K | 79.3 | Confident | 69.1 | Low | 143 Ų | 143 | 52.5 Ų | 52.5 | 62% | 0.622 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -54.9 | -34.7 | 175.8 | -64.1 | -172.8 | -178.9 | -175.9 | 0 | 112.7 | N733 M739 N893 | N733-K735 VanDerWaalsContact C-N 3.26Å; N733-K735 PolarHBondContact O-N 3.21Å; N733-K735 VanDerWaalsContact O-N 3.14Å; K735-M739 WeakPolarHBondContact O-CB 3.35Å; K735-M739 WeakPolarHBondContact O-CG 3.32Å; K735-M739 PolarHBondContact O-N 3.22Å; K735-M739 VanDerWaalsContact O-N 3.12Å; K735-N893 PolarHBondContact NZ-O 3.35Å |
| 736 | R | 83.8 | Confident | 72 | Confident | 72.3333 Ų | 72.3333 | 47.4 Ų | 47.4 | 27% | 0.273 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -75.7 | -42.4 | -179.9 | -167.6 | -172.9 | -78.2 | 167.1 | 7.1 | 112 | E587 P590 Q591 N733 P734 M739 A740 | E587-R736 PolarHBondContact O-NH1 3.13Å; E587-R736 IonicContact OE2-NH1 3.17Å; P590-R736 HydrophobicContact CB-CG 4.03Å; Q591-R736 HydrophobicContact CG-CG 4.46Å; N733-R736 HydrophobicContact CB-CB 4.22Å; N733-R736 VanDerWaalsContact O-CB 3.3Å; N733-R736 WeakPolarHBondContact O-CB 3.39Å; N733-R736 PolarHBondContact O-N 2.99Å; N733-R736 VanDerWaalsContact O-N 3.07Å; N733-R736 PolarHBondContact OD1-N 2.94Å; N733-R736 PolarHBondContact OD1-NH2 2.97Å; P734-R736 VanDerWaalsContact C-N 3.25Å; P734-R736 PolarHBondContact O-N 3.23Å; P734-R736 VanDerWaalsContact O-N 3.08Å; R736-M739 PolarHBondContact O-N 3.29Å; R736-A740 PolarHBondContact O-N 3.12Å; R736-A740 VanDerWaalsContact O-N 3.13Å |
| 737 | N | 87.4 | Confident | 75.1 | Confident | 12.6667 Ų | 12.6667 | 42.8 Ų | 42.8 | 7% | 0.068 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.3 | -43 | 173.9 | -162.2 | 55.9 | 0 | 0 | 0 | 110.9 | W586 P590 R622 P734 M739 A740 L741 E773 | W586-N737 HydrophobicContact CE3-CB 4.35Å; W586-N737 HydrophobicContact CZ3-CB 4.21Å; P590-N737 HydrophobicContact CG-CB 4.18Å; P590-N737 WeakPolarHBondContact CG-OD1 3.33Å; R622-N737 PolarHBondContact NH2-OD1 3.08Å; P734-N737 PolarHBondContact O-N 3.01Å; N737-M739 PolarHBondContact O-N 2.97Å; N737-A740 WeakPolarHBondContact O-CB 3.25Å; N737-A740 PolarHBondContact O-N 3.11Å; N737-A740 VanDerWaalsContact O-N 3.12Å; N737-L741 WeakPolarHBondContact ND2-CD1 3.17Å; N737-L741 WeakPolarHBondContact O-CG 3.39Å; N737-L741 PolarHBondContact O-N 3.04Å; N737-E773 PolarHBondContact ND2-OE1 3.19Å |
| 738 | Q | 86.8 | Confident | 77.9 | Confident | 86.6667 Ų | 86.6667 | 41 Ų | 41 | 41% | 0.405 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -54.3 | -49.5 | 173.5 | -178 | -176.4 | 19 | 0 | 0 | 112.3 | P734 A740 L741 I742 L891 | P734-Q738 VanDerWaalsContact O-CB 3.28Å; P734-Q738 WeakPolarHBondContact O-CB 3.44Å; P734-Q738 PolarHBondContact O-N 3.22Å; Q738-A740 VanDerWaalsContact C-N 3.29Å; Q738-A740 PolarHBondContact O-N 3.35Å; Q738-L741 PolarHBondContact O-N 3.08Å; Q738-I742 HydrophobicContact CG-CD1 3.9Å; Q738-I742 WeakPolarHBondContact O-CB 3.38Å; Q738-I742 WeakPolarHBondContact O-CD1 3.45Å; Q738-I742 VanDerWaalsContact O-CG1 3.24Å; Q738-I742 WeakPolarHBondContact O-CG1 3.24Å; Q738-I742 PolarHBondContact O-N 3.14Å; Q738-L891 HydrophobicContact CG-CD2 4.02Å; Q738-L891 VanDerWaalsContact NE2-CA 3.29Å; Q738-L891 PolarHBondContact NE2-O 2.91Å |
| 739 | M | 91.1 | Very high | 80.5 | Confident | 80 Ų | 80 | 38.8 Ų | 38.8 | 39% | 0.394 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.9 | -32.7 | 177.5 | -70.8 | -64.1 | 137.8 | 0 | 0 | 113 | Y594 K735 R736 N737 I742 K743 C892 | Y594-M739 HydrophobicContact CD2-CB 4.27Å; Y594-M739 HydrophobicContact CE2-CB 4.37Å; K735-M739 WeakPolarHBondContact O-CB 3.35Å; K735-M739 WeakPolarHBondContact O-CG 3.32Å; K735-M739 PolarHBondContact O-N 3.22Å; K735-M739 VanDerWaalsContact O-N 3.12Å; R736-M739 PolarHBondContact O-N 3.29Å; N737-M739 PolarHBondContact O-N 2.97Å; M739-I742 HydrophobicContact CE-CD1 3.9Å; M739-I742 HydrophobicContact SD-CD1 4.32Å; M739-K743 VanDerWaalsContact O-CG 3.31Å; M739-K743 WeakPolarHBondContact O-CG 3.36Å; M739-K743 PolarHBondContact O-N 3.26Å; M739-C892 HydrophobicContact CE-CB 4.39Å |
| 740 | A | 93.4 | Very high | 83.2 | Confident | 0.333333 Ų | 0.333333 | 36.7 Ų | 36.7 | 0% | 0.003 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.5 | -48 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P590 L593 R736 N737 Q738 I742 K743 L744 | P590-A740 HydrophobicContact CB-CB 3.99Å; P590-A740 WeakPolarHBondContact O-CB 3.39Å; L593-A740 HydrophobicContact CB-CB 4.09Å; R736-A740 PolarHBondContact O-N 3.12Å; R736-A740 VanDerWaalsContact O-N 3.13Å; N737-A740 WeakPolarHBondContact O-CB 3.25Å; N737-A740 PolarHBondContact O-N 3.11Å; N737-A740 VanDerWaalsContact O-N 3.12Å; Q738-A740 VanDerWaalsContact C-N 3.29Å; Q738-A740 PolarHBondContact O-N 3.35Å; A740-I742 PolarHBondContact O-N 3.36Å; A740-K743 PolarHBondContact O-N 3.14Å; A740-K743 VanDerWaalsContact O-N 3.12Å; A740-L744 WeakPolarHBondContact O-CG 3.34Å; A740-L744 PolarHBondContact O-N 3.28Å |
| 741 | L | 92.7 | Very high | 85.6 | Confident | 44 Ų | 44 | 35.7 Ų | 35.7 | 23% | 0.23 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.4 | -42.6 | 177.9 | -68.9 | 171.3 | 0 | 0 | 0 | 112.1 | N737 Q738 K743 L744 E745 L770 | N737-L741 WeakPolarHBondContact ND2-CD1 3.17Å; N737-L741 WeakPolarHBondContact O-CG 3.39Å; N737-L741 PolarHBondContact O-N 3.04Å; Q738-L741 PolarHBondContact O-N 3.08Å; L741-K743 VanDerWaalsContact C-N 3.3Å; L741-K743 PolarHBondContact O-N 3.02Å; L741-L744 HydrophobicContact CD2-CD1 4.38Å; L741-L744 PolarHBondContact O-N 3.17Å; L741-E745 WeakPolarHBondContact O-CB 3.26Å; L741-E745 PolarHBondContact O-N 3.27Å; L741-L770 HydrophobicContact CD2-CD2 3.78Å |
| 742 | I | 93.4 | Very high | 88 | Confident | 14 Ų | 14 | 33.9 Ų | 33.9 | 7% | 0.072 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.4 | -41.7 | 173.7 | -71.9 | 165.4 | 0 | 0 | 0 | 111.4 | Q738 M739 A740 T746 L891 Q1036 G1037 L1040 | Q738-I742 HydrophobicContact CG-CD1 3.9Å; Q738-I742 WeakPolarHBondContact O-CB 3.38Å; Q738-I742 WeakPolarHBondContact O-CD1 3.45Å; Q738-I742 VanDerWaalsContact O-CG1 3.24Å; Q738-I742 WeakPolarHBondContact O-CG1 3.24Å; Q738-I742 PolarHBondContact O-N 3.14Å; M739-I742 HydrophobicContact CE-CD1 3.9Å; M739-I742 HydrophobicContact SD-CD1 4.32Å; A740-I742 PolarHBondContact O-N 3.36Å; I742-T746 WeakPolarHBondContact O-CB 3.41Å; I742-T746 PolarHBondContact O-N 2.98Å; I742-T746 PolarHBondContact O-OG1 3.06Å; I742-L891 HydrophobicContact CD1-CB 4.1Å; I742-Q1036 HydrophobicContact CD1-CB 3.92Å; I742-Q1036 HydrophobicContact CD1-CG 4.12Å; I742-Q1036 HydrophobicContact CG1-CB 4.1Å; I742-Q1036 HydrophobicContact CG2-CB 4.08Å; I742-Q1036 HydrophobicContact CG2-CG 3.87Å; I742-G1037 WeakPolarHBondContact O-CA 3.34Å; I742-L1040 HydrophobicContact CG2-CD1 3.89Å |
| 743 | K | 95.7 | Very high | 90.1 | Very high | 36.6667 Ų | 36.6667 | 31.5 Ų | 31.5 | 16% | 0.159 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -72.2 | -35.5 | 177.4 | -67.8 | -71.5 | 177.4 | 173.8 | 0 | 112.4 | Y594 A597 I601 M739 A740 L741 T746 V747 | Y594-K743 HydrophobicContact CD2-CB 4.47Å; Y594-K743 HydrophobicContact CD2-CG 3.65Å; Y594-K743 HydrophobicContact CE2-CD 4.16Å; Y594-K743 HydrophobicContact CE2-CG 3.56Å; A597-K743 HydrophobicContact CB-CB 3.71Å; I601-K743 HydrophobicContact CD1-CB 4.49Å; I601-K743 HydrophobicContact CD1-CD 3.85Å; M739-K743 VanDerWaalsContact O-CG 3.31Å; M739-K743 WeakPolarHBondContact O-CG 3.36Å; M739-K743 PolarHBondContact O-N 3.26Å; A740-K743 PolarHBondContact O-N 3.14Å; A740-K743 VanDerWaalsContact O-N 3.12Å; L741-K743 VanDerWaalsContact C-N 3.3Å; L741-K743 PolarHBondContact O-N 3.02Å; K743-T746 WeakPolarHBondContact O-CB 3.46Å; K743-T746 PolarHBondContact O-N 3.39Å; K743-V747 WeakPolarHBondContact O-CG2 3.46Å; K743-V747 PolarHBondContact O-N 3.08Å |
| 744 | L | 97.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.5 | -46.3 | 174.3 | -69 | 168.7 | 0 | 0 | 0 | 111.4 | L593 A597 L615 L619 A740 L741 T746 V747 F748 L770 | L593-L744 HydrophobicContact CB-CD1 4.42Å; L593-L744 HydrophobicContact CD1-CD1 4.06Å; L593-L744 HydrophobicContact CD2-CD1 4.27Å; L593-L744 HydrophobicContact CD2-CD2 4.37Å; L593-L744 HydrophobicContact CG-CD1 4.48Å; A597-L744 HydrophobicContact CB-CD2 4.22Å; L615-L744 HydrophobicContact CD1-CD2 4.02Å; L615-L744 HydrophobicContact CD2-CD2 3.8Å; L615-L744 HydrophobicContact CG-CD2 4.22Å; L619-L744 HydrophobicContact CD1-CD1 4.47Å; L619-L744 HydrophobicContact CD2-CD1 3.91Å; A740-L744 WeakPolarHBondContact O-CG 3.34Å; A740-L744 PolarHBondContact O-N 3.28Å; L741-L744 HydrophobicContact CD2-CD1 4.38Å; L741-L744 PolarHBondContact O-N 3.17Å; L744-T746 VanDerWaalsContact C-N 3.31Å; L744-T746 PolarHBondContact O-N 2.93Å; L744-V747 WeakPolarHBondContact O-CB 3.39Å; L744-V747 PolarHBondContact O-N 3.21Å; L744-V747 VanDerWaalsContact O-N 3.13Å; L744-F748 HydrophobicContact CB-CE2 3.89Å; L744-F748 HydrophobicContact CB-CZ 4.06Å; L744-F748 HydrophobicContact CD2-CZ 4.14Å; L744-F748 WeakPolarHBondContact O-CD2 3.31Å; L744-F748 VanDerWaalsContact O-CG 3.24Å; L744-F748 WeakPolarHBondContact O-CG 3.34Å; L744-F748 PolarHBondContact O-N 3.09Å; L744-L770 HydrophobicContact CB-CD2 4.4Å |
| 745 | E | 96.1 | Very high | 92.9 | Very high | 13.6667 Ų | 13.6667 | 28.2 Ų | 28.2 | 6% | 0.064 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -53.6 | -48.4 | 170.6 | -179.8 | 179.4 | -139.2 | 0 | 0 | 110.9 | L741 V747 F748 F749 L770 Y1002 T1035 G1037 | L741-E745 WeakPolarHBondContact O-CB 3.26Å; L741-E745 PolarHBondContact O-N 3.27Å; E745-V747 PolarHBondContact O-N 2.93Å; E745-F748 PolarHBondContact O-N 3.13Å; E745-F749 HydrophobicContact CG-CD2 3.98Å; E745-F749 HydrophobicContact CG-CE2 3.71Å; E745-F749 WeakPolarHBondContact O-CD2 3.4Å; E745-F749 PolarHBondContact O-N 3.24Å; E745-F749 VanDerWaalsContact O-N 3.15Å; E745-L770 HydrophobicContact CB-CD1 4.34Å; E745-Y1002 WeakPolarHBondContact OE1-CE2 3.35Å; E745-Y1002 PolarHBondContact OE1-OH 3.17Å; E745-T1035 VanDerWaalsContact OE1-CB 3.26Å; E745-T1035 WeakPolarHBondContact OE1-CB 3.29Å; E745-T1035 PolarHBondContact OE1-OG1 3.32Å; E745-T1035 PolarHBondContact OE2-OG1 3.2Å; E745-T1035 VanDerWaalsContact OE2-OG1 3.05Å; E745-G1037 WeakPolarHBondContact OE2-CA 3.35Å; E745-G1037 PolarHBondContact OE2-N 3.2Å |
| 746 | T | 96.8 | Very high | 93.4 | Very high | 3.66667 Ų | 3.66667 | 24.4 Ų | 24.4 | 2% | 0.022 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.1 | -42.8 | 175.5 | -54.6 | 0 | 0 | 0 | 0 | 112.6 | I601 I742 K743 L744 T750 G1037 L1040 A1041 | I601-T746 HydrophobicContact CD1-CG2 3.7Å; I601-T746 HydrophobicContact CG1-CG2 4.07Å; I742-T746 WeakPolarHBondContact O-CB 3.41Å; I742-T746 PolarHBondContact O-N 2.98Å; I742-T746 PolarHBondContact O-OG1 3.06Å; K743-T746 WeakPolarHBondContact O-CB 3.46Å; K743-T746 PolarHBondContact O-N 3.39Å; L744-T746 VanDerWaalsContact C-N 3.31Å; L744-T746 PolarHBondContact O-N 2.93Å; T746-T750 WeakPolarHBondContact O-CB 3.28Å; T746-T750 PolarHBondContact O-N 3.19Å; T746-T750 VanDerWaalsContact O-N 3.11Å; T746-T750 PolarHBondContact O-OG1 3.34Å; T746-G1037 VanDerWaalsContact OG1-CA 3.31Å; T746-G1037 WeakPolarHBondContact OG1-CA 3.24Å; T746-G1037 PolarHBondContact OG1-O 3.24Å; T746-L1040 HydrophobicContact CG2-CB 4.17Å; T746-A1041 HydrophobicContact CG2-CB 4.28Å |
| 747 | V | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59 | -53 | 174.8 | 167 | 0 | 0 | 0 | 0 | 110.2 | A597 L600 I601 L612 K743 L744 E745 F749 T750 Y751 | A597-V747 HydrophobicContact CB-CG2 3.76Å; A597-V747 WeakPolarHBondContact O-CG2 3.4Å; L600-V747 HydrophobicContact CB-CG1 4.3Å; L600-V747 HydrophobicContact CB-CG2 3.98Å; L600-V747 HydrophobicContact CD1-CG1 4.06Å; L600-V747 HydrophobicContact CD1-CG2 4.45Å; I601-V747 HydrophobicContact CD1-CG2 4.15Å; I601-V747 HydrophobicContact CG1-CG2 3.7Å; L612-V747 HydrophobicContact CD1-CG1 4.03Å; K743-V747 WeakPolarHBondContact O-CG2 3.46Å; K743-V747 PolarHBondContact O-N 3.08Å; L744-V747 WeakPolarHBondContact O-CB 3.39Å; L744-V747 PolarHBondContact O-N 3.21Å; L744-V747 VanDerWaalsContact O-N 3.13Å; E745-V747 PolarHBondContact O-N 2.93Å; V747-F749 PolarHBondContact O-N 3.09Å; V747-T750 WeakPolarHBondContact O-CA 3.36Å; V747-T750 WeakPolarHBondContact O-CB 3.26Å; V747-T750 PolarHBondContact O-N 3.25Å; V747-Y751 HydrophobicContact CG1-CD2 3.85Å; V747-Y751 HydrophobicContact CG1-CE2 4.13Å; V747-Y751 WeakPolarHBondContact O-CD2 3.47Å; V747-Y751 PolarHBondContact O-N 2.93Å; V747-Y751 VanDerWaalsContact O-N 3.08Å |
| 748 | F | 97.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.8 | -45.2 | -170.9 | -56.5 | -34.1 | 0 | 0 | 0 | 111.3 | L612 L615 L619 L744 E745 T750 Y751 L752 S763 C766 F767 L770 | L612-F748 HydrophobicContact CD1-CD1 4.13Å; L612-F748 HydrophobicContact CD1-CE1 3.95Å; L615-F748 HydrophobicContact CD2-CE1 4.42Å; L619-F748 HydrophobicContact CD1-CE2 4.33Å; L619-F748 HydrophobicContact CD1-CZ 3.8Å; L744-F748 HydrophobicContact CB-CE2 3.89Å; L744-F748 HydrophobicContact CB-CZ 4.06Å; L744-F748 HydrophobicContact CD2-CZ 4.14Å; L744-F748 WeakPolarHBondContact O-CD2 3.31Å; L744-F748 VanDerWaalsContact O-CG 3.24Å; L744-F748 WeakPolarHBondContact O-CG 3.34Å; L744-F748 PolarHBondContact O-N 3.09Å; E745-F748 PolarHBondContact O-N 3.13Å; F748-T750 VanDerWaalsContact C-N 3.33Å; F748-T750 PolarHBondContact O-N 3.18Å; F748-Y751 PolarHBondContact O-N 2.99Å; F748-Y751 VanDerWaalsContact O-N 3.15Å; F748-L752 WeakPolarHBondContact O-CG 3.4Å; F748-L752 PolarHBondContact O-N 3.04Å; F748-S763 WeakPolarHBondContact CA-OG 3.28Å; F748-S763 WeakPolarHBondContact CB-OG 3.26Å; F748-S763 PolarHBondContact O-OG 3.25Å; F748-C766 HydrophobicContact CD1-CB 3.79Å; F748-C766 HydrophobicContact CD2-CB 3.89Å; F748-C766 HydrophobicContact CE1-CB 3.53Å; F748-C766 VanDerWaalsContact CE1-CB 3.48Å; F748-C766 HydrophobicContact CE2-CB 3.63Å; F748-C766 HydrophobicContact CG-CB 4Å; F748-C766 HydrophobicContact CZ-CB 3.46Å; F748-C766 VanDerWaalsContact CZ-CB 3.46Å; F748-F767 HydrophobicContact CB-CD2 4.19Å; F748-F767 HydrophobicContact CB-CE1 4.39Å; F748-F767 HydrophobicContact CB-CE2 3.58Å; F748-F767 HydrophobicContact CB-CZ 3.7Å; F748-L770 HydrophobicContact CD2-CD1 3.77Å; F748-L770 HydrophobicContact CD2-CG 4.31Å; F748-L770 HydrophobicContact CE2-CD1 3.89Å; F748-L770 HydrophobicContact CE2-CD2 4.22Å; F748-L770 HydrophobicContact CE2-CG 3.98Å |
| 749 | F | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.6 | -44 | 170.5 | -79.2 | -63.6 | 0 | 0 | 0 | 113.6 | E745 V747 Y751 L752 F767 Y1002 L1028 I1031 N1038 A1041 F1201 L1205 | E745-F749 HydrophobicContact CG-CD2 3.98Å; E745-F749 HydrophobicContact CG-CE2 3.71Å; E745-F749 WeakPolarHBondContact O-CD2 3.4Å; E745-F749 PolarHBondContact O-N 3.24Å; E745-F749 VanDerWaalsContact O-N 3.15Å; V747-F749 PolarHBondContact O-N 3.09Å; F749-Y751 PolarHBondContact O-N 3.05Å; F749-L752 HydrophobicContact CD1-CD1 4.03Å; F749-L752 WeakPolarHBondContact O-CB 3.37Å; F749-L752 PolarHBondContact O-N 3.27Å; F749-L752 VanDerWaalsContact O-N 3.15Å; F749-F767 HydrophobicContact CD1-CZ 4.07Å; F749-F767 HydrophobicContact CD2-CE1 4.42Å; F749-F767 HydrophobicContact CD2-CZ 4.2Å; F749-F767 HydrophobicContact CE1-CE1 4.33Å; F749-F767 AromaticContact CE1-CZ 3.97Å; F749-F767 HydrophobicContact CE1-CZ 4.02Å; F749-F767 AromaticContact CE2-CE1 3.96Å; F749-F767 HydrophobicContact CE2-CE1 3.98Å; F749-F767 HydrophobicContact CE2-CZ 4.13Å; F749-F767 HydrophobicContact CG-CZ 4.15Å; F749-F767 AromaticContact CZ-CE1 3.93Å; F749-F767 HydrophobicContact CZ-CE1 3.93Å; F749-F767 HydrophobicContact CZ-CZ 4.05Å; F749-Y1002 HydrophobicContact CE2-CE1 4.33Å; F749-Y1002 AromaticContact CE2-CZ 3.88Å; F749-Y1002 VanDerWaalsContact CE2-OH 3.24Å; F749-Y1002 WeakPolarHBondContact CE2-OH 3.24Å; F749-Y1002 AromaticContact CZ-CE1 3.65Å; F749-Y1002 HydrophobicContact CZ-CE1 3.65Å; F749-Y1002 AromaticContact CZ-CZ 3.67Å; F749-Y1002 VanDerWaalsContact CZ-OH 3.26Å; F749-Y1002 WeakPolarHBondContact CZ-OH 3.31Å; F749-L1028 HydrophobicContact CD1-CD2 3.9Å; F749-L1028 HydrophobicContact CE1-CD2 3.58Å; F749-I1031 HydrophobicContact CE1-CD1 3.75Å; F749-I1031 HydrophobicContact CZ-CD1 3.87Å; F749-N1038 HydrophobicContact CD2-CB 4.01Å; F749-N1038 HydrophobicContact CE2-CB 3.42Å; F749-N1038 VanDerWaalsContact CE2-CB 3.43Å; F749-N1038 HydrophobicContact CZ-CB 3.82Å; F749-A1041 HydrophobicContact CB-CB 3.41Å; F749-A1041 VanDerWaalsContact CB-CB 3.41Å; F749-A1041 HydrophobicContact CD2-CB 4.2Å; F749-A1041 HydrophobicContact CG-CB 4.07Å; F749-F1201 HydrophobicContact CB-CE2 4.22Å; F749-F1201 HydrophobicContact CB-CZ 4.02Å; F749-F1201 HydrophobicContact CD1-CE2 4.13Å; F749-F1201 HydrophobicContact CD1-CZ 4.35Å; F749-F1201 WeakPolarHBondContact O-CE2 3.38Å; F749-L1205 HydrophobicContact CD1-CD2 4.04Å; F749-L1205 HydrophobicContact CE1-CD2 4.22Å |
| 750 | T | 95.4 | Very high | 94.2 | Very high | 0.666667 Ų | 0.666667 | 20.3 Ų | 20.3 | 0% | 0.004 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.9 | -27.4 | 179.9 | -57.1 | 0 | 0 | 0 | 0 | 112.6 | T746 V747 F748 W753 | T746-T750 WeakPolarHBondContact O-CB 3.28Å; T746-T750 PolarHBondContact O-N 3.19Å; T746-T750 VanDerWaalsContact O-N 3.11Å; T746-T750 PolarHBondContact O-OG1 3.34Å; V747-T750 WeakPolarHBondContact O-CA 3.36Å; V747-T750 WeakPolarHBondContact O-CB 3.26Å; V747-T750 PolarHBondContact O-N 3.25Å; F748-T750 VanDerWaalsContact C-N 3.33Å; F748-T750 PolarHBondContact O-N 3.18Å; T750-W753 HydrophobicContact CG2-CZ2 3.87Å; T750-W753 VanDerWaalsContact O-CE2 3.28Å; T750-W753 PolarHBondContact O-NE1 2.91Å |
| 751 | Y | 95.5 | Very high | 94.2 | Very high | 7 Ų | 7 | 21.9 Ų | 21.9 | 3% | 0.027 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -87.7 | -12.4 | 177.6 | -84.4 | -87.5 | 0 | 0 | 0 | 114.6 | L600 S608 L612 V747 F748 F749 W753 S754 A759 V760 | L600-Y751 HydrophobicContact CB-CE2 4.3Å; L600-Y751 HydrophobicContact CD2-CE2 4.45Å; S608-Y751 VanDerWaalsContact CB-OH 3.27Å; S608-Y751 WeakPolarHBondContact CB-OH 3.34Å; S608-Y751 PolarHBondContact OG-OH 2.97Å; L612-Y751 HydrophobicContact CD2-CD1 4.18Å; L612-Y751 HydrophobicContact CD2-CD2 4.45Å; L612-Y751 HydrophobicContact CD2-CG 4.07Å; V747-Y751 HydrophobicContact CG1-CD2 3.85Å; V747-Y751 HydrophobicContact CG1-CE2 4.13Å; V747-Y751 WeakPolarHBondContact O-CD2 3.47Å; V747-Y751 PolarHBondContact O-N 2.93Å; V747-Y751 VanDerWaalsContact O-N 3.08Å; F748-Y751 PolarHBondContact O-N 2.99Å; F748-Y751 VanDerWaalsContact O-N 3.15Å; F749-Y751 PolarHBondContact O-N 3.05Å; Y751-W753 VanDerWaalsContact C-N 3.27Å; Y751-W753 PolarHBondContact O-N 3.07Å; Y751-S754 VanDerWaalsContact O-CB 3.23Å; Y751-S754 WeakPolarHBondContact O-CB 3.36Å; Y751-S754 PolarHBondContact O-N 2.89Å; Y751-S754 VanDerWaalsContact O-N 3.17Å; Y751-A759 HydrophobicContact CD1-CB 3.89Å; Y751-A759 HydrophobicContact CE1-CB 4.4Å; Y751-V760 WeakPolarHBondContact O-CG2 3.38Å |
| 752 | L | 96.1 | Very high | 94.3 | Very high | 1.33333 Ų | 1.33333 | 20 Ų | 20 | 1% | 0.007 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.2 | -25.9 | 176.9 | -66.2 | -179.7 | 0 | 0 | 0 | 113.5 | F748 F749 M764 F767 R1017 Q1021 I1024 L1028 | F748-L752 WeakPolarHBondContact O-CG 3.4Å; F748-L752 PolarHBondContact O-N 3.04Å; F749-L752 HydrophobicContact CD1-CD1 4.03Å; F749-L752 WeakPolarHBondContact O-CB 3.37Å; F749-L752 PolarHBondContact O-N 3.27Å; F749-L752 VanDerWaalsContact O-N 3.15Å; L752-M764 HydrophobicContact CD2-CG 3.53Å; L752-F767 HydrophobicContact CD1-CE2 4.2Å; L752-F767 HydrophobicContact CD1-CZ 4.45Å; L752-F767 HydrophobicContact CD2-CE2 4.37Å; L752-F767 HydrophobicContact CG-CE2 4.47Å; L752-R1017 PolarHBondContact O-NH2 3.04Å; L752-Q1021 PolarHBondContact O-OE1 3.39Å; L752-I1024 HydrophobicContact CB-CG2 4.11Å; L752-I1024 HydrophobicContact CD1-CG2 4.25Å; L752-I1024 HydrophobicContact CD2-CD1 4.48Å; L752-L1028 HydrophobicContact CD1-CD1 4.48Å; L752-L1028 HydrophobicContact CD1-CD2 4.08Å |
| 753 | W | 94.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 3.1 | 176.9 | 54.2 | -101.5 | 0 | 0 | 0 | 114.3 | R603 T750 Y751 T1045 I1048 E1194 N1197 M1198 F1201 | R603-W753 VanDerWaalsContact NH2-CH2 3.35Å; T750-W753 HydrophobicContact CG2-CZ2 3.87Å; T750-W753 VanDerWaalsContact O-CE2 3.28Å; T750-W753 PolarHBondContact O-NE1 2.91Å; Y751-W753 VanDerWaalsContact C-N 3.27Å; Y751-W753 PolarHBondContact O-N 3.07Å; W753-T1045 HydrophobicContact CD2-CG2 4.47Å; W753-T1045 HydrophobicContact CZ2-CG2 3.89Å; W753-T1045 PolarHBondContact NE1-OG1 3.19Å; W753-T1045 VanDerWaalsContact NE1-OG1 3.09Å; W753-I1048 HydrophobicContact CH2-CD1 3.91Å; W753-I1048 HydrophobicContact CH2-CG2 4.28Å; W753-I1048 HydrophobicContact CZ2-CD1 4.1Å; W753-E1194 HydrophobicContact CE3-CG 3.88Å; W753-E1194 HydrophobicContact CZ3-CG 3.66Å; W753-E1194 WeakPolarHBondContact CZ3-OE1 3.37Å; W753-N1197 HydrophobicContact CB-CB 3.87Å; W753-N1197 VanDerWaalsContact O-CB 3.29Å; W753-N1197 WeakPolarHBondContact O-CB 3.28Å; W753-N1197 PolarHBondContact O-ND2 3.19Å; W753-N1197 VanDerWaalsContact O-ND2 3.11Å; W753-M1198 HydrophobicContact CD2-CG 3.58Å; W753-M1198 HydrophobicContact CD2-SD 4.47Å; W753-M1198 HydrophobicContact CE3-CG 3.37Å; W753-M1198 HydrophobicContact CE3-SD 4.11Å; W753-M1198 HydrophobicContact CG-CG 4.23Å; W753-M1198 HydrophobicContact CH2-CG 3.86Å; W753-M1198 HydrophobicContact CH2-SD 3.52Å; W753-M1198 VanDerWaalsContact CH2-SD 3.52Å; W753-M1198 HydrophobicContact CZ2-CG 4.05Å; W753-M1198 HydrophobicContact CZ2-SD 4Å; W753-M1198 HydrophobicContact CZ3-CE 4.43Å; W753-M1198 HydrophobicContact CZ3-CG 3.51Å; W753-M1198 VanDerWaalsContact CZ3-CG 3.45Å; W753-M1198 HydrophobicContact CZ3-SD 3.57Å; W753-M1198 VanDerWaalsContact CZ3-SD 3.57Å; W753-F1201 HydrophobicContact CB-CB 4.36Å; W753-F1201 AromaticContact CD1-CD1 3.98Å; W753-F1201 AromaticContact CD1-CD2 3.73Å; W753-F1201 AromaticContact CD1-CG 3.7Å; W753-F1201 HydrophobicContact CG-CG 4.48Å |
| 754 | S | 92.9 | Very high | 94.4 | Very high | 13 Ų | 13 | 17.6 Ų | 17.6 | 9% | 0.091 | 9% | 0.091 | C | C | . | . | trans | -59.1 | 147.6 | 175.4 | -175.8 | 0 | 0 | 0 | 0 | 112.4 | Y751 D756 V760 R1017 | Y751-S754 VanDerWaalsContact O-CB 3.23Å; Y751-S754 WeakPolarHBondContact O-CB 3.36Å; Y751-S754 PolarHBondContact O-N 2.89Å; Y751-S754 VanDerWaalsContact O-N 3.17Å; S754-D756 VanDerWaalsContact C-N 3.35Å; S754-D756 PolarHBondContact OG-N 3.12Å; S754-V760 WeakPolarHBondContact O-CG2 3.28Å; S754-R1017 PolarHBondContact O-NE 3.2Å; S754-R1017 PolarHBondContact O-NH2 3.28Å | ||
| 755 | L | 91.1 | Very high | 94.3 | Very high | 62.3333 Ų | 62.3333 | 18.6 Ų | 18.6 | 33% | 0.326 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -71.1 | -35.3 | 170 | -61.6 | 179.4 | 0 | 0 | 0 | 111.6 | L757 D1190 N1193 E1194 | L755-L757 PolarHBondContact O-N 3.2Å; L755-L757 VanDerWaalsContact O-N 3.16Å; L755-D1190 HydrophobicContact CD1-CB 3.96Å; L755-N1193 HydrophobicContact CD2-CB 3.84Å; L755-E1194 HydrophobicContact CD1-CB 4.29Å; L755-E1194 HydrophobicContact CD2-CB 4.44Å; L755-E1194 HydrophobicContact CG-CB 4.24Å |
| 756 | D | 89.7 | Confident | 94.4 | Very high | 63.3333 Ų | 63.3333 | 18 Ų | 18 | 34% | 0.339 | 10% | 0.095 | S | C | . | . | trans | -64.9 | 113.2 | 176.6 | 175.6 | 2.4 | 0 | 0 | 0 | 111.3 | C609 S754 E758 A759 V760 | C609-D756 VanDerWaalsContact CB-OD2 3.27Å; C609-D756 WeakPolarHBondContact CB-OD2 3.36Å; C609-D756 PolarHBondContact SG-OD2 3.38Å; S754-D756 VanDerWaalsContact C-N 3.35Å; S754-D756 PolarHBondContact OG-N 3.12Å; D756-E758 WeakPolarHBondContact OD1-CB 3.28Å; D756-E758 PolarHBondContact OD1-N 3.28Å; D756-A759 HydrophobicContact CB-CB 4.01Å; D756-A759 PolarHBondContact O-N 2.9Å; D756-A759 PolarHBondContact OD1-N 3.21Å; D756-A759 VanDerWaalsContact OD1-N 3.16Å; D756-A759 VanDerWaalsContact OD2-CB 3.28Å; D756-A759 WeakPolarHBondContact OD2-CB 3.38Å; D756-A759 PolarHBondContact OD2-N 3.5Å; D756-V760 VanDerWaalsContact O-CG2 3.3Å; D756-V760 WeakPolarHBondContact O-CG2 3.27Å; D756-V760 PolarHBondContact O-N 3.15Å; D756-V760 VanDerWaalsContact O-N 3.12Å | ||
| 757 | L | 89.6 | Confident | 94.4 | Very high | 65.6667 Ų | 65.6667 | 17.8 Ų | 17.8 | 34% | 0.344 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -63.9 | -38.2 | 179.2 | -177.2 | 63.8 | 0 | 0 | 0 | 112.8 | L755 A759 V760 L761 I1012 R1017 L1020 | L755-L757 PolarHBondContact O-N 3.2Å; L755-L757 VanDerWaalsContact O-N 3.16Å; L757-A759 VanDerWaalsContact C-N 3.3Å; L757-A759 PolarHBondContact O-N 3.01Å; L757-V760 PolarHBondContact O-N 3.03Å; L757-L761 HydrophobicContact CD1-CD1 4.03Å; L757-L761 HydrophobicContact CD1-CD2 4.44Å; L757-L761 HydrophobicContact CD1-CG 4.06Å; L757-L761 HydrophobicContact CG-CD1 4Å; L757-L761 HydrophobicContact CG-CG 4.38Å; L757-L761 WeakPolarHBondContact O-CB 3.23Å; L757-L761 VanDerWaalsContact O-CG 3.22Å; L757-L761 WeakPolarHBondContact O-CG 3.28Å; L757-L761 PolarHBondContact O-N 3.3Å; L757-I1012 HydrophobicContact CD1-CD1 3.66Å; L757-I1012 HydrophobicContact CD1-CG1 4.08Å; L757-I1012 HydrophobicContact CD2-CD1 4.27Å; L757-I1012 HydrophobicContact CD2-CG1 4.11Å; L757-I1012 HydrophobicContact CG-CD1 4.31Å; L757-R1017 HydrophobicContact CD1-CB 4.11Å; L757-R1017 HydrophobicContact CD1-CG 4.42Å; L757-L1020 HydrophobicContact CD1-CD2 3.83Å |
| 758 | E | 90 | Very high | 94.3 | Very high | 100.667 Ų | 100.667 | 21.3 Ų | 21.3 | 47% | 0.47 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -68.4 | -38.3 | 179.7 | -65.9 | -162.3 | 156.4 | 0 | 0 | 111.1 | C609 K613 D756 L761 T762 | C609-E758 VanDerWaalsContact SG-CB 3.59Å; K613-E758 VanDerWaalsContact CE-OE2 3.25Å; K613-E758 WeakPolarHBondContact CE-OE2 3.27Å; K613-E758 IonicContact NZ-OE2 3.5Å; K613-E758 PolarHBondContact NZ-OE2 3.18Å; D756-E758 WeakPolarHBondContact OD1-CB 3.28Å; D756-E758 PolarHBondContact OD1-N 3.28Å; E758-L761 PolarHBondContact O-N 3.19Å; E758-T762 VanDerWaalsContact O-CB 3.24Å; E758-T762 WeakPolarHBondContact O-CB 3.36Å; E758-T762 PolarHBondContact O-N 3.21Å; E758-T762 PolarHBondContact O-OG1 3.17Å |
| 759 | A | 92.7 | Very high | 94.2 | Very high | 0.666667 Ų | 0.666667 | 22 Ų | 22 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.5 | -40 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | C609 L612 Y751 D756 L757 S763 | C609-A759 HydrophobicContact CB-CB 4.32Å; C609-A759 PolarHBondContact SG-N 3.29Å; C609-A759 VanDerWaalsContact SG-N 3.43Å; L612-A759 HydrophobicContact CD2-CB 4.32Å; L612-A759 VanDerWaalsContact CD2-O 3.29Å; L612-A759 WeakPolarHBondContact CD2-O 3.35Å; Y751-A759 HydrophobicContact CD1-CB 3.89Å; Y751-A759 HydrophobicContact CE1-CB 4.4Å; D756-A759 HydrophobicContact CB-CB 4.01Å; D756-A759 PolarHBondContact O-N 2.9Å; D756-A759 PolarHBondContact OD1-N 3.21Å; D756-A759 VanDerWaalsContact OD1-N 3.16Å; D756-A759 VanDerWaalsContact OD2-CB 3.28Å; D756-A759 WeakPolarHBondContact OD2-CB 3.38Å; D756-A759 PolarHBondContact OD2-N 3.5Å; L757-A759 VanDerWaalsContact C-N 3.3Å; L757-A759 PolarHBondContact O-N 3.01Å; A759-S763 VanDerWaalsContact O-CB 3.25Å; A759-S763 WeakPolarHBondContact O-CB 3.3Å; A759-S763 PolarHBondContact O-N 3.03Å |
| 760 | V | 93.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.6 | -51.1 | 174 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | Y751 S754 D756 L757 T762 S763 M764 L1020 I1024 | Y751-V760 WeakPolarHBondContact O-CG2 3.38Å; S754-V760 WeakPolarHBondContact O-CG2 3.28Å; D756-V760 VanDerWaalsContact O-CG2 3.3Å; D756-V760 WeakPolarHBondContact O-CG2 3.27Å; D756-V760 PolarHBondContact O-N 3.15Å; D756-V760 VanDerWaalsContact O-N 3.12Å; L757-V760 PolarHBondContact O-N 3.03Å; V760-T762 PolarHBondContact O-N 3.26Å; V760-S763 WeakPolarHBondContact O-CB 3.17Å; V760-S763 PolarHBondContact O-N 2.85Å; V760-M764 HydrophobicContact CG1-CG 4.46Å; V760-M764 HydrophobicContact CG1-SD 4Å; V760-M764 WeakPolarHBondContact O-CG 3.41Å; V760-M764 PolarHBondContact O-N 3.09Å; V760-L1020 HydrophobicContact CB-CD2 4.4Å; V760-L1020 HydrophobicContact CG1-CD2 3.8Å; V760-I1024 HydrophobicContact CG1-CD1 3.54Å; V760-I1024 VanDerWaalsContact CG1-CD1 3.47Å |
| 761 | L | 93 | Very high | 94 | Very high | 32.3333 Ų | 32.3333 | 22.8 Ų | 22.8 | 17% | 0.169 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.2 | -41.2 | -179.3 | -70.5 | 171.8 | 0 | 0 | 0 | 112.3 | L757 E758 S763 M764 S765 L898 S1009 I1012 L1020 | L757-L761 HydrophobicContact CD1-CD1 4.03Å; L757-L761 HydrophobicContact CD1-CD2 4.44Å; L757-L761 HydrophobicContact CD1-CG 4.06Å; L757-L761 HydrophobicContact CG-CD1 4Å; L757-L761 HydrophobicContact CG-CG 4.38Å; L757-L761 WeakPolarHBondContact O-CB 3.23Å; L757-L761 VanDerWaalsContact O-CG 3.22Å; L757-L761 WeakPolarHBondContact O-CG 3.28Å; L757-L761 PolarHBondContact O-N 3.3Å; E758-L761 PolarHBondContact O-N 3.19Å; L761-S763 VanDerWaalsContact C-N 3.35Å; L761-M764 PolarHBondContact O-N 3.1Å; L761-S765 PolarHBondContact O-N 3.22Å; L761-L898 HydrophobicContact CB-CD1 3.6Å; L761-L898 HydrophobicContact CD1-CD1 4.45Å; L761-S1009 WeakPolarHBondContact CD2-O 3.17Å; L761-I1012 HydrophobicContact CD1-CB 4.41Å; L761-I1012 HydrophobicContact CD1-CD1 4.24Å; L761-I1012 HydrophobicContact CD1-CG1 4.37Å; L761-I1012 HydrophobicContact CD1-CG2 3.92Å; L761-I1012 HydrophobicContact CD2-CB 4.11Å; L761-I1012 HydrophobicContact CD2-CD1 3.61Å; L761-I1012 VanDerWaalsContact CD2-CD1 3.48Å; L761-I1012 HydrophobicContact CD2-CG1 4.41Å; L761-I1012 HydrophobicContact CD2-CG2 4Å; L761-I1012 HydrophobicContact CG-CD1 4.18Å; L761-L1020 HydrophobicContact CD2-CD2 3.88Å |
| 762 | T | 94.8 | Very high | 93.9 | Very high | 6 Ų | 6 | 25.5 Ų | 25.5 | 4% | 0.037 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 175 | -56.9 | 0 | 0 | 0 | 0 | 110.3 | L612 K613 R616 E758 V760 M764 S765 C766 | L612-T762 HydrophobicContact CB-CG2 4.43Å; L612-T762 HydrophobicContact CD2-CG2 4.3Å; L612-T762 HydrophobicContact CG-CG2 3.88Å; K613-T762 HydrophobicContact CG-CG2 4.22Å; R616-T762 HydrophobicContact CB-CG2 4.41Å; E758-T762 VanDerWaalsContact O-CB 3.24Å; E758-T762 WeakPolarHBondContact O-CB 3.36Å; E758-T762 PolarHBondContact O-N 3.21Å; E758-T762 PolarHBondContact O-OG1 3.17Å; V760-T762 PolarHBondContact O-N 3.26Å; T762-M764 PolarHBondContact O-N 3.27Å; T762-S765 PolarHBondContact O-N 3.25Å; T762-S765 VanDerWaalsContact O-N 3.16Å; T762-S765 PolarHBondContact O-OG 3.05Å; T762-C766 PolarHBondContact O-N 3.11Å; T762-C766 VanDerWaalsContact O-N 3.1Å; T762-C766 PolarHBondContact O-SG 3.14Å |
| 763 | S | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.5 | -49.2 | 175.3 | -176.3 | 0 | 0 | 0 | 0 | 112.6 | F748 A759 V760 L761 S765 C766 F767 | F748-S763 WeakPolarHBondContact CA-OG 3.28Å; F748-S763 WeakPolarHBondContact CB-OG 3.26Å; F748-S763 PolarHBondContact O-OG 3.25Å; A759-S763 VanDerWaalsContact O-CB 3.25Å; A759-S763 WeakPolarHBondContact O-CB 3.3Å; A759-S763 PolarHBondContact O-N 3.03Å; V760-S763 WeakPolarHBondContact O-CB 3.17Å; V760-S763 PolarHBondContact O-N 2.85Å; L761-S763 VanDerWaalsContact C-N 3.35Å; S763-S765 VanDerWaalsContact C-N 3.29Å; S763-S765 PolarHBondContact O-N 3.19Å; S763-C766 WeakPolarHBondContact O-CB 3.33Å; S763-C766 PolarHBondContact O-N 3.22Å; S763-C766 VanDerWaalsContact O-N 3.1Å; S763-F767 WeakPolarHBondContact O-CD2 3.39Å; S763-F767 PolarHBondContact O-N 3.35Å |
| 764 | M | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.1 | -44.2 | 175.6 | -69.6 | 174.9 | 72.7 | 0 | 0 | 111.2 | L752 V760 L761 T762 C766 F767 I1005 A1006 H1008 I1012 L1020 I1024 | L752-M764 HydrophobicContact CD2-CG 3.53Å; V760-M764 HydrophobicContact CG1-CG 4.46Å; V760-M764 HydrophobicContact CG1-SD 4Å; V760-M764 WeakPolarHBondContact O-CG 3.41Å; V760-M764 PolarHBondContact O-N 3.09Å; L761-M764 PolarHBondContact O-N 3.1Å; T762-M764 PolarHBondContact O-N 3.27Å; M764-C766 VanDerWaalsContact C-N 3.28Å; M764-C766 PolarHBondContact O-N 3.12Å; M764-F767 PolarHBondContact O-N 3Å; M764-I1005 HydrophobicContact CB-CG2 4.23Å; M764-I1005 HydrophobicContact CE-CG2 4.46Å; M764-I1005 VanDerWaalsContact CE-O 3.24Å; M764-I1005 WeakPolarHBondContact CE-O 3.34Å; M764-I1005 HydrophobicContact CG-CG2 4.05Å; M764-A1006 VanDerWaalsContact O-CA 3.26Å; M764-A1006 WeakPolarHBondContact O-CA 3.4Å; M764-A1006 VanDerWaalsContact O-CB 3.29Å; M764-A1006 WeakPolarHBondContact O-CB 3.3Å; M764-H1008 HydrophobicContact CE-CB 3.72Å; M764-I1012 HydrophobicContact CE-CD1 3.91Å; M764-I1012 HydrophobicContact SD-CD1 4.13Å; M764-L1020 HydrophobicContact CE-CD1 4.13Å; M764-L1020 HydrophobicContact SD-CD1 4.01Å; M764-L1020 HydrophobicContact SD-CD2 4.23Å; M764-L1020 HydrophobicContact SD-CG 4.44Å; M764-I1024 HydrophobicContact CE-CG1 4.25Å; M764-I1024 HydrophobicContact SD-CD1 3.88Å; M764-I1024 HydrophobicContact SD-CG1 4.02Å |
| 765 | S | 95.6 | Very high | 93 | Very high | 20.3333 Ų | 20.3333 | 27.7 Ų | 27.7 | 14% | 0.142 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.6 | -30.4 | 177.7 | 78.2 | 0 | 0 | 0 | 0 | 113.7 | R616 L761 T762 S763 F767 R768 | R616-S765 VanDerWaalsContact CD-OG 3.28Å; R616-S765 WeakPolarHBondContact CD-OG 3.4Å; L761-S765 PolarHBondContact O-N 3.22Å; T762-S765 PolarHBondContact O-N 3.25Å; T762-S765 VanDerWaalsContact O-N 3.16Å; T762-S765 PolarHBondContact O-OG 3.05Å; S763-S765 VanDerWaalsContact C-N 3.29Å; S763-S765 PolarHBondContact O-N 3.19Å; S765-F767 VanDerWaalsContact C-N 3.29Å; S765-F767 PolarHBondContact O-N 3.15Å; S765-R768 PolarHBondContact O-N 3.07Å |
| 766 | C | 97.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.2 | -23.6 | 179.3 | -68.4 | 0 | 0 | 0 | 0 | 113.6 | F748 T762 S763 M764 R768 L769 L770 | F748-C766 HydrophobicContact CD1-CB 3.79Å; F748-C766 HydrophobicContact CD2-CB 3.89Å; F748-C766 HydrophobicContact CE1-CB 3.53Å; F748-C766 VanDerWaalsContact CE1-CB 3.48Å; F748-C766 HydrophobicContact CE2-CB 3.63Å; F748-C766 HydrophobicContact CG-CB 4Å; F748-C766 HydrophobicContact CZ-CB 3.46Å; F748-C766 VanDerWaalsContact CZ-CB 3.46Å; T762-C766 PolarHBondContact O-N 3.11Å; T762-C766 VanDerWaalsContact O-N 3.1Å; T762-C766 PolarHBondContact O-SG 3.14Å; S763-C766 WeakPolarHBondContact O-CB 3.33Å; S763-C766 PolarHBondContact O-N 3.22Å; S763-C766 VanDerWaalsContact O-N 3.1Å; M764-C766 VanDerWaalsContact C-N 3.28Å; M764-C766 PolarHBondContact O-N 3.12Å; C766-R768 VanDerWaalsContact C-N 3.26Å; C766-R768 PolarHBondContact O-N 3.08Å; C766-L769 WeakPolarHBondContact O-CB 3.4Å; C766-L769 PolarHBondContact O-N 3.38Å; C766-L770 PolarHBondContact O-N 3.09Å |
| 767 | F | 96.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.2 | -33.7 | 173.4 | -78.5 | -81.3 | 0 | 0 | 0 | 112.2 | F748 F749 L752 S763 M764 S765 L769 L770 C771 Y1002 I1005 A1006 | F748-F767 HydrophobicContact CB-CD2 4.19Å; F748-F767 HydrophobicContact CB-CE1 4.39Å; F748-F767 HydrophobicContact CB-CE2 3.58Å; F748-F767 HydrophobicContact CB-CZ 3.7Å; F749-F767 HydrophobicContact CD1-CZ 4.07Å; F749-F767 HydrophobicContact CD2-CE1 4.42Å; F749-F767 HydrophobicContact CD2-CZ 4.2Å; F749-F767 HydrophobicContact CE1-CE1 4.33Å; F749-F767 AromaticContact CE1-CZ 3.97Å; F749-F767 HydrophobicContact CE1-CZ 4.02Å; F749-F767 AromaticContact CE2-CE1 3.96Å; F749-F767 HydrophobicContact CE2-CE1 3.98Å; F749-F767 HydrophobicContact CE2-CZ 4.13Å; F749-F767 HydrophobicContact CG-CZ 4.15Å; F749-F767 AromaticContact CZ-CE1 3.93Å; F749-F767 HydrophobicContact CZ-CE1 3.93Å; F749-F767 HydrophobicContact CZ-CZ 4.05Å; L752-F767 HydrophobicContact CD1-CE2 4.2Å; L752-F767 HydrophobicContact CD1-CZ 4.45Å; L752-F767 HydrophobicContact CD2-CE2 4.37Å; L752-F767 HydrophobicContact CG-CE2 4.47Å; S763-F767 WeakPolarHBondContact O-CD2 3.39Å; S763-F767 PolarHBondContact O-N 3.35Å; M764-F767 PolarHBondContact O-N 3Å; S765-F767 VanDerWaalsContact C-N 3.29Å; S765-F767 PolarHBondContact O-N 3.15Å; F767-L769 VanDerWaalsContact C-N 3.26Å; F767-L769 PolarHBondContact O-N 3Å; F767-L770 HydrophobicContact CD1-CD1 4.46Å; F767-L770 PolarHBondContact O-N 3.16Å; F767-C771 PolarHBondContact O-N 3.05Å; F767-C771 PolarHBondContact O-SG 3.08Å; F767-Y1002 WeakPolarHBondContact CB-O 3.3Å; F767-Y1002 AromaticContact CD1-CD1 3.99Å; F767-Y1002 HydrophobicContact CD1-CD1 4Å; F767-Y1002 AromaticContact CD1-CD2 3.61Å; F767-Y1002 HydrophobicContact CD1-CD2 3.61Å; F767-Y1002 HydrophobicContact CD1-CE1 4.38Å; F767-Y1002 AromaticContact CD1-CE2 3.97Å; F767-Y1002 HydrophobicContact CD1-CE2 4Å; F767-Y1002 AromaticContact CD1-CG 3.61Å; F767-Y1002 HydrophobicContact CD1-CG 3.61Å; F767-Y1002 HydrophobicContact CE1-CD1 4.17Å; F767-Y1002 HydrophobicContact CE1-CD2 4.08Å; F767-Y1002 HydrophobicContact CE1-CE1 4.12Å; F767-Y1002 AromaticContact CE1-CE2 3.99Å; F767-Y1002 HydrophobicContact CE1-CE2 3.99Å; F767-Y1002 HydrophobicContact CE1-CG 4.18Å; F767-Y1002 HydrophobicContact CG-CG 4.49Å; F767-I1005 HydrophobicContact CD2-CG2 3.78Å; F767-I1005 HydrophobicContact CE2-CG2 4.24Å; F767-I1005 HydrophobicContact CG-CG2 4.3Å; F767-A1006 HydrophobicContact CB-CB 4.25Å |
| 768 | R | 95.6 | Very high | 91.7 | Very high | 73.3333 Ų | 73.3333 | 22.5 Ų | 22.5 | 28% | 0.277 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -63.5 | -31.5 | 172.4 | 177.6 | 91.6 | 69.1 | 165.1 | 3.6 | 112.3 | S765 C766 C771 Q772 A1006 D1007 | S765-R768 PolarHBondContact O-N 3.07Å; C766-R768 VanDerWaalsContact C-N 3.26Å; C766-R768 PolarHBondContact O-N 3.08Å; R768-C771 WeakPolarHBondContact O-CB 3.31Å; R768-C771 PolarHBondContact O-N 3.18Å; R768-Q772 HydrophobicContact CG-CG 4.38Å; R768-Q772 WeakPolarHBondContact O-CB 3.46Å; R768-Q772 VanDerWaalsContact O-CG 3.28Å; R768-Q772 WeakPolarHBondContact O-CG 3.48Å; R768-Q772 PolarHBondContact O-N 2.92Å; R768-A1006 HydrophobicContact CB-CB 3.56Å; R768-D1007 IonicContact CZ-OD1 2.84Å; R768-D1007 IonicContact NE-OD1 3.3Å; R768-D1007 IonicContact NH2-OD1 3.16Å; R768-D1007 PolarHBondContact NH2-OD1 3.17Å; R768-D1007 IonicContact NH2-OD2 3.48Å; R768-D1007 PolarHBondContact NH2-OD2 3.19Å |
| 769 | L | 96 | Very high | 91.1 | Very high | 14.6667 Ų | 14.6667 | 21.7 Ų | 21.7 | 8% | 0.077 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -73.6 | -35.5 | 178.4 | -54.5 | -176.6 | 0 | 0 | 0 | 111.4 | R616 L619 V620 I623 C766 F767 C771 Q772 E773 | R616-L769 HydrophobicContact CB-CD1 4.47Å; R616-L769 HydrophobicContact CG-CD1 3.62Å; R616-L769 WeakPolarHBondContact O-CD1 3.46Å; L619-L769 HydrophobicContact CB-CB 4.24Å; L619-L769 HydrophobicContact CB-CD1 3.68Å; L619-L769 HydrophobicContact CD1-CB 4.34Å; L619-L769 HydrophobicContact CD1-CD1 4.39Å; V620-L769 HydrophobicContact CG2-CD1 3.94Å; V620-L769 HydrophobicContact CG2-CD2 3.93Å; I623-L769 HydrophobicContact CD1-CB 3.77Å; I623-L769 HydrophobicContact CD1-CD2 3.86Å; I623-L769 HydrophobicContact CD1-CG 4.35Å; I623-L769 WeakPolarHBondContact CD1-O 3.45Å; C766-L769 WeakPolarHBondContact O-CB 3.4Å; C766-L769 PolarHBondContact O-N 3.38Å; F767-L769 VanDerWaalsContact C-N 3.26Å; F767-L769 PolarHBondContact O-N 3Å; L769-C771 VanDerWaalsContact C-N 3.34Å; L769-Q772 PolarHBondContact O-N 3.15Å; L769-E773 PolarHBondContact O-N 3.08Å |
| 770 | L | 93.7 | Very high | 90.1 | Very high | 16.3333 Ų | 16.3333 | 22.4 Ų | 22.4 | 9% | 0.086 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.2 | -42.2 | 169.6 | -63.3 | -178.1 | 0 | 0 | 0 | 111.6 | L741 L744 E745 F748 C766 F767 A774 | L741-L770 HydrophobicContact CD2-CD2 3.78Å; L744-L770 HydrophobicContact CB-CD2 4.4Å; E745-L770 HydrophobicContact CB-CD1 4.34Å; F748-L770 HydrophobicContact CD2-CD1 3.77Å; F748-L770 HydrophobicContact CD2-CG 4.31Å; F748-L770 HydrophobicContact CE2-CD1 3.89Å; F748-L770 HydrophobicContact CE2-CD2 4.22Å; F748-L770 HydrophobicContact CE2-CG 3.98Å; C766-L770 PolarHBondContact O-N 3.09Å; F767-L770 HydrophobicContact CD1-CD1 4.46Å; F767-L770 PolarHBondContact O-N 3.16Å; L770-A774 WeakPolarHBondContact O-CB 3.47Å; L770-A774 PolarHBondContact O-N 2.78Å; L770-A774 VanDerWaalsContact O-N 3.1Å |
| 771 | C | 93.7 | Very high | 88.9 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.007 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.9 | -48.7 | 173 | -70.3 | 0 | 0 | 0 | 0 | 111.7 | F767 R768 L769 E773 A774 E775 Y999 Y1002 | F767-C771 PolarHBondContact O-N 3.05Å; F767-C771 PolarHBondContact O-SG 3.08Å; R768-C771 WeakPolarHBondContact O-CB 3.31Å; R768-C771 PolarHBondContact O-N 3.18Å; L769-C771 VanDerWaalsContact C-N 3.34Å; C771-E773 PolarHBondContact O-N 2.97Å; C771-A774 CarbonylContact O-C 3.57Å; C771-A774 WeakPolarHBondContact O-CA 3.48Å; C771-A774 WeakPolarHBondContact O-CB 3.48Å; C771-A774 PolarHBondContact O-N 3.02Å; C771-A774 VanDerWaalsContact O-N 3.1Å; C771-E775 VanDerWaalsContact C-OE1 3.3Å; C771-E775 VanDerWaalsContact O-CG 3.28Å; C771-E775 WeakPolarHBondContact O-CG 3.38Å; C771-E775 PolarHBondContact O-N 3.03Å; C771-Y999 HydrophobicContact CB-CD2 3.89Å; C771-Y999 HydrophobicContact CB-CE2 3.58Å; C771-Y1002 VanDerWaalsContact SG-CB 3.57Å |
| 772 | Q | 92.6 | Very high | 87.8 | Confident | 65 Ų | 65 | 24.4 Ų | 24.4 | 30% | 0.304 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -66.3 | -37.1 | -180 | -76.1 | 174.9 | -20.2 | 0 | 0 | 113.6 | I623 R768 L769 A774 E775 L776 | I623-Q772 HydrophobicContact CD1-CB 4.07Å; R768-Q772 HydrophobicContact CG-CG 4.38Å; R768-Q772 WeakPolarHBondContact O-CB 3.46Å; R768-Q772 VanDerWaalsContact O-CG 3.28Å; R768-Q772 WeakPolarHBondContact O-CG 3.48Å; R768-Q772 PolarHBondContact O-N 2.92Å; L769-Q772 PolarHBondContact O-N 3.15Å; Q772-A774 VanDerWaalsContact C-N 3.33Å; Q772-E775 PolarHBondContact N-OE1 2.94Å; Q772-L776 WeakPolarHBondContact O-CD1 3.43Å; Q772-L776 VanDerWaalsContact O-CG 3.3Å; Q772-L776 WeakPolarHBondContact O-CG 3.38Å; Q772-L776 PolarHBondContact O-N 3.13Å |
| 773 | E | 89.1 | Confident | 86.4 | Confident | 3.33333 Ų | 3.33333 | 28 Ų | 28 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.6 | -41.4 | 172.2 | -166.9 | 172.3 | 140.2 | 0 | 0 | 110.1 | R622 I623 L626 N737 L769 C771 L776 W777 | R622-E773 IonicContact CZ-OE1 3.05Å; R622-E773 IonicContact CZ-OE2 2.97Å; R622-E773 IonicContact NE-OE2 3.01Å; R622-E773 PolarHBondContact NE-OE2 3.23Å; R622-E773 VanDerWaalsContact NH2-CD 3.28Å; R622-E773 IonicContact NH2-OE1 2.7Å; R622-E773 PolarHBondContact NH2-OE1 3.32Å; R622-E773 IonicContact NH2-OE2 3.23Å; R622-E773 PolarHBondContact NH2-OE2 3.14Å; I623-E773 HydrophobicContact CG1-CB 4.39Å; L626-E773 HydrophobicContact CD1-CG 3.79Å; L626-E773 HydrophobicContact CD2-CG 4Å; N737-E773 PolarHBondContact ND2-OE1 3.19Å; L769-E773 PolarHBondContact O-N 3.08Å; C771-E773 PolarHBondContact O-N 2.97Å; E773-L776 PolarHBondContact O-N 3.08Å; E773-W777 PolarHBondContact O-N 3.39Å |
| 774 | A | 87.4 | Confident | 84.8 | Confident | 10 Ų | 10 | 28.7 Ų | 28.7 | 8% | 0.083 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68 | -40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L770 C771 Q772 L776 W777 S778 L992 L995 L996 | L770-A774 WeakPolarHBondContact O-CB 3.47Å; L770-A774 PolarHBondContact O-N 2.78Å; L770-A774 VanDerWaalsContact O-N 3.1Å; C771-A774 CarbonylContact O-C 3.57Å; C771-A774 WeakPolarHBondContact O-CA 3.48Å; C771-A774 WeakPolarHBondContact O-CB 3.48Å; C771-A774 PolarHBondContact O-N 3.02Å; C771-A774 VanDerWaalsContact O-N 3.1Å; Q772-A774 VanDerWaalsContact C-N 3.33Å; A774-L776 VanDerWaalsContact C-N 3.33Å; A774-L776 PolarHBondContact O-N 3.09Å; A774-W777 PolarHBondContact O-N 3.36Å; A774-S778 PolarHBondContact O-N 3.05Å; A774-L992 HydrophobicContact CB-CD1 3.86Å; A774-L995 HydrophobicContact CB-CD2 3.96Å; A774-L995 HydrophobicContact CB-CG 4.36Å; A774-L995 WeakPolarHBondContact O-CD2 3.27Å; A774-L996 HydrophobicContact CB-CB 4.29Å; A774-L996 HydrophobicContact CB-CD2 4.28Å |
| 775 | E | 88.2 | Confident | 83.2 | Confident | 46.6667 Ų | 46.6667 | 31.6 Ų | 31.6 | 22% | 0.218 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.4 | -47.2 | 173.5 | -74.3 | 160.6 | -143 | 0 | 0 | 111.1 | C771 Q772 W777 S778 N779 L992 Y999 | C771-E775 VanDerWaalsContact C-OE1 3.3Å; C771-E775 VanDerWaalsContact O-CG 3.28Å; C771-E775 WeakPolarHBondContact O-CG 3.38Å; C771-E775 PolarHBondContact O-N 3.03Å; Q772-E775 PolarHBondContact N-OE1 2.94Å; E775-W777 PolarHBondContact O-N 3.17Å; E775-S778 PolarHBondContact O-N 3.16Å; E775-N779 WeakPolarHBondContact O-CB 3.36Å; E775-N779 VanDerWaalsContact O-CG 3.22Å; E775-N779 PolarHBondContact O-N 3.15Å; E775-N779 PolarHBondContact O-ND2 2.88Å; E775-L992 HydrophobicContact CG-CD1 4.48Å; E775-L992 HydrophobicContact CG-CD2 4.13Å; E775-Y999 HydrophobicContact CG-CE2 3.91Å; E775-Y999 WeakPolarHBondContact OE1-CE2 3.43Å; E775-Y999 PolarHBondContact OE1-OH 3.06Å |
| 776 | L | 85.4 | Confident | 81.6 | Confident | 31 Ų | 31 | 36.2 Ų | 36.2 | 16% | 0.162 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.1 | -40.5 | -179.8 | -69.4 | 167 | 0 | 0 | 0 | 112.5 | I623 L626 Q627 Q772 E773 A774 A780 | I623-L776 HydrophobicContact CG2-CD1 4.01Å; L626-L776 HydrophobicContact CB-CD1 4.13Å; L626-L776 HydrophobicContact CD2-CB 3.7Å; L626-L776 HydrophobicContact CD2-CD1 3.97Å; L626-L776 HydrophobicContact CG-CB 4.08Å; L626-L776 HydrophobicContact CG-CD1 4.14Å; Q627-L776 HydrophobicContact CG-CD1 3.78Å; Q627-L776 HydrophobicContact CG-CD2 3.8Å; Q627-L776 HydrophobicContact CG-CG 4.44Å; Q772-L776 WeakPolarHBondContact O-CD1 3.43Å; Q772-L776 VanDerWaalsContact O-CG 3.3Å; Q772-L776 WeakPolarHBondContact O-CG 3.38Å; Q772-L776 PolarHBondContact O-N 3.13Å; E773-L776 PolarHBondContact O-N 3.08Å; A774-L776 VanDerWaalsContact C-N 3.33Å; A774-L776 PolarHBondContact O-N 3.09Å; L776-A780 VanDerWaalsContact O-CB 3.29Å; L776-A780 WeakPolarHBondContact O-CB 3.45Å; L776-A780 PolarHBondContact O-N 2.89Å |
| 777 | W | 79.3 | Confident | 79.6 | Confident | 42.6667 Ų | 42.6667 | 40.4 Ų | 40.4 | 16% | 0.162 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.2 | -43.4 | 174.9 | -74.6 | 118.2 | 0 | 0 | 0 | 112.5 | W586 L626 L727 P729 L730 E773 A774 E775 A780 A781 L995 | W586-W777 AromaticContact CH2-CE2 3.94Å; W586-W777 AromaticContact CH2-CH2 3.89Å; W586-W777 HydrophobicContact CH2-CH2 4.06Å; W586-W777 AromaticContact CH2-CZ2 3.32Å; W586-W777 HydrophobicContact CH2-CZ2 3.32Å; W586-W777 VanDerWaalsContact CH2-CZ2 3.43Å; W586-W777 AromaticContact CZ2-CH2 3.76Å; W586-W777 HydrophobicContact CZ2-CH2 3.76Å; W586-W777 AromaticContact CZ2-CZ2 3.51Å; W586-W777 HydrophobicContact CZ2-CZ2 3.51Å; W586-W777 VanDerWaalsContact CZ2-CZ2 3.48Å; W586-W777 AromaticContact CZ3-CZ2 3.83Å; W586-W777 HydrophobicContact CZ3-CZ2 3.94Å; L626-W777 HydrophobicContact CD1-CD2 4.44Å; L626-W777 HydrophobicContact CD1-CE3 4.26Å; L626-W777 HydrophobicContact CD1-CH2 3.91Å; L626-W777 HydrophobicContact CD1-CZ2 4.08Å; L626-W777 HydrophobicContact CD1-CZ3 3.99Å; L626-W777 HydrophobicContact CD2-CD2 4.27Å; L626-W777 HydrophobicContact CD2-CZ2 4.27Å; L727-W777 HydrophobicContact CD1-CE3 4.07Å; L727-W777 HydrophobicContact CD1-CZ3 3.86Å; L727-W777 HydrophobicContact CD2-CE3 4.48Å; L727-W777 HydrophobicContact CD2-CZ3 4.33Å; P729-W777 HydrophobicContact CG-CH2 4.31Å; L730-W777 HydrophobicContact CB-CH2 4.23Å; L730-W777 HydrophobicContact CB-CZ3 3.97Å; L730-W777 HydrophobicContact CD1-CZ3 4.46Å; L730-W777 HydrophobicContact CD2-CD2 4.42Å; L730-W777 HydrophobicContact CD2-CE3 3.59Å; L730-W777 HydrophobicContact CD2-CH2 4.47Å; L730-W777 HydrophobicContact CD2-CZ3 3.63Å; L730-W777 HydrophobicContact CG-CE3 4.19Å; L730-W777 HydrophobicContact CG-CZ3 3.85Å; L730-W777 VanDerWaalsContact O-CH2 3.26Å; L730-W777 WeakPolarHBondContact O-CH2 3.37Å; L730-W777 WeakPolarHBondContact O-CZ3 3.43Å; E773-W777 PolarHBondContact O-N 3.39Å; A774-W777 PolarHBondContact O-N 3.36Å; E775-W777 PolarHBondContact O-N 3.17Å; W777-A780 PolarHBondContact O-N 3.38Å; W777-A781 WeakPolarHBondContact O-CB 3.35Å; W777-A781 PolarHBondContact O-N 3.24Å; W777-L995 HydrophobicContact CB-CD2 3.61Å; W777-L995 HydrophobicContact CG-CD2 4.45Å |
| 778 | S | 78.7 | Confident | 77.3 | Confident | 9.33333 Ų | 9.33333 | 46.9 Ų | 46.9 | 7% | 0.065 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.9 | -42.7 | 178.9 | -172 | 0 | 0 | 0 | 0 | 111.8 | A774 E775 A781 T782 F990 L992 | A774-S778 PolarHBondContact O-N 3.05Å; E775-S778 PolarHBondContact O-N 3.16Å; S778-A781 PolarHBondContact O-N 2.9Å; S778-T782 WeakPolarHBondContact O-CB 3.46Å; S778-T782 PolarHBondContact O-N 3.19Å; S778-T782 PolarHBondContact O-OG1 3.13Å; S778-F990 WeakPolarHBondContact CA-O 3.46Å; S778-F990 WeakPolarHBondContact CB-O 3.36Å; S778-F990 PolarHBondContact OG-O 3.08Å; S778-L992 PolarHBondContact OG-N 2.95Å; S778-L992 VanDerWaalsContact OG-N 3.11Å |
| 779 | N | 78 | Confident | 74.6 | Confident | 84 Ų | 84 | 48.6 Ų | 48.6 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64 | -46.1 | 175.8 | -68.5 | -18 | 0 | 0 | 0 | 111.8 | E775 A781 T782 L783 | E775-N779 WeakPolarHBondContact O-CB 3.36Å; E775-N779 VanDerWaalsContact O-CG 3.22Å; E775-N779 PolarHBondContact O-N 3.15Å; E775-N779 PolarHBondContact O-ND2 2.88Å; N779-A781 PolarHBondContact O-N 2.82Å; N779-T782 PolarHBondContact O-N 3.15Å; N779-L783 WeakPolarHBondContact O-CD1 3.39Å; N779-L783 WeakPolarHBondContact O-CG 3.33Å; N779-L783 PolarHBondContact O-N 3.01Å |
| 780 | A | 71.2 | Confident | 71.9 | Confident | 13.6667 Ų | 13.6667 | 52.7 Ų | 52.7 | 11% | 0.113 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L730 L776 W777 L783 A784 | L730-A780 HydrophobicContact CD1-CB 3.71Å; L776-A780 VanDerWaalsContact O-CB 3.29Å; L776-A780 WeakPolarHBondContact O-CB 3.45Å; L776-A780 PolarHBondContact O-N 2.89Å; W777-A780 PolarHBondContact O-N 3.38Å; A780-L783 PolarHBondContact O-N 2.94Å; A780-A784 PolarHBondContact O-N 3.01Å; A780-A784 VanDerWaalsContact O-N 3.1Å |
| 781 | A | 69 | Low | 69.1 | Low | 8.66667 Ų | 8.66667 | 60.1 Ų | 60.1 | 7% | 0.072 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.9 | -37.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | W777 S778 N779 L783 A784 T785 F990 | W777-A781 WeakPolarHBondContact O-CB 3.35Å; W777-A781 PolarHBondContact O-N 3.24Å; S778-A781 PolarHBondContact O-N 2.9Å; N779-A781 PolarHBondContact O-N 2.82Å; A781-L783 VanDerWaalsContact C-N 3.31Å; A781-L783 PolarHBondContact O-N 3.41Å; A781-A784 WeakPolarHBondContact O-CB 3.48Å; A781-A784 PolarHBondContact O-N 3.14Å; A781-T785 PolarHBondContact O-N 3.1Å; A781-T785 VanDerWaalsContact O-N 3.11Å; A781-T785 PolarHBondContact O-OG1 3.26Å; A781-F990 HydrophobicContact CB-CB 3.58Å; A781-F990 HydrophobicContact CB-CD2 3.99Å; A781-F990 HydrophobicContact CB-CG 4.05Å |
| 782 | T | 69.5 | Low | 66.2 | Low | 67 Ų | 67 | 67.4 Ų | 67.4 | 41% | 0.411 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 175.4 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | S778 N779 A784 T785 I786 | S778-T782 WeakPolarHBondContact O-CB 3.46Å; S778-T782 PolarHBondContact O-N 3.19Å; S778-T782 PolarHBondContact O-OG1 3.13Å; N779-T782 PolarHBondContact O-N 3.15Å; T782-A784 PolarHBondContact O-N 3.23Å; T782-T785 WeakPolarHBondContact O-CB 3.45Å; T782-T785 PolarHBondContact O-N 3.09Å; T782-T785 VanDerWaalsContact O-N 3.17Å; T782-I786 HydrophobicContact CG2-CD1 4.34Å; T782-I786 WeakPolarHBondContact O-CG1 3.33Å; T782-I786 PolarHBondContact O-N 3.03Å |
| 783 | L | 66.5 | Low | 63.3 | Low | 80.3333 Ų | 80.3333 | 72.8 Ų | 72.8 | 42% | 0.421 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 175.2 | -72.3 | 163 | 0 | 0 | 0 | 112.6 | N634 N779 A780 A781 T785 I786 T787 | N634-L783 WeakPolarHBondContact OD1-CD1 3.47Å; N779-L783 WeakPolarHBondContact O-CD1 3.39Å; N779-L783 WeakPolarHBondContact O-CG 3.33Å; N779-L783 PolarHBondContact O-N 3.01Å; A780-L783 PolarHBondContact O-N 2.94Å; A781-L783 VanDerWaalsContact C-N 3.31Å; A781-L783 PolarHBondContact O-N 3.41Å; L783-T785 PolarHBondContact O-N 3.32Å; L783-I786 PolarHBondContact O-N 2.91Å; L783-T787 PolarHBondContact O-N 3.34Å; L783-T787 VanDerWaalsContact O-N 3.12Å; L783-T787 PolarHBondContact O-OG1 3.02Å |
| 784 | A | 62.8 | Low | 60.4 | Low | 16.3333 Ų | 16.3333 | 82.8 Ų | 82.8 | 14% | 0.135 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -62.8 | -36.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L727 A780 A781 T782 I786 T787 Y788 | L727-A784 HydrophobicContact CD2-CB 3.94Å; L727-A784 HydrophobicContact CG-CB 4.37Å; A780-A784 PolarHBondContact O-N 3.01Å; A780-A784 VanDerWaalsContact O-N 3.1Å; A781-A784 WeakPolarHBondContact O-CB 3.48Å; A781-A784 PolarHBondContact O-N 3.14Å; T782-A784 PolarHBondContact O-N 3.23Å; A784-I786 PolarHBondContact O-N 3.43Å; A784-T787 WeakPolarHBondContact CA-OG1 3.28Å; A784-T787 PolarHBondContact O-N 3.29Å; A784-T787 PolarHBondContact O-OG1 2.94Å; A784-Y788 WeakPolarHBondContact O-CD2 3.27Å; A784-Y788 PolarHBondContact O-N 3.06Å |
| 785 | T | 61.2 | Low | 57.6 | Low | 60.3333 Ų | 60.3333 | 87.6 Ų | 87.6 | 37% | 0.37 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66 | -43.2 | 175.6 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | A781 T782 L783 T787 Y788 | A781-T785 PolarHBondContact O-N 3.1Å; A781-T785 VanDerWaalsContact O-N 3.11Å; A781-T785 PolarHBondContact O-OG1 3.26Å; T782-T785 WeakPolarHBondContact O-CB 3.45Å; T782-T785 PolarHBondContact O-N 3.09Å; T782-T785 VanDerWaalsContact O-N 3.17Å; L783-T785 PolarHBondContact O-N 3.32Å; T785-T787 VanDerWaalsContact C-N 3.3Å; T785-T787 PolarHBondContact O-N 3.33Å; T785-Y788 PolarHBondContact O-N 3.08Å |
| 786 | I | 61.4 | Low | 54.7 | Low | 116 Ų | 116 | 94 Ų | 94 | 60% | 0.595 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.1 | -37.5 | 178.4 | -65.8 | 164.3 | 0 | 0 | 0 | 111.3 | T782 L783 A784 Y788 | T782-I786 HydrophobicContact CG2-CD1 4.34Å; T782-I786 WeakPolarHBondContact O-CG1 3.33Å; T782-I786 PolarHBondContact O-N 3.03Å; L783-I786 PolarHBondContact O-N 2.91Å; A784-I786 PolarHBondContact O-N 3.43Å; I786-Y788 VanDerWaalsContact C-N 3.27Å; I786-Y788 PolarHBondContact O-N 3.06Å |
| 787 | T | 55.9 | Low | 52 | Low | 88.6667 Ų | 88.6667 | 98.4 Ų | 98.4 | 54% | 0.544 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -1.8 | -177.8 | 21.9 | 0 | 0 | 0 | 0 | 114.8 | F726 L783 A784 T785 | F726-T787 HydrophobicContact CE1-CG2 3.88Å; F726-T787 HydrophobicContact CZ-CG2 3.97Å; L783-T787 PolarHBondContact O-N 3.34Å; L783-T787 VanDerWaalsContact O-N 3.12Å; L783-T787 PolarHBondContact O-OG1 3.02Å; A784-T787 WeakPolarHBondContact CA-OG1 3.28Å; A784-T787 PolarHBondContact O-N 3.29Å; A784-T787 PolarHBondContact O-OG1 2.94Å; T785-T787 VanDerWaalsContact C-N 3.3Å; T785-T787 PolarHBondContact O-N 3.33Å |
| 788 | Y | 47.4 | Very low | 49.5 | Very low | 136.667 Ų | 136.667 | 100.5 Ų | 100.5 | 54% | 0.536 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 4.1 | -178 | -120 | -92 | 0 | 0 | 0 | 114.9 | F726 L727 A784 T785 I786 P790 | F726-Y788 HydrophobicContact CD1-CD2 4.14Å; F726-Y788 HydrophobicContact CD1-CE2 4Å; F726-Y788 AromaticContact CE1-CD1 3.91Å; F726-Y788 HydrophobicContact CE1-CD1 3.91Å; F726-Y788 AromaticContact CE1-CD2 3.79Å; F726-Y788 HydrophobicContact CE1-CD2 3.79Å; F726-Y788 AromaticContact CE1-CE1 3.84Å; F726-Y788 HydrophobicContact CE1-CE1 3.84Å; F726-Y788 AromaticContact CE1-CE2 3.71Å; F726-Y788 HydrophobicContact CE1-CE2 3.71Å; F726-Y788 AromaticContact CE1-CG 3.92Å; F726-Y788 HydrophobicContact CE1-CG 4.15Å; F726-Y788 AromaticContact CE1-CZ 3.78Å; F726-Y788 HydrophobicContact CZ-CE2 4.01Å; L727-Y788 HydrophobicContact CD1-CE2 4.44Å; A784-Y788 WeakPolarHBondContact O-CD2 3.27Å; A784-Y788 PolarHBondContact O-N 3.06Å; T785-Y788 PolarHBondContact O-N 3.08Å; I786-Y788 VanDerWaalsContact C-N 3.27Å; I786-Y788 PolarHBondContact O-N 3.06Å; Y788-P790 VanDerWaalsContact O-CD 3.26Å; Y788-P790 WeakPolarHBondContact O-CD 3.37Å |
| 789 | V | 39.5 | Very low | 46.9 | Very low | 109.667 Ų | 109.667 | 107.4 Ų | 107.4 | 67% | 0.665 | 58% | 0.583 | S | S | * | * | trans | -74.6 | 120.7 | 170 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 790 | P | 39.7 | Very low | 44.5 | Very low | 100.667 Ų | 100.667 | 109.4 Ų | 109.4 | 65% | 0.654 | 60% | 0.603 | S | S | * | * | trans | -72.8 | 144.3 | 177 | 0 | 10 | 0 | 0 | 0 | 111.3 | Y788 N792 | Y788-P790 VanDerWaalsContact O-CD 3.26Å; Y788-P790 WeakPolarHBondContact O-CD 3.37Å; P790-N792 PolarHBondContact O-N 3.09Å | ||
| 791 | D | 34.6 | Very low | 42.5 | Very low | 172 Ų | 172 | 117.5 Ų | 117.5 | 92% | 0.92 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -69.1 | 60.2 | 177.5 | -65.6 | -61.5 | 0 | 0 | 0 | 113.2 | ||
| 792 | N | 32 | Very low | 40.6 | Very low | 153 Ų | 153 | 122.8 Ų | 122.8 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | trans | -145.4 | 34.7 | -174.8 | -119.1 | -2.3 | 0 | 0 | 0 | 114.7 | P790 | P790-N792 PolarHBondContact O-N 3.09Š| ||
| 793 | E | 31.4 | Very low | 38.6 | Very low | 178.667 Ų | 178.667 | 130 Ų | 130 | 84% | 0.835 | 70% | 0.695 | S | S | * | * | trans | -144.3 | 96.6 | 161.5 | -128.5 | 170.7 | -138.7 | 0 | 0 | 111 | V795 | E793-V795 VanDerWaalsContact C-N 3.28Å; E793-V795 HydrophobicContact CB-CG2 3.98Å; E793-V795 HydrophobicContact CG-CG2 3.74Å; E793-V795 PolarHBondContact O-N 3Å | ||
| 794 | F | 28.2 | Very low | 36.8 | Very low | 213.333 Ų | 213.333 | 133.3 Ų | 133.3 | 94% | 0.936 | 71% | 0.712 | S | S | * | * | trans | -97.7 | 56.8 | -176.6 | -142.6 | -80.8 | 0 | 0 | 0 | 111.5 | Q796 | F794-Q796 PolarHBondContact O-N 3.22Š| ||
| 795 | V | 30.4 | Very low | 35.3 | Very low | 111.667 Ų | 111.667 | 139 Ų | 139 | 68% | 0.677 | 75% | 0.745 | S | S | * | * | trans | -99.3 | 112.6 | 177.5 | -179.7 | 0 | 0 | 0 | 0 | 109.8 | E793 C797 | E793-V795 VanDerWaalsContact C-N 3.28Å; E793-V795 HydrophobicContact CB-CG2 3.98Å; E793-V795 HydrophobicContact CG-CG2 3.74Å; E793-V795 PolarHBondContact O-N 3Å; V795-C797 VanDerWaalsContact C-N 3.28Å; V795-C797 PolarHBondContact O-N 2.95Å | ||
| 796 | Q | 26.7 | Very low | 33.8 | Very low | 180.333 Ų | 180.333 | 142.8 Ų | 142.8 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | -43.3 | 76.7 | 175.9 | -144 | -179.3 | -32.8 | 0 | 0 | 113.3 | F794 S798 | F794-Q796 PolarHBondContact O-N 3.22Å; Q796-S798 PolarHBondContact O-N 3.18Å | ||
| 797 | C | 28.5 | Very low | 32.4 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -100 | 101.2 | 154.2 | -116.6 | 0 | 0 | 0 | 0 | 110 | V795 | V795-C797 VanDerWaalsContact C-N 3.28Å; V795-C797 PolarHBondContact O-N 2.95Å | ||
| 798 | S | 26.5 | Very low | 31.1 | Very low | 86 Ų | 86 | 144.6 Ų | 144.6 | 60% | 0.601 | 78% | 0.776 | S | S | * | * | trans | -69.7 | 162 | 159.4 | 50.2 | 0 | 0 | 0 | 0 | 110.5 | Q796 | Q796-S798 PolarHBondContact O-N 3.18Š| ||
| 799 | D | 25.3 | Very low | 30.3 | Very low | 153.667 Ų | 153.667 | 145.3 Ų | 145.3 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | 66.5 | 73.1 | 160.5 | -46.9 | -34.9 | 0 | 0 | 0 | 117.4 | ||||
| 800 | C | 27.6 | Very low | 30 | Very low | 127.333 Ų | 127.333 | 145.2 Ų | 145.2 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -150.3 | 101.2 | 147.4 | -136.9 | 0 | 0 | 0 | 0 | 110.4 | C802 | C800-C802 PolarHBondContact O-N 3.38Š| ||
| 801 | E | 28 | Very low | 29.5 | Very low | 183.5 Ų | 183.5 | 145 Ų | 145 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | -74.2 | 130.3 | -178.1 | -65.6 | -174.2 | 114.7 | 0 | 0 | 112.6 | Y803 | E801-Y803 PolarHBondContact O-N 3.29Š| ||
| 802 | C | 29.2 | Very low | 29.5 | Very low | 119.75 Ų | 119.75 | 143 Ų | 143 | 81% | 0.809 | 80% | 0.796 | S | S | * | * | trans | -118.7 | 94 | 162.2 | -84 | 0 | 0 | 0 | 0 | 111.5 | C800 L804 | C800-C802 PolarHBondContact O-N 3.38Å; C802-L804 VanDerWaalsContact C-N 3.35Å; C802-L804 PolarHBondContact O-N 3.37Å | ||
| 803 | Y | 28.6 | Very low | 29.4 | Very low | 217.5 Ų | 217.5 | 141 Ų | 141 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -43.4 | 102.9 | 172.2 | -81.5 | -80.4 | 0 | 0 | 0 | 115.1 | E801 V805 | E801-Y803 PolarHBondContact O-N 3.29Å; Y803-V805 HydrophobicContact CD1-CG2 4.45Å; Y803-V805 PolarHBondContact O-N 3.02Å | ||
| 804 | L | 27.6 | Very low | 29.3 | Very low | 150.75 Ų | 150.75 | 137.3 Ų | 137.3 | 79% | 0.789 | 79% | 0.788 | S | S | * | * | trans | -68.4 | 121.2 | 152.5 | -88.1 | 147.7 | 0 | 0 | 0 | 112.2 | C802 N806 | C802-L804 VanDerWaalsContact C-N 3.35Å; C802-L804 PolarHBondContact O-N 3.37Å; L804-N806 HydrophobicContact CD2-CB 4.11Å; L804-N806 PolarHBondContact O-N 3.17Å | ||
| 805 | V | 30.9 | Very low | 29.5 | Very low | 135.25 Ų | 135.25 | 132.6 Ų | 132.6 | 82% | 0.82 | 78% | 0.777 | S | S | * | * | trans | -109.2 | 106.6 | 160.4 | -179.5 | 0 | 0 | 0 | 0 | 108.6 | Y803 | Y803-V805 HydrophobicContact CD1-CG2 4.45Å; Y803-V805 PolarHBondContact O-N 3.02Å | ||
| 806 | N | 30.3 | Very low | 29.5 | Very low | 139.75 Ų | 139.75 | 135.3 Ų | 135.3 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | trans | -109.3 | 114.6 | 176.7 | -171.3 | 17.2 | 0 | 0 | 0 | 109.3 | L804 N808 | L804-N806 HydrophobicContact CD2-CB 4.11Å; L804-N806 PolarHBondContact O-N 3.17Å; N806-N808 PolarHBondContact O-N 2.97Å | ||
| 807 | P | 31.4 | Very low | 29.7 | Very low | 105.25 Ų | 105.25 | 132.4 Ų | 132.4 | 68% | 0.683 | 78% | 0.777 | S | S | * | * | trans | -88.5 | 104.2 | -172.3 | 32.3 | -32.6 | 0 | 0 | 0 | 112.3 | ||||
| 808 | N | 29.1 | Very low | 29.8 | Very low | 137.75 Ų | 137.75 | 130.9 Ų | 130.9 | 74% | 0.737 | 77% | 0.767 | S | S | * | * | trans | -167.7 | 128.6 | 151.7 | -99.7 | -48.3 | 0 | 0 | 0 | 112.7 | N806 K847 | N806-N808 PolarHBondContact O-N 2.97Å; N808-K847 PolarHBondContact ND2-NZ 2.94Å; N808-K847 VanDerWaalsContact ND2-NZ 3.11Å | ||
| 809 | L | 31.2 | Very low | 30 | Very low | 150.75 Ų | 150.75 | 132.5 Ų | 132.5 | 79% | 0.789 | 77% | 0.769 | S | S | * | * | trans | 88.6 | 119.3 | 155.4 | -96.2 | 79 | 0 | 0 | 0 | 119 | ||||
| 810 | S | 32 | Very low | 30.2 | Very low | 109.25 Ų | 109.25 | 136 Ų | 136 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | 65.4 | 106.3 | 136.3 | -37.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 811 | A | 30.6 | Very low | 30.4 | Very low | 96.5 Ų | 96.5 | 133.4 Ų | 133.4 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | trans | -66.3 | 151.2 | 147.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 812 | P | 34.8 | Very low | 30.4 | Very low | 128.25 Ų | 128.25 | 133.2 Ų | 133.2 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | trans | -98.8 | 153.9 | 148.2 | 35.2 | -26.6 | 0 | 0 | 0 | 112.5 | ||||
| 813 | S | 29.7 | Very low | 30.4 | Very low | 111.5 Ų | 111.5 | 133.3 Ų | 133.3 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | trans | -127.6 | 150 | 155.1 | 56.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 814 | S | 29.6 | Very low | 30.4 | Very low | 100.5 Ų | 100.5 | 127.8 Ų | 127.8 | 70% | 0.703 | 75% | 0.748 | S | S | * | * | 175.5 | 155 | 60.7 | 62.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 815 | T | 31.1 | Very low | 30.4 | Very low | 115.25 Ų | 115.25 | 126.6 Ų | 126.6 | 71% | 0.707 | 75% | 0.747 | S | S | * | * | trans | 80.6 | 121.3 | 153.7 | 48.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 816 | E | 30.3 | Very low | 30.2 | Very low | 167.5 Ų | 167.5 | 127.3 Ų | 127.3 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | 144 | 146.1 | 55.7 | -101.8 | 166.7 | -144.2 | 0 | 0 | 113.6 | |||||
| 817 | T | 31.6 | Very low | 30 | Very low | 120.5 Ų | 120.5 | 126.2 Ų | 126.2 | 74% | 0.739 | 74% | 0.744 | S | S | * | * | 168.2 | 144.5 | 78.6 | 41.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 818 | S | 30.4 | Very low | 29.9 | Very low | 91.75 Ų | 91.75 | 126.5 Ų | 126.5 | 64% | 0.642 | 74% | 0.744 | S | S | * | * | cis | 171.6 | -171.5 | 7.3 | 64.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 819 | D | 29.9 | Very low | 29.9 | Very low | 120.25 Ų | 120.25 | 126.9 Ų | 126.9 | 64% | 0.643 | 75% | 0.746 | S | S | * | * | 141.5 | 131.3 | 80.9 | -101.5 | 9.6 | 0 | 0 | 0 | 116.9 | |||||
| 820 | W | 30.4 | Very low | 29.8 | Very low | 226.5 Ų | 226.5 | 124.1 Ų | 124.1 | 86% | 0.858 | 74% | 0.74 | S | S | * | * | trans | 72.4 | 157.1 | 137.3 | -63.6 | 77.2 | 0 | 0 | 0 | 119.1 | ||||
| 821 | A | 30.8 | Very low | 29.7 | Very low | 73.75 Ų | 73.75 | 126.6 Ų | 126.6 | 61% | 0.61 | 74% | 0.739 | S | S | * | * | cis | -166.1 | 142.8 | -22.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 822 | E | 28.6 | Very low | 29.8 | Very low | 179.5 Ų | 179.5 | 129 Ų | 129 | 84% | 0.839 | 73% | 0.733 | S | S | * | * | 68.5 | 136.5 | 114.2 | -79.7 | -172.8 | 162 | 0 | 0 | 118.1 | |||||
| 823 | T | 30 | Very low | 29.5 | Very low | 121.75 Ų | 121.75 | 127.2 Ų | 127.2 | 75% | 0.747 | 72% | 0.723 | S | S | * | * | 167.7 | 133.6 | 83.8 | 9.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 824 | S | 27.6 | Very low | 29.5 | Very low | 101 Ų | 101 | 128.8 Ų | 128.8 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | 104.3 | 154.6 | 94.6 | 78.8 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 825 | V | 28.7 | Very low | 29.5 | Very low | 126.5 Ų | 126.5 | 131.2 Ų | 131.2 | 77% | 0.767 | 73% | 0.728 | S | S | * | * | 138.1 | 149.3 | 73.3 | 162.8 | 0 | 0 | 0 | 0 | 116 | |||||
| 826 | L | 25.7 | Very low | 29.6 | Very low | 150 Ų | 150 | 131.3 Ų | 131.3 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | 47 | 162.1 | 172 | -68 | 151.9 | 0 | 0 | 0 | 117 | ||||
| 827 | T | 27.3 | Very low | 29.5 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 72% | 0.718 | 73% | 0.727 | S | S | * | * | 134.4 | 144.9 | 123.6 | 32.2 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 828 | T | 28.2 | Very low | 29.5 | Very low | 111.75 Ų | 111.75 | 136.7 Ų | 136.7 | 69% | 0.686 | 73% | 0.732 | S | S | * | * | 92 | 131.5 | 123.2 | 35.8 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 829 | N | 28.9 | Very low | 29.5 | Very low | 145.75 Ų | 145.75 | 137.3 Ų | 137.3 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | trans | 74.5 | 127.6 | 136.9 | -64.5 | -2 | 0 | 0 | 0 | 121.7 | ||||
| 830 | S | 28.6 | Very low | 29.8 | Very low | 92.25 Ų | 92.25 | 136.7 Ų | 136.7 | 65% | 0.645 | 74% | 0.739 | S | S | * | * | 125.2 | 131.8 | 55.7 | 57.6 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 831 | H | 30.9 | Very low | 30 | Very low | 161.25 Ų | 161.25 | 130.9 Ų | 130.9 | 75% | 0.747 | 73% | 0.731 | S | S | * | * | trans | 70.2 | 147 | 150.6 | -68.8 | -75.2 | 0 | 0 | 0 | 120.4 | ||||
| 832 | H | 31.8 | Very low | 30.1 | Very low | 147.25 Ų | 147.25 | 133.1 Ų | 133.1 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | 150.1 | 131.7 | 69.6 | -115.4 | -71.7 | 0 | 0 | 0 | 115.1 | |||||
| 833 | S | 29.5 | Very low | 30.2 | Very low | 90 Ų | 90 | 131 Ų | 131 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | trans | 43.3 | 137.2 | 139.8 | -25.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 834 | D | 28.6 | Very low | 30.2 | Very low | 145.75 Ų | 145.75 | 131.3 Ų | 131.3 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | 145.1 | 167.5 | 69.8 | -108.4 | -49.6 | 0 | 0 | 0 | 118.2 | |||||
| 835 | L | 30.2 | Very low | 30.2 | Very low | 150.5 Ų | 150.5 | 131.6 Ų | 131.6 | 79% | 0.788 | 74% | 0.742 | S | S | * | * | trans | 83.6 | 132.1 | 163 | -56.6 | 173.8 | 0 | 0 | 0 | 119.8 | ||||
| 836 | V | 32.6 | Very low | 30.2 | Very low | 115.75 Ų | 115.75 | 134.3 Ų | 134.3 | 70% | 0.702 | 74% | 0.74 | S | S | * | * | trans | 144.1 | 121 | 149.9 | 173.2 | 0 | 0 | 0 | 0 | 115.1 | D1661 | V836-D1661 HydrophobicContact CG2-CB 4.22Š| ||
| 837 | R | 28.8 | Very low | 30.4 | Very low | 206.75 Ų | 206.75 | 136 Ų | 136 | 78% | 0.78 | 74% | 0.741 | S | S | * | * | trans | 11.8 | 119.1 | 136.6 | -160.1 | -175 | -139.4 | 163.7 | 5.5 | 114.1 | D1661 N1663 | R837-D1661 IonicContact CZ-OD1 3.49Å; R837-D1661 IonicContact CZ-OD2 3.81Å; R837-D1661 VanDerWaalsContact CZ-OD2 3.3Å; R837-D1661 IonicContact NH1-OD1 2.66Å; R837-D1661 IonicContact NH1-OD2 3.76Å; R837-D1661 PolarHBondContact NH1-OD2 3.16Å; R837-D1661 VanDerWaalsContact NH2-CG 3.29Å; R837-D1661 IonicContact NH2-OD1 2.98Å; R837-D1661 PolarHBondContact NH2-OD1 2.96Å; R837-D1661 IonicContact NH2-OD2 3.74Å; R837-D1661 PolarHBondContact NH2-OD2 3.38Å; R837-N1663 HydrophobicContact CG-CB 4.3Å; R837-N1663 PolarHBondContact NE-ND2 3.16Å; R837-N1663 VanDerWaalsContact NE-ND2 3.18Å; R837-N1663 PolarHBondContact NH2-ND2 3.38Å | ||
| 838 | K | 31.2 | Very low | 30.4 | Very low | 195 Ų | 195 | 137.9 Ų | 137.9 | 85% | 0.848 | 75% | 0.746 | S | S | * | * | trans | -147.6 | 123.7 | 133.3 | -89.3 | -177.7 | 177.2 | 178.6 | 0 | 113.8 | ||||
| 839 | S | 30.4 | Very low | 30.4 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -109.2 | 153.7 | 161.3 | 51.4 | 0 | 0 | 0 | 0 | 111.2 | ||
| 840 | P | 36 | Very low | 30.5 | Very low | 107.75 Ų | 107.75 | 136.2 Ų | 136.2 | 70% | 0.7 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 164.7 | 161.1 | 34.7 | -31 | 0 | 0 | 0 | 113.4 | ||
| 841 | P | 35.3 | Very low | 30.6 | Very low | 105.25 Ų | 105.25 | 137.2 Ų | 137.2 | 68% | 0.683 | 76% | 0.756 | S | S | * | * | trans | -92.8 | 143.8 | -176.1 | 33.2 | -29.3 | 0 | 0 | 0 | 111.9 | ||||
| 842 | P | 34 | Very low | 30.4 | Very low | 119.75 Ų | 119.75 | 135 Ų | 135 | 78% | 0.778 | 76% | 0.758 | S | S | * | * | trans | -84.5 | 149.5 | 176.6 | 32.8 | -33.5 | 0 | 0 | 0 | 113 | V844 | P842-V844 PolarHBondContact O-N 3.27Å; P842-V844 VanDerWaalsContact O-N 3.15Å | ||
| 843 | T | 29.5 | Very low | 30.4 | Very low | 136 Ų | 136 | 132.6 Ų | 132.6 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | -76.6 | 122.1 | 175 | 22.1 | 0 | 0 | 0 | 0 | 111.9 | S845 | T843-S845 PolarHBondContact O-N 2.9Š| ||
| 844 | V | 30.4 | Very low | 30.4 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -90.4 | 114.9 | 165.6 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | P842 Y846 | P842-V844 PolarHBondContact O-N 3.27Å; P842-V844 VanDerWaalsContact O-N 3.15Å; V844-Y846 HydrophobicContact CG1-CD1 4.5Å; V844-Y846 PolarHBondContact O-N 2.91Å | ||
| 845 | S | 27.3 | Very low | 30.4 | Very low | 106.5 Ų | 106.5 | 132.2 Ų | 132.2 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | trans | -90.5 | 121.2 | 170.9 | -62.4 | 0 | 0 | 0 | 0 | 110.1 | T843 K847 | T843-S845 PolarHBondContact O-N 2.9Å; S845-K847 VanDerWaalsContact C-N 3.26Å; S845-K847 PolarHBondContact O-N 3.27Å | ||
| 846 | Y | 28.5 | Very low | 30.4 | Very low | 183 Ų | 183 | 130.4 Ų | 130.4 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | trans | -92.9 | 108.4 | 167.6 | 49.9 | -89.6 | 0 | 0 | 0 | 111.4 | V844 L848 | V844-Y846 HydrophobicContact CG1-CD1 4.5Å; V844-Y846 PolarHBondContact O-N 2.91Å; Y846-L848 VanDerWaalsContact C-N 3.34Å; Y846-L848 PolarHBondContact O-N 2.92Å | ||
| 847 | K | 29.6 | Very low | 30.4 | Very low | 185.5 Ų | 185.5 | 130.2 Ų | 130.2 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | trans | -87.9 | 119.1 | 172.2 | -137.7 | 177 | -178 | -179.7 | 0 | 110 | N808 S845 A849 | N808-K847 PolarHBondContact ND2-NZ 2.94Å; N808-K847 VanDerWaalsContact ND2-NZ 3.11Å; S845-K847 VanDerWaalsContact C-N 3.26Å; S845-K847 PolarHBondContact O-N 3.27Å; K847-A849 PolarHBondContact O-N 3.23Å | ||
| 848 | L | 27.4 | Very low | 30.6 | Very low | 157 Ų | 157 | 126.2 Ų | 126.2 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -81.5 | 122.8 | 171.9 | -95.5 | 145.9 | 0 | 0 | 0 | 110.7 | Y846 V850 | Y846-L848 VanDerWaalsContact C-N 3.34Å; Y846-L848 PolarHBondContact O-N 2.92Å; L848-V850 HydrophobicContact CD2-CG2 4.46Å | ||
| 849 | A | 29.5 | Very low | 30.8 | Very low | 86 Ų | 86 | 122.5 Ų | 122.5 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -105.4 | 110.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | K847 S851 | K847-A849 PolarHBondContact O-N 3.23Å; A849-S851 PolarHBondContact O-N 3.19Å | ||
| 850 | V | 30.7 | Very low | 31.2 | Very low | 135.75 Ų | 135.75 | 122.8 Ų | 122.8 | 82% | 0.823 | 77% | 0.771 | S | S | * | * | trans | -69.7 | 109.5 | 163.7 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | L848 S852 | L848-V850 HydrophobicContact CD2-CG2 4.46Å; V850-S852 PolarHBondContact O-N 2.96Å | ||
| 851 | S | 29.3 | Very low | 31 | Very low | 112.75 Ų | 112.75 | 126.6 Ų | 126.6 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | trans | -110.6 | 118.9 | 163.3 | -68.3 | 0 | 0 | 0 | 0 | 111.9 | A849 A853 | A849-S851 PolarHBondContact O-N 3.19Å; S851-A853 PolarHBondContact O-N 2.94Å | ||
| 852 | S | 28.7 | Very low | 30.8 | Very low | 114.75 Ų | 114.75 | 126.6 Ų | 126.6 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | -72.9 | 114.4 | 163.3 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | V850 | V850-S852 PolarHBondContact O-N 2.96Š| ||
| 853 | A | 30.5 | Very low | 30.6 | Very low | 98.75 Ų | 98.75 | 127.6 Ų | 127.6 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | trans | -116.5 | 139.7 | 153.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S851 | S851-A853 PolarHBondContact O-N 2.94Š| ||
| 854 | S | 29.5 | Very low | 30.4 | Very low | 114.25 Ų | 114.25 | 126.5 Ų | 126.5 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | -151.4 | 145 | 160.4 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 855 | S | 29.4 | Very low | 30.3 | Very low | 111.75 Ų | 111.75 | 127 Ų | 127 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | -159.1 | 129.5 | 165.5 | 53.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 856 | S | 30.4 | Very low | 30.2 | Very low | 113.5 Ų | 113.5 | 131.4 Ų | 131.4 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | -174.3 | 136.8 | 129.3 | 56.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 857 | S | 32.7 | Very low | 30 | Very low | 110.25 Ų | 110.25 | 130.4 Ų | 130.4 | 77% | 0.771 | 79% | 0.786 | S | S | * | * | trans | -172 | 137.7 | 136.2 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 858 | T | 32.6 | Very low | 29.9 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | 139.8 | 158.7 | 156.9 | 49.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 859 | P | 35 | Very low | 29.8 | Very low | 116.5 Ų | 116.5 | 128.6 Ų | 128.6 | 76% | 0.756 | 78% | 0.78 | S | S | * | * | cis | -127.1 | -156.7 | 22.8 | 38 | -17.9 | 0 | 0 | 0 | 113.3 | ||||
| 860 | P | 38.6 | Very low | 29.7 | Very low | 110.75 Ų | 110.75 | 129.9 Ų | 129.9 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | trans | -126.3 | -179.9 | -131.2 | 40.3 | -23.5 | 0 | 0 | 0 | 115.2 | ||||
| 861 | E | 31.8 | Very low | 29.5 | Very low | 188.5 Ų | 188.5 | 128.6 Ų | 128.6 | 88% | 0.881 | 78% | 0.781 | S | S | * | * | trans | -152.4 | 157.2 | 153.1 | -94.4 | 170.4 | -171.6 | 0 | 0 | 116.5 | ||||
| 862 | S | 30.7 | Very low | 29.5 | Very low | 105.75 Ų | 105.75 | 129.4 Ų | 129.4 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | trans | -119.2 | 147.5 | 173 | 11.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 863 | T | 31.5 | Very low | 29.4 | Very low | 141.25 Ų | 141.25 | 130.6 Ų | 130.6 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | -179.6 | 155.5 | 114.2 | -44.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 864 | C | 24.8 | Very low | 29.3 | Very low | 111.75 Ų | 111.75 | 135.6 Ų | 135.6 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -102.9 | 149.3 | -178.5 | -146.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 865 | V | 28.2 | Very low | 29.2 | Very low | 139.25 Ų | 139.25 | 136.1 Ų | 136.1 | 84% | 0.844 | 77% | 0.771 | S | S | * | * | 172.4 | 153.7 | 93.2 | 158.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 866 | R | 23.8 | Very low | 29.1 | Very low | 199 Ų | 199 | 137.9 Ų | 137.9 | 75% | 0.751 | 77% | 0.772 | S | S | * | * | trans | -145.5 | 149.9 | -175.3 | 178.7 | -174.6 | -147 | 163.6 | 3.2 | 113 | ||||
| 867 | F | 25.9 | Very low | 29 | Very low | 162.25 Ų | 162.25 | 138.9 Ų | 138.9 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | trans | 160.2 | 161.7 | 132.4 | -92.3 | -82.5 | 0 | 0 | 0 | 113 | ||||
| 868 | Q | 27.8 | Very low | 28.8 | Very low | 156.5 Ų | 156.5 | 138.6 Ų | 138.6 | 73% | 0.731 | 77% | 0.766 | S | S | * | * | trans | 143.1 | 146.5 | 142.8 | -92.4 | 159 | -21 | 0 | 0 | 117.3 | ||||
| 869 | N | 24.7 | Very low | 28.6 | Very low | 146.75 Ų | 146.75 | 143.7 Ų | 143.7 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 23.6 | 142.3 | 134.4 | -66.7 | 7.5 | 0 | 0 | 0 | 116.3 | ||||
| 870 | S | 26.9 | Very low | 28.3 | Very low | 113.5 Ų | 113.5 | 144.7 Ų | 144.7 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | -168.9 | 151.5 | 67.1 | -72.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 871 | S | 26.4 | Very low | 27.7 | Very low | 109 Ų | 109 | 150.3 Ų | 150.3 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -153.3 | 137.8 | 172.6 | 57 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 872 | T | 29 | Very low | 27.6 | Very low | 129.75 Ų | 129.75 | 146.5 Ų | 146.5 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | -176.7 | 150 | 93.4 | 46.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 873 | L | 26.6 | Very low | 27.4 | Very low | 138.75 Ų | 138.75 | 149 Ų | 149 | 73% | 0.726 | 78% | 0.779 | S | S | * | * | trans | -177 | 138.4 | 162.8 | -94.8 | 130.7 | 0 | 0 | 0 | 113.2 | ||||
| 874 | Y | 29 | Very low | 27.1 | Very low | 204 Ų | 204 | 149.4 Ų | 149.4 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | 79.8 | 142 | 150 | -76 | -77.4 | 0 | 0 | 0 | 118 | ||||
| 875 | D | 27.8 | Very low | 27.3 | Very low | 126.25 Ų | 126.25 | 149.5 Ų | 149.5 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | -137.8 | 146.3 | 72.4 | -103 | -30.9 | 0 | 0 | 0 | 116 | |||||
| 876 | N | 26.7 | Very low | 27.1 | Very low | 147.75 Ų | 147.75 | 146.3 Ų | 146.3 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -20.6 | 138.2 | 141.6 | -71.9 | -59 | 0 | 0 | 0 | 115.1 | ||||
| 877 | D | 28.1 | Very low | 27.3 | Very low | 136.25 Ų | 136.25 | 141.8 Ų | 141.8 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | -138.9 | 159.3 | 110.8 | -154.7 | -12.8 | 0 | 0 | 0 | 111.2 | R879 | D877-R879 IonicContact OD2-CZ 3.85Å; D877-R879 IonicContact OD2-NE 2.71Å; D877-R879 PolarHBondContact OD2-NE 2.86Å; D877-R879 IonicContact OD2-NH2 2.66Å | |||
| 878 | S | 28.8 | Very low | 27.2 | Very low | 102.75 Ų | 102.75 | 139.3 Ų | 139.3 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | trans | -147.2 | 116 | -176.4 | 55.1 | 0 | 0 | 0 | 0 | 112.8 | T880 | S878-T880 PolarHBondContact O-N 2.68Š| ||
| 879 | R | 27.8 | Very low | 27.4 | Very low | 232 Ų | 232 | 137.4 Ų | 137.4 | 88% | 0.875 | 76% | 0.763 | S | S | * | * | trans | -118.8 | 116.3 | 162.9 | -94 | 166.8 | -150.5 | -172.3 | -0 | 112.6 | D877 R881 | D877-R879 IonicContact OD2-CZ 3.85Å; D877-R879 IonicContact OD2-NE 2.71Å; D877-R879 PolarHBondContact OD2-NE 2.86Å; D877-R879 IonicContact OD2-NH2 2.66Å; R879-R881 PolarHBondContact O-N 3.48Å; R879-R881 VanDerWaalsContact O-N 3.1Å | ||
| 880 | T | 28.8 | Very low | 27.6 | Very low | 136.25 Ų | 136.25 | 134.3 Ų | 134.3 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | trans | -71.7 | 119.4 | 164.5 | 51.1 | 0 | 0 | 0 | 0 | 113.7 | S878 P882 | S878-T880 PolarHBondContact O-N 2.68Å; T880-P882 WeakPolarHBondContact O-CD 3.43Å | ||
| 881 | R | 25.9 | Very low | 27.7 | Very low | 229.25 Ų | 229.25 | 135.2 Ų | 135.2 | 87% | 0.865 | 75% | 0.753 | S | S | * | * | trans | -102.7 | 132.1 | 166.7 | -157.7 | -168.8 | -149.9 | -152.8 | 1.4 | 110.9 | R879 N883 | R879-R881 PolarHBondContact O-N 3.48Å; R879-R881 VanDerWaalsContact O-N 3.1Å; R881-N883 PolarHBondContact O-N 3.09Å | ||
| 882 | P | 29.6 | Very low | 28 | Very low | 109.25 Ų | 109.25 | 133.3 Ų | 133.3 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | trans | -81.5 | 143.6 | 175.6 | 32.1 | -33.2 | 0 | 0 | 0 | 111.8 | T880 I884 | T880-P882 WeakPolarHBondContact O-CD 3.43Å; P882-I884 PolarHBondContact O-N 3.26Å | ||
| 883 | N | 26.4 | Very low | 28.1 | Very low | 156.75 Ų | 156.75 | 135 Ų | 135 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | trans | -90.8 | 132.2 | 170.3 | -80.9 | -38.2 | 0 | 0 | 0 | 110.9 | R881 P885 | R881-N883 PolarHBondContact O-N 3.09Å; N883-P885 WeakPolarHBondContact O-CD 3.19Å | ||
| 884 | I | 26.4 | Very low | 28.6 | Very low | 149.75 Ų | 149.75 | 130.5 Ų | 130.5 | 77% | 0.768 | 72% | 0.723 | S | S | * | * | trans | -106.7 | 119.1 | 171.9 | -60.7 | 172.3 | 0 | 0 | 0 | 107.8 | P882 G886 | P882-I884 PolarHBondContact O-N 3.26Å; I884-G886 PolarHBondContact O-N 3.13Å | ||
| 885 | P | 28 | Very low | 28.8 | Very low | 115.5 Ų | 115.5 | 124.7 Ų | 124.7 | 75% | 0.75 | 72% | 0.724 | S | S | * | * | trans | -98.5 | 140.5 | 151.3 | 21.2 | -14.1 | 0 | 0 | 0 | 111.7 | N883 S887 | N883-P885 WeakPolarHBondContact O-CD 3.19Å; P885-S887 PolarHBondContact O-N 3.26Å | ||
| 886 | G | 25.2 | Very low | 29.2 | Very low | 70.75 Ų | 70.75 | 120.8 Ų | 120.8 | 73% | 0.729 | 71% | 0.706 | S | S | * | * | trans | -82.9 | 128.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | I884 C888 | I884-G886 PolarHBondContact O-N 3.13Å; G886-C888 VanDerWaalsContact C-N 3.29Å; G886-C888 PolarHBondContact O-N 3.1Å | ||
| 887 | S | 26.5 | Very low | 29.5 | Very low | 104.25 Ų | 104.25 | 118.7 Ų | 118.7 | 73% | 0.729 | 70% | 0.701 | S | S | * | * | trans | -92.7 | 77.4 | 165.7 | -2.8 | 0 | 0 | 0 | 0 | 112.8 | P885 I889 | P885-S887 PolarHBondContact O-N 3.26Å; S887-I889 PolarHBondContact O-N 3.25Å; S887-I889 VanDerWaalsContact O-N 3.13Å | ||
| 888 | C | 25.1 | Very low | 29.9 | Very low | 109.5 Ų | 109.5 | 117.9 Ų | 117.9 | 74% | 0.74 | 70% | 0.696 | S | S | * | * | trans | -77.5 | 109 | 162.5 | -10.5 | 0 | 0 | 0 | 0 | 109.2 | G886 A890 | G886-C888 VanDerWaalsContact C-N 3.29Å; G886-C888 PolarHBondContact O-N 3.1Å; C888-A890 VanDerWaalsContact C-N 3.32Å; C888-A890 PolarHBondContact O-N 3.35Å | ||
| 889 | I | 31 | Very low | 30.1 | Very low | 116.75 Ų | 116.75 | 116.3 Ų | 116.3 | 60% | 0.599 | 68% | 0.684 | S | S | * | * | trans | -88.8 | 110.2 | -165 | -69.8 | 173.6 | 0 | 0 | 0 | 110.4 | S887 L891 F990 | S887-I889 PolarHBondContact O-N 3.25Å; S887-I889 VanDerWaalsContact O-N 3.13Å; I889-L891 HydrophobicContact CG2-CB 4.29Å; I889-L891 HydrophobicContact CG2-CD1 3.54Å; I889-L891 HydrophobicContact CG2-CD2 3.66Å; I889-L891 HydrophobicContact CG2-CG 4.06Å; I889-L891 PolarHBondContact O-N 3.29Å; I889-F990 HydrophobicContact CD1-CD1 4.37Å; I889-F990 HydrophobicContact CD1-CE1 4.11Å | ||
| 890 | A | 28.7 | Very low | 30.4 | Very low | 82 Ų | 82 | 109.2 Ų | 109.2 | 68% | 0.678 | 67% | 0.667 | S | S | * | * | trans | -73.3 | 130.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | C888 C892 | C888-A890 VanDerWaalsContact C-N 3.32Å; C888-A890 PolarHBondContact O-N 3.35Å; A890-C892 PolarHBondContact O-N 3.28Å | ||
| 891 | L | 30 | Very low | 30.4 | Very low | 133.5 Ų | 133.5 | 108.5 Ų | 108.5 | 70% | 0.699 | 67% | 0.665 | S | S | * | * | trans | -57 | 79.5 | 179.4 | -65.1 | 169.1 | 0 | 0 | 0 | 113.7 | Q738 I742 I889 N893 Q1036 | Q738-L891 HydrophobicContact CG-CD2 4.02Å; Q738-L891 VanDerWaalsContact NE2-CA 3.29Å; Q738-L891 PolarHBondContact NE2-O 2.91Å; I742-L891 HydrophobicContact CD1-CB 4.1Å; I889-L891 HydrophobicContact CG2-CB 4.29Å; I889-L891 HydrophobicContact CG2-CD1 3.54Å; I889-L891 HydrophobicContact CG2-CD2 3.66Å; I889-L891 HydrophobicContact CG2-CG 4.06Å; I889-L891 PolarHBondContact O-N 3.29Å; L891-N893 PolarHBondContact O-N 2.99Å; L891-N893 VanDerWaalsContact O-N 3.15Å; L891-Q1036 HydrophobicContact CB-CB 4.33Å | ||
| 892 | C | 31.9 | Very low | 30.6 | Very low | 68.25 Ų | 68.25 | 103.5 Ų | 103.5 | 46% | 0.461 | 66% | 0.66 | S | S | . | * | trans | -122.6 | 101.8 | 155.2 | 172.3 | 0 | 0 | 0 | 0 | 108.5 | M739 A890 C894 C899 | M739-C892 HydrophobicContact CE-CB 4.39Å; A890-C892 PolarHBondContact O-N 3.28Å; C892-C894 HydrophobicContact CB-CB 4.22Å; C892-C894 WeakPolarHBondContact CB-SG 3.33Å; C892-C894 PolarHBondContact O-N 2.95Å; C892-C894 PolarHBondContact O-SG 3.08Å; C892-C894 VanDerWaalsContact SG-CA 3.53Å; C892-C894 WeakPolarHBondContact SG-CB 3.41Å; C892-C894 PolarHBondContact SG-N 3.11Å; C892-C894 PolarHBondContact SG-O 3.14Å; C892-C894 CovalentContact SG-SG 2.05Å; C892-C894 PolarHBondContact SG-SG 3.24Å; C892-C899 HydrophobicContact CB-CB 4.34Å; C892-C899 WeakPolarHBondContact SG-CB 3.35Å | ||
| 893 | N | 31.9 | Very low | 30.5 | Very low | 165 Ų | 165 | 103.1 Ų | 103.1 | 88% | 0.882 | 66% | 0.659 | S | S | * | * | trans | -94.3 | 53.1 | 166.8 | -144.7 | 10.4 | 0 | 0 | 0 | 109.3 | K735 L891 | K735-N893 PolarHBondContact NZ-O 3.35Å; L891-N893 PolarHBondContact O-N 2.99Å; L891-N893 VanDerWaalsContact O-N 3.15Å | ||
| 894 | C | 37.2 | Very low | 30.5 | Very low | 45.25 Ų | 45.25 | 104.8 Ų | 104.8 | 31% | 0.306 | 66% | 0.655 | S | S | . | * | trans | -114.2 | 14 | -157.8 | 62.1 | 0 | 0 | 0 | 0 | 113.1 | C892 C896 C899 R1010 | C892-C894 HydrophobicContact CB-CB 4.22Å; C892-C894 WeakPolarHBondContact CB-SG 3.33Å; C892-C894 PolarHBondContact O-N 2.95Å; C892-C894 PolarHBondContact O-SG 3.08Å; C892-C894 VanDerWaalsContact SG-CA 3.53Å; C892-C894 WeakPolarHBondContact SG-CB 3.41Å; C892-C894 PolarHBondContact SG-N 3.11Å; C892-C894 PolarHBondContact SG-O 3.14Å; C892-C894 CovalentContact SG-SG 2.05Å; C892-C894 PolarHBondContact SG-SG 3.24Å; C894-C896 PolarHBondContact O-N 3.32Å; C894-C896 PolarHBondContact O-SG 2.97Å; C894-C896 VanDerWaalsContact O-SG 3.38Å; C894-C899 VanDerWaalsContact SG-SG 3.68Å; C894-R1010 WeakPolarHBondContact O-CD 3.34Å; C894-R1010 PolarHBondContact O-NE 3.08Å; C894-R1010 PolarHBondContact O-NH1 3.46Å; C894-R1010 VanDerWaalsContact O-NH1 3.12Å | ||
| 895 | G | 32.2 | Very low | 30.5 | Very low | 81 Ų | 81 | 104.8 Ų | 104.8 | 84% | 0.835 | 66% | 0.656 | S | S | * | * | trans | 48.6 | 12.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 896 | C | 36.2 | Very low | 30.5 | Very low | 44 Ų | 44 | 104.4 Ų | 104.4 | 30% | 0.297 | 65% | 0.653 | S | S | . | * | trans | -76.7 | 138.1 | -177.5 | -116.2 | 0 | 0 | 0 | 0 | 111.4 | C894 L898 C899 | C894-C896 PolarHBondContact O-N 3.32Å; C894-C896 PolarHBondContact O-SG 2.97Å; C894-C896 VanDerWaalsContact O-SG 3.38Å; C896-L898 PolarHBondContact O-N 3.01Å; C896-L898 VanDerWaalsContact O-N 3.16Å; C896-C899 HydrophobicContact CB-CB 4.49Å; C896-C899 PolarHBondContact O-N 3.08Å | ||
| 897 | P | 33.2 | Very low | 30.5 | Very low | 104.5 Ų | 104.5 | 106.6 Ų | 106.6 | 68% | 0.679 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -10.9 | 176.4 | -13.6 | 19.7 | 0 | 0 | 0 | 115.1 | C899 T900 V1013 | P897-C899 VanDerWaalsContact C-N 3.34Å; P897-C899 PolarHBondContact O-N 3.12Å; P897-T900 PolarHBondContact O-N 2.84Å; P897-T900 PolarHBondContact O-OG1 2.84Å; P897-V1013 HydrophobicContact CG-CG2 4.37Å |
| 898 | L | 36.9 | Very low | 30.4 | Very low | 119 Ų | 119 | 111.4 Ų | 111.4 | 62% | 0.623 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | 1.7 | 175.9 | -66 | 169.6 | 0 | 0 | 0 | 113.8 | R616 L761 C896 | R616-L898 PolarHBondContact NH1-O 3.17Å; R616-L898 VanDerWaalsContact NH1-O 3.13Å; R616-L898 PolarHBondContact NH2-O 3.47Å; L761-L898 HydrophobicContact CB-CD1 3.6Å; L761-L898 HydrophobicContact CD1-CD1 4.45Å; C896-L898 PolarHBondContact O-N 3.01Å; C896-L898 VanDerWaalsContact O-N 3.16Å |
| 899 | C | 33.4 | Very low | 30.5 | Very low | 69 Ų | 69 | 111.5 Ų | 111.5 | 47% | 0.466 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -122.5 | 4.2 | -177.3 | -60.5 | 0 | 0 | 0 | 0 | 113.6 | C892 C894 C896 P897 | C892-C899 HydrophobicContact CB-CB 4.34Å; C892-C899 WeakPolarHBondContact SG-CB 3.35Å; C894-C899 VanDerWaalsContact SG-SG 3.68Å; C896-C899 HydrophobicContact CB-CB 4.49Å; C896-C899 PolarHBondContact O-N 3.08Å; P897-C899 VanDerWaalsContact C-N 3.34Å; P897-C899 PolarHBondContact O-N 3.12Å |
| 900 | T | 33.1 | Very low | 30.3 | Very low | 84.5 Ų | 84.5 | 112.7 Ų | 112.7 | 52% | 0.518 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -82.9 | 134.2 | 169.3 | 46.2 | 0 | 0 | 0 | 0 | 110.6 | P897 V902 | P897-T900 PolarHBondContact O-N 2.84Å; P897-T900 PolarHBondContact O-OG1 2.84Å; T900-V902 PolarHBondContact O-N 3.08Å; T900-V902 VanDerWaalsContact O-N 3.13Å |
| 901 | P | 30.3 | Very low | 30.1 | Very low | 120.5 Ų | 120.5 | 114.6 Ų | 114.6 | 78% | 0.782 | 66% | 0.664 | S | S | * | * | trans | -66.2 | 120.7 | 170.7 | 17.1 | -17.7 | 0 | 0 | 0 | 109.9 | S903 | P901-S903 VanDerWaalsContact C-N 3.29Å; P901-S903 PolarHBondContact O-N 3.32Å; P901-S903 PolarHBondContact O-OG 3.17Å | ||
| 902 | V | 29.9 | Very low | 30 | Very low | 125.5 Ų | 125.5 | 114.6 Ų | 114.6 | 76% | 0.761 | 67% | 0.669 | S | S | * | * | trans | -73.8 | 117.8 | 178.5 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | T900 Y904 | T900-V902 PolarHBondContact O-N 3.08Å; T900-V902 VanDerWaalsContact O-N 3.13Å; V902-Y904 HydrophobicContact CG1-CD2 3.89Å; V902-Y904 HydrophobicContact CG1-CE2 4.08Å; V902-Y904 PolarHBondContact O-N 2.82Å | ||
| 903 | S | 26.6 | Very low | 29.9 | Very low | 100.75 Ų | 100.75 | 116.3 Ų | 116.3 | 71% | 0.705 | 68% | 0.681 | S | S | * | * | trans | -118.7 | 94.6 | -178.9 | -40 | 0 | 0 | 0 | 0 | 113.4 | P901 | P901-S903 VanDerWaalsContact C-N 3.29Å; P901-S903 PolarHBondContact O-N 3.32Å; P901-S903 PolarHBondContact O-OG 3.17Å | ||
| 904 | Y | 27.2 | Very low | 29.7 | Very low | 192.25 Ų | 192.25 | 115.8 Ų | 115.8 | 75% | 0.754 | 68% | 0.679 | S | S | * | * | trans | 115.7 | 86.5 | 162.3 | -75.5 | -75.8 | 0 | 0 | 0 | 116.4 | V902 | V902-Y904 HydrophobicContact CG1-CD2 3.89Å; V902-Y904 HydrophobicContact CG1-CE2 4.08Å; V902-Y904 PolarHBondContact O-N 2.82Å | ||
| 905 | L | 25.9 | Very low | 29.6 | Very low | 148.5 Ų | 148.5 | 119.1 Ų | 119.1 | 78% | 0.777 | 70% | 0.7 | S | S | * | * | trans | -89 | 140.5 | 145.5 | -102.5 | 90.9 | 0 | 0 | 0 | 112.3 | V907 | L905-V907 PolarHBondContact O-N 2.82Å; L905-V907 VanDerWaalsContact O-N 3.09Å | ||
| 906 | P | 28.6 | Very low | 29.5 | Very low | 107.5 Ų | 107.5 | 119.4 Ų | 119.4 | 70% | 0.698 | 70% | 0.695 | S | S | * | * | trans | -97 | 122.5 | -178.5 | 27.8 | -18.4 | 0 | 0 | 0 | 112.3 | Y908 | P906-Y908 PolarHBondContact O-N 3.4Å; P906-Y908 VanDerWaalsContact O-N 3.11Å | ||
| 907 | V | 24.8 | Very low | 29.2 | Very low | 116.75 Ų | 116.75 | 123.6 Ų | 123.6 | 71% | 0.708 | 72% | 0.719 | S | S | * | * | trans | -64.1 | 113.8 | 169.6 | -169.1 | 0 | 0 | 0 | 0 | 112 | L905 T909 | L905-V907 PolarHBondContact O-N 2.82Å; L905-V907 VanDerWaalsContact O-N 3.09Å; V907-T909 HydrophobicContact CG1-CG2 4.2Å; V907-T909 PolarHBondContact O-N 2.84Å; V907-T909 VanDerWaalsContact O-N 3.1Å | ||
| 908 | Y | 25.2 | Very low | 29 | Very low | 204.5 Ų | 204.5 | 123.3 Ų | 123.3 | 80% | 0.802 | 72% | 0.719 | S | S | * | * | trans | -78.3 | 102.9 | 165.9 | -86.2 | -81.9 | 0 | 0 | 0 | 113 | P906 N910 | P906-Y908 PolarHBondContact O-N 3.4Å; P906-Y908 VanDerWaalsContact O-N 3.11Å; Y908-N910 PolarHBondContact O-N 3.25Å | ||
| 909 | T | 25.6 | Very low | 28.6 | Very low | 112.25 Ų | 112.25 | 129 Ų | 129 | 69% | 0.689 | 73% | 0.732 | S | S | * | * | trans | -71.1 | 96.5 | 159.8 | 46.3 | 0 | 0 | 0 | 0 | 112.6 | V907 V911 | V907-T909 HydrophobicContact CG1-CG2 4.2Å; V907-T909 PolarHBondContact O-N 2.84Å; V907-T909 VanDerWaalsContact O-N 3.1Å; T909-V911 PolarHBondContact O-N 3.1Å | ||
| 910 | N | 26.8 | Very low | 28.4 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | trans | -129.1 | 121.2 | 141.8 | -96.7 | -24.7 | 0 | 0 | 0 | 111.3 | Y908 | Y908-N910 PolarHBondContact O-N 3.25Š| ||
| 911 | V | 26.4 | Very low | 28.3 | Very low | 121.75 Ų | 121.75 | 132.5 Ų | 132.5 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | trans | -67.7 | 93 | 151.6 | 179.9 | 0 | 0 | 0 | 0 | 112.6 | T909 S913 | T909-V911 PolarHBondContact O-N 3.1Å; V911-S913 WeakPolarHBondContact CG1-OG 3.23Å; V911-S913 PolarHBondContact O-N 3.45Å | ||
| 912 | V | 26.7 | Very low | 28.4 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | trans | -75.2 | 111.7 | 156.7 | -179 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 913 | S | 29.6 | Very low | 28.4 | Very low | 102.75 Ų | 102.75 | 134.4 Ų | 134.4 | 72% | 0.719 | 75% | 0.749 | S | S | * | * | trans | -131.6 | 111.8 | 158.2 | -12.2 | 0 | 0 | 0 | 0 | 113.6 | V911 P915 | V911-S913 WeakPolarHBondContact CG1-OG 3.23Å; V911-S913 PolarHBondContact O-N 3.45Å; S913-P915 WeakPolarHBondContact O-CD 3.38Å | ||
| 914 | N | 27.7 | Very low | 28.7 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | trans | -67.7 | 147.7 | 153.8 | -101.7 | -7.3 | 0 | 0 | 0 | 112.2 | ||||
| 915 | P | 34.4 | Very low | 29 | Very low | 115.75 Ų | 115.75 | 129.8 Ų | 129.8 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | trans | -112.8 | 163.5 | 163 | 36.2 | -21.6 | 0 | 0 | 0 | 111.6 | S913 V917 | S913-P915 WeakPolarHBondContact O-CD 3.38Å; P915-V917 PolarHBondContact O-N 3.16Å | ||
| 916 | A | 30.3 | Very low | 29.3 | Very low | 87.25 Ų | 87.25 | 127 Ų | 127 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | -157.1 | 152.3 | 70.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 917 | V | 30.9 | Very low | 29.5 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | trans | 71.3 | 116.3 | 148.1 | 173.4 | 0 | 0 | 0 | 0 | 115.4 | P915 | P915-V917 PolarHBondContact O-N 3.16Š| ||
| 918 | S | 28.5 | Very low | 29.8 | Very low | 98.5 Ų | 98.5 | 129.7 Ų | 129.7 | 69% | 0.689 | 74% | 0.744 | S | S | * | * | 138.9 | 118.4 | 77.1 | -74.6 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 919 | R | 29.6 | Very low | 30 | Very low | 237.5 Ų | 237.5 | 124.6 Ų | 124.6 | 90% | 0.896 | 74% | 0.738 | S | S | * | * | 125.3 | 143.1 | 119.3 | -85.2 | 170.2 | -175.3 | -175.4 | 1.4 | 112.9 | |||||
| 920 | S | 28.6 | Very low | 30.2 | Very low | 102.5 Ų | 102.5 | 128.9 Ų | 128.9 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | cis | -172.6 | 152.9 | -5.7 | 51.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 921 | V | 31.2 | Very low | 30.2 | Very low | 125.75 Ų | 125.75 | 126.9 Ų | 126.9 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | -162.8 | 149.5 | 74.4 | 160.2 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 922 | H | 32.3 | Very low | 30.3 | Very low | 157.25 Ų | 157.25 | 127.7 Ų | 127.7 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | trans | 45.7 | 146.1 | 149 | -76.3 | -92.2 | 0 | 0 | 0 | 116.6 | ||||
| 923 | D | 30 | Very low | 30.4 | Very low | 128 Ų | 128 | 125.9 Ų | 125.9 | 68% | 0.684 | 74% | 0.744 | S | S | * | * | cis | -159.1 | 166.1 | 7.1 | -122.4 | -17.8 | 0 | 0 | 0 | 113.2 | ||||
| 924 | S | 33.1 | Very low | 30.4 | Very low | 86.75 Ų | 86.75 | 128.3 Ų | 128.3 | 61% | 0.607 | 75% | 0.748 | S | S | * | * | 112 | 129.1 | 67 | -94.2 | 0 | 0 | 0 | 0 | 118 | |||||
| 925 | S | 32.2 | Very low | 30.5 | Very low | 110.5 Ų | 110.5 | 127.5 Ų | 127.5 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | 67.2 | 148.7 | 128.8 | 80.4 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 926 | S | 32.5 | Very low | 30.3 | Very low | 88.5 Ų | 88.5 | 126.6 Ų | 126.6 | 62% | 0.619 | 74% | 0.74 | S | S | * | * | cis | 177.3 | 148.7 | 17.4 | 70.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 927 | H | 32.4 | Very low | 30.2 | Very low | 180.25 Ų | 180.25 | 129.1 Ų | 129.1 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | trans | 63.2 | 151.7 | 161.5 | -60.6 | -62.2 | 0 | 0 | 0 | 118.8 | ||||
| 928 | S | 31.4 | Very low | 30.3 | Very low | 100.25 Ų | 100.25 | 128 Ų | 128 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | cis | -157.9 | 149.5 | -14.4 | 51.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 929 | S | 30.1 | Very low | 30.3 | Very low | 97.25 Ų | 97.25 | 130.2 Ų | 130.2 | 68% | 0.68 | 74% | 0.744 | S | S | * | * | trans | 31.1 | 132.8 | 149.3 | -46.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 930 | F | 28.5 | Very low | 30.8 | Very low | 203.75 Ų | 203.75 | 124.1 Ų | 124.1 | 89% | 0.894 | 74% | 0.735 | S | S | * | * | -171.3 | 162.6 | 92.8 | -97.3 | -89 | 0 | 0 | 0 | 114.7 | |||||
| 931 | S | 26.7 | Very low | 30.8 | Very low | 101.25 Ų | 101.25 | 124.6 Ų | 124.6 | 71% | 0.708 | 73% | 0.734 | S | S | * | * | trans | 160 | 106.2 | -176.4 | -27 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 932 | T | 30.2 | Very low | 30.7 | Very low | 138 Ų | 138 | 127.6 Ų | 127.6 | 85% | 0.847 | 74% | 0.737 | S | S | * | * | trans | -160.1 | 141.8 | 150.4 | 37.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 933 | S | 28 | Very low | 30.4 | Very low | 96 Ų | 96 | 125.1 Ų | 125.1 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | cis | 174.8 | 152.2 | 31.1 | 58.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 934 | L | 29.8 | Very low | 30.3 | Very low | 152.5 Ų | 152.5 | 123.8 Ų | 123.8 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | trans | 79.7 | 131.2 | 152.9 | -63.5 | 163.4 | 0 | 0 | 0 | 115.4 | ||||
| 935 | N | 28.7 | Very low | 30.1 | Very low | 137 Ų | 137 | 126.8 Ų | 126.8 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | cis | 128.7 | 153 | 29.6 | -88.4 | 15.7 | 0 | 0 | 0 | 113 | ||||
| 936 | S | 30.2 | Very low | 29.9 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | -175 | 159.6 | 58.1 | 51.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 937 | D | 29.5 | Very low | 29.8 | Very low | 141 Ų | 141 | 130.9 Ų | 130.9 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | cis | 139.7 | 152.8 | 44.7 | -101.3 | -46.2 | 0 | 0 | 0 | 114.1 | ||||
| 938 | S | 33.2 | Very low | 29.6 | Very low | 108.25 Ų | 108.25 | 129.1 Ų | 129.1 | 76% | 0.757 | 74% | 0.737 | S | S | * | * | trans | 140.8 | 130.4 | 153.3 | 69.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 939 | N | 28.6 | Very low | 29.5 | Very low | 144.5 Ų | 144.5 | 131.4 Ų | 131.4 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | -100.9 | 159.9 | 90 | -114.5 | -5.9 | 0 | 0 | 0 | 111.8 | |||||
| 940 | P | 38.6 | Very low | 29.4 | Very low | 110.5 Ų | 110.5 | 131.6 Ų | 131.6 | 72% | 0.718 | 74% | 0.743 | S | S | * | * | -135.6 | -176.6 | 112 | 40.5 | -24.8 | 0 | 0 | 0 | 113.3 | |||||
| 941 | T | 30.2 | Very low | 29.4 | Very low | 111.75 Ų | 111.75 | 127.4 Ų | 127.4 | 69% | 0.686 | 73% | 0.734 | S | S | * | * | 142.3 | 146.7 | 110.8 | -17.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 942 | F | 27.6 | Very low | 29.6 | Very low | 190 Ų | 190 | 128.3 Ų | 128.3 | 83% | 0.833 | 74% | 0.736 | S | S | * | * | -174.7 | 148.9 | 81.8 | -119.4 | -117.8 | 0 | 0 | 0 | 111.5 | |||||
| 943 | C | 27.7 | Very low | 29.5 | Very low | 104.75 Ų | 104.75 | 127.9 Ų | 127.9 | 71% | 0.708 | 73% | 0.728 | S | S | * | * | -160.6 | 147.4 | 107.1 | -92.4 | 0 | 0 | 0 | 0 | 111 | |||||
| 944 | S | 26.9 | Very low | 29.4 | Very low | 99.75 Ų | 99.75 | 132 Ų | 132 | 70% | 0.698 | 73% | 0.734 | S | S | * | * | 135.2 | 161 | 57.8 | -157.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 945 | E | 28.1 | Very low | 29.3 | Very low | 150.75 Ų | 150.75 | 129 Ų | 129 | 70% | 0.704 | 73% | 0.726 | S | S | * | * | trans | 137.8 | 136.9 | 150.3 | -69.9 | 166 | 167.8 | 0 | 0 | 114.8 | ||||
| 946 | Y | 28.9 | Very low | 29.2 | Very low | 199.5 Ų | 199.5 | 128.4 Ų | 128.4 | 78% | 0.782 | 73% | 0.728 | S | S | * | * | 144 | 155.9 | 56.9 | -87.9 | -69 | 0 | 0 | 0 | 114.7 | |||||
| 947 | S | 29.6 | Very low | 29.1 | Very low | 85.75 Ų | 85.75 | 132.2 Ų | 132.2 | 60% | 0.6 | 74% | 0.735 | S | S | * | * | cis | 129.1 | 147.6 | 28.3 | -110.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 948 | D | 28.9 | Very low | 29 | Very low | 142.25 Ų | 142.25 | 131.2 Ų | 131.2 | 76% | 0.761 | 73% | 0.734 | S | S | * | * | 83.9 | 154.9 | 97.4 | -67.1 | -37.5 | 0 | 0 | 0 | 117.8 | |||||
| 949 | D | 28.6 | Very low | 28.8 | Very low | 148.25 Ų | 148.25 | 131.6 Ų | 131.6 | 79% | 0.793 | 74% | 0.736 | S | S | * | * | trans | 63.2 | 142.3 | 153.6 | -105.1 | -25.8 | 0 | 0 | 0 | 117.5 | ||||
| 950 | S | 29.8 | Very low | 28.7 | Very low | 101.25 Ų | 101.25 | 131.6 Ų | 131.6 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | -170.8 | 171.3 | 91 | 50.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 951 | T | 28.4 | Very low | 28.3 | Very low | 115.25 Ų | 115.25 | 136.1 Ų | 136.1 | 71% | 0.707 | 74% | 0.744 | S | S | * | * | trans | -138.8 | 154.7 | 170.1 | 53.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 952 | T | 31.1 | Very low | 28 | Very low | 121.25 Ų | 121.25 | 136.6 Ų | 136.6 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | trans | 80.3 | 158.8 | 151.3 | 68.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 953 | N | 28.1 | Very low | 28.2 | Very low | 128.5 Ų | 128.5 | 135.2 Ų | 135.2 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | cis | -164 | 151.7 | -34.8 | -117.5 | -14.4 | 0 | 0 | 0 | 111 | ||||
| 954 | F | 25.7 | Very low | 28.1 | Very low | 181.5 Ų | 181.5 | 136.9 Ų | 136.9 | 80% | 0.796 | 75% | 0.748 | S | S | * | * | trans | 49.4 | 145.8 | 152.3 | -75 | -108.7 | 0 | 0 | 0 | 119.1 | ||||
| 955 | S | 27.2 | Very low | 28.5 | Very low | 90.75 Ų | 90.75 | 137.1 Ų | 137.1 | 64% | 0.635 | 75% | 0.747 | S | S | * | * | cis | 177.9 | 151.2 | 37.6 | -114.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 956 | T | 27 | Very low | 28.5 | Very low | 124.25 Ų | 124.25 | 137.5 Ų | 137.5 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | 49.8 | 145.1 | 152.3 | 54 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 957 | Q | 28.4 | Very low | 28.3 | Very low | 176 Ų | 176 | 134.6 Ų | 134.6 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | -174.6 | 137 | 97.2 | -113.8 | 179.9 | 1.8 | 0 | 0 | 116.3 | |||||
| 958 | T | 27.1 | Very low | 28.2 | Very low | 120.25 Ų | 120.25 | 137.7 Ų | 137.7 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | 32 | 142.7 | 152.3 | 57.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 959 | S | 29.2 | Very low | 28.1 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | -161.5 | 153.7 | 82.8 | -121.5 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 960 | I | 26.2 | Very low | 28.1 | Very low | 145.5 Ų | 145.5 | 136.2 Ų | 136.2 | 75% | 0.746 | 76% | 0.756 | S | S | * | * | trans | -93.5 | 133.5 | 176.3 | -62.4 | 164.1 | 0 | 0 | 0 | 113.2 | V962 | I960-V962 HydrophobicContact CG2-CG2 3.86Š| ||
| 961 | K | 29.1 | Very low | 27.9 | Very low | 205.5 Ų | 205.5 | 136.5 Ų | 136.5 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | trans | -159.3 | 133.3 | 137.5 | -111.8 | 165.5 | -174.2 | 177.8 | 0 | 111.6 | ||||
| 962 | V | 24.9 | Very low | 28.2 | Very low | 121.25 Ų | 121.25 | 136.7 Ų | 136.7 | 74% | 0.735 | 76% | 0.761 | S | S | * | * | trans | -100.8 | 144.2 | 161 | 175.6 | 0 | 0 | 0 | 0 | 109.9 | I960 | I960-V962 HydrophobicContact CG2-CG2 3.86Š| ||
| 963 | I | 30.2 | Very low | 28.1 | Very low | 160.75 Ų | 160.75 | 136.3 Ų | 136.3 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | 174.7 | 141.6 | 148.1 | -87.3 | 154.4 | 0 | 0 | 0 | 109.5 | ||||
| 964 | N | 26 | Very low | 28.1 | Very low | 140.5 Ų | 140.5 | 137.4 Ų | 137.4 | 75% | 0.751 | 77% | 0.769 | S | S | * | * | trans | -126.8 | 168.5 | 177.9 | -122.7 | -1.4 | 0 | 0 | 0 | 110.6 | ||||
| 965 | P | 34.9 | Very low | 28.3 | Very low | 104.75 Ų | 104.75 | 138.2 Ų | 138.2 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | trans | -125.7 | 169.7 | 160.9 | 36.6 | -20.4 | 0 | 0 | 0 | 112.5 | ||||
| 966 | I | 29.1 | Very low | 28.3 | Very low | 158.5 Ų | 158.5 | 139.5 Ų | 139.5 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | 129.7 | 145.7 | 142.9 | -67 | 170.2 | 0 | 0 | 0 | 111.6 | ||||
| 967 | L | 24.5 | Very low | 28.2 | Very low | 139.5 Ų | 139.5 | 139.1 Ų | 139.1 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | -132.2 | 166.8 | -102.1 | -152.3 | 74.8 | 0 | 0 | 0 | 109.7 | |||||
| 968 | H | 28.7 | Very low | 28 | Very low | 150.75 Ų | 150.75 | 136.1 Ų | 136.1 | 70% | 0.698 | 78% | 0.78 | S | S | * | * | trans | 103 | 116.2 | 158.1 | -71.9 | -74.7 | 0 | 0 | 0 | 118.1 | ||||
| 969 | T | 25.3 | Very low | 27.9 | Very low | 116 Ų | 116 | 141 Ų | 141 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | 76.2 | 122.2 | 103.9 | 50.6 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 970 | T | 28.9 | Very low | 27.6 | Very low | 142.5 Ų | 142.5 | 141 Ų | 141 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -173.3 | 154.4 | 132.1 | 32.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 971 | S | 25.9 | Very low | 27.7 | Very low | 107.75 Ų | 107.75 | 140.7 Ų | 140.7 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | -85.5 | -179.7 | 177.6 | 56.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 972 | P | 34.9 | Very low | 27.6 | Very low | 118.5 Ų | 118.5 | 136 Ų | 136 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | cis | -132.1 | 165.2 | -6.1 | 38.7 | -24.7 | 0 | 0 | 0 | 115 | ||||
| 973 | S | 29.4 | Very low | 27.7 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -172.6 | 134.9 | 158.2 | 61.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 974 | D | 27.9 | Very low | 27.6 | Very low | 151.5 Ų | 151.5 | 135.4 Ų | 135.4 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -112.6 | 140.1 | 147.8 | -95.4 | -34 | 0 | 0 | 0 | 115 | ||||
| 975 | K | 30.2 | Very low | 27.5 | Very low | 199 Ų | 199 | 140 Ų | 140 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | trans | -119.9 | 115.1 | 160.4 | -75.1 | 173.2 | -176.9 | 171.9 | 0 | 112.8 | C977 | K975-C977 PolarHBondContact O-N 3.09Š| ||
| 976 | S | 26.7 | Very low | 27.2 | Very low | 117.75 Ų | 117.75 | 138.6 Ų | 138.6 | 82% | 0.823 | 78% | 0.783 | S | S | * | * | trans | -75.4 | 112 | 166.4 | 52.9 | 0 | 0 | 0 | 0 | 113.3 | S978 | S976-S978 PolarHBondContact O-N 3.15Š| ||
| 977 | C | 25.3 | Very low | 27.2 | Very low | 115.25 Ų | 115.25 | 138.1 Ų | 138.1 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | -100.7 | 100.8 | 167.4 | -105.1 | 0 | 0 | 0 | 0 | 109.7 | K975 W979 | K975-C977 PolarHBondContact O-N 3.09Å; C977-W979 PolarHBondContact O-N 3.27Å; C977-W979 VanDerWaalsContact O-N 3.1Å; C977-W979 PolarHBondContact SG-NE1 3.06Å | ||
| 978 | S | 23.8 | Very low | 27.7 | Very low | 113.25 Ų | 113.25 | 136.2 Ų | 136.2 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | -75.9 | 101.4 | -178.1 | 55.1 | 0 | 0 | 0 | 0 | 112.3 | S976 | S976-S978 PolarHBondContact O-N 3.15Š| ||
| 979 | W | 24.3 | Very low | 28.1 | Very low | 223.25 Ų | 223.25 | 132.5 Ų | 132.5 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | trans | -112.4 | 88.2 | 164.6 | -74.6 | 88 | 0 | 0 | 0 | 109.9 | C977 L981 | C977-W979 PolarHBondContact O-N 3.27Å; C977-W979 VanDerWaalsContact O-N 3.1Å; C977-W979 PolarHBondContact SG-NE1 3.06Å; W979-L981 VanDerWaalsContact C-N 3.26Å; W979-L981 HydrophobicContact CB-CD1 4.27Å; W979-L981 HydrophobicContact CE3-CD1 4.34Å; W979-L981 PolarHBondContact O-N 3.19Å; W979-L981 VanDerWaalsContact O-N 3.15Å | ||
| 980 | S | 24.3 | Very low | 29.3 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | -73.4 | 96.7 | 171.4 | 52.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 981 | L | 27.4 | Very low | 30.7 | Very low | 138.25 Ų | 138.25 | 131.2 Ų | 131.2 | 72% | 0.724 | 72% | 0.723 | S | S | * | * | trans | -75.2 | 142.1 | 165.1 | -89.5 | 78.8 | 0 | 0 | 0 | 109.9 | W979 A983 | W979-L981 VanDerWaalsContact C-N 3.26Å; W979-L981 HydrophobicContact CB-CD1 4.27Å; W979-L981 HydrophobicContact CE3-CD1 4.34Å; W979-L981 PolarHBondContact O-N 3.19Å; W979-L981 VanDerWaalsContact O-N 3.15Å; L981-A983 PolarHBondContact O-N 3.2Å | ||
| 982 | P | 27.1 | Very low | 32.7 | Very low | 107.75 Ų | 107.75 | 127.8 Ų | 127.8 | 70% | 0.7 | 70% | 0.696 | S | S | * | * | trans | -68.8 | 117.5 | 179.6 | -7.6 | 17.1 | 0 | 0 | 0 | 111.6 | Q984 | P982-Q984 HydrophobicContact CB-CB 4.35Å; P982-Q984 PolarHBondContact O-N 3.14Å | ||
| 983 | A | 27.8 | Very low | 34.1 | Very low | 102.5 Ų | 102.5 | 126.2 Ų | 126.2 | 85% | 0.847 | 69% | 0.686 | S | S | * | * | trans | -75.4 | 62.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L981 W985 | L981-A983 PolarHBondContact O-N 3.2Å; A983-W985 PolarHBondContact O-N 3.35Å | ||
| 984 | Q | 26.3 | Very low | 35.9 | Very low | 165.25 Ų | 165.25 | 125.2 Ų | 125.2 | 77% | 0.772 | 67% | 0.672 | S | S | * | * | trans | -125.4 | 40.9 | -178.5 | -127.4 | 177.3 | 6 | 0 | 0 | 112.3 | P982 A986 | P982-Q984 HydrophobicContact CB-CB 4.35Å; P982-Q984 PolarHBondContact O-N 3.14Å; Q984-A986 PolarHBondContact O-N 2.97Å | ||
| 985 | W | 25.5 | Very low | 37.9 | Very low | 237.5 Ų | 237.5 | 120.8 Ų | 120.8 | 90% | 0.9 | 65% | 0.648 | S | S | * | * | trans | -105.5 | 67.1 | 164.4 | -70.9 | 45.1 | 0 | 0 | 0 | 108.7 | A983 F987 | A983-W985 PolarHBondContact O-N 3.35Å; W985-F987 PolarHBondContact O-N 2.86Å | ||
| 986 | A | 27.2 | Very low | 40.3 | Very low | 75.75 Ų | 75.75 | 112.2 Ų | 112.2 | 63% | 0.626 | 61% | 0.611 | S | S | * | * | trans | -63.5 | 133.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q984 T988 | Q984-A986 PolarHBondContact O-N 2.97Å; A986-T988 VanDerWaalsContact C-N 3.26Å; A986-T988 HydrophobicContact CB-CG2 4.41Å; A986-T988 PolarHBondContact O-N 3Å; A986-T988 VanDerWaalsContact O-N 3.13Å | ||
| 987 | F | 29.5 | Very low | 42.7 | Very low | 148 Ų | 148 | 109.6 Ų | 109.6 | 65% | 0.649 | 59% | 0.591 | S | S | * | * | trans | -68 | 105.5 | 177.8 | -65.9 | -92.1 | 0 | 0 | 0 | 109.4 | F726 L727 W985 D989 F990 | F726-F987 HydrophobicContact CB-CE2 4.45Å; F726-F987 HydrophobicContact CB-CZ 4.07Å; F726-F987 HydrophobicContact CD2-CE2 4.36Å; F726-F987 HydrophobicContact CD2-CZ 4.43Å; F726-F987 HydrophobicContact CG-CE2 4.45Å; F726-F987 HydrophobicContact CG-CZ 4.47Å; L727-F987 HydrophobicContact CD1-CE1 4Å; L727-F987 HydrophobicContact CD1-CE2 4.19Å; L727-F987 HydrophobicContact CD1-CZ 3.58Å; L727-F987 HydrophobicContact CD2-CD1 3.94Å; L727-F987 HydrophobicContact CD2-CE1 3.52Å; L727-F987 HydrophobicContact CD2-CZ 4Å; L727-F987 HydrophobicContact CG-CE1 4.3Å; L727-F987 HydrophobicContact CG-CZ 4.37Å; W985-F987 PolarHBondContact O-N 2.86Å; F987-D989 PolarHBondContact O-N 3.41Å; F987-F990 HydrophobicContact CD1-CE2 4.32Å | ||
| 988 | T | 35 | Very low | 45.6 | Very low | 99 Ų | 99 | 104.4 Ų | 104.4 | 61% | 0.607 | 56% | 0.556 | S | S | * | * | trans | -85.3 | 120.5 | 168.5 | 52 | 0 | 0 | 0 | 0 | 109 | A986 F990 | A986-T988 VanDerWaalsContact C-N 3.26Å; A986-T988 HydrophobicContact CB-CG2 4.41Å; A986-T988 PolarHBondContact O-N 3Å; A986-T988 VanDerWaalsContact O-N 3.13Å; T988-F990 WeakPolarHBondContact O-CD2 3.3Å; T988-F990 PolarHBondContact O-N 3.14Å | ||
| 989 | D | 37.7 | Very low | 48.7 | Very low | 72.75 Ų | 72.75 | 101.5 Ų | 101.5 | 39% | 0.389 | 53% | 0.528 | S | S | . | . | trans | -29.5 | 111.1 | 172.4 | -76.3 | 1.8 | 0 | 0 | 0 | 112.6 | F987 R991 | F987-D989 PolarHBondContact O-N 3.41Å; D989-R991 HydrophobicContact CB-CG 4Å; D989-R991 PolarHBondContact O-N 3.04Å; D989-R991 IonicContact OD2-CZ 3.02Å; D989-R991 IonicContact OD2-NE 2.74Å; D989-R991 PolarHBondContact OD2-NE 3.14Å; D989-R991 VanDerWaalsContact OD2-NE 3.1Å; D989-R991 IonicContact OD2-NH2 3.08Å; D989-R991 PolarHBondContact OD2-NH2 3.03Å | ||
| 990 | F | 51.2 | Low | 51.7 | Low | 80.25 Ų | 80.25 | 97 Ų | 97 | 35% | 0.352 | 52% | 0.521 | S | S | . | . | trans | -79 | 71.7 | 169.7 | -79.2 | -86 | 0 | 0 | 0 | 110.3 | S724 S778 A781 I889 F987 T988 L995 | S724-F990 WeakPolarHBondContact OG-CZ 3.4Å; S778-F990 WeakPolarHBondContact CA-O 3.46Å; S778-F990 WeakPolarHBondContact CB-O 3.36Å; S778-F990 PolarHBondContact OG-O 3.08Å; A781-F990 HydrophobicContact CB-CB 3.58Å; A781-F990 HydrophobicContact CB-CD2 3.99Å; A781-F990 HydrophobicContact CB-CG 4.05Å; I889-F990 HydrophobicContact CD1-CD1 4.37Å; I889-F990 HydrophobicContact CD1-CE1 4.11Å; F987-F990 HydrophobicContact CD1-CE2 4.32Å; T988-F990 WeakPolarHBondContact O-CD2 3.3Å; T988-F990 PolarHBondContact O-N 3.14Å; F990-L995 HydrophobicContact CB-CD1 4.27Å | ||
| 991 | R | 58.1 | Low | 54.8 | Low | 152.5 Ų | 152.5 | 92.3 Ų | 92.3 | 58% | 0.575 | 49% | 0.487 | S | S | * | . | trans | -74 | 147.3 | 173.6 | -57.8 | -175.9 | -178.6 | -144.9 | -1.8 | 109.1 | D989 P993 D994 L995 | D989-R991 HydrophobicContact CB-CG 4Å; D989-R991 PolarHBondContact O-N 3.04Å; D989-R991 IonicContact OD2-CZ 3.02Å; D989-R991 IonicContact OD2-NE 2.74Å; D989-R991 PolarHBondContact OD2-NE 3.14Å; D989-R991 VanDerWaalsContact OD2-NE 3.1Å; D989-R991 IonicContact OD2-NH2 3.08Å; D989-R991 PolarHBondContact OD2-NH2 3.03Å; R991-P993 VanDerWaalsContact C-N 3.28Å; R991-P993 VanDerWaalsContact O-N 3.12Å; R991-D994 WeakPolarHBondContact CA-OD2 3.45Å; R991-D994 WeakPolarHBondContact CB-OD2 3.38Å; R991-D994 PolarHBondContact N-OD2 2.71Å; R991-D994 WeakPolarHBondContact O-CB 3.4Å; R991-D994 PolarHBondContact O-N 3.23Å; R991-L995 PolarHBondContact O-N 3.22Å | ||
| 992 | L | 66.8 | Low | 57.9 | Low | 36.25 Ų | 36.25 | 86.4 Ų | 86.4 | 19% | 0.19 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -51.6 | -35.8 | -177.2 | -170.3 | 59.4 | 0 | 0 | 0 | 114.7 | A774 E775 S778 D994 L995 L996 Y999 | A774-L992 HydrophobicContact CB-CD1 3.86Å; E775-L992 HydrophobicContact CG-CD1 4.48Å; E775-L992 HydrophobicContact CG-CD2 4.13Å; S778-L992 PolarHBondContact OG-N 2.95Å; S778-L992 VanDerWaalsContact OG-N 3.11Å; L992-D994 VanDerWaalsContact C-N 3.32Å; L992-D994 PolarHBondContact O-N 2.9Å; L992-L995 PolarHBondContact O-N 3.26Å; L992-L996 PolarHBondContact O-N 3.29Å; L992-Y999 HydrophobicContact CD1-CD2 4.09Å; L992-Y999 HydrophobicContact CD1-CE2 4.41Å; L992-Y999 HydrophobicContact CD2-CD1 4.06Å; L992-Y999 HydrophobicContact CD2-CD2 3.79Å; L992-Y999 HydrophobicContact CD2-CE1 3.98Å; L992-Y999 HydrophobicContact CD2-CE2 3.69Å; L992-Y999 HydrophobicContact CD2-CG 4Å; L992-Y999 HydrophobicContact CG-CD1 4.43Å; L992-Y999 HydrophobicContact CG-CD2 4Å; L992-Y999 HydrophobicContact CG-CE2 4.36Å; L992-Y999 HydrophobicContact CG-CG 4.15Å |
| 993 | P | 64.6 | Low | 60.8 | Low | 84.5 Ų | 84.5 | 82.2 Ų | 82.2 | 55% | 0.549 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.9 | -29.8 | 174.4 | -23.5 | 36.1 | 0 | 0 | 0 | 114.7 | R991 L996 P997 | R991-P993 VanDerWaalsContact C-N 3.28Å; R991-P993 VanDerWaalsContact O-N 3.12Å; P993-L996 CarbonylContact O-C 3.48Å; P993-P997 VanDerWaalsContact O-CA 3.26Å; P993-P997 WeakPolarHBondContact O-CA 3.3Å; P993-P997 VanDerWaalsContact O-CD 3.24Å; P993-P997 WeakPolarHBondContact O-CD 3.42Å; P993-P997 VanDerWaalsContact O-CG 3.26Å; P993-P997 WeakPolarHBondContact O-CG 3.36Å; P993-P997 VanDerWaalsContact O-N 3.14Å |
| 994 | D | 66.5 | Low | 63.7 | Low | 91.5 Ų | 91.5 | 80.3 Ų | 80.3 | 49% | 0.489 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -80.3 | -30.6 | -179.1 | -55.1 | -66 | 0 | 0 | 0 | 111.6 | R991 L992 Q1217 | R991-D994 WeakPolarHBondContact CA-OD2 3.45Å; R991-D994 WeakPolarHBondContact CB-OD2 3.38Å; R991-D994 PolarHBondContact N-OD2 2.71Å; R991-D994 WeakPolarHBondContact O-CB 3.4Å; R991-D994 PolarHBondContact O-N 3.23Å; L992-D994 VanDerWaalsContact C-N 3.32Å; L992-D994 PolarHBondContact O-N 2.9Å; D994-Q1217 PolarHBondContact OD1-NE2 2.89Å |
| 995 | L | 69.9 | Low | 66.8 | Low | 60 Ų | 60 | 72.9 Ų | 72.9 | 31% | 0.314 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -79.4 | -36.6 | 174.7 | -154.4 | 81.9 | 0 | 0 | 0 | 112.6 | A774 W777 F990 R991 L992 | A774-L995 HydrophobicContact CB-CD2 3.96Å; A774-L995 HydrophobicContact CB-CG 4.36Å; A774-L995 WeakPolarHBondContact O-CD2 3.27Å; W777-L995 HydrophobicContact CB-CD2 3.61Å; W777-L995 HydrophobicContact CG-CD2 4.45Å; F990-L995 HydrophobicContact CB-CD1 4.27Å; R991-L995 PolarHBondContact O-N 3.22Å; L992-L995 PolarHBondContact O-N 3.26Å |
| 996 | L | 80.4 | Confident | 69.8 | Low | 17.25 Ų | 17.25 | 61.8 Ų | 61.8 | 9% | 0.09 | 33% | 0.329 | C | S | . | . | trans | -145.8 | 83.4 | 179.3 | -169 | 63.9 | 0 | 0 | 0 | 111.3 | A774 L992 P993 V998 Y999 Y1002 | A774-L996 HydrophobicContact CB-CB 4.29Å; A774-L996 HydrophobicContact CB-CD2 4.28Å; L992-L996 PolarHBondContact O-N 3.29Å; P993-L996 CarbonylContact O-C 3.48Å; L996-V998 HydrophobicContact CD1-CG2 3.64Å; L996-V998 HydrophobicContact CG-CG2 4.06Å; L996-V998 PolarHBondContact O-N 3.02Å; L996-Y999 HydrophobicContact CD2-CD2 4.23Å; L996-Y999 VanDerWaalsContact O-CB 3.27Å; L996-Y999 WeakPolarHBondContact O-CB 3.32Å; L996-Y999 PolarHBondContact O-N 3.39Å; L996-Y1002 HydrophobicContact CD1-CD2 4.18Å; L996-Y1002 HydrophobicContact CD1-CE2 4.05Å; L996-Y1002 HydrophobicContact CD2-CD2 4.19Å; L996-Y1002 HydrophobicContact CG-CD2 4.2Å; L996-Y1002 HydrophobicContact CG-CE2 4.47Å | ||
| 997 | P | 78.8 | Confident | 72.6 | Confident | 63 Ų | 63 | 61.8 Ų | 61.8 | 41% | 0.409 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -12.9 | -176.4 | -25.8 | 32.6 | 0 | 0 | 0 | 116.1 | P993 H1033 | P993-P997 VanDerWaalsContact O-CA 3.26Å; P993-P997 WeakPolarHBondContact O-CA 3.3Å; P993-P997 VanDerWaalsContact O-CD 3.24Å; P993-P997 WeakPolarHBondContact O-CD 3.42Å; P993-P997 VanDerWaalsContact O-CG 3.26Å; P993-P997 WeakPolarHBondContact O-CG 3.36Å; P993-P997 VanDerWaalsContact O-N 3.14Å; P997-H1033 HydrophobicContact CB-CB 4.28Å |
| 998 | V | 84.6 | Confident | 75.2 | Confident | 7 Ų | 7 | 57.4 Ų | 57.4 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 5.6 | -176.8 | -88.9 | 0 | 0 | 0 | 0 | 112.6 | L996 N1000 V1001 Y1002 I1031 H1033 T1035 | L996-V998 HydrophobicContact CD1-CG2 3.64Å; L996-V998 HydrophobicContact CG-CG2 4.06Å; L996-V998 PolarHBondContact O-N 3.02Å; V998-N1000 VanDerWaalsContact C-N 3.32Å; V998-N1000 PolarHBondContact O-N 3.15Å; V998-N1000 VanDerWaalsContact O-N 3.13Å; V998-V1001 HydrophobicContact CG1-CB 4.13Å; V998-V1001 HydrophobicContact CG1-CG2 4.23Å; V998-V1001 PolarHBondContact O-N 3.25Å; V998-Y1002 HydrophobicContact CB-CD1 4.13Å; V998-Y1002 HydrophobicContact CB-CE1 3.7Å; V998-Y1002 HydrophobicContact CB-CE2 4.34Å; V998-Y1002 HydrophobicContact CG1-CD1 3.89Å; V998-Y1002 HydrophobicContact CG1-CE1 3.36Å; V998-Y1002 HydrophobicContact CG2-CD1 4.19Å; V998-Y1002 HydrophobicContact CG2-CD2 3.96Å; V998-Y1002 HydrophobicContact CG2-CE1 3.85Å; V998-Y1002 HydrophobicContact CG2-CE2 3.45Å; V998-Y1002 VanDerWaalsContact CG2-CE2 3.45Å; V998-Y1002 HydrophobicContact CG2-CG 4.31Å; V998-Y1002 WeakPolarHBondContact CG2-OH 3.44Å; V998-Y1002 PolarHBondContact O-N 3.14Å; V998-Y1002 VanDerWaalsContact O-N 3.14Å; V998-I1031 HydrophobicContact CG1-CB 4.41Å; V998-I1031 HydrophobicContact CG1-CD1 4.28Å; V998-I1031 HydrophobicContact CG1-CG1 3.9Å; V998-I1031 HydrophobicContact CG1-CG2 4.09Å; V998-H1033 HydrophobicContact CG1-CB 3.93Å; V998-H1033 HydrophobicContact CG2-CB 4.29Å; V998-T1035 HydrophobicContact CG1-CG2 4.19Å; V998-T1035 HydrophobicContact CG2-CG2 3.75Å |
| 999 | Y | 88.9 | Confident | 77.3 | Confident | 51.5 Ų | 51.5 | 54 Ų | 54 | 20% | 0.202 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -43.7 | -50.4 | -174.8 | 171.5 | -90.4 | 0 | 0 | 0 | 113.7 | C771 E775 L992 L996 V1001 Y1002 A1003 | C771-Y999 HydrophobicContact CB-CD2 3.89Å; C771-Y999 HydrophobicContact CB-CE2 3.58Å; E775-Y999 HydrophobicContact CG-CE2 3.91Å; E775-Y999 WeakPolarHBondContact OE1-CE2 3.43Å; E775-Y999 PolarHBondContact OE1-OH 3.06Å; L992-Y999 HydrophobicContact CD1-CD2 4.09Å; L992-Y999 HydrophobicContact CD1-CE2 4.41Å; L992-Y999 HydrophobicContact CD2-CD1 4.06Å; L992-Y999 HydrophobicContact CD2-CD2 3.79Å; L992-Y999 HydrophobicContact CD2-CE1 3.98Å; L992-Y999 HydrophobicContact CD2-CE2 3.69Å; L992-Y999 HydrophobicContact CD2-CG 4Å; L992-Y999 HydrophobicContact CG-CD1 4.43Å; L992-Y999 HydrophobicContact CG-CD2 4Å; L992-Y999 HydrophobicContact CG-CE2 4.36Å; L992-Y999 HydrophobicContact CG-CG 4.15Å; L996-Y999 HydrophobicContact CD2-CD2 4.23Å; L996-Y999 VanDerWaalsContact O-CB 3.27Å; L996-Y999 WeakPolarHBondContact O-CB 3.32Å; L996-Y999 PolarHBondContact O-N 3.39Å; Y999-V1001 VanDerWaalsContact C-N 3.3Å; Y999-V1001 PolarHBondContact O-N 2.99Å; Y999-Y1002 PolarHBondContact O-N 3.11Å; Y999-Y1002 VanDerWaalsContact O-N 3.11Å; Y999-A1003 WeakPolarHBondContact O-CB 3.45Å; Y999-A1003 PolarHBondContact O-N 3.11Å |
| 1000 | N | 88.9 | Confident | 79 | Confident | 128.5 Ų | 128.5 | 57.3 Ų | 57.3 | 69% | 0.687 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -57.7 | -40.7 | -177.1 | -69.1 | -19.9 | 0 | 0 | 0 | 112.7 | V998 E1004 | V998-N1000 VanDerWaalsContact C-N 3.32Å; V998-N1000 PolarHBondContact O-N 3.15Å; V998-N1000 VanDerWaalsContact O-N 3.13Å; N1000-E1004 WeakPolarHBondContact O-CB 3.3Å; N1000-E1004 PolarHBondContact O-N 2.97Å; N1000-E1004 VanDerWaalsContact O-N 3.13Å |
| 1001 | V | 88.5 | Confident | 79.8 | Confident | 18.6 Ų | 18.6 | 56.7 Ų | 56.7 | 11% | 0.113 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -76.1 | -33.3 | 179.3 | -170.1 | 0 | 0 | 0 | 0 | 110.8 | V998 Y999 E1004 I1005 L1027 K1030 I1031 | V998-V1001 HydrophobicContact CG1-CB 4.13Å; V998-V1001 HydrophobicContact CG1-CG2 4.23Å; V998-V1001 PolarHBondContact O-N 3.25Å; Y999-V1001 VanDerWaalsContact C-N 3.3Å; Y999-V1001 PolarHBondContact O-N 2.99Å; V1001-E1004 PolarHBondContact O-N 3.22Å; V1001-I1005 HydrophobicContact CG1-CD1 4.08Å; V1001-I1005 HydrophobicContact CG1-CG1 4.43Å; V1001-I1005 WeakPolarHBondContact O-CB 3.34Å; V1001-I1005 WeakPolarHBondContact O-CD1 3.45Å; V1001-I1005 VanDerWaalsContact O-CG1 3.24Å; V1001-I1005 WeakPolarHBondContact O-CG1 3.33Å; V1001-I1005 PolarHBondContact O-N 3.08Å; V1001-L1027 WeakPolarHBondContact CG1-O 3.35Å; V1001-K1030 HydrophobicContact CG1-CB 4.15Å; V1001-K1030 HydrophobicContact CG2-CB 3.93Å; V1001-I1031 HydrophobicContact CB-CG1 4.32Å; V1001-I1031 HydrophobicContact CG1-CD1 4.32Å; V1001-I1031 HydrophobicContact CG1-CG1 3.79Å; V1001-I1031 HydrophobicContact CG2-CG1 4.36Å |
| 1002 | Y | 91.7 | Very high | 80 | Confident | 14.2 Ų | 14.2 | 50.7 Ų | 50.7 | 6% | 0.056 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.4 | -36.4 | 177.7 | -69.2 | 2.2 | 0 | 0 | 0 | 111.6 | E745 F749 F767 C771 L996 V998 Y999 I1005 A1006 I1031 N1038 | E745-Y1002 WeakPolarHBondContact OE1-CE2 3.35Å; E745-Y1002 PolarHBondContact OE1-OH 3.17Å; F749-Y1002 HydrophobicContact CE2-CE1 4.33Å; F749-Y1002 AromaticContact CE2-CZ 3.88Å; F749-Y1002 VanDerWaalsContact CE2-OH 3.24Å; F749-Y1002 WeakPolarHBondContact CE2-OH 3.24Å; F749-Y1002 AromaticContact CZ-CE1 3.65Å; F749-Y1002 HydrophobicContact CZ-CE1 3.65Å; F749-Y1002 AromaticContact CZ-CZ 3.67Å; F749-Y1002 VanDerWaalsContact CZ-OH 3.26Å; F749-Y1002 WeakPolarHBondContact CZ-OH 3.31Å; F767-Y1002 WeakPolarHBondContact CB-O 3.3Å; F767-Y1002 AromaticContact CD1-CD1 3.99Å; F767-Y1002 HydrophobicContact CD1-CD1 4Å; F767-Y1002 AromaticContact CD1-CD2 3.61Å; F767-Y1002 HydrophobicContact CD1-CD2 3.61Å; F767-Y1002 HydrophobicContact CD1-CE1 4.38Å; F767-Y1002 AromaticContact CD1-CE2 3.97Å; F767-Y1002 HydrophobicContact CD1-CE2 4Å; F767-Y1002 AromaticContact CD1-CG 3.61Å; F767-Y1002 HydrophobicContact CD1-CG 3.61Å; F767-Y1002 HydrophobicContact CE1-CD1 4.17Å; F767-Y1002 HydrophobicContact CE1-CD2 4.08Å; F767-Y1002 HydrophobicContact CE1-CE1 4.12Å; F767-Y1002 AromaticContact CE1-CE2 3.99Å; F767-Y1002 HydrophobicContact CE1-CE2 3.99Å; F767-Y1002 HydrophobicContact CE1-CG 4.18Å; F767-Y1002 HydrophobicContact CG-CG 4.49Å; C771-Y1002 VanDerWaalsContact SG-CB 3.57Å; L996-Y1002 HydrophobicContact CD1-CD2 4.18Å; L996-Y1002 HydrophobicContact CD1-CE2 4.05Å; L996-Y1002 HydrophobicContact CD2-CD2 4.19Å; L996-Y1002 HydrophobicContact CG-CD2 4.2Å; L996-Y1002 HydrophobicContact CG-CE2 4.47Å; V998-Y1002 HydrophobicContact CB-CD1 4.13Å; V998-Y1002 HydrophobicContact CB-CE1 3.7Å; V998-Y1002 HydrophobicContact CB-CE2 4.34Å; V998-Y1002 HydrophobicContact CG1-CD1 3.89Å; V998-Y1002 HydrophobicContact CG1-CE1 3.36Å; V998-Y1002 HydrophobicContact CG2-CD1 4.19Å; V998-Y1002 HydrophobicContact CG2-CD2 3.96Å; V998-Y1002 HydrophobicContact CG2-CE1 3.85Å; V998-Y1002 HydrophobicContact CG2-CE2 3.45Å; V998-Y1002 VanDerWaalsContact CG2-CE2 3.45Å; V998-Y1002 HydrophobicContact CG2-CG 4.31Å; V998-Y1002 WeakPolarHBondContact CG2-OH 3.44Å; V998-Y1002 PolarHBondContact O-N 3.14Å; V998-Y1002 VanDerWaalsContact O-N 3.14Å; Y999-Y1002 PolarHBondContact O-N 3.11Å; Y999-Y1002 VanDerWaalsContact O-N 3.11Å; Y1002-I1005 HydrophobicContact CD1-CD1 4.38Å; Y1002-I1005 PolarHBondContact O-N 3.04Å; Y1002-A1006 WeakPolarHBondContact O-CB 3.35Å; Y1002-A1006 PolarHBondContact O-N 3.25Å; Y1002-A1006 VanDerWaalsContact O-N 3.1Å; Y1002-I1031 HydrophobicContact CE1-CD1 4.12Å; Y1002-N1038 PolarHBondContact OH-ND2 3.33Å; Y1002-N1038 PolarHBondContact OH-OD1 3.25Å |
| 1003 | A | 89.2 | Confident | 79.6 | Confident | 21.2 Ų | 21.2 | 55.1 Ų | 55.1 | 18% | 0.175 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y999 I1005 A1006 D1007 | Y999-A1003 WeakPolarHBondContact O-CB 3.45Å; Y999-A1003 PolarHBondContact O-N 3.11Å; A1003-I1005 PolarHBondContact O-N 3.01Å; A1003-A1006 CarbonylContact O-C 3.38Å; A1003-A1006 WeakPolarHBondContact O-CB 3.46Å; A1003-A1006 PolarHBondContact O-N 3.01Å; A1003-A1006 VanDerWaalsContact O-N 3.15Å; A1003-D1007 WeakPolarHBondContact O-CB 3.5Å; A1003-D1007 PolarHBondContact O-N 2.96Å |
| 1004 | E | 89.2 | Confident | 79.3 | Confident | 60.8 Ų | 60.8 | 57.2 Ų | 57.2 | 28% | 0.284 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 178 | -166.9 | -178.1 | 177 | 0 | 0 | 112.6 | N1000 V1001 A1006 D1007 H1008 L1027 K1030 | N1000-E1004 WeakPolarHBondContact O-CB 3.3Å; N1000-E1004 PolarHBondContact O-N 2.97Å; N1000-E1004 VanDerWaalsContact O-N 3.13Å; V1001-E1004 PolarHBondContact O-N 3.22Å; E1004-A1006 VanDerWaalsContact C-N 3.3Å; E1004-A1006 PolarHBondContact O-N 3.44Å; E1004-D1007 WeakPolarHBondContact O-CB 3.32Å; E1004-D1007 PolarHBondContact O-N 3.13Å; E1004-H1008 PolarHBondContact O-N 3.18Å; E1004-H1008 VanDerWaalsContact O-N 3.17Å; E1004-H1008 PolarHBondContact O-ND1 3.18Å; E1004-H1008 IonicContact OE1-CE1 3.26Å; E1004-H1008 PolarHBondContact OE1-CE1 3.27Å; E1004-L1027 HydrophobicContact CB-CD2 4.36Å; E1004-L1027 VanDerWaalsContact CD-CD2 3.43Å; E1004-L1027 HydrophobicContact CG-CD2 3.64Å; E1004-L1027 VanDerWaalsContact OE1-CD2 3.28Å; E1004-L1027 WeakPolarHBondContact OE1-CD2 3.36Å; E1004-L1027 WeakPolarHBondContact OE2-CD2 3.43Å; E1004-K1030 IonicContact OE1-NZ 3.35Å; E1004-K1030 PolarHBondContact OE1-NZ 3.29Å; E1004-K1030 WeakPolarHBondContact OE2-CD 3.37Å; E1004-K1030 IonicContact OE2-NZ 2.95Å; E1004-K1030 PolarHBondContact OE2-NZ 3.16Å |
| 1005 | I | 90.2 | Very high | 79.4 | Confident | 10.6 Ų | 10.6 | 55.3 Ų | 55.3 | 5% | 0.054 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 172.6 | -72 | 165.2 | 0 | 0 | 0 | 110.9 | M764 F767 V1001 Y1002 A1003 D1007 H1008 S1009 L1027 L1028 I1031 | M764-I1005 HydrophobicContact CB-CG2 4.23Å; M764-I1005 HydrophobicContact CE-CG2 4.46Å; M764-I1005 VanDerWaalsContact CE-O 3.24Å; M764-I1005 WeakPolarHBondContact CE-O 3.34Å; M764-I1005 HydrophobicContact CG-CG2 4.05Å; F767-I1005 HydrophobicContact CD2-CG2 3.78Å; F767-I1005 HydrophobicContact CE2-CG2 4.24Å; F767-I1005 HydrophobicContact CG-CG2 4.3Å; V1001-I1005 HydrophobicContact CG1-CD1 4.08Å; V1001-I1005 HydrophobicContact CG1-CG1 4.43Å; V1001-I1005 WeakPolarHBondContact O-CB 3.34Å; V1001-I1005 WeakPolarHBondContact O-CD1 3.45Å; V1001-I1005 VanDerWaalsContact O-CG1 3.24Å; V1001-I1005 WeakPolarHBondContact O-CG1 3.33Å; V1001-I1005 PolarHBondContact O-N 3.08Å; Y1002-I1005 HydrophobicContact CD1-CD1 4.38Å; Y1002-I1005 PolarHBondContact O-N 3.04Å; A1003-I1005 PolarHBondContact O-N 3.01Å; I1005-D1007 VanDerWaalsContact C-N 3.29Å; I1005-D1007 PolarHBondContact O-N 3.17Å; I1005-H1008 PolarHBondContact O-N 2.93Å; I1005-S1009 WeakPolarHBondContact O-CB 3.45Å; I1005-S1009 PolarHBondContact O-N 3.19Å; I1005-S1009 PolarHBondContact O-OG 2.88Å; I1005-L1027 HydrophobicContact CB-CD1 4.42Å; I1005-L1027 HydrophobicContact CD1-CB 4.41Å; I1005-L1027 HydrophobicContact CG1-CB 3.87Å; I1005-L1027 HydrophobicContact CG1-CD1 3.82Å; I1005-L1027 HydrophobicContact CG1-CG 4.39Å; I1005-L1028 HydrophobicContact CD1-CD2 4.43Å; I1005-I1031 HydrophobicContact CD1-CD1 4.47Å |
| 1006 | A | 89.3 | Confident | 79.8 | Confident | 5.6 Ų | 5.6 | 54.8 Ų | 54.8 | 5% | 0.046 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -71.1 | -29.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113.5 | M764 F767 R768 Y1002 A1003 E1004 S1009 R1010 | M764-A1006 VanDerWaalsContact O-CA 3.26Å; M764-A1006 WeakPolarHBondContact O-CA 3.4Å; M764-A1006 VanDerWaalsContact O-CB 3.29Å; M764-A1006 WeakPolarHBondContact O-CB 3.3Å; F767-A1006 HydrophobicContact CB-CB 4.25Å; R768-A1006 HydrophobicContact CB-CB 3.56Å; Y1002-A1006 WeakPolarHBondContact O-CB 3.35Å; Y1002-A1006 PolarHBondContact O-N 3.25Å; Y1002-A1006 VanDerWaalsContact O-N 3.1Å; A1003-A1006 CarbonylContact O-C 3.38Å; A1003-A1006 WeakPolarHBondContact O-CB 3.46Å; A1003-A1006 PolarHBondContact O-N 3.01Å; A1003-A1006 VanDerWaalsContact O-N 3.15Å; E1004-A1006 VanDerWaalsContact C-N 3.3Å; E1004-A1006 PolarHBondContact O-N 3.44Å; A1006-S1009 VanDerWaalsContact O-CB 3.29Å; A1006-S1009 WeakPolarHBondContact O-CB 3.44Å; A1006-S1009 PolarHBondContact O-N 3.25Å; A1006-S1009 VanDerWaalsContact O-N 3.13Å; A1006-S1009 PolarHBondContact O-OG 3.12Å; A1006-R1010 PolarHBondContact O-NE 2.88Å; A1006-R1010 PolarHBondContact O-NH2 3.24Å |
| 1007 | D | 86.2 | Confident | 79.9 | Confident | 75.4 Ų | 75.4 | 59.1 Ų | 59.1 | 40% | 0.403 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -76.1 | -38.8 | 175.2 | -87.3 | -9.4 | 0 | 0 | 0 | 112.2 | R768 A1003 E1004 I1005 S1009 R1010 S1011 Q1725 | R768-D1007 IonicContact CZ-OD1 2.84Å; R768-D1007 IonicContact NE-OD1 3.3Å; R768-D1007 IonicContact NH2-OD1 3.16Å; R768-D1007 PolarHBondContact NH2-OD1 3.17Å; R768-D1007 IonicContact NH2-OD2 3.48Å; R768-D1007 PolarHBondContact NH2-OD2 3.19Å; A1003-D1007 WeakPolarHBondContact O-CB 3.5Å; A1003-D1007 PolarHBondContact O-N 2.96Å; E1004-D1007 WeakPolarHBondContact O-CB 3.32Å; E1004-D1007 PolarHBondContact O-N 3.13Å; I1005-D1007 VanDerWaalsContact C-N 3.29Å; I1005-D1007 PolarHBondContact O-N 3.17Å; D1007-S1009 PolarHBondContact O-N 3.2Å; D1007-S1009 VanDerWaalsContact O-N 3.16Å; D1007-R1010 PolarHBondContact O-N 3.08Å; D1007-R1010 IonicContact OD1-CZ 3.37Å; D1007-R1010 VanDerWaalsContact OD1-CZ 3.23Å; D1007-R1010 IonicContact OD1-NE 3.51Å; D1007-R1010 PolarHBondContact OD1-NE 3.43Å; D1007-R1010 IonicContact OD1-NH1 3.42Å; D1007-R1010 PolarHBondContact OD1-NH1 2.76Å; D1007-R1010 IonicContact OD1-NH2 3.04Å; D1007-R1010 PolarHBondContact OD1-NH2 3.29Å; D1007-S1011 PolarHBondContact O-N 2.93Å; D1007-S1011 VanDerWaalsContact O-N 3.13Å; D1007-Q1725 PolarHBondContact O-NE2 3.03Å; D1007-Q1725 VanDerWaalsContact O-NE2 3.11Å; D1007-Q1725 PolarHBondContact OD1-NE2 3.15Å |
| 1008 | H | 83.1 | Confident | 80.2 | Confident | 55 Ų | 55 | 59.6 Ų | 59.6 | 26% | 0.255 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.3 | -29.2 | 171.1 | -78.4 | 79.6 | 0 | 0 | 0 | 112.4 | M764 E1004 I1005 R1010 S1011 I1012 L1027 | M764-H1008 HydrophobicContact CE-CB 3.72Å; E1004-H1008 PolarHBondContact O-N 3.18Å; E1004-H1008 VanDerWaalsContact O-N 3.17Å; E1004-H1008 PolarHBondContact O-ND1 3.18Å; E1004-H1008 IonicContact OE1-CE1 3.26Å; E1004-H1008 PolarHBondContact OE1-CE1 3.27Å; I1005-H1008 PolarHBondContact O-N 2.93Å; H1008-R1010 PolarHBondContact O-N 3.15Å; H1008-R1010 VanDerWaalsContact O-N 3.09Å; H1008-S1011 WeakPolarHBondContact O-CB 3.47Å; H1008-S1011 PolarHBondContact O-N 3.13Å; H1008-S1011 VanDerWaalsContact O-N 3.09Å; H1008-I1012 HydrophobicContact CB-CD1 4.38Å; H1008-I1012 VanDerWaalsContact O-CD1 3.24Å; H1008-I1012 WeakPolarHBondContact O-CD1 3.34Å; H1008-I1012 VanDerWaalsContact O-CG1 3.26Å; H1008-I1012 WeakPolarHBondContact O-CG1 3.36Å; H1008-I1012 PolarHBondContact O-N 3.47Å; H1008-L1027 HydrophobicContact CB-CD1 4.24Å |
| 1009 | S | 80.2 | Confident | 80.2 | Confident | 28 Ų | 28 | 63.9 Ų | 63.9 | 20% | 0.196 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.1 | -16.9 | 176.6 | 98.9 | 0 | 0 | 0 | 0 | 114.5 | L761 I1005 A1006 D1007 | L761-S1009 WeakPolarHBondContact CD2-O 3.17Å; I1005-S1009 WeakPolarHBondContact O-CB 3.45Å; I1005-S1009 PolarHBondContact O-N 3.19Å; I1005-S1009 PolarHBondContact O-OG 2.88Å; A1006-S1009 VanDerWaalsContact O-CB 3.29Å; A1006-S1009 WeakPolarHBondContact O-CB 3.44Å; A1006-S1009 PolarHBondContact O-N 3.25Å; A1006-S1009 VanDerWaalsContact O-N 3.13Å; A1006-S1009 PolarHBondContact O-OG 3.12Å; D1007-S1009 PolarHBondContact O-N 3.2Å; D1007-S1009 VanDerWaalsContact O-N 3.16Å |
| 1010 | R | 73.4 | Confident | 80.2 | Confident | 141.6 Ų | 141.6 | 62.1 Ų | 62.1 | 53% | 0.534 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -97.4 | -18.8 | 178.6 | -65.3 | 173.6 | -127.3 | 167.3 | 4.5 | 113.4 | C894 A1006 D1007 H1008 I1012 Q1725 | C894-R1010 WeakPolarHBondContact O-CD 3.34Å; C894-R1010 PolarHBondContact O-NE 3.08Å; C894-R1010 PolarHBondContact O-NH1 3.46Å; C894-R1010 VanDerWaalsContact O-NH1 3.12Å; A1006-R1010 PolarHBondContact O-NE 2.88Å; A1006-R1010 PolarHBondContact O-NH2 3.24Å; D1007-R1010 PolarHBondContact O-N 3.08Å; D1007-R1010 IonicContact OD1-CZ 3.37Å; D1007-R1010 VanDerWaalsContact OD1-CZ 3.23Å; D1007-R1010 IonicContact OD1-NE 3.51Å; D1007-R1010 PolarHBondContact OD1-NE 3.43Å; D1007-R1010 IonicContact OD1-NH1 3.42Å; D1007-R1010 PolarHBondContact OD1-NH1 2.76Å; D1007-R1010 IonicContact OD1-NH2 3.04Å; D1007-R1010 PolarHBondContact OD1-NH2 3.29Å; H1008-R1010 PolarHBondContact O-N 3.15Å; H1008-R1010 VanDerWaalsContact O-N 3.09Å; R1010-I1012 VanDerWaalsContact C-N 3.28Å; R1010-I1012 PolarHBondContact O-N 2.92Å; R1010-Q1725 VanDerWaalsContact CB-CD 3.46Å; R1010-Q1725 HydrophobicContact CB-CG 4.09Å; R1010-Q1725 VanDerWaalsContact CD-OE1 3.27Å; R1010-Q1725 VanDerWaalsContact NE-OE1 3.14Å |
| 1011 | S | 67.4 | Low | 80.2 | Confident | 67.2 Ų | 67.2 | 56.9 Ų | 56.9 | 47% | 0.47 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -85.2 | -7.3 | -172.7 | -163.8 | 0 | 0 | 0 | 0 | 114.5 | D1007 H1008 V1013 T1014 G1724 | D1007-S1011 PolarHBondContact O-N 2.93Å; D1007-S1011 VanDerWaalsContact O-N 3.13Å; H1008-S1011 WeakPolarHBondContact O-CB 3.47Å; H1008-S1011 PolarHBondContact O-N 3.13Å; H1008-S1011 VanDerWaalsContact O-N 3.09Å; S1011-V1013 VanDerWaalsContact C-N 3.31Å; S1011-V1013 PolarHBondContact O-N 3.17Å; S1011-T1014 PolarHBondContact O-OG1 3.01Å; S1011-G1724 WeakPolarHBondContact CB-O 3.18Å; S1011-G1724 PolarHBondContact OG-O 3.42Å |
| 1012 | I | 62.4 | Low | 80.3 | Confident | 28 Ų | 28 | 62.6 Ų | 62.6 | 14% | 0.144 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -75.4 | -1.8 | -165.3 | -105.3 | 145.9 | 0 | 0 | 0 | 114.4 | L757 L761 M764 H1008 R1010 T1014 T1015 L1020 | L757-I1012 HydrophobicContact CD1-CD1 3.66Å; L757-I1012 HydrophobicContact CD1-CG1 4.08Å; L757-I1012 HydrophobicContact CD2-CD1 4.27Å; L757-I1012 HydrophobicContact CD2-CG1 4.11Å; L757-I1012 HydrophobicContact CG-CD1 4.31Å; L761-I1012 HydrophobicContact CD1-CB 4.41Å; L761-I1012 HydrophobicContact CD1-CD1 4.24Å; L761-I1012 HydrophobicContact CD1-CG1 4.37Å; L761-I1012 HydrophobicContact CD1-CG2 3.92Å; L761-I1012 HydrophobicContact CD2-CB 4.11Å; L761-I1012 HydrophobicContact CD2-CD1 3.61Å; L761-I1012 VanDerWaalsContact CD2-CD1 3.48Å; L761-I1012 HydrophobicContact CD2-CG1 4.41Å; L761-I1012 HydrophobicContact CD2-CG2 4Å; L761-I1012 HydrophobicContact CG-CD1 4.18Å; M764-I1012 HydrophobicContact CE-CD1 3.91Å; M764-I1012 HydrophobicContact SD-CD1 4.13Å; H1008-I1012 HydrophobicContact CB-CD1 4.38Å; H1008-I1012 VanDerWaalsContact O-CD1 3.24Å; H1008-I1012 WeakPolarHBondContact O-CD1 3.34Å; H1008-I1012 VanDerWaalsContact O-CG1 3.26Å; H1008-I1012 WeakPolarHBondContact O-CG1 3.36Å; H1008-I1012 PolarHBondContact O-N 3.47Å; R1010-I1012 VanDerWaalsContact C-N 3.28Å; R1010-I1012 PolarHBondContact O-N 2.92Å; I1012-T1014 PolarHBondContact O-N 3.22Å; I1012-T1015 WeakPolarHBondContact CD1-O 3.41Å; I1012-T1015 PolarHBondContact O-N 3.16Å; I1012-T1015 VanDerWaalsContact O-N 3.07Å; I1012-T1015 PolarHBondContact O-OG1 3.33Å; I1012-T1015 VanDerWaalsContact O-OG1 3.05Å; I1012-L1020 HydrophobicContact CD1-CB 3.92Å; I1012-L1020 HydrophobicContact CD1-CD1 3.59Å; I1012-L1020 VanDerWaalsContact CD1-CD1 3.41Å; I1012-L1020 HydrophobicContact CD1-CD2 3.98Å; I1012-L1020 HydrophobicContact CD1-CG 4.21Å; I1012-L1020 HydrophobicContact CG1-CB 4.36Å; I1012-L1020 HydrophobicContact CG1-CD1 4Å; I1012-L1020 HydrophobicContact CG1-CD2 4.46Å; I1012-L1020 HydrophobicContact CG2-CD1 4.37Å; I1012-L1020 HydrophobicContact CG2-CD2 4.22Å |
| 1013 | V | 58.4 | Low | 80.2 | Confident | 126.8 Ų | 126.8 | 63.9 Ų | 63.9 | 77% | 0.768 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -57.8 | -14.4 | -175.3 | -174.5 | 0 | 0 | 0 | 0 | 112.8 | P897 S1011 T1015 | P897-V1013 HydrophobicContact CG-CG2 4.37Å; S1011-V1013 VanDerWaalsContact C-N 3.31Å; S1011-V1013 PolarHBondContact O-N 3.17Å; V1013-T1015 WeakPolarHBondContact O-CG2 3.35Å; V1013-T1015 PolarHBondContact O-N 2.72Å |
| 1014 | T | 58.9 | Low | 80.3 | Confident | 129.8 Ų | 129.8 | 63.8 Ų | 63.8 | 80% | 0.796 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -100.5 | 12.8 | -175.9 | 53 | 0 | 0 | 0 | 0 | 115.2 | S1011 I1012 | S1011-T1014 PolarHBondContact O-OG1 3.01Å; I1012-T1014 PolarHBondContact O-N 3.22Å |
| 1015 | T | 68.1 | Low | 80.4 | Confident | 50.4 Ų | 50.4 | 61.3 Ų | 61.3 | 31% | 0.309 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -125.8 | 134.3 | -172.9 | 64.8 | 0 | 0 | 0 | 0 | 114.2 | I1012 V1013 H1019 | I1012-T1015 WeakPolarHBondContact CD1-O 3.41Å; I1012-T1015 PolarHBondContact O-N 3.16Å; I1012-T1015 VanDerWaalsContact O-N 3.07Å; I1012-T1015 PolarHBondContact O-OG1 3.33Å; I1012-T1015 VanDerWaalsContact O-OG1 3.05Å; V1013-T1015 WeakPolarHBondContact O-CG2 3.35Å; V1013-T1015 PolarHBondContact O-N 2.72Å; T1015-H1019 WeakPolarHBondContact O-CB 3.37Å; T1015-H1019 PolarHBondContact OG1-CD2 3.1Å |
| 1016 | G | 77.3 | Confident | 80.4 | Confident | 49.6 Ų | 49.6 | 62.9 Ų | 62.9 | 51% | 0.511 | 35% | 0.351 | S | S | . | . | trans | -60.2 | 161.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1018 H1019 L1020 | G1016-A1018 VanDerWaalsContact C-N 3.28Å; G1016-A1018 PolarHBondContact O-N 2.93Å; G1016-A1018 VanDerWaalsContact O-N 3.12Å; G1016-H1019 WeakPolarHBondContact O-CA 3.36Å; G1016-H1019 WeakPolarHBondContact O-CB 3.34Å; G1016-H1019 PolarHBondContact O-N 3.06Å; G1016-L1020 PolarHBondContact O-N 3.23Å; G1016-L1020 VanDerWaalsContact O-N 3.14Å | ||
| 1017 | R | 84 | Confident | 80.5 | Confident | 108 Ų | 108 | 63 Ų | 63 | 41% | 0.408 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -50.5 | -39.9 | -171.6 | -139.3 | 108 | -173 | 125.1 | -2.3 | 114.7 | L752 S754 L757 H1019 L1020 Q1021 | L752-R1017 PolarHBondContact O-NH2 3.04Å; S754-R1017 PolarHBondContact O-NE 3.2Å; S754-R1017 PolarHBondContact O-NH2 3.28Å; L757-R1017 HydrophobicContact CD1-CB 4.11Å; L757-R1017 HydrophobicContact CD1-CG 4.42Å; R1017-H1019 VanDerWaalsContact C-N 3.3Å; R1017-H1019 PolarHBondContact O-N 3.12Å; R1017-L1020 PolarHBondContact O-N 3.14Å; R1017-Q1021 VanDerWaalsContact CZ-OE1 3.28Å; R1017-Q1021 WeakPolarHBondContact O-CB 3.49Å; R1017-Q1021 PolarHBondContact O-N 3.2Å |
| 1018 | A | 84.8 | Confident | 80.9 | Confident | 73.6 Ų | 73.6 | 59.6 Ų | 59.6 | 61% | 0.608 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -70.2 | -31 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G1016 Q1021 K1022 | G1016-A1018 VanDerWaalsContact C-N 3.28Å; G1016-A1018 PolarHBondContact O-N 2.93Å; G1016-A1018 VanDerWaalsContact O-N 3.12Å; A1018-Q1021 PolarHBondContact O-N 3.1Å; A1018-K1022 WeakPolarHBondContact O-CG 3.36Å; A1018-K1022 PolarHBondContact O-N 3.24Å |
| 1019 | H | 84.9 | Confident | 81.3 | Confident | 96.6 Ų | 96.6 | 59.8 Ų | 59.8 | 45% | 0.447 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -71.2 | -45.7 | 172.7 | -174 | 90.9 | 0 | 0 | 0 | 110.5 | T1015 G1016 R1017 Q1021 K1022 Q1023 | T1015-H1019 WeakPolarHBondContact O-CB 3.37Å; T1015-H1019 PolarHBondContact OG1-CD2 3.1Å; G1016-H1019 WeakPolarHBondContact O-CA 3.36Å; G1016-H1019 WeakPolarHBondContact O-CB 3.34Å; G1016-H1019 PolarHBondContact O-N 3.06Å; R1017-H1019 VanDerWaalsContact C-N 3.3Å; R1017-H1019 PolarHBondContact O-N 3.12Å; H1019-Q1021 VanDerWaalsContact C-N 3.3Å; H1019-Q1021 PolarHBondContact O-N 3.3Å; H1019-K1022 PolarHBondContact O-N 3.16Å; H1019-K1022 VanDerWaalsContact O-N 3.13Å; H1019-Q1023 PolarHBondContact CD2-NE2 3.27Å; H1019-Q1023 PolarHBondContact NE2-NE2 3.16Å; H1019-Q1023 PolarHBondContact O-N 3.2Å; H1019-Q1023 VanDerWaalsContact O-N 3.11Å |
| 1020 | L | 87.7 | Confident | 81.7 | Confident | 13.8 Ų | 13.8 | 62.6 Ų | 62.6 | 7% | 0.072 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -55.9 | -43.6 | 173.1 | 177.9 | 64.8 | 0 | 0 | 0 | 111.8 | L757 V760 L761 M764 I1012 G1016 R1017 K1022 Q1023 I1024 | L757-L1020 HydrophobicContact CD1-CD2 3.83Å; V760-L1020 HydrophobicContact CB-CD2 4.4Å; V760-L1020 HydrophobicContact CG1-CD2 3.8Å; L761-L1020 HydrophobicContact CD2-CD2 3.88Å; M764-L1020 HydrophobicContact CE-CD1 4.13Å; M764-L1020 HydrophobicContact SD-CD1 4.01Å; M764-L1020 HydrophobicContact SD-CD2 4.23Å; M764-L1020 HydrophobicContact SD-CG 4.44Å; I1012-L1020 HydrophobicContact CD1-CB 3.92Å; I1012-L1020 HydrophobicContact CD1-CD1 3.59Å; I1012-L1020 VanDerWaalsContact CD1-CD1 3.41Å; I1012-L1020 HydrophobicContact CD1-CD2 3.98Å; I1012-L1020 HydrophobicContact CD1-CG 4.21Å; I1012-L1020 HydrophobicContact CG1-CB 4.36Å; I1012-L1020 HydrophobicContact CG1-CD1 4Å; I1012-L1020 HydrophobicContact CG1-CD2 4.46Å; I1012-L1020 HydrophobicContact CG2-CD1 4.37Å; I1012-L1020 HydrophobicContact CG2-CD2 4.22Å; G1016-L1020 PolarHBondContact O-N 3.23Å; G1016-L1020 VanDerWaalsContact O-N 3.14Å; R1017-L1020 PolarHBondContact O-N 3.14Å; L1020-K1022 VanDerWaalsContact C-N 3.3Å; L1020-K1022 PolarHBondContact O-N 3.05Å; L1020-Q1023 WeakPolarHBondContact O-CB 3.34Å; L1020-Q1023 PolarHBondContact O-N 3.14Å; L1020-Q1023 VanDerWaalsContact O-N 3.14Å; L1020-I1024 HydrophobicContact CD1-CD1 4.06Å; L1020-I1024 HydrophobicContact CD1-CG1 4.14Å; L1020-I1024 HydrophobicContact CD2-CD1 4.19Å; L1020-I1024 HydrophobicContact CG-CD1 3.87Å; L1020-I1024 HydrophobicContact CG-CG1 4.36Å; L1020-I1024 VanDerWaalsContact O-CG1 3.32Å; L1020-I1024 WeakPolarHBondContact O-CG1 3.34Å; L1020-I1024 PolarHBondContact O-N 3.03Å |
| 1021 | Q | 90.3 | Very high | 82.5 | Confident | 20.8 Ų | 20.8 | 55.9 Ų | 55.9 | 10% | 0.097 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 177.6 | -168.8 | 77.5 | 11.8 | 0 | 0 | 111.5 | L752 R1017 A1018 H1019 Q1023 I1024 L1025 N1197 | L752-Q1021 PolarHBondContact O-OE1 3.39Å; R1017-Q1021 VanDerWaalsContact CZ-OE1 3.28Å; R1017-Q1021 WeakPolarHBondContact O-CB 3.49Å; R1017-Q1021 PolarHBondContact O-N 3.2Å; A1018-Q1021 PolarHBondContact O-N 3.1Å; H1019-Q1021 VanDerWaalsContact C-N 3.3Å; H1019-Q1021 PolarHBondContact O-N 3.3Å; Q1021-Q1023 VanDerWaalsContact C-N 3.33Å; Q1021-Q1023 PolarHBondContact O-N 3.11Å; Q1021-I1024 PolarHBondContact O-N 3.13Å; Q1021-L1025 HydrophobicContact CG-CD1 4.16Å; Q1021-L1025 HydrophobicContact CG-CG 4.41Å; Q1021-L1025 VanDerWaalsContact O-CG 3.31Å; Q1021-L1025 WeakPolarHBondContact O-CG 3.38Å; Q1021-L1025 PolarHBondContact O-N 3.16Å; Q1021-N1197 VanDerWaalsContact CD-OD1 3.27Å; Q1021-N1197 PolarHBondContact NE2-OD1 3.3Å; Q1021-N1197 PolarHBondContact OE1-OD1 2.9Å; Q1021-N1197 VanDerWaalsContact OE1-OD1 3.07Å |
| 1022 | K | 89.5 | Confident | 83.2 | Confident | 138.2 Ų | 138.2 | 56.1 Ų | 56.1 | 60% | 0.601 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.1 | -36.4 | 176.6 | -71.1 | -176.6 | 176.7 | -172.5 | 0 | 112.8 | A1018 H1019 L1020 L1025 A1026 | A1018-K1022 WeakPolarHBondContact O-CG 3.36Å; A1018-K1022 PolarHBondContact O-N 3.24Å; H1019-K1022 PolarHBondContact O-N 3.16Å; H1019-K1022 VanDerWaalsContact O-N 3.13Å; L1020-K1022 VanDerWaalsContact C-N 3.3Å; L1020-K1022 PolarHBondContact O-N 3.05Å; K1022-L1025 PolarHBondContact O-N 3.35Å; K1022-A1026 WeakPolarHBondContact O-CB 3.34Å; K1022-A1026 PolarHBondContact O-N 3.02Å |
| 1023 | Q | 88.9 | Confident | 84.2 | Confident | 40.6 Ų | 40.6 | 58.7 Ų | 58.7 | 19% | 0.19 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.3 | -48.9 | 171.1 | -67.5 | -178.3 | -5.3 | 0 | 0 | 111.4 | H1019 L1020 Q1021 L1025 A1026 L1027 | H1019-Q1023 PolarHBondContact CD2-NE2 3.27Å; H1019-Q1023 PolarHBondContact NE2-NE2 3.16Å; H1019-Q1023 PolarHBondContact O-N 3.2Å; H1019-Q1023 VanDerWaalsContact O-N 3.11Å; L1020-Q1023 WeakPolarHBondContact O-CB 3.34Å; L1020-Q1023 PolarHBondContact O-N 3.14Å; L1020-Q1023 VanDerWaalsContact O-N 3.14Å; Q1021-Q1023 VanDerWaalsContact C-N 3.33Å; Q1021-Q1023 PolarHBondContact O-N 3.11Å; Q1023-L1025 PolarHBondContact O-N 3.03Å; Q1023-A1026 WeakPolarHBondContact O-CB 3.4Å; Q1023-A1026 PolarHBondContact O-N 3.17Å; Q1023-A1026 VanDerWaalsContact O-N 3.12Å; Q1023-L1027 WeakPolarHBondContact O-CG 3.35Å; Q1023-L1027 PolarHBondContact O-N 3.16Å |
| 1024 | I | 91.6 | Very high | 85.6 | Confident | 18.8 Ų | 18.8 | 56.7 Ų | 56.7 | 10% | 0.096 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.9 | -48.8 | 177.8 | -70.1 | 167.6 | 0 | 0 | 0 | 110.7 | L752 V760 M764 L1020 Q1021 A1026 L1027 L1028 | L752-I1024 HydrophobicContact CB-CG2 4.11Å; L752-I1024 HydrophobicContact CD1-CG2 4.25Å; L752-I1024 HydrophobicContact CD2-CD1 4.48Å; V760-I1024 HydrophobicContact CG1-CD1 3.54Å; V760-I1024 VanDerWaalsContact CG1-CD1 3.47Å; M764-I1024 HydrophobicContact CE-CG1 4.25Å; M764-I1024 HydrophobicContact SD-CD1 3.88Å; M764-I1024 HydrophobicContact SD-CG1 4.02Å; L1020-I1024 HydrophobicContact CD1-CD1 4.06Å; L1020-I1024 HydrophobicContact CD1-CG1 4.14Å; L1020-I1024 HydrophobicContact CD2-CD1 4.19Å; L1020-I1024 HydrophobicContact CG-CD1 3.87Å; L1020-I1024 HydrophobicContact CG-CG1 4.36Å; L1020-I1024 VanDerWaalsContact O-CG1 3.32Å; L1020-I1024 WeakPolarHBondContact O-CG1 3.34Å; L1020-I1024 PolarHBondContact O-N 3.03Å; Q1021-I1024 PolarHBondContact O-N 3.13Å; I1024-A1026 VanDerWaalsContact C-N 3.31Å; I1024-A1026 PolarHBondContact O-N 3.22Å; I1024-L1027 PolarHBondContact O-N 3.07Å; I1024-L1027 VanDerWaalsContact O-N 3.15Å; I1024-L1028 HydrophobicContact CG2-CD1 3.98Å; I1024-L1028 HydrophobicContact CG2-CG 4.29Å; I1024-L1028 VanDerWaalsContact O-CG 3.31Å; I1024-L1028 WeakPolarHBondContact O-CG 3.32Å; I1024-L1028 PolarHBondContact O-N 3.16Å |
| 1025 | L | 92.7 | Very high | 87 | Confident | 8.4 Ų | 8.4 | 51.5 Ų | 51.5 | 4% | 0.044 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65 | -35.9 | 179.6 | -62.5 | -175.8 | 0 | 0 | 0 | 112.5 | Q1021 K1022 Q1023 L1027 L1028 R1029 G1200 F1201 A1204 E1362 | Q1021-L1025 HydrophobicContact CG-CD1 4.16Å; Q1021-L1025 HydrophobicContact CG-CG 4.41Å; Q1021-L1025 VanDerWaalsContact O-CG 3.31Å; Q1021-L1025 WeakPolarHBondContact O-CG 3.38Å; Q1021-L1025 PolarHBondContact O-N 3.16Å; K1022-L1025 PolarHBondContact O-N 3.35Å; Q1023-L1025 PolarHBondContact O-N 3.03Å; L1025-L1027 VanDerWaalsContact C-N 3.31Å; L1025-L1027 PolarHBondContact O-N 2.96Å; L1025-L1028 HydrophobicContact CD2-CD1 4.21Å; L1025-L1028 PolarHBondContact O-N 3.14Å; L1025-R1029 WeakPolarHBondContact O-CG 3.34Å; L1025-R1029 PolarHBondContact O-N 3.22Å; L1025-R1029 VanDerWaalsContact O-N 3.12Å; L1025-G1200 VanDerWaalsContact CD2-C 3.44Å; L1025-G1200 WeakPolarHBondContact CD2-O 3.27Å; L1025-F1201 HydrophobicContact CD2-CB 4.43Å; L1025-A1204 HydrophobicContact CB-CB 4.3Å; L1025-A1204 HydrophobicContact CD2-CB 4.08Å; L1025-E1362 HydrophobicContact CB-CG 4.4Å; L1025-E1362 WeakPolarHBondContact CB-OE2 3.43Å; L1025-E1362 HydrophobicContact CD1-CB 4.26Å; L1025-E1362 VanDerWaalsContact CD1-CD 3.44Å; L1025-E1362 HydrophobicContact CD1-CG 3.97Å; L1025-E1362 WeakPolarHBondContact CD1-OE1 3.38Å |
| 1026 | A | 90.3 | Very high | 88 | Confident | 44.4 Ų | 44.4 | 53.5 Ų | 53.5 | 37% | 0.367 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.6 | -35.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1022 Q1023 I1024 | K1022-A1026 WeakPolarHBondContact O-CB 3.34Å; K1022-A1026 PolarHBondContact O-N 3.02Å; Q1023-A1026 WeakPolarHBondContact O-CB 3.4Å; Q1023-A1026 PolarHBondContact O-N 3.17Å; Q1023-A1026 VanDerWaalsContact O-N 3.12Å; I1024-A1026 VanDerWaalsContact C-N 3.31Å; I1024-A1026 PolarHBondContact O-N 3.22Å |
| 1027 | L | 90.9 | Very high | 88.6 | Confident | 7.2 Ų | 7.2 | 51.6 Ų | 51.6 | 4% | 0.038 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73.3 | -41.9 | 174.7 | -65.8 | 171.4 | 0 | 0 | 0 | 112.1 | V1001 E1004 I1005 H1008 Q1023 I1024 L1025 R1029 K1030 | V1001-L1027 WeakPolarHBondContact CG1-O 3.35Å; E1004-L1027 HydrophobicContact CB-CD2 4.36Å; E1004-L1027 VanDerWaalsContact CD-CD2 3.43Å; E1004-L1027 HydrophobicContact CG-CD2 3.64Å; E1004-L1027 VanDerWaalsContact OE1-CD2 3.28Å; E1004-L1027 WeakPolarHBondContact OE1-CD2 3.36Å; E1004-L1027 WeakPolarHBondContact OE2-CD2 3.43Å; I1005-L1027 HydrophobicContact CB-CD1 4.42Å; I1005-L1027 HydrophobicContact CD1-CB 4.41Å; I1005-L1027 HydrophobicContact CG1-CB 3.87Å; I1005-L1027 HydrophobicContact CG1-CD1 3.82Å; I1005-L1027 HydrophobicContact CG1-CG 4.39Å; H1008-L1027 HydrophobicContact CB-CD1 4.24Å; Q1023-L1027 WeakPolarHBondContact O-CG 3.35Å; Q1023-L1027 PolarHBondContact O-N 3.16Å; I1024-L1027 PolarHBondContact O-N 3.07Å; I1024-L1027 VanDerWaalsContact O-N 3.15Å; L1025-L1027 VanDerWaalsContact C-N 3.31Å; L1025-L1027 PolarHBondContact O-N 2.96Å; L1027-R1029 VanDerWaalsContact C-N 3.27Å; L1027-R1029 PolarHBondContact O-N 3.16Å; L1027-K1030 HydrophobicContact CD2-CD 4.44Å; L1027-K1030 VanDerWaalsContact O-CB 3.31Å; L1027-K1030 WeakPolarHBondContact O-CB 3.38Å; L1027-K1030 PolarHBondContact O-N 3.33Å; L1027-K1030 VanDerWaalsContact O-N 3.09Å |
| 1028 | L | 93.5 | Very high | 89 | Confident | 4.2 Ų | 4.2 | 46.6 Ų | 46.6 | 2% | 0.022 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.9 | -34.8 | 176.6 | -69.2 | 178.8 | 0 | 0 | 0 | 112.3 | F749 L752 I1005 I1024 L1025 K1030 I1031 F1201 A1204 L1205 | F749-L1028 HydrophobicContact CD1-CD2 3.9Å; F749-L1028 HydrophobicContact CE1-CD2 3.58Å; L752-L1028 HydrophobicContact CD1-CD1 4.48Å; L752-L1028 HydrophobicContact CD1-CD2 4.08Å; I1005-L1028 HydrophobicContact CD1-CD2 4.43Å; I1024-L1028 HydrophobicContact CG2-CD1 3.98Å; I1024-L1028 HydrophobicContact CG2-CG 4.29Å; I1024-L1028 VanDerWaalsContact O-CG 3.31Å; I1024-L1028 WeakPolarHBondContact O-CG 3.32Å; I1024-L1028 PolarHBondContact O-N 3.16Å; L1025-L1028 HydrophobicContact CD2-CD1 4.21Å; L1025-L1028 PolarHBondContact O-N 3.14Å; L1028-K1030 PolarHBondContact O-N 3.15Å; L1028-K1030 VanDerWaalsContact O-N 3.13Å; L1028-I1031 HydrophobicContact CD2-CD1 3.81Å; L1028-I1031 WeakPolarHBondContact O-CB 3.33Å; L1028-I1031 PolarHBondContact O-N 3.17Å; L1028-F1201 HydrophobicContact CD1-CD2 3.48Å; L1028-F1201 VanDerWaalsContact CD1-CD2 3.47Å; L1028-F1201 HydrophobicContact CD1-CE2 3.84Å; L1028-F1201 HydrophobicContact CD1-CG 4.38Å; L1028-A1204 HydrophobicContact CB-CB 3.85Å; L1028-L1205 HydrophobicContact CB-CD1 4.4Å; L1028-L1205 HydrophobicContact CB-CD2 4.38Å; L1028-L1205 HydrophobicContact CB-CG 4.14Å; L1028-L1205 HydrophobicContact CD1-CD1 4.25Å; L1028-L1205 HydrophobicContact CD1-CG 4.25Å; L1028-L1205 HydrophobicContact CD2-CD1 4.19Å; L1028-L1205 HydrophobicContact CD2-CD2 4.1Å; L1028-L1205 HydrophobicContact CD2-CG 4.09Å; L1028-L1205 HydrophobicContact CG-CG 4.38Å |
| 1029 | R | 91.5 | Very high | 89.4 | Confident | 60.8 Ų | 60.8 | 44.8 Ų | 44.8 | 23% | 0.229 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -15.1 | 172.8 | -77 | -174.9 | -28.4 | 155.4 | -2.6 | 114.6 | L1025 L1027 I1031 A1204 N1361 E1362 L1363 N1364 D1420 | L1025-R1029 WeakPolarHBondContact O-CG 3.34Å; L1025-R1029 PolarHBondContact O-N 3.22Å; L1025-R1029 VanDerWaalsContact O-N 3.12Å; L1027-R1029 VanDerWaalsContact C-N 3.27Å; L1027-R1029 PolarHBondContact O-N 3.16Å; R1029-I1031 VanDerWaalsContact C-N 3.28Å; R1029-A1204 WeakPolarHBondContact CA-O 3.11Å; R1029-A1204 HydrophobicContact CG-CB 3.88Å; R1029-N1361 PolarHBondContact NH1-O 3.12Å; R1029-N1361 VanDerWaalsContact NH1-O 3.08Å; R1029-E1362 VanDerWaalsContact CD-O 3.28Å; R1029-E1362 WeakPolarHBondContact CD-O 3.36Å; R1029-E1362 WeakPolarHBondContact CG-O 3.44Å; R1029-E1362 IonicContact CZ-OE2 3.17Å; R1029-E1362 IonicContact NE-OE2 3.13Å; R1029-E1362 PolarHBondContact NE-OE2 3.27Å; R1029-E1362 IonicContact NH2-OE1 2.74Å; R1029-E1362 IonicContact NH2-OE2 2.76Å; R1029-E1362 PolarHBondContact NH2-OE2 3.21Å; R1029-L1363 WeakPolarHBondContact CD-O 3.47Å; R1029-N1364 PolarHBondContact O-ND2 3.02Å; R1029-N1364 VanDerWaalsContact O-ND2 3.13Å; R1029-D1420 IonicContact CZ-OD2 3.6Å; R1029-D1420 IonicContact NH1-OD2 3.73Å; R1029-D1420 PolarHBondContact NH1-OD2 2.99Å |
| 1030 | K | 89.4 | Confident | 89.8 | Confident | 85.4 Ų | 85.4 | 42.9 Ų | 42.9 | 37% | 0.371 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -13.9 | 173 | -57 | -177.3 | 178.3 | -175.8 | 0 | 113 | V1001 E1004 L1027 L1028 N1032 | V1001-K1030 HydrophobicContact CG1-CB 4.15Å; V1001-K1030 HydrophobicContact CG2-CB 3.93Å; E1004-K1030 IonicContact OE1-NZ 3.35Å; E1004-K1030 PolarHBondContact OE1-NZ 3.29Å; E1004-K1030 WeakPolarHBondContact OE2-CD 3.37Å; E1004-K1030 IonicContact OE2-NZ 2.95Å; E1004-K1030 PolarHBondContact OE2-NZ 3.16Å; L1027-K1030 HydrophobicContact CD2-CD 4.44Å; L1027-K1030 VanDerWaalsContact O-CB 3.31Å; L1027-K1030 WeakPolarHBondContact O-CB 3.38Å; L1027-K1030 PolarHBondContact O-N 3.33Å; L1027-K1030 VanDerWaalsContact O-N 3.09Å; L1028-K1030 PolarHBondContact O-N 3.15Å; L1028-K1030 VanDerWaalsContact O-N 3.13Å; K1030-N1032 PolarHBondContact O-N 3Å; K1030-N1032 VanDerWaalsContact O-N 3.17Å |
| 1031 | I | 89.2 | Confident | 90.1 | Very high | 1.4 Ų | 1.4 | 42.6 Ų | 42.6 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | trans | -82 | 97.2 | -176.4 | -55.7 | 179.1 | 0 | 0 | 0 | 109.4 | F749 V998 V1001 Y1002 I1005 L1028 R1029 N1038 L1205 S1207 V1208 | F749-I1031 HydrophobicContact CE1-CD1 3.75Å; F749-I1031 HydrophobicContact CZ-CD1 3.87Å; V998-I1031 HydrophobicContact CG1-CB 4.41Å; V998-I1031 HydrophobicContact CG1-CD1 4.28Å; V998-I1031 HydrophobicContact CG1-CG1 3.9Å; V998-I1031 HydrophobicContact CG1-CG2 4.09Å; V1001-I1031 HydrophobicContact CB-CG1 4.32Å; V1001-I1031 HydrophobicContact CG1-CD1 4.32Å; V1001-I1031 HydrophobicContact CG1-CG1 3.79Å; V1001-I1031 HydrophobicContact CG2-CG1 4.36Å; Y1002-I1031 HydrophobicContact CE1-CD1 4.12Å; I1005-I1031 HydrophobicContact CD1-CD1 4.47Å; L1028-I1031 HydrophobicContact CD2-CD1 3.81Å; L1028-I1031 WeakPolarHBondContact O-CB 3.33Å; L1028-I1031 PolarHBondContact O-N 3.17Å; R1029-I1031 VanDerWaalsContact C-N 3.28Å; I1031-N1038 VanDerWaalsContact CG2-ND2 3.31Å; I1031-N1038 WeakPolarHBondContact CG2-ND2 3.32Å; I1031-L1205 HydrophobicContact CB-CD1 3.87Å; I1031-L1205 HydrophobicContact CB-CD2 3.92Å; I1031-L1205 HydrophobicContact CD1-CD1 3.97Å; I1031-L1205 HydrophobicContact CD1-CD2 3.97Å; I1031-L1205 HydrophobicContact CG1-CD1 4.43Å; I1031-L1205 HydrophobicContact CG1-CD2 4.46Å; I1031-L1205 HydrophobicContact CG2-CD1 3.93Å; I1031-L1205 HydrophobicContact CG2-CD2 4.05Å; I1031-S1207 PolarHBondContact O-OG 2.89Å; I1031-V1208 HydrophobicContact CG2-CG1 3.75Å; I1031-V1208 HydrophobicContact CG2-CG2 3.83Å | ||
| 1032 | N | 82.9 | Confident | 90.4 | Very high | 70.6 Ų | 70.6 | 41.7 Ų | 41.7 | 38% | 0.378 | 21% | 0.206 | S | C | . | . | trans | -110.2 | 3 | 179.5 | -64.8 | -24.1 | 0 | 0 | 0 | 113.4 | K1030 N1364 L1366 | K1030-N1032 PolarHBondContact O-N 3Å; K1030-N1032 VanDerWaalsContact O-N 3.17Å; N1032-N1364 PolarHBondContact OD1-ND2 3.19Å; N1032-L1366 HydrophobicContact CB-CD1 4Å; N1032-L1366 WeakPolarHBondContact OD1-CD1 3.38Å | ||
| 1033 | H | 83.6 | Confident | 90.6 | Very high | 82.8 Ų | 82.8 | 38.2 Ų | 38.2 | 38% | 0.383 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -107 | 124 | 175.2 | -107.1 | -89.9 | 0 | 0 | 0 | 110.2 | P997 V998 T1035 N1038 Q1217 R1312 | P997-H1033 HydrophobicContact CB-CB 4.28Å; V998-H1033 HydrophobicContact CG1-CB 3.93Å; V998-H1033 HydrophobicContact CG2-CB 4.29Å; H1033-T1035 PolarHBondContact O-N 3.22Å; H1033-N1038 PolarHBondContact O-ND2 3.34Å; H1033-Q1217 VanDerWaalsContact CE1-CD 3.48Å; H1033-Q1217 PolarHBondContact CE1-NE2 3.19Å; H1033-Q1217 PolarHBondContact CE1-OE1 2.94Å; H1033-Q1217 VanDerWaalsContact CE1-OE1 3.28Å; H1033-Q1217 PolarHBondContact NE2-NE2 3.33Å; H1033-Q1217 PolarHBondContact NE2-OE1 2.66Å; H1033-R1312 PolarHBondContact NE2-NH2 3.38Å |
| 1034 | Q | 88.2 | Confident | 90.8 | Very high | 85.4 Ų | 85.4 | 39.4 Ų | 39.4 | 40% | 0.399 | 20% | 0.197 | S | C | . | . | trans | -70.8 | 118.4 | 173.4 | -178.3 | -173.8 | -83.2 | 0 | 0 | 109.8 | K1039 V1208 L1210 | Q1034-K1039 HydrophobicContact CG-CB 4.15Å; Q1034-K1039 HydrophobicContact CG-CD 4.25Å; Q1034-K1039 VanDerWaalsContact OE1-CD 3.28Å; Q1034-V1208 HydrophobicContact CG-CG1 4.27Å; Q1034-V1208 WeakPolarHBondContact CG-O 3.28Å; Q1034-V1208 PolarHBondContact NE2-O 2.77Å; Q1034-V1208 PolarHBondContact OE1-O 3.09Å; Q1034-L1210 PolarHBondContact NE2-O 3.2Å | ||
| 1035 | T | 88.3 | Confident | 91 | Very high | 21.2 Ų | 21.2 | 38.7 Ų | 38.7 | 13% | 0.13 | 19% | 0.194 | C | C | . | . | trans | -106.2 | 160.2 | 161.6 | 69.5 | 0 | 0 | 0 | 0 | 108.4 | E745 V998 H1033 G1037 N1038 K1039 | E745-T1035 VanDerWaalsContact OE1-CB 3.26Å; E745-T1035 WeakPolarHBondContact OE1-CB 3.29Å; E745-T1035 PolarHBondContact OE1-OG1 3.32Å; E745-T1035 PolarHBondContact OE2-OG1 3.2Å; E745-T1035 VanDerWaalsContact OE2-OG1 3.05Å; V998-T1035 HydrophobicContact CG1-CG2 4.19Å; V998-T1035 HydrophobicContact CG2-CG2 3.75Å; H1033-T1035 PolarHBondContact O-N 3.22Å; T1035-G1037 VanDerWaalsContact C-N 3.31Å; T1035-G1037 PolarHBondContact O-N 3.22Å; T1035-N1038 WeakPolarHBondContact CA-OD1 3.43Å; T1035-N1038 VanDerWaalsContact N-CG 3.34Å; T1035-N1038 PolarHBondContact N-ND2 3.12Å; T1035-N1038 PolarHBondContact N-OD1 3.24Å; T1035-N1038 PolarHBondContact O-N 3.12Å; T1035-N1038 VanDerWaalsContact O-N 3.14Å; T1035-N1038 PolarHBondContact O-OD1 3.08Å; T1035-N1038 VanDerWaalsContact OG1-CB 3.29Å; T1035-N1038 WeakPolarHBondContact OG1-CB 3.4Å; T1035-N1038 PolarHBondContact OG1-N 3.25Å; T1035-N1038 VanDerWaalsContact OG1-N 3.11Å; T1035-N1038 PolarHBondContact OG1-ND2 3.12Å; T1035-N1038 VanDerWaalsContact OG1-ND2 3.11Å; T1035-N1038 PolarHBondContact OG1-OD1 3.16Å; T1035-N1038 VanDerWaalsContact OG1-OD1 3.07Å; T1035-K1039 WeakPolarHBondContact O-CB 3.35Å; T1035-K1039 PolarHBondContact O-N 3.16Å; T1035-K1039 VanDerWaalsContact O-N 3.11Å | ||
| 1036 | Q | 88.2 | Confident | 91.2 | Very high | 91 Ų | 91 | 38.9 Ų | 38.9 | 43% | 0.425 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.4 | -33 | -179.9 | -172.6 | 60.5 | 30.8 | 0 | 0 | 111.9 | I742 L891 L1040 | I742-Q1036 HydrophobicContact CD1-CB 3.92Å; I742-Q1036 HydrophobicContact CD1-CG 4.12Å; I742-Q1036 HydrophobicContact CG1-CB 4.1Å; I742-Q1036 HydrophobicContact CG2-CB 4.08Å; I742-Q1036 HydrophobicContact CG2-CG 3.87Å; L891-Q1036 HydrophobicContact CB-CB 4.33Å; Q1036-L1040 HydrophobicContact CG-CD1 4.08Å; Q1036-L1040 WeakPolarHBondContact O-CB 3.38Å; Q1036-L1040 WeakPolarHBondContact O-CD1 3.37Å; Q1036-L1040 VanDerWaalsContact O-CG 3.29Å; Q1036-L1040 WeakPolarHBondContact O-CG 3.42Å; Q1036-L1040 PolarHBondContact O-N 3.1Å; Q1036-L1040 VanDerWaalsContact O-N 3.11Å |
| 1037 | G | 90.6 | Very high | 91.3 | Very high | 9.8 Ų | 9.8 | 41.5 Ų | 41.5 | 10% | 0.101 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -76.3 | -36.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I742 E745 T746 T1035 L1040 A1041 | I742-G1037 WeakPolarHBondContact O-CA 3.34Å; E745-G1037 WeakPolarHBondContact OE2-CA 3.35Å; E745-G1037 PolarHBondContact OE2-N 3.2Å; T746-G1037 VanDerWaalsContact OG1-CA 3.31Å; T746-G1037 WeakPolarHBondContact OG1-CA 3.24Å; T746-G1037 PolarHBondContact OG1-O 3.24Å; T1035-G1037 VanDerWaalsContact C-N 3.31Å; T1035-G1037 PolarHBondContact O-N 3.22Å; G1037-L1040 PolarHBondContact O-N 3.31Å; G1037-A1041 VanDerWaalsContact O-CB 3.31Å; G1037-A1041 WeakPolarHBondContact O-CB 3.34Å; G1037-A1041 PolarHBondContact O-N 3.02Å |
| 1038 | N | 92.8 | Very high | 91.5 | Very high | 3.6 Ų | 3.6 | 42.3 Ų | 42.3 | 2% | 0.019 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.9 | -37.3 | 176.3 | 67.1 | 7.3 | 0 | 0 | 0 | 111.9 | F749 Y1002 I1031 H1033 T1035 A1041 W1042 V1208 | F749-N1038 HydrophobicContact CD2-CB 4.01Å; F749-N1038 HydrophobicContact CE2-CB 3.42Å; F749-N1038 VanDerWaalsContact CE2-CB 3.43Å; F749-N1038 HydrophobicContact CZ-CB 3.82Å; Y1002-N1038 PolarHBondContact OH-ND2 3.33Å; Y1002-N1038 PolarHBondContact OH-OD1 3.25Å; I1031-N1038 VanDerWaalsContact CG2-ND2 3.31Å; I1031-N1038 WeakPolarHBondContact CG2-ND2 3.32Å; H1033-N1038 PolarHBondContact O-ND2 3.34Å; T1035-N1038 WeakPolarHBondContact CA-OD1 3.43Å; T1035-N1038 VanDerWaalsContact N-CG 3.34Å; T1035-N1038 PolarHBondContact N-ND2 3.12Å; T1035-N1038 PolarHBondContact N-OD1 3.24Å; T1035-N1038 PolarHBondContact O-N 3.12Å; T1035-N1038 VanDerWaalsContact O-N 3.14Å; T1035-N1038 PolarHBondContact O-OD1 3.08Å; T1035-N1038 VanDerWaalsContact OG1-CB 3.29Å; T1035-N1038 WeakPolarHBondContact OG1-CB 3.4Å; T1035-N1038 PolarHBondContact OG1-N 3.25Å; T1035-N1038 VanDerWaalsContact OG1-N 3.11Å; T1035-N1038 PolarHBondContact OG1-ND2 3.12Å; T1035-N1038 VanDerWaalsContact OG1-ND2 3.11Å; T1035-N1038 PolarHBondContact OG1-OD1 3.16Å; T1035-N1038 VanDerWaalsContact OG1-OD1 3.07Å; N1038-A1041 PolarHBondContact O-N 3.17Å; N1038-W1042 PolarHBondContact O-N 3.21Å; N1038-W1042 VanDerWaalsContact O-N 3.09Å; N1038-V1208 HydrophobicContact CB-CB 4.12Å; N1038-V1208 HydrophobicContact CB-CG1 4.16Å; N1038-V1208 HydrophobicContact CB-CG2 4.17Å; N1038-V1208 VanDerWaalsContact OD1-CB 3.27Å; N1038-V1208 WeakPolarHBondContact OD1-CB 3.46Å; N1038-V1208 WeakPolarHBondContact OD1-CG1 3.2Å; N1038-V1208 WeakPolarHBondContact OD1-CG2 3.32Å |
| 1039 | K | 92.2 | Very high | 91.6 | Very high | 36 Ų | 36 | 42.1 Ų | 42.1 | 16% | 0.157 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.1 | -52.6 | 170.9 | -178.3 | 170.2 | -173.5 | 158.2 | 0 | 112.2 | Q1034 T1035 A1041 W1042 E1043 V1208 N1211 | Q1034-K1039 HydrophobicContact CG-CB 4.15Å; Q1034-K1039 HydrophobicContact CG-CD 4.25Å; Q1034-K1039 VanDerWaalsContact OE1-CD 3.28Å; T1035-K1039 WeakPolarHBondContact O-CB 3.35Å; T1035-K1039 PolarHBondContact O-N 3.16Å; T1035-K1039 VanDerWaalsContact O-N 3.11Å; K1039-A1041 VanDerWaalsContact C-N 3.27Å; K1039-A1041 PolarHBondContact O-N 3.13Å; K1039-W1042 WeakPolarHBondContact O-CB 3.24Å; K1039-W1042 PolarHBondContact O-N 2.99Å; K1039-W1042 VanDerWaalsContact O-N 3.11Å; K1039-E1043 WeakPolarHBondContact CE-OE1 3.3Å; K1039-E1043 WeakPolarHBondContact CE-OE2 3.4Å; K1039-E1043 HydrophobicContact CG-CG 4.35Å; K1039-E1043 WeakPolarHBondContact CG-OE1 3.39Å; K1039-E1043 IonicContact NZ-OE1 2.64Å; K1039-E1043 WeakPolarHBondContact O-CG 3.32Å; K1039-E1043 PolarHBondContact O-N 3.16Å; K1039-V1208 HydrophobicContact CB-CG1 4.05Å; K1039-N1211 PolarHBondContact NZ-OD1 3.2Å |
| 1040 | L | 93 | Very high | 91.8 | Very high | 56.6 Ų | 56.6 | 41.1 Ų | 41.1 | 30% | 0.296 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.6 | -34 | 179.1 | -73.5 | 171.8 | 0 | 0 | 0 | 112.3 | I742 T746 Q1036 G1037 H1044 | I742-L1040 HydrophobicContact CG2-CD1 3.89Å; T746-L1040 HydrophobicContact CG2-CB 4.17Å; Q1036-L1040 HydrophobicContact CG-CD1 4.08Å; Q1036-L1040 WeakPolarHBondContact O-CB 3.38Å; Q1036-L1040 WeakPolarHBondContact O-CD1 3.37Å; Q1036-L1040 VanDerWaalsContact O-CG 3.29Å; Q1036-L1040 WeakPolarHBondContact O-CG 3.42Å; Q1036-L1040 PolarHBondContact O-N 3.1Å; Q1036-L1040 VanDerWaalsContact O-N 3.11Å; G1037-L1040 PolarHBondContact O-N 3.31Å; L1040-H1044 WeakPolarHBondContact O-CB 3.36Å; L1040-H1044 PolarHBondContact O-N 3.15Å |
| 1041 | A | 94.8 | Very high | 91.9 | Very high | 8.4 Ų | 8.4 | 41.9 Ų | 41.9 | 7% | 0.069 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.4 | -41 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T746 F749 G1037 N1038 K1039 T1045 F1201 | T746-A1041 HydrophobicContact CG2-CB 4.28Å; F749-A1041 HydrophobicContact CB-CB 3.41Å; F749-A1041 VanDerWaalsContact CB-CB 3.41Å; F749-A1041 HydrophobicContact CD2-CB 4.2Å; F749-A1041 HydrophobicContact CG-CB 4.07Å; G1037-A1041 VanDerWaalsContact O-CB 3.31Å; G1037-A1041 WeakPolarHBondContact O-CB 3.34Å; G1037-A1041 PolarHBondContact O-N 3.02Å; N1038-A1041 PolarHBondContact O-N 3.17Å; K1039-A1041 VanDerWaalsContact C-N 3.27Å; K1039-A1041 PolarHBondContact O-N 3.13Å; A1041-T1045 VanDerWaalsContact O-CB 3.26Å; A1041-T1045 WeakPolarHBondContact O-CB 3.35Å; A1041-T1045 PolarHBondContact O-N 3.09Å; A1041-T1045 VanDerWaalsContact O-N 3.12Å; A1041-T1045 PolarHBondContact O-OG1 2.97Å; A1041-F1201 HydrophobicContact CB-CZ 4.47Å |
| 1042 | W | 95.9 | Very high | 92.1 | Very high | 0.2 Ų | 0.2 | 42.1 Ų | 42.1 | 0% | 0.001 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.3 | -51.3 | 175.4 | -168.6 | 95 | 0 | 0 | 0 | 111.3 | N1038 K1039 H1044 T1045 Y1046 L1202 L1205 G1206 V1208 A1209 P1328 V1329 F1332 | N1038-W1042 PolarHBondContact O-N 3.21Å; N1038-W1042 VanDerWaalsContact O-N 3.09Å; K1039-W1042 WeakPolarHBondContact O-CB 3.24Å; K1039-W1042 PolarHBondContact O-N 2.99Å; K1039-W1042 VanDerWaalsContact O-N 3.11Å; W1042-H1044 PolarHBondContact O-N 3.09Å; W1042-T1045 PolarHBondContact O-N 3.07Å; W1042-Y1046 HydrophobicContact CH2-CD1 4.25Å; W1042-Y1046 HydrophobicContact CH2-CD2 4.49Å; W1042-Y1046 HydrophobicContact CH2-CG 4.16Å; W1042-Y1046 AromaticContact CZ3-CD1 3.91Å; W1042-Y1046 HydrophobicContact CZ3-CD1 4.1Å; W1042-Y1046 HydrophobicContact CZ3-CG 4.16Å; W1042-Y1046 WeakPolarHBondContact O-CB 3.38Å; W1042-Y1046 PolarHBondContact O-N 3.35Å; W1042-L1202 HydrophobicContact CD2-CD2 3.91Å; W1042-L1202 HydrophobicContact CG-CD2 3.91Å; W1042-L1202 HydrophobicContact CZ2-CD2 4.25Å; W1042-L1202 PolarHBondContact NE1-O 3.01Å; W1042-L1202 WeakPolarHBondContact O-CD2 3.35Å; W1042-L1205 HydrophobicContact CB-CD2 3.84Å; W1042-L1205 HydrophobicContact CG-CD2 4.25Å; W1042-G1206 VanDerWaalsContact NE1-CA 3.31Å; W1042-V1208 HydrophobicContact CB-CG2 4.26Å; W1042-A1209 HydrophobicContact CD2-CB 3.71Å; W1042-A1209 HydrophobicContact CE3-CB 3.5Å; W1042-A1209 VanDerWaalsContact CE3-CB 3.46Å; W1042-A1209 HydrophobicContact CG-CB 4.24Å; W1042-A1209 HydrophobicContact CH2-CB 4.41Å; W1042-A1209 HydrophobicContact CZ3-CB 3.93Å; W1042-P1328 HydrophobicContact CZ3-CB 4.12Å; W1042-P1328 HydrophobicContact CZ3-CG 4.41Å; W1042-V1329 HydrophobicContact CH2-CB 4.46Å; W1042-V1329 HydrophobicContact CH2-CG2 4.09Å; W1042-V1329 HydrophobicContact CZ2-CG2 4.19Å; W1042-V1329 HydrophobicContact CZ3-CG2 4.4Å; W1042-F1332 HydrophobicContact CH2-CB 3.86Å; W1042-F1332 HydrophobicContact CH2-CG 4.33Å; W1042-F1332 HydrophobicContact CZ2-CB 4Å; W1042-F1332 AromaticContact CZ2-CD1 3.88Å; W1042-F1332 HydrophobicContact CZ2-CD1 3.88Å; W1042-F1332 AromaticContact CZ2-CG 3.95Å; W1042-F1332 HydrophobicContact CZ2-CG 4Å |
| 1043 | E | 93.8 | Very high | 92.6 | Very high | 65.4 Ų | 65.4 | 39.2 Ų | 39.2 | 31% | 0.306 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.4 | -44.4 | 179.4 | -69.8 | 173.5 | 166.2 | 0 | 0 | 112.1 | K1039 Y1046 M1047 | K1039-E1043 WeakPolarHBondContact CE-OE1 3.3Å; K1039-E1043 WeakPolarHBondContact CE-OE2 3.4Å; K1039-E1043 HydrophobicContact CG-CG 4.35Å; K1039-E1043 WeakPolarHBondContact CG-OE1 3.39Å; K1039-E1043 IonicContact NZ-OE1 2.64Å; K1039-E1043 WeakPolarHBondContact O-CG 3.32Å; K1039-E1043 PolarHBondContact O-N 3.16Å; E1043-Y1046 PolarHBondContact O-N 3.3Å; E1043-M1047 VanDerWaalsContact O-CG 3.31Å; E1043-M1047 WeakPolarHBondContact O-CG 3.37Å; E1043-M1047 PolarHBondContact O-N 3.23Å; E1043-M1047 VanDerWaalsContact O-N 3.1Å |
| 1044 | H | 93.3 | Very high | 93 | Very high | 64.8 Ų | 64.8 | 39.7 Ų | 39.7 | 30% | 0.3 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.9 | -42.3 | 176.9 | -177 | -111.8 | 0 | 0 | 0 | 112.1 | I601 L1040 W1042 Y1046 M1047 I1048 Y1170 | I601-H1044 VanDerWaalsContact CG2-CE1 3.48Å; I601-H1044 WeakPolarHBondContact CG2-CE1 3.31Å; I601-H1044 PolarHBondContact O-CE1 3.31Å; L1040-H1044 WeakPolarHBondContact O-CB 3.36Å; L1040-H1044 PolarHBondContact O-N 3.15Å; W1042-H1044 PolarHBondContact O-N 3.09Å; H1044-Y1046 PolarHBondContact O-N 3.26Å; H1044-M1047 PolarHBondContact O-N 3.09Å; H1044-I1048 WeakPolarHBondContact O-CG1 3.44Å; H1044-I1048 PolarHBondContact O-N 3.22Å; H1044-I1048 VanDerWaalsContact O-N 3.11Å; H1044-Y1170 AromaticContact NE2-CE1 3.82Å |
| 1045 | T | 95.9 | Very high | 93.1 | Very high | 5.2 Ų | 5.2 | 38.8 Ų | 38.8 | 3% | 0.032 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66 | -39 | 177.5 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | W753 A1041 W1042 M1047 I1048 W1049 M1198 F1201 L1202 | W753-T1045 HydrophobicContact CD2-CG2 4.47Å; W753-T1045 HydrophobicContact CZ2-CG2 3.89Å; W753-T1045 PolarHBondContact NE1-OG1 3.19Å; W753-T1045 VanDerWaalsContact NE1-OG1 3.09Å; A1041-T1045 VanDerWaalsContact O-CB 3.26Å; A1041-T1045 WeakPolarHBondContact O-CB 3.35Å; A1041-T1045 PolarHBondContact O-N 3.09Å; A1041-T1045 VanDerWaalsContact O-N 3.12Å; A1041-T1045 PolarHBondContact O-OG1 2.97Å; W1042-T1045 PolarHBondContact O-N 3.07Å; T1045-M1047 VanDerWaalsContact C-N 3.33Å; T1045-M1047 PolarHBondContact O-N 3Å; T1045-I1048 PolarHBondContact O-N 3.14Å; T1045-I1048 VanDerWaalsContact O-N 3.14Å; T1045-W1049 VanDerWaalsContact O-CB 3.3Å; T1045-W1049 WeakPolarHBondContact O-CB 3.39Å; T1045-W1049 PolarHBondContact O-N 3.32Å; T1045-M1198 HydrophobicContact CG2-CB 4.09Å; T1045-M1198 HydrophobicContact CG2-CG 3.84Å; T1045-M1198 HydrophobicContact CG2-SD 4.19Å; T1045-F1201 HydrophobicContact CG2-CD1 3.82Å; T1045-F1201 HydrophobicContact CG2-CE1 4.15Å; T1045-F1201 WeakPolarHBondContact OG1-CE1 3.46Å; T1045-L1202 HydrophobicContact CG2-CD1 4.35Å; T1045-L1202 HydrophobicContact CG2-CD2 4.08Å; T1045-L1202 HydrophobicContact CG2-CG 4.07Å |
| 1046 | Y | 96.1 | Very high | 93.2 | Very high | 13.2 Ų | 13.2 | 37.9 Ų | 37.9 | 5% | 0.052 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.5 | -41.4 | 174.8 | 179.1 | -127.6 | 0 | 0 | 0 | 111.8 | W1042 E1043 H1044 I1048 W1049 L1050 L1202 Q1331 F1332 N1335 | W1042-Y1046 HydrophobicContact CH2-CD1 4.25Å; W1042-Y1046 HydrophobicContact CH2-CD2 4.49Å; W1042-Y1046 HydrophobicContact CH2-CG 4.16Å; W1042-Y1046 AromaticContact CZ3-CD1 3.91Å; W1042-Y1046 HydrophobicContact CZ3-CD1 4.1Å; W1042-Y1046 HydrophobicContact CZ3-CG 4.16Å; W1042-Y1046 WeakPolarHBondContact O-CB 3.38Å; W1042-Y1046 PolarHBondContact O-N 3.35Å; E1043-Y1046 PolarHBondContact O-N 3.3Å; H1044-Y1046 PolarHBondContact O-N 3.26Å; Y1046-I1048 VanDerWaalsContact C-N 3.31Å; Y1046-I1048 PolarHBondContact O-N 3.26Å; Y1046-W1049 AromaticContact CD2-CE3 3.94Å; Y1046-W1049 HydrophobicContact CD2-CE3 3.94Å; Y1046-W1049 HydrophobicContact CD2-CZ3 4.44Å; Y1046-W1049 AromaticContact CE2-CE3 3.92Å; Y1046-W1049 HydrophobicContact CE2-CE3 3.94Å; Y1046-W1049 AromaticContact CE2-CZ3 3.98Å; Y1046-W1049 HydrophobicContact CE2-CZ3 4.03Å; Y1046-W1049 PolarHBondContact O-N 3.04Å; Y1046-L1050 HydrophobicContact CD1-CD1 4.21Å; Y1046-L1050 HydrophobicContact CD2-CD1 4.42Å; Y1046-L1050 HydrophobicContact CD2-CG 4.19Å; Y1046-L1050 HydrophobicContact CE1-CD1 3.85Å; Y1046-L1050 HydrophobicContact CE1-CG 4.47Å; Y1046-L1050 HydrophobicContact CE2-CD1 4.05Å; Y1046-L1050 HydrophobicContact CE2-CD2 3.98Å; Y1046-L1050 HydrophobicContact CE2-CG 3.86Å; Y1046-L1050 HydrophobicContact CG-CD1 4.47Å; Y1046-L1050 WeakPolarHBondContact O-CB 3.3Å; Y1046-L1050 WeakPolarHBondContact O-CG 3.43Å; Y1046-L1050 PolarHBondContact O-N 3.05Å; Y1046-L1202 HydrophobicContact CD2-CD1 4.4Å; Y1046-Q1331 VanDerWaalsContact OH-C 3.28Å; Y1046-Q1331 WeakPolarHBondContact OH-CG 3.33Å; Y1046-Q1331 PolarHBondContact OH-O 3.27Å; Y1046-Q1331 PolarHBondContact OH-OE1 2.93Å; Y1046-F1332 HydrophobicContact CD2-CB 4.11Å; Y1046-F1332 AromaticContact CD2-CD2 3.79Å; Y1046-F1332 HydrophobicContact CD2-CD2 3.79Å; Y1046-F1332 HydrophobicContact CD2-CG 4.28Å; Y1046-F1332 HydrophobicContact CE2-CB 3.64Å; Y1046-F1332 AromaticContact CE2-CD2 3.72Å; Y1046-F1332 HydrophobicContact CE2-CD2 3.72Å; Y1046-F1332 HydrophobicContact CE2-CG 4.13Å; Y1046-F1332 PolarHBondContact OH-N 3.19Å; Y1046-N1335 PolarHBondContact OH-ND2 3.12Å; Y1046-N1335 VanDerWaalsContact OH-ND2 3.1Å |
| 1047 | M | 93.9 | Very high | 93.2 | Very high | 98.4 Ų | 98.4 | 35.4 Ų | 35.4 | 49% | 0.485 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -68.3 | -24.5 | 175.9 | -71.6 | -67.6 | -93.2 | 0 | 0 | 114.1 | E1043 H1044 T1045 L1050 R1051 V1113 | E1043-M1047 VanDerWaalsContact O-CG 3.31Å; E1043-M1047 WeakPolarHBondContact O-CG 3.37Å; E1043-M1047 PolarHBondContact O-N 3.23Å; E1043-M1047 VanDerWaalsContact O-N 3.1Å; H1044-M1047 PolarHBondContact O-N 3.09Å; T1045-M1047 VanDerWaalsContact C-N 3.33Å; T1045-M1047 PolarHBondContact O-N 3Å; M1047-L1050 HydrophobicContact SD-CD1 4.25Å; M1047-R1051 WeakPolarHBondContact O-CD 3.4Å; M1047-R1051 WeakPolarHBondContact O-CG 3.38Å; M1047-R1051 PolarHBondContact O-N 3.01Å; M1047-R1051 PolarHBondContact O-NE 3.15Å; M1047-R1051 PolarHBondContact O-NH1 3.14Å; M1047-V1113 HydrophobicContact CE-CG1 4.31Å |
| 1048 | I | 93.7 | Very high | 93 | Very high | 23.4 Ų | 23.4 | 39.2 Ų | 39.2 | 12% | 0.12 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -78.6 | -48.7 | 168.8 | -62.5 | 170.8 | 0 | 0 | 0 | 109.7 | W753 H1044 T1045 Y1046 L1050 R1051 S1052 Y1170 M1198 | W753-I1048 HydrophobicContact CH2-CD1 3.91Å; W753-I1048 HydrophobicContact CH2-CG2 4.28Å; W753-I1048 HydrophobicContact CZ2-CD1 4.1Å; H1044-I1048 WeakPolarHBondContact O-CG1 3.44Å; H1044-I1048 PolarHBondContact O-N 3.22Å; H1044-I1048 VanDerWaalsContact O-N 3.11Å; T1045-I1048 PolarHBondContact O-N 3.14Å; T1045-I1048 VanDerWaalsContact O-N 3.14Å; Y1046-I1048 VanDerWaalsContact C-N 3.31Å; Y1046-I1048 PolarHBondContact O-N 3.26Å; I1048-L1050 VanDerWaalsContact C-N 3.33Å; I1048-L1050 PolarHBondContact O-N 3.12Å; I1048-R1051 WeakPolarHBondContact O-CA 3.36Å; I1048-R1051 WeakPolarHBondContact O-CB 3.41Å; I1048-R1051 PolarHBondContact O-N 3.33Å; I1048-S1052 PolarHBondContact O-N 3.24Å; I1048-S1052 PolarHBondContact O-OG 3.06Å; I1048-Y1170 HydrophobicContact CD1-CD1 3.86Å; I1048-Y1170 HydrophobicContact CD1-CE1 4.15Å; I1048-Y1170 HydrophobicContact CG1-CD1 3.89Å; I1048-Y1170 HydrophobicContact CG1-CE1 4.39Å; I1048-M1198 HydrophobicContact CB-SD 3.98Å; I1048-M1198 HydrophobicContact CG2-CE 4.02Å; I1048-M1198 HydrophobicContact CG2-SD 3.57Å; I1048-M1198 VanDerWaalsContact CG2-SD 3.56Å |
| 1049 | W | 96.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -53.8 | -45.6 | 179.6 | 179.1 | 88.5 | 0 | 0 | 0 | 112.3 | T1045 Y1046 R1051 S1052 T1053 W1195 M1198 T1199 L1202 F1332 N1335 L1336 L1339 | T1045-W1049 VanDerWaalsContact O-CB 3.3Å; T1045-W1049 WeakPolarHBondContact O-CB 3.39Å; T1045-W1049 PolarHBondContact O-N 3.32Å; Y1046-W1049 AromaticContact CD2-CE3 3.94Å; Y1046-W1049 HydrophobicContact CD2-CE3 3.94Å; Y1046-W1049 HydrophobicContact CD2-CZ3 4.44Å; Y1046-W1049 AromaticContact CE2-CE3 3.92Å; Y1046-W1049 HydrophobicContact CE2-CE3 3.94Å; Y1046-W1049 AromaticContact CE2-CZ3 3.98Å; Y1046-W1049 HydrophobicContact CE2-CZ3 4.03Å; Y1046-W1049 PolarHBondContact O-N 3.04Å; W1049-R1051 VanDerWaalsContact C-N 3.28Å; W1049-R1051 PolarHBondContact O-N 3.19Å; W1049-S1052 CarbonylContact O-C 3.5Å; W1049-S1052 PolarHBondContact O-N 3.18Å; W1049-S1052 VanDerWaalsContact O-N 3.1Å; W1049-T1053 HydrophobicContact CH2-CG2 4.39Å; W1049-T1053 VanDerWaalsContact O-CB 3.27Å; W1049-T1053 WeakPolarHBondContact O-CB 3.34Å; W1049-T1053 PolarHBondContact O-N 3.2Å; W1049-T1053 PolarHBondContact O-OG1 3.24Å; W1049-W1195 AromaticContact CD1-CD1 3.69Å; W1049-W1195 AromaticContact CD1-NE1 3.58Å; W1049-W1195 AromaticContact CE2-NE1 3.65Å; W1049-W1195 HydrophobicContact CZ2-CZ2 4.21Å; W1049-W1195 AromaticContact NE1-CD1 3.75Å; W1049-W1195 AromaticContact NE1-CE2 3.57Å; W1049-W1195 AromaticContact NE1-CZ2 3.93Å; W1049-W1195 AromaticContact NE1-NE1 3.15Å; W1049-W1195 VanDerWaalsContact NE1-NE1 3.15Å; W1049-M1198 HydrophobicContact CB-CB 4.43Å; W1049-M1198 HydrophobicContact CB-SD 4.34Å; W1049-T1199 PolarHBondContact NE1-OG1 3.23Å; W1049-L1202 HydrophobicContact CB-CD1 3.7Å; W1049-L1202 HydrophobicContact CD2-CD1 4.25Å; W1049-L1202 HydrophobicContact CG-CD1 3.75Å; W1049-F1332 HydrophobicContact CD2-CE2 4.28Å; W1049-F1332 HydrophobicContact CE3-CD2 4.26Å; W1049-F1332 HydrophobicContact CE3-CE2 4.34Å; W1049-F1332 HydrophobicContact CH2-CD2 4.35Å; W1049-F1332 HydrophobicContact CH2-CE2 4.3Å; W1049-F1332 HydrophobicContact CZ2-CE2 4.22Å; W1049-F1332 AromaticContact CZ3-CD2 3.97Å; W1049-F1332 HydrophobicContact CZ3-CD2 4.1Å; W1049-F1332 HydrophobicContact CZ3-CE2 4.35Å; W1049-N1335 HydrophobicContact CH2-CB 4.1Å; W1049-N1335 HydrophobicContact CZ3-CB 4.1Å; W1049-L1336 HydrophobicContact CH2-CD2 3.92Å; W1049-L1336 HydrophobicContact CH2-CG 4.47Å; W1049-L1336 HydrophobicContact CZ2-CD2 3.52Å; W1049-L1336 VanDerWaalsContact CZ2-CD2 3.49Å; W1049-L1336 HydrophobicContact CZ2-CG 4.47Å; W1049-L1339 HydrophobicContact CH2-CD1 3.75Å; W1049-L1339 HydrophobicContact CZ2-CD1 3.61Å |
| 1050 | L | 95.1 | Very high | 91.5 | Very high | 38.8 Ų | 38.8 | 43 Ų | 43 | 20% | 0.203 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.9 | -39.3 | 175 | -76.2 | 171.5 | 0 | 0 | 0 | 112.8 | Y1046 M1047 I1048 K1054 | Y1046-L1050 HydrophobicContact CD1-CD1 4.21Å; Y1046-L1050 HydrophobicContact CD2-CD1 4.42Å; Y1046-L1050 HydrophobicContact CD2-CG 4.19Å; Y1046-L1050 HydrophobicContact CE1-CD1 3.85Å; Y1046-L1050 HydrophobicContact CE1-CG 4.47Å; Y1046-L1050 HydrophobicContact CE2-CD1 4.05Å; Y1046-L1050 HydrophobicContact CE2-CD2 3.98Å; Y1046-L1050 HydrophobicContact CE2-CG 3.86Å; Y1046-L1050 HydrophobicContact CG-CD1 4.47Å; Y1046-L1050 WeakPolarHBondContact O-CB 3.3Å; Y1046-L1050 WeakPolarHBondContact O-CG 3.43Å; Y1046-L1050 PolarHBondContact O-N 3.05Å; M1047-L1050 HydrophobicContact SD-CD1 4.25Å; I1048-L1050 VanDerWaalsContact C-N 3.33Å; I1048-L1050 PolarHBondContact O-N 3.12Å; L1050-K1054 WeakPolarHBondContact O-CB 3.36Å; L1050-K1054 WeakPolarHBondContact O-CG 3.42Å; L1050-K1054 PolarHBondContact O-N 3.18Å; L1050-K1054 VanDerWaalsContact O-N 3.08Å |
| 1051 | R | 92.7 | Very high | 89.8 | Confident | 102.6 Ų | 102.6 | 48.6 Ų | 48.6 | 39% | 0.387 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -72.7 | -42 | 179.1 | -135.9 | 177.7 | -105.8 | 121.3 | 4.7 | 111.6 | M1047 I1048 W1049 T1053 K1054 F1055 Y1170 L1171 | M1047-R1051 WeakPolarHBondContact O-CD 3.4Å; M1047-R1051 WeakPolarHBondContact O-CG 3.38Å; M1047-R1051 PolarHBondContact O-N 3.01Å; M1047-R1051 PolarHBondContact O-NE 3.15Å; M1047-R1051 PolarHBondContact O-NH1 3.14Å; I1048-R1051 WeakPolarHBondContact O-CA 3.36Å; I1048-R1051 WeakPolarHBondContact O-CB 3.41Å; I1048-R1051 PolarHBondContact O-N 3.33Å; W1049-R1051 VanDerWaalsContact C-N 3.28Å; W1049-R1051 PolarHBondContact O-N 3.19Å; R1051-T1053 VanDerWaalsContact C-N 3.34Å; R1051-K1054 PolarHBondContact O-N 3.29Å; R1051-F1055 WeakPolarHBondContact O-CB 3.36Å; R1051-F1055 PolarHBondContact O-N 3.1Å; R1051-F1055 VanDerWaalsContact O-N 3.1Å; R1051-Y1170 VanDerWaalsContact NH1-CD2 3.34Å; R1051-Y1170 PolarHBondContact NH1-OH 3.11Å; R1051-L1171 HydrophobicContact CG-CD1 4.18Å |
| 1052 | S | 92.6 | Very high | 87.4 | Confident | 5.4 Ų | 5.4 | 53.3 Ų | 53.3 | 4% | 0.038 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 175.1 | -61.9 | 0 | 0 | 0 | 0 | 111.8 | I1048 W1049 F1055 L1056 | I1048-S1052 PolarHBondContact O-N 3.24Å; I1048-S1052 PolarHBondContact O-OG 3.06Å; W1049-S1052 CarbonylContact O-C 3.5Å; W1049-S1052 PolarHBondContact O-N 3.18Å; W1049-S1052 VanDerWaalsContact O-N 3.1Å; S1052-F1055 WeakPolarHBondContact O-CB 3.37Å; S1052-F1055 PolarHBondContact O-N 3.08Å; S1052-F1055 VanDerWaalsContact O-N 3.12Å; S1052-L1056 WeakPolarHBondContact O-CB 3.41Å; S1052-L1056 WeakPolarHBondContact O-CG 3.38Å; S1052-L1056 PolarHBondContact O-N 3.07Å |
| 1053 | T | 93.8 | Very high | 84.5 | Confident | 10.6 Ų | 10.6 | 62.8 Ų | 62.8 | 7% | 0.065 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.3 | -50.9 | 172.6 | -57.6 | 0 | 0 | 0 | 0 | 110.9 | W1049 R1051 F1055 L1056 I1057 W1195 L1339 | W1049-T1053 HydrophobicContact CH2-CG2 4.39Å; W1049-T1053 VanDerWaalsContact O-CB 3.27Å; W1049-T1053 WeakPolarHBondContact O-CB 3.34Å; W1049-T1053 PolarHBondContact O-N 3.2Å; W1049-T1053 PolarHBondContact O-OG1 3.24Å; R1051-T1053 VanDerWaalsContact C-N 3.34Å; T1053-F1055 VanDerWaalsContact C-N 3.27Å; T1053-F1055 PolarHBondContact O-N 3.12Å; T1053-L1056 PolarHBondContact O-N 3.14Å; T1053-I1057 HydrophobicContact CG2-CD1 3.64Å; T1053-I1057 HydrophobicContact CG2-CG1 4.45Å; T1053-I1057 WeakPolarHBondContact O-CB 3.37Å; T1053-I1057 WeakPolarHBondContact O-CD1 3.38Å; T1053-I1057 VanDerWaalsContact O-CG1 3.29Å; T1053-I1057 WeakPolarHBondContact O-CG1 3.43Å; T1053-I1057 PolarHBondContact O-N 3.13Å; T1053-I1057 VanDerWaalsContact O-N 3.11Å; T1053-W1195 PolarHBondContact OG1-NE1 3.11Å; T1053-L1339 HydrophobicContact CG2-CD1 4.01Å; T1053-L1339 HydrophobicContact CG2-CD2 4Å; T1053-L1339 HydrophobicContact CG2-CG 4.49Å |
| 1054 | K | 91.6 | Very high | 81.7 | Confident | 92.6 Ų | 92.6 | 64.1 Ų | 64.1 | 40% | 0.403 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.1 | -27.4 | 176.3 | -137 | 176.6 | -180 | -178.3 | 0 | 113.1 | L1050 R1051 N1058 I1109 S1110 D1114 | L1050-K1054 WeakPolarHBondContact O-CB 3.36Å; L1050-K1054 WeakPolarHBondContact O-CG 3.42Å; L1050-K1054 PolarHBondContact O-N 3.18Å; L1050-K1054 VanDerWaalsContact O-N 3.08Å; R1051-K1054 PolarHBondContact O-N 3.29Å; K1054-N1058 WeakPolarHBondContact O-CB 3.23Å; K1054-N1058 PolarHBondContact O-ND2 3.11Å; K1054-I1109 PolarHBondContact NZ-O 3.05Å; K1054-S1110 PolarHBondContact NZ-O 3.1Å; K1054-D1114 IonicContact NZ-OD2 3.33Å; K1054-D1114 PolarHBondContact NZ-OD2 3.17Å |
| 1055 | F | 89.7 | Confident | 78.7 | Confident | 67.2 Ų | 67.2 | 66.3 Ų | 66.3 | 30% | 0.295 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -74.5 | -49 | 174 | 176 | -110.7 | 0 | 0 | 0 | 112.2 | R1051 S1052 T1053 I1057 N1058 Y1059 L1171 A1172 V1173 R1175 I1188 V1191 | R1051-F1055 WeakPolarHBondContact O-CB 3.36Å; R1051-F1055 PolarHBondContact O-N 3.1Å; R1051-F1055 VanDerWaalsContact O-N 3.1Å; S1052-F1055 WeakPolarHBondContact O-CB 3.37Å; S1052-F1055 PolarHBondContact O-N 3.08Å; S1052-F1055 VanDerWaalsContact O-N 3.12Å; T1053-F1055 VanDerWaalsContact C-N 3.27Å; T1053-F1055 PolarHBondContact O-N 3.12Å; F1055-I1057 VanDerWaalsContact C-N 3.33Å; F1055-I1057 PolarHBondContact O-N 3.2Å; F1055-N1058 CarbonylContact O-C 3.57Å; F1055-N1058 PolarHBondContact O-N 3.28Å; F1055-Y1059 HydrophobicContact CE1-CD2 4.44Å; F1055-Y1059 HydrophobicContact CE2-CD2 4.35Å; F1055-Y1059 AromaticContact CZ-CD2 3.89Å; F1055-Y1059 HydrophobicContact CZ-CD2 4.1Å; F1055-Y1059 HydrophobicContact CZ-CE2 4.36Å; F1055-Y1059 PolarHBondContact O-N 3.11Å; F1055-L1171 HydrophobicContact CB-CD1 3.83Å; F1055-L1171 HydrophobicContact CD1-CD1 3.89Å; F1055-L1171 HydrophobicContact CD2-CD1 4.35Å; F1055-L1171 HydrophobicContact CG-CD1 3.77Å; F1055-A1172 HydrophobicContact CE1-CB 4.15Å; F1055-V1173 HydrophobicContact CB-CG1 3.74Å; F1055-V1173 HydrophobicContact CB-CG2 3.95Å; F1055-V1173 HydrophobicContact CD1-CG2 3.83Å; F1055-V1173 HydrophobicContact CD2-CG1 3.96Å; F1055-V1173 HydrophobicContact CD2-CG2 4.3Å; F1055-V1173 HydrophobicContact CE1-CG2 4.36Å; F1055-V1173 HydrophobicContact CG-CB 4.47Å; F1055-V1173 HydrophobicContact CG-CG1 3.95Å; F1055-V1173 HydrophobicContact CG-CG2 3.78Å; F1055-R1175 VanDerWaalsContact CE2-NH2 3.26Å; F1055-I1188 HydrophobicContact CD1-CD1 4.3Å; F1055-I1188 HydrophobicContact CE1-CD1 3.49Å; F1055-I1188 VanDerWaalsContact CE1-CD1 3.47Å; F1055-I1188 HydrophobicContact CZ-CD1 4.13Å; F1055-V1191 HydrophobicContact CD1-CG1 4.01Å; F1055-V1191 HydrophobicContact CE1-CG1 4.13Å |
| 1056 | L | 90.6 | Very high | 75.8 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.3 | -37.5 | -178.2 | -73.5 | 167.9 | 0 | 0 | 0 | 113.2 | S1052 T1053 N1058 Y1059 I1188 V1191 L1192 W1195 H1344 F1347 | S1052-L1056 WeakPolarHBondContact O-CB 3.41Å; S1052-L1056 WeakPolarHBondContact O-CG 3.38Å; S1052-L1056 PolarHBondContact O-N 3.07Å; T1053-L1056 PolarHBondContact O-N 3.14Å; L1056-N1058 VanDerWaalsContact C-N 3.25Å; L1056-N1058 PolarHBondContact O-N 3.13Å; L1056-Y1059 PolarHBondContact O-N 3Å; L1056-I1188 HydrophobicContact CD2-CD1 3.95Å; L1056-I1188 HydrophobicContact CD2-CG1 4.47Å; L1056-V1191 HydrophobicContact CD2-CG1 4.19Å; L1056-V1191 HydrophobicContact CG-CG1 4.36Å; L1056-L1192 HydrophobicContact CD1-CD1 3.94Å; L1056-L1192 HydrophobicContact CD2-CB 4.36Å; L1056-L1192 HydrophobicContact CD2-CD1 4.3Å; L1056-W1195 HydrophobicContact CD1-CB 3.75Å; L1056-W1195 HydrophobicContact CD1-CD2 3.88Å; L1056-W1195 HydrophobicContact CD1-CE3 4.39Å; L1056-W1195 HydrophobicContact CD1-CG 3.56Å; L1056-H1344 PolarHBondContact O-NE2 2.98Å; L1056-F1347 HydrophobicContact CD2-CD2 4.36Å; L1056-F1347 HydrophobicContact CD2-CE2 4.37Å |
| 1057 | I | 87.9 | Confident | 73 | Confident | 38.8 Ų | 38.8 | 77.2 Ų | 77.2 | 20% | 0.199 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -17.9 | 179 | -63.3 | 167.7 | 0 | 0 | 0 | 112.4 | T1053 F1055 L1106 L1339 H1344 | T1053-I1057 HydrophobicContact CG2-CD1 3.64Å; T1053-I1057 HydrophobicContact CG2-CG1 4.45Å; T1053-I1057 WeakPolarHBondContact O-CB 3.37Å; T1053-I1057 WeakPolarHBondContact O-CD1 3.38Å; T1053-I1057 VanDerWaalsContact O-CG1 3.29Å; T1053-I1057 WeakPolarHBondContact O-CG1 3.43Å; T1053-I1057 PolarHBondContact O-N 3.13Å; T1053-I1057 VanDerWaalsContact O-N 3.11Å; F1055-I1057 VanDerWaalsContact C-N 3.33Å; F1055-I1057 PolarHBondContact O-N 3.2Å; I1057-L1106 HydrophobicContact CD1-CD1 4.27Å; I1057-L1106 HydrophobicContact CD1-CD2 4.32Å; I1057-L1106 HydrophobicContact CG2-CD1 3.89Å; I1057-L1106 HydrophobicContact CG2-CD2 4.47Å; I1057-L1339 HydrophobicContact CD1-CD2 3.63Å; I1057-L1339 HydrophobicContact CG1-CD2 4.44Å; I1057-H1344 PolarHBondContact O-CD2 3.09Å; I1057-H1344 VanDerWaalsContact O-CD2 3.26Å |
| 1058 | N | 86.7 | Confident | 70 | Confident | 89.8 Ų | 89.8 | 77.8 Ų | 77.8 | 48% | 0.48 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | 21.5 | -179.4 | -71.7 | -75.3 | 0 | 0 | 0 | 112.2 | K1054 F1055 L1056 P1060 K1061 | K1054-N1058 WeakPolarHBondContact O-CB 3.23Å; K1054-N1058 PolarHBondContact O-ND2 3.11Å; F1055-N1058 CarbonylContact O-C 3.57Å; F1055-N1058 PolarHBondContact O-N 3.28Å; L1056-N1058 VanDerWaalsContact C-N 3.25Å; L1056-N1058 PolarHBondContact O-N 3.13Å; N1058-P1060 CarbonylContact O-C 3.56Å; N1058-K1061 WeakPolarHBondContact O-CG 3.33Å; N1058-K1061 PolarHBondContact O-N 3.08Å |
| 1059 | Y | 82.9 | Confident | 67.2 | Low | 38.6 Ų | 38.6 | 84.5 Ų | 84.5 | 15% | 0.151 | 47% | 0.47 | C | S | . | . | trans | -114.4 | 124.1 | -175.6 | -173.9 | -80 | 0 | 0 | 0 | 113.1 | F1055 L1056 V1183 I1188 H1344 K1346 F1347 | F1055-Y1059 HydrophobicContact CE1-CD2 4.44Å; F1055-Y1059 HydrophobicContact CE2-CD2 4.35Å; F1055-Y1059 AromaticContact CZ-CD2 3.89Å; F1055-Y1059 HydrophobicContact CZ-CD2 4.1Å; F1055-Y1059 HydrophobicContact CZ-CE2 4.36Å; F1055-Y1059 PolarHBondContact O-N 3.11Å; L1056-Y1059 PolarHBondContact O-N 3Å; Y1059-V1183 HydrophobicContact CE2-CB 4.23Å; Y1059-V1183 HydrophobicContact CE2-CG1 4.46Å; Y1059-V1183 HydrophobicContact CE2-CG2 4.39Å; Y1059-V1183 WeakPolarHBondContact OH-CB 3.33Å; Y1059-V1183 PolarHBondContact OH-O 3.38Å; Y1059-I1188 HydrophobicContact CD1-CD1 4.29Å; Y1059-I1188 HydrophobicContact CD1-CG1 4.07Å; Y1059-I1188 HydrophobicContact CD2-CD1 4.1Å; Y1059-I1188 HydrophobicContact CD2-CG1 4.44Å; Y1059-I1188 HydrophobicContact CE1-CB 4.44Å; Y1059-I1188 HydrophobicContact CE1-CD1 4.43Å; Y1059-I1188 HydrophobicContact CE1-CG1 4.11Å; Y1059-I1188 HydrophobicContact CE1-CG2 4.35Å; Y1059-I1188 HydrophobicContact CE2-CD1 4.24Å; Y1059-I1188 HydrophobicContact CE2-CG1 4.41Å; Y1059-I1188 HydrophobicContact CG-CD1 4.08Å; Y1059-I1188 HydrophobicContact CG-CG1 4.3Å; Y1059-H1344 PolarHBondContact O-CE1 3.07Å; Y1059-H1344 PolarHBondContact O-NE2 3.09Å; Y1059-K1346 HydrophobicContact CE1-CD 4.37Å; Y1059-F1347 AromaticContact CD1-CE2 3.73Å; Y1059-F1347 HydrophobicContact CD1-CE2 3.73Å; Y1059-F1347 HydrophobicContact CD1-CZ 4.23Å; Y1059-F1347 HydrophobicContact CE1-CE2 4.34Å; Y1059-F1347 HydrophobicContact CG-CE2 4.29Å | ||
| 1060 | P | 71.3 | Confident | 64.3 | Low | 80.8 Ų | 80.8 | 87.8 Ų | 87.8 | 53% | 0.525 | 50% | 0.504 | S | S | . | . | S | Bend | cis | -83.3 | 139.3 | -0.4 | 33.9 | -34.4 | 0 | 0 | 0 | 111.3 | N1058 S1062 | N1058-P1060 CarbonylContact O-C 3.56Å; P1060-S1062 PolarHBondContact O-N 3.02Å; P1060-S1062 VanDerWaalsContact O-N 3.12Å |
| 1061 | K | 56.9 | Low | 61.6 | Low | 174.8 Ų | 174.8 | 92.1 Ų | 92.1 | 76% | 0.76 | 53% | 0.532 | S | S | * | . | trans | -61.9 | 104.5 | 171.8 | -69.4 | -167.7 | 174 | -168.5 | 0 | 110.1 | N1058 K1063 | N1058-K1061 WeakPolarHBondContact O-CG 3.33Å; N1058-K1061 PolarHBondContact O-N 3.08Å; K1061-K1063 PolarHBondContact O-N 3.23Å; K1061-K1063 VanDerWaalsContact O-N 3.15Å | ||
| 1062 | S | 45.2 | Very low | 58.7 | Low | 106.8 Ų | 106.8 | 95.5 Ų | 95.5 | 75% | 0.747 | 55% | 0.553 | S | S | * | * | trans | -64.7 | 105.2 | -174.6 | 49.5 | 0 | 0 | 0 | 0 | 112.7 | P1060 A1064 | P1060-S1062 PolarHBondContact O-N 3.02Å; P1060-S1062 VanDerWaalsContact O-N 3.12Å; S1062-A1064 PolarHBondContact O-N 3.2Å | ||
| 1063 | K | 34.4 | Very low | 55.9 | Low | 200.6 Ų | 200.6 | 102.5 Ų | 102.5 | 87% | 0.872 | 59% | 0.59 | S | S | * | * | trans | -85.1 | 89 | 172.9 | -70.8 | -178.9 | 178.1 | 178.3 | 0 | 109.7 | K1061 S1065 | K1061-K1063 PolarHBondContact O-N 3.23Å; K1061-K1063 VanDerWaalsContact O-N 3.15Å; K1063-S1065 PolarHBondContact O-N 3.17Å; K1063-S1065 VanDerWaalsContact O-N 3.13Å | ||
| 1064 | A | 34.3 | Very low | 53.2 | Low | 91.8 Ų | 91.8 | 106.9 Ų | 106.9 | 76% | 0.759 | 62% | 0.621 | S | S | * | * | trans | -92.2 | 98.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | S1062 V1066 | S1062-A1064 PolarHBondContact O-N 3.2Å; A1064-V1066 PolarHBondContact O-N 3.33Å | ||
| 1065 | S | 30.6 | Very low | 50.3 | Low | 110.2 Ų | 110.2 | 107.2 Ų | 107.2 | 77% | 0.771 | 63% | 0.634 | S | S | * | * | trans | -67.6 | 106.1 | 173.2 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | K1063 P1067 | K1063-S1065 PolarHBondContact O-N 3.17Å; K1063-S1065 VanDerWaalsContact O-N 3.13Å; S1065-P1067 WeakPolarHBondContact O-CD 3.24Å | ||
| 1066 | V | 35.2 | Very low | 47.6 | Very low | 131.2 Ų | 131.2 | 113.8 Ų | 113.8 | 80% | 0.795 | 66% | 0.658 | S | S | * | * | trans | -86.1 | 120.2 | 155.8 | 178.9 | 0 | 0 | 0 | 0 | 107.3 | A1064 S1068 | A1064-V1066 PolarHBondContact O-N 3.33Å; V1066-S1068 PolarHBondContact O-N 3.11Å; V1066-S1068 VanDerWaalsContact O-N 3.17Å | ||
| 1067 | P | 37.3 | Very low | 44.6 | Very low | 117.6 Ų | 117.6 | 120.4 Ų | 120.4 | 76% | 0.764 | 69% | 0.693 | S | S | * | * | trans | -74.8 | 111.1 | 176.6 | 20.8 | -20.7 | 0 | 0 | 0 | 110.2 | S1065 N1069 | S1065-P1067 WeakPolarHBondContact O-CD 3.24Å; P1067-N1069 VanDerWaalsContact C-N 3.3Å; P1067-N1069 PolarHBondContact O-N 2.8Å | ||
| 1068 | S | 32 | Very low | 42.1 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | trans | -80.3 | 109.1 | 172.7 | 36.9 | 0 | 0 | 0 | 0 | 110.7 | V1066 G1070 | V1066-S1068 PolarHBondContact O-N 3.11Å; V1066-S1068 VanDerWaalsContact O-N 3.17Å; S1068-G1070 PolarHBondContact O-N 2.99Å | ||
| 1069 | N | 35 | Very low | 39.5 | Very low | 163.2 Ų | 163.2 | 125.2 Ų | 125.2 | 87% | 0.873 | 73% | 0.728 | S | S | * | * | trans | -105.9 | 141.4 | 159.7 | -92.1 | -10 | 0 | 0 | 0 | 109.9 | P1067 | P1067-N1069 VanDerWaalsContact C-N 3.3Å; P1067-N1069 PolarHBondContact O-N 2.8Å | ||
| 1070 | G | 33.5 | Very low | 37.1 | Very low | 70.2 Ų | 70.2 | 128.2 Ų | 128.2 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | trans | -22.6 | 141.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S1068 | S1068-G1070 PolarHBondContact O-N 2.99Š| ||
| 1071 | T | 39.5 | Very low | 35.3 | Very low | 129.2 Ų | 129.2 | 131.8 Ų | 131.8 | 79% | 0.793 | 77% | 0.769 | S | S | * | * | -138.1 | 136.7 | 68.3 | -49.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1072 | E | 31.6 | Very low | 34.2 | Very low | 174.4 Ų | 174.4 | 129.1 Ų | 129.1 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | trans | -23 | 148.2 | 162.6 | -60.6 | 156.5 | 146.7 | 0 | 0 | 115.6 | ||||
| 1073 | D | 33.3 | Very low | 33.6 | Very low | 152.2 Ų | 152.2 | 127.9 Ų | 127.9 | 81% | 0.814 | 77% | 0.769 | S | S | * | * | trans | 146.5 | 115.1 | 132.4 | -98.4 | -20.5 | 0 | 0 | 0 | 117.8 | ||||
| 1074 | S | 36.7 | Very low | 33.5 | Very low | 103.6 Ų | 103.6 | 125.2 Ų | 125.2 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | 68.7 | 141.5 | 127 | 106.1 | 0 | 0 | 0 | 0 | 122 | |||||
| 1075 | C | 31.3 | Very low | 33.4 | Very low | 98.8 Ų | 98.8 | 127.2 Ų | 127.2 | 67% | 0.668 | 76% | 0.763 | S | S | * | * | 91.6 | 111.1 | 125.5 | -116.2 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 1076 | Y | 32.7 | Very low | 33.4 | Very low | 206 Ų | 206 | 127.8 Ų | 127.8 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | trans | 20 | 134.9 | 145.5 | -37.2 | -70.7 | 0 | 0 | 0 | 121.4 | ||||
| 1077 | D | 29.2 | Very low | 33.3 | Very low | 138.8 Ų | 138.8 | 126.6 Ų | 126.6 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | 94.4 | 128.4 | 110 | -105.5 | 20.9 | 0 | 0 | 0 | 123 | |||||
| 1078 | T | 34.1 | Very low | 33 | Very low | 105.6 Ų | 105.6 | 126.8 Ų | 126.8 | 65% | 0.648 | 76% | 0.758 | S | S | * | * | 84.3 | 111.6 | 127.5 | -41.5 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1079 | T | 32.7 | Very low | 32.8 | Very low | 123 Ų | 123 | 128.8 Ų | 128.8 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | 70.3 | 118.6 | 147.4 | 53 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1080 | S | 33.5 | Very low | 32.6 | Very low | 102.6 Ų | 102.6 | 124.3 Ų | 124.3 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | 96.1 | 141.7 | 107.3 | 70 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1081 | N | 32.9 | Very low | 32.4 | Very low | 155.4 Ų | 155.4 | 130.3 Ų | 130.3 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | trans | 57.1 | 119.3 | 153.7 | -66.3 | -13.5 | 0 | 0 | 0 | 120.9 | ||||
| 1082 | S | 33.2 | Very low | 32 | Very low | 119.8 Ų | 119.8 | 129.1 Ų | 129.1 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | 120.1 | 133.5 | 124.6 | -102.5 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 1083 | A | 32.3 | Very low | 32 | Very low | 81.4 Ų | 81.4 | 126.2 Ų | 126.2 | 67% | 0.673 | 75% | 0.754 | S | S | * | * | trans | 70.8 | 131.7 | 133.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1084 | N | 32.5 | Very low | 31.9 | Very low | 142.8 Ų | 142.8 | 123.5 Ų | 123.5 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | trans | 79.4 | 113.2 | 146 | -60.3 | -13.4 | 0 | 0 | 0 | 121.5 | ||||
| 1085 | N | 32 | Very low | 31.5 | Very low | 135 Ų | 135 | 123.3 Ų | 123.3 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | 92.1 | 124.4 | 120.1 | -74.7 | -4.1 | 0 | 0 | 0 | 121.7 | |||||
| 1086 | T | 31.9 | Very low | 31.4 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | 68.8 | 135.5 | 136.4 | 51.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1087 | S | 31.1 | Very low | 31.2 | Very low | 104.2 Ų | 104.2 | 120.3 Ų | 120.3 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | 112.4 | 158.5 | 110.5 | 63.4 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1088 | V | 31.7 | Very low | 31.2 | Very low | 122.4 Ų | 122.4 | 121.3 Ų | 121.3 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | cis | -158.3 | 162.8 | 9.1 | -109.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1089 | N | 29.1 | Very low | 31 | Very low | 153.2 Ų | 153.2 | 122 Ų | 122 | 82% | 0.819 | 77% | 0.773 | S | S | * | * | trans | 5.5 | 144.1 | 141.5 | -65.6 | -14.5 | 0 | 0 | 0 | 118.6 | ||||
| 1090 | G | 30.3 | Very low | 30.8 | Very low | 68.6 Ų | 68.6 | 121.3 Ų | 121.3 | 71% | 0.707 | 78% | 0.78 | S | S | * | * | trans | 157.3 | 117.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1091 | F | 29.6 | Very low | 30.7 | Very low | 195.6 Ų | 195.6 | 121.5 Ų | 121.5 | 86% | 0.858 | 78% | 0.781 | S | S | * | * | -117.5 | 141.5 | 93.7 | -82 | -78.2 | 0 | 0 | 0 | 115.4 | |||||
| 1092 | S | 30.9 | Very low | 30.6 | Very low | 104.4 Ų | 104.4 | 121.1 Ų | 121.1 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | trans | 59.7 | 146.8 | 155.7 | -18.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1093 | S | 32 | Very low | 30.7 | Very low | 114.4 Ų | 114.4 | 120.9 Ų | 120.9 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | 152.4 | 149.6 | 92.3 | 54.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1094 | A | 30.5 | Very low | 30.7 | Very low | 94.2 Ų | 94.2 | 121.9 Ų | 121.9 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | trans | 83.9 | 140.7 | 149.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1095 | S | 28.5 | Very low | 30.6 | Very low | 100.8 Ų | 100.8 | 117.8 Ų | 117.8 | 71% | 0.705 | 77% | 0.767 | S | S | * | * | cis | 176.3 | 159.7 | 21.2 | 62.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 1096 | L | 28.8 | Very low | 30.6 | Very low | 170.6 Ų | 170.6 | 116.8 Ų | 116.8 | 89% | 0.893 | 76% | 0.761 | S | S | * | * | 103 | 147.9 | 115.3 | -65.3 | 142.9 | 0 | 0 | 0 | 114.2 | |||||
| 1097 | G | 29 | Very low | 30.6 | Very low | 70.8 Ų | 70.8 | 116.9 Ų | 116.9 | 73% | 0.73 | 76% | 0.757 | S | S | * | * | trans | 155.3 | 111.9 | 138 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1098 | N | 28.8 | Very low | 30.6 | Very low | 159.4 Ų | 159.4 | 116.5 Ų | 116.5 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | trans | -62.8 | 130.1 | 167.1 | -72.9 | -4.4 | 0 | 0 | 0 | 115.8 | ||||
| 1099 | S | 30.4 | Very low | 30.7 | Very low | 120.2 Ų | 120.2 | 116.3 Ų | 116.3 | 84% | 0.841 | 75% | 0.748 | S | S | * | * | trans | 174.9 | 134.9 | 134.2 | -77.6 | 0 | 0 | 0 | 0 | 113.4 | S1101 | S1099-S1101 VanDerWaalsContact C-N 3.34Å; S1099-S1101 PolarHBondContact O-N 3.28Å; S1099-S1101 VanDerWaalsContact O-N 3.17Å | ||
| 1100 | A | 28.5 | Very low | 30.7 | Very low | 108.2 Ų | 108.2 | 113 Ų | 113 | 89% | 0.894 | 74% | 0.737 | S | S | * | * | trans | -111.9 | 126.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1101 | S | 30 | Very low | 30.6 | Very low | 106.6 Ų | 106.6 | 116.4 Ų | 116.4 | 75% | 0.745 | 74% | 0.739 | S | S | * | * | trans | -137.8 | 140.2 | 170.4 | 52.8 | 0 | 0 | 0 | 0 | 111.4 | S1099 P1103 | S1099-S1101 VanDerWaalsContact C-N 3.34Å; S1099-S1101 PolarHBondContact O-N 3.28Å; S1099-S1101 VanDerWaalsContact O-N 3.17Å; S1101-P1103 WeakPolarHBondContact O-CD 3.49Å | ||
| 1102 | I | 31.9 | Very low | 30.7 | Very low | 147.8 Ų | 147.8 | 114.9 Ų | 114.9 | 76% | 0.758 | 73% | 0.734 | S | S | * | * | trans | 6.8 | 133.3 | 163.3 | -49.7 | 175.4 | 0 | 0 | 0 | 114.5 | S1104 | I1102-S1104 PolarHBondContact O-N 2.9Š| ||
| 1103 | P | 34.9 | Very low | 30.8 | Very low | 115.4 Ų | 115.4 | 115.2 Ų | 115.2 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | trans | -96.9 | 154.1 | -155.6 | 35.1 | -29.5 | 0 | 0 | 0 | 113.3 | S1101 G1105 | S1101-P1103 WeakPolarHBondContact O-CD 3.49Å; P1103-G1105 PolarHBondContact O-N 3.38Å | ||
| 1104 | S | 31.7 | Very low | 30.7 | Very low | 102.4 Ų | 102.4 | 116 Ų | 116 | 72% | 0.716 | 73% | 0.727 | S | S | * | * | trans | -74.6 | 102 | 165.9 | 52.7 | 0 | 0 | 0 | 0 | 114.1 | I1102 L1106 D1107 | I1102-S1104 PolarHBondContact O-N 2.9Å; S1104-L1106 VanDerWaalsContact C-N 3.29Å; S1104-L1106 PolarHBondContact O-N 3.08Å; S1104-D1107 PolarHBondContact O-N 3.12Å; S1104-D1107 VanDerWaalsContact O-N 3.12Å; S1104-D1107 PolarHBondContact OG-OD2 3.27Å | ||
| 1105 | G | 30.9 | Very low | 30.7 | Very low | 56.6 Ų | 56.6 | 117.8 Ų | 117.8 | 58% | 0.584 | 73% | 0.729 | S | S | * | * | trans | -106.3 | 64.4 | -148.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | P1103 D1107 S1108 | P1103-G1105 PolarHBondContact O-N 3.38Å; G1105-D1107 VanDerWaalsContact C-N 3.31Å; G1105-D1107 PolarHBondContact O-N 2.99Å; G1105-S1108 WeakPolarHBondContact O-CB 3.31Å; G1105-S1108 PolarHBondContact O-N 3.17Å; G1105-S1108 VanDerWaalsContact O-N 3.1Å | ||
| 1106 | L | 32.8 | Very low | 30.7 | Very low | 114.8 Ų | 114.8 | 117.3 Ų | 117.3 | 60% | 0.601 | 73% | 0.73 | S | S | * | * | trans | -35.7 | -0.8 | 178 | -73.3 | 167 | 0 | 0 | 0 | 113.7 | I1057 S1104 S1108 I1109 | I1057-L1106 HydrophobicContact CD1-CD1 4.27Å; I1057-L1106 HydrophobicContact CD1-CD2 4.32Å; I1057-L1106 HydrophobicContact CG2-CD1 3.89Å; I1057-L1106 HydrophobicContact CG2-CD2 4.47Å; S1104-L1106 VanDerWaalsContact C-N 3.29Å; S1104-L1106 PolarHBondContact O-N 3.08Å; L1106-S1108 VanDerWaalsContact C-N 3.29Å; L1106-S1108 PolarHBondContact O-N 3.4Å; L1106-I1109 HydrophobicContact CD2-CD1 4.23Å; L1106-I1109 WeakPolarHBondContact O-CB 3.4Å; L1106-I1109 PolarHBondContact O-N 3.21Å | ||
| 1107 | D | 30.4 | Very low | 30.8 | Very low | 123.8 Ų | 123.8 | 115.2 Ų | 115.2 | 66% | 0.662 | 73% | 0.725 | S | S | * | * | trans | -111.7 | 47.6 | 156.2 | -89.8 | -45 | 0 | 0 | 0 | 113.1 | S1104 G1105 I1109 S1110 N1111 | S1104-D1107 PolarHBondContact O-N 3.12Å; S1104-D1107 VanDerWaalsContact O-N 3.12Å; S1104-D1107 PolarHBondContact OG-OD2 3.27Å; G1105-D1107 VanDerWaalsContact C-N 3.31Å; G1105-D1107 PolarHBondContact O-N 2.99Å; D1107-I1109 VanDerWaalsContact C-N 3.28Å; D1107-I1109 PolarHBondContact O-N 3.16Å; D1107-S1110 WeakPolarHBondContact O-CA 3.38Å; D1107-S1110 WeakPolarHBondContact O-CB 3.43Å; D1107-S1110 PolarHBondContact O-N 3.18Å; D1107-N1111 PolarHBondContact O-N 3.41Å | ||
| 1108 | S | 32.8 | Very low | 30.8 | Very low | 96.8 Ų | 96.8 | 117.4 Ų | 117.4 | 68% | 0.677 | 73% | 0.728 | S | S | * | * | trans | -41.3 | 36.5 | 167.3 | -65 | 0 | 0 | 0 | 0 | 116.6 | G1105 L1106 S1110 N1111 Q1112 | G1105-S1108 WeakPolarHBondContact O-CB 3.31Å; G1105-S1108 PolarHBondContact O-N 3.17Å; G1105-S1108 VanDerWaalsContact O-N 3.1Å; L1106-S1108 VanDerWaalsContact C-N 3.29Å; L1106-S1108 PolarHBondContact O-N 3.4Å; S1108-S1110 PolarHBondContact O-N 3.13Å; S1108-N1111 PolarHBondContact O-N 2.98Å; S1108-Q1112 WeakPolarHBondContact O-CB 3.33Å; S1108-Q1112 PolarHBondContact O-N 3.39Å | ||
| 1109 | I | 32.5 | Very low | 30.7 | Very low | 118 Ų | 118 | 113.2 Ų | 113.2 | 61% | 0.605 | 72% | 0.723 | S | S | * | * | trans | -86.9 | 83.1 | 172.1 | -52.2 | 176.7 | 0 | 0 | 0 | 111.9 | K1054 L1106 D1107 V1113 L1338 | K1054-I1109 PolarHBondContact NZ-O 3.05Å; L1106-I1109 HydrophobicContact CD2-CD1 4.23Å; L1106-I1109 WeakPolarHBondContact O-CB 3.4Å; L1106-I1109 PolarHBondContact O-N 3.21Å; D1107-I1109 VanDerWaalsContact C-N 3.28Å; D1107-I1109 PolarHBondContact O-N 3.16Å; I1109-V1113 HydrophobicContact CG2-CG2 4.3Å; I1109-V1113 VanDerWaalsContact O-CG2 3.26Å; I1109-V1113 WeakPolarHBondContact O-CG2 3.31Å; I1109-L1338 HydrophobicContact CD1-CD1 4.27Å | ||
| 1110 | S | 29.1 | Very low | 30.7 | Very low | 84 Ų | 84 | 116.4 Ų | 116.4 | 59% | 0.587 | 73% | 0.727 | S | S | * | * | trans | -138.5 | 89.5 | 179.3 | -168.7 | 0 | 0 | 0 | 0 | 111.1 | K1054 D1107 S1108 | K1054-S1110 PolarHBondContact NZ-O 3.1Å; D1107-S1110 WeakPolarHBondContact O-CA 3.38Å; D1107-S1110 WeakPolarHBondContact O-CB 3.43Å; D1107-S1110 PolarHBondContact O-N 3.18Å; S1108-S1110 PolarHBondContact O-N 3.13Å | ||
| 1111 | N | 29.7 | Very low | 30.7 | Very low | 139.2 Ų | 139.2 | 118.1 Ų | 118.1 | 74% | 0.744 | 72% | 0.721 | S | S | * | * | trans | -139.1 | 64.5 | 172.6 | -68.9 | -17.1 | 0 | 0 | 0 | 115 | D1107 S1108 T1115 | D1107-N1111 PolarHBondContact O-N 3.41Å; S1108-N1111 PolarHBondContact O-N 2.98Å; N1111-T1115 PolarHBondContact O-N 3.31Å; N1111-T1115 PolarHBondContact O-OG1 3.29Å | ||
| 1112 | Q | 30.9 | Very low | 30.7 | Very low | 164.6 Ų | 164.6 | 119.9 Ų | 119.9 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | -146.4 | 99.1 | 142.2 | -100.1 | 179.7 | -7.3 | 0 | 0 | 112.8 | S1108 D1114 T1115 A1116 | S1108-Q1112 WeakPolarHBondContact O-CB 3.33Å; S1108-Q1112 PolarHBondContact O-N 3.39Å; Q1112-D1114 PolarHBondContact NE2-OD2 3.09Å; Q1112-D1114 PolarHBondContact O-N 3.42Å; Q1112-T1115 PolarHBondContact O-N 2.91Å; Q1112-A1116 VanDerWaalsContact O-CB 3.26Å; Q1112-A1116 WeakPolarHBondContact O-CB 3.22Å; Q1112-A1116 PolarHBondContact O-N 2.92Å | ||
| 1113 | V | 32.4 | Very low | 30.5 | Very low | 111.2 Ų | 111.2 | 119.3 Ų | 119.3 | 67% | 0.674 | 72% | 0.719 | S | S | * | * | trans | -118.7 | 78 | 165.8 | 176.9 | 0 | 0 | 0 | 0 | 111.3 | M1047 I1109 T1115 V1117 | M1047-V1113 HydrophobicContact CE-CG1 4.31Å; I1109-V1113 HydrophobicContact CG2-CG2 4.3Å; I1109-V1113 VanDerWaalsContact O-CG2 3.26Å; I1109-V1113 WeakPolarHBondContact O-CG2 3.31Å; V1113-T1115 PolarHBondContact O-N 3.37Å; V1113-V1117 WeakPolarHBondContact O-CG2 3.26Å | ||
| 1114 | D | 29.5 | Very low | 30.1 | Very low | 130.4 Ų | 130.4 | 116.9 Ų | 116.9 | 70% | 0.697 | 72% | 0.716 | S | S | * | * | trans | -100.4 | 133.4 | -175.8 | -73.7 | -55.6 | 0 | 0 | 0 | 111.8 | K1054 Q1112 A1116 | K1054-D1114 IonicContact NZ-OD2 3.33Å; K1054-D1114 PolarHBondContact NZ-OD2 3.17Å; Q1112-D1114 PolarHBondContact NE2-OD2 3.09Å; Q1112-D1114 PolarHBondContact O-N 3.42Å; D1114-A1116 PolarHBondContact O-N 3.22Å | ||
| 1115 | T | 31.3 | Very low | 30 | Very low | 133 Ų | 133 | 121.5 Ų | 121.5 | 82% | 0.816 | 72% | 0.723 | S | S | * | * | trans | -125.8 | 92.5 | 163.8 | -48 | 0 | 0 | 0 | 0 | 111.5 | N1111 Q1112 V1113 V1117 S1118 | N1111-T1115 PolarHBondContact O-N 3.31Å; N1111-T1115 PolarHBondContact O-OG1 3.29Å; Q1112-T1115 PolarHBondContact O-N 2.91Å; V1113-T1115 PolarHBondContact O-N 3.37Å; T1115-V1117 PolarHBondContact O-N 3.08Å; T1115-V1117 VanDerWaalsContact O-N 3.09Å; T1115-S1118 PolarHBondContact O-N 2.93Å; T1115-S1118 VanDerWaalsContact O-N 3.16Å | ||
| 1116 | A | 28.6 | Very low | 29.8 | Very low | 89.8 Ų | 89.8 | 123.8 Ų | 123.8 | 74% | 0.742 | 73% | 0.73 | S | S | * | * | trans | -123.7 | 96.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q1112 D1114 | Q1112-A1116 VanDerWaalsContact O-CB 3.26Å; Q1112-A1116 WeakPolarHBondContact O-CB 3.22Å; Q1112-A1116 PolarHBondContact O-N 2.92Å; D1114-A1116 PolarHBondContact O-N 3.22Å | ||
| 1117 | V | 31.1 | Very low | 29.7 | Very low | 127.2 Ų | 127.2 | 124 Ų | 124 | 77% | 0.771 | 74% | 0.741 | S | S | * | * | trans | -147.1 | 117.1 | 156.8 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | V1113 T1115 | V1113-V1117 WeakPolarHBondContact O-CG2 3.26Å; T1115-V1117 PolarHBondContact O-N 3.08Å; T1115-V1117 VanDerWaalsContact O-N 3.09Å | ||
| 1118 | S | 29 | Very low | 29.6 | Very low | 115 Ų | 115 | 122.5 Ų | 122.5 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | 51.5 | 113.8 | 169.2 | -58.6 | 0 | 0 | 0 | 0 | 116.5 | T1115 | T1115-S1118 PolarHBondContact O-N 2.93Å; T1115-S1118 VanDerWaalsContact O-N 3.16Å | ||
| 1119 | G | 26.6 | Very low | 29.5 | Very low | 72.4 Ų | 72.4 | 126.8 Ų | 126.8 | 75% | 0.746 | 76% | 0.755 | S | S | * | * | trans | -162.7 | 108.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1120 | M | 29.8 | Very low | 29.3 | Very low | 186.8 Ų | 186.8 | 125 Ų | 125 | 92% | 0.92 | 77% | 0.766 | S | S | * | * | trans | 75.8 | 123.2 | 161.7 | -72.2 | -172.3 | 176.6 | 0 | 0 | 114.9 | ||||
| 1121 | N | 28.8 | Very low | 29.3 | Very low | 144.4 Ų | 144.4 | 126.1 Ų | 126.1 | 77% | 0.772 | 77% | 0.773 | S | S | * | * | trans | -27.9 | 146.6 | 160.2 | -113.5 | 6.4 | 0 | 0 | 0 | 114.2 | Q1275 | N1121-Q1275 VanDerWaalsContact C-NE2 3.35Å; N1121-Q1275 PolarHBondContact ND2-OE1 3.29Å; N1121-Q1275 PolarHBondContact O-NE2 3.21Å; N1121-Q1275 PolarHBondContact O-OE1 2.99Å; N1121-Q1275 PolarHBondContact OD1-OE1 3.34Å | ||
| 1122 | I | 30.2 | Very low | 29.3 | Very low | 144 Ų | 144 | 126 Ų | 126 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | -138 | 155.1 | 160.8 | -93.9 | 163.8 | 0 | 0 | 0 | 110.1 | ||||
| 1123 | D | 26.8 | Very low | 29.2 | Very low | 135.8 Ų | 135.8 | 121.6 Ų | 121.6 | 73% | 0.726 | 78% | 0.777 | S | S | * | * | trans | 29.8 | 135.1 | 175.6 | -47.5 | -56.2 | 0 | 0 | 0 | 118.7 | Q1275 S1276 | D1123-Q1275 VanDerWaalsContact OD1-CB 3.31Å; D1123-Q1275 WeakPolarHBondContact OD1-CB 3.21Å; D1123-Q1275 WeakPolarHBondContact OD2-CG 3.4Å; D1123-S1276 WeakPolarHBondContact OD1-CB 3.32Å; D1123-S1276 PolarHBondContact OD1-N 3.37Å; D1123-S1276 VanDerWaalsContact OD1-N 3.17Å; D1123-S1276 WeakPolarHBondContact OD2-CA 3.35Å; D1123-S1276 WeakPolarHBondContact OD2-CB 3.28Å; D1123-S1276 PolarHBondContact OD2-N 2.93Å; D1123-S1276 PolarHBondContact OD2-OG 2.9Å | ||
| 1124 | G | 27.8 | Very low | 29 | Very low | 65.4 Ų | 65.4 | 123.6 Ų | 123.6 | 67% | 0.674 | 78% | 0.781 | S | S | * | * | trans | -170.1 | 125.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1125 | F | 28.6 | Very low | 28.9 | Very low | 198.6 Ų | 198.6 | 123.8 Ų | 123.8 | 87% | 0.871 | 78% | 0.781 | S | S | * | * | trans | -88.7 | 141 | 153.1 | -87.6 | -84.7 | 0 | 0 | 0 | 115.4 | ||||
| 1126 | S | 28.2 | Very low | 28.8 | Very low | 105.6 Ų | 105.6 | 124.1 Ų | 124.1 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | -130.5 | 152.4 | 146.8 | -56.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1127 | S | 28.8 | Very low | 28.7 | Very low | 117.4 Ų | 117.4 | 125.2 Ų | 125.2 | 82% | 0.821 | 78% | 0.775 | S | S | * | * | trans | 53.8 | 143.3 | 152.2 | 60.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1128 | A | 29.7 | Very low | 28.6 | Very low | 92.4 Ų | 92.4 | 126.5 Ų | 126.5 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | 167.7 | 129.8 | 108.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1129 | Q | 29.5 | Very low | 28.6 | Very low | 187.6 Ų | 187.6 | 124.2 Ų | 124.2 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | -88.7 | 135.1 | 139.6 | -74 | 174.5 | -39.4 | 0 | 0 | 112.7 | I1577 | Q1129-I1577 PolarHBondContact NE2-O 2.61Å; Q1129-I1577 VanDerWaalsContact NE2-O 3.1Å | ||
| 1130 | G | 28 | Very low | 28.8 | Very low | 80.6 Ų | 80.6 | 127.1 Ų | 127.1 | 83% | 0.831 | 76% | 0.762 | S | S | * | * | trans | -179.6 | 125.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1131 | S | 30.5 | Very low | 28.9 | Very low | 105.8 Ų | 105.8 | 124.9 Ų | 124.9 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | trans | -128.2 | 129.1 | 176.9 | -164.7 | 0 | 0 | 0 | 0 | 113 | G1133 | S1131-G1133 PolarHBondContact O-N 3.38Š| ||
| 1132 | T | 28.2 | Very low | 28.9 | Very low | 137.4 Ų | 137.4 | 124.3 Ų | 124.3 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | trans | 40.7 | 115.5 | 149.6 | 51.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1133 | G | 29 | Very low | 28.9 | Very low | 72.4 Ų | 72.4 | 121.3 Ų | 121.3 | 75% | 0.746 | 76% | 0.761 | S | S | * | * | trans | -160.6 | 143.9 | 158.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1131 | S1131-G1133 PolarHBondContact O-N 3.38Š| ||
| 1134 | M | 29.5 | Very low | 28.9 | Very low | 154.6 Ų | 154.6 | 118.5 Ų | 118.5 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | -116.3 | 139.9 | -165.7 | -119 | -169.5 | -75.5 | 0 | 0 | 111 | N126 D179 | N126-M1134 PolarHBondContact OD1-SD 3.03Å; D179-M1134 WeakPolarHBondContact OD1-CE 3.44Å | ||
| 1135 | L | 27.7 | Very low | 29 | Very low | 134 Ų | 134 | 122.3 Ų | 122.3 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | -143.4 | 131.1 | 123.9 | -152.7 | 157.6 | 0 | 0 | 0 | 112.2 | N129 | N129-L1135 PolarHBondContact ND2-O 3.27Å; N129-L1135 PolarHBondContact OD1-O 3.37Å | |||
| 1136 | L | 28.6 | Very low | 28.8 | Very low | 138.8 Ų | 138.8 | 118.2 Ų | 118.2 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -126.6 | 129.4 | 150.3 | -96.4 | 147.1 | 0 | 0 | 0 | 111.5 | L125 I1138 | L125-L1136 HydrophobicContact CD1-CD1 4.48Å; L125-L1136 HydrophobicContact CD1-CD2 4.23Å; L125-L1136 HydrophobicContact CD1-CG 4.47Å; L125-L1136 HydrophobicContact CD2-CD2 3.68Å; L1136-I1138 PolarHBondContact O-N 3.4Å | ||
| 1137 | T | 26.5 | Very low | 28.9 | Very low | 113 Ų | 113 | 120 Ų | 120 | 69% | 0.693 | 78% | 0.775 | S | S | * | * | trans | -94.8 | 112.9 | 177.2 | -50.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1138 | I | 29.5 | Very low | 28.8 | Very low | 155.2 Ų | 155.2 | 119.7 Ų | 119.7 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | trans | -141.7 | 128 | 154 | -67 | 177.9 | 0 | 0 | 0 | 108.1 | L1136 N1140 | L1136-I1138 PolarHBondContact O-N 3.4Å; I1138-N1140 PolarHBondContact O-N 2.96Å | ||
| 1139 | A | 28.7 | Very low | 28.9 | Very low | 65.8 Ų | 65.8 | 120.6 Ų | 120.6 | 54% | 0.544 | 77% | 0.774 | S | S | . | * | trans | -93.6 | 146 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1140 | N | 30.2 | Very low | 28.8 | Very low | 133.6 Ų | 133.6 | 117.8 Ų | 117.8 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | trans | 163.5 | 138.9 | 136.1 | -83.3 | -28.9 | 0 | 0 | 0 | 115.2 | I1138 | I1138-N1140 PolarHBondContact O-N 2.96Š| ||
| 1141 | N | 31.2 | Very low | 29 | Very low | 139.8 Ų | 139.8 | 119.5 Ų | 119.5 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | -174.9 | 137.6 | 115.8 | -115.4 | -15.7 | 0 | 0 | 0 | 114.6 | |||||
| 1142 | T | 29.6 | Very low | 28.9 | Very low | 132.4 Ų | 132.4 | 121.3 Ų | 121.3 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | 19.5 | 128.5 | 161.7 | 55.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1143 | G | 29.8 | Very low | 28.9 | Very low | 82 Ų | 82 | 118.4 Ų | 118.4 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | 164.6 | 129.7 | 163 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1144 | G | 26.8 | Very low | 28.9 | Very low | 75.6 Ų | 75.6 | 121.6 Ų | 121.6 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | 178.1 | 144.6 | -163.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1145 | V | 29.7 | Very low | 28.9 | Very low | 146.6 Ų | 146.6 | 118.8 Ų | 118.8 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | -147.9 | 141.6 | 167.3 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1146 | S | 24.8 | Very low | 28.9 | Very low | 111.2 Ų | 111.2 | 117 Ų | 117 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | trans | -106 | 137.2 | -177.5 | 50.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1147 | V | 30.7 | Very low | 28.8 | Very low | 144 Ų | 144 | 119.1 Ų | 119.1 | 87% | 0.873 | 78% | 0.776 | S | S | * | * | trans | -143.6 | 143.7 | 159.5 | -144.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1148 | S | 26.5 | Very low | 28.8 | Very low | 110.4 Ų | 110.4 | 120.2 Ų | 120.2 | 77% | 0.772 | 78% | 0.782 | S | S | * | * | trans | -111.4 | 143.5 | -172.7 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1149 | S | 31.2 | Very low | 28.8 | Very low | 111 Ų | 111 | 118.2 Ų | 118.2 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | 164.1 | 142.7 | 151.2 | 65.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1150 | T | 28 | Very low | 28.6 | Very low | 130.6 Ų | 130.6 | 118.4 Ų | 118.4 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | trans | 46.9 | 117.2 | 166.9 | 55.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 1151 | S | 31 | Very low | 28.5 | Very low | 114.8 Ų | 114.8 | 117.8 Ų | 117.8 | 80% | 0.803 | 80% | 0.797 | S | S | * | * | trans | 114 | 126.5 | 138.2 | 59.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1152 | T | 29.3 | Very low | 28.3 | Very low | 143.2 Ų | 143.2 | 115.3 Ų | 115.3 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -120.7 | 133.8 | 152.4 | 18.7 | 0 | 0 | 0 | 0 | 112.8 | T1154 | T1152-T1154 PolarHBondContact O-N 3.45Š| ||
| 1153 | G | 28.5 | Very low | 28.2 | Very low | 77.4 Ų | 77.4 | 116.6 Ų | 116.6 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | -138.1 | 106.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1155 | G1153-S1155 PolarHBondContact O-N 3.46Š| ||
| 1154 | T | 29.2 | Very low | 28.3 | Very low | 139.6 Ų | 139.6 | 117 Ų | 117 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | -105.8 | 136.9 | 163.4 | 46.8 | 0 | 0 | 0 | 0 | 110.5 | T1152 S1156 | T1152-T1154 PolarHBondContact O-N 3.45Å; T1154-S1156 PolarHBondContact O-N 3.01Å | ||
| 1155 | S | 28.3 | Very low | 28.4 | Very low | 96.2 Ų | 96.2 | 117.6 Ų | 117.6 | 67% | 0.673 | 78% | 0.778 | S | S | * | * | trans | -116.9 | 133.2 | 166.7 | 43.7 | 0 | 0 | 0 | 0 | 111.8 | G1153 F1157 | G1153-S1155 PolarHBondContact O-N 3.46Å; S1155-F1157 WeakPolarHBondContact O-CD1 3.42Å; S1155-F1157 WeakPolarHBondContact O-CE1 3.34Å; S1155-F1157 PolarHBondContact O-N 2.88Å; S1155-F1157 WeakPolarHBondContact OG-CE2 3.48Å; S1155-F1157 WeakPolarHBondContact OG-CZ 3.41Å | ||
| 1156 | S | 27.9 | Very low | 28.4 | Very low | 95.2 Ų | 95.2 | 112.9 Ų | 112.9 | 67% | 0.666 | 76% | 0.76 | S | S | * | * | trans | -81.5 | 140.5 | 135.4 | 53.8 | 0 | 0 | 0 | 0 | 112.7 | T1154 V1158 | T1154-S1156 PolarHBondContact O-N 3.01Å; S1156-V1158 PolarHBondContact O-N 3.15Å | ||
| 1157 | F | 26.7 | Very low | 28.7 | Very low | 183.4 Ų | 183.4 | 110.4 Ų | 110.4 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -82.4 | 120.3 | 167.6 | -13.4 | -85.6 | 0 | 0 | 0 | 113.9 | S1155 S1159 | S1155-F1157 WeakPolarHBondContact O-CD1 3.42Å; S1155-F1157 WeakPolarHBondContact O-CE1 3.34Å; S1155-F1157 PolarHBondContact O-N 2.88Å; S1155-F1157 WeakPolarHBondContact OG-CE2 3.48Å; S1155-F1157 WeakPolarHBondContact OG-CZ 3.41Å; F1157-S1159 VanDerWaalsContact C-N 3.33Å; F1157-S1159 PolarHBondContact O-N 3.46Å; F1157-S1159 VanDerWaalsContact O-N 3.07Å | ||
| 1158 | V | 28.1 | Very low | 28.8 | Very low | 135.2 Ų | 135.2 | 106.9 Ų | 106.9 | 82% | 0.819 | 73% | 0.728 | S | S | * | * | -101.5 | 132.1 | 116.1 | -178.6 | 0 | 0 | 0 | 0 | 112.4 | S1156 G1160 | S1156-V1158 PolarHBondContact O-N 3.15Å; V1158-G1160 VanDerWaalsContact C-N 3.26Å; V1158-G1160 PolarHBondContact O-N 3.24Å | |||
| 1159 | S | 27.7 | Very low | 29.1 | Very low | 114 Ų | 114 | 108.1 Ų | 108.1 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | trans | -39.9 | 125.7 | 172 | -53.9 | 0 | 0 | 0 | 0 | 116.1 | F1157 S1161 | F1157-S1159 VanDerWaalsContact C-N 3.33Å; F1157-S1159 PolarHBondContact O-N 3.46Å; F1157-S1159 VanDerWaalsContact O-N 3.07Å; S1159-S1161 PolarHBondContact O-N 3.11Å | ||
| 1160 | G | 26 | Very low | 29.3 | Very low | 69.6 Ų | 69.6 | 108.5 Ų | 108.5 | 72% | 0.718 | 70% | 0.701 | S | S | * | * | trans | -104.2 | 118.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1158 A1162 | V1158-G1160 VanDerWaalsContact C-N 3.26Å; V1158-G1160 PolarHBondContact O-N 3.24Å; G1160-A1162 VanDerWaalsContact C-N 3.32Å; G1160-A1162 PolarHBondContact O-N 3.29Å; G1160-A1162 VanDerWaalsContact O-N 3.16Å | ||
| 1161 | S | 26.9 | Very low | 29.8 | Very low | 121.6 Ų | 121.6 | 105.9 Ų | 105.9 | 85% | 0.85 | 68% | 0.681 | S | S | * | * | trans | -88.9 | 94.9 | -176.9 | -64.7 | 0 | 0 | 0 | 0 | 113.4 | S1159 I1163 | S1159-S1161 PolarHBondContact O-N 3.11Å; S1161-I1163 WeakPolarHBondContact O-CG1 3.36Å; S1161-I1163 PolarHBondContact O-N 3.05Å; S1161-I1163 VanDerWaalsContact O-N 3.09Å | ||
| 1162 | A | 27.3 | Very low | 29.9 | Very low | 87.8 Ų | 87.8 | 102.5 Ų | 102.5 | 73% | 0.726 | 66% | 0.66 | S | S | * | * | trans | -101.1 | 74.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | G1160 S1164 S1165 | G1160-A1162 VanDerWaalsContact C-N 3.32Å; G1160-A1162 PolarHBondContact O-N 3.29Å; G1160-A1162 VanDerWaalsContact O-N 3.16Å; A1162-S1164 PolarHBondContact O-N 3.08Å; A1162-S1164 VanDerWaalsContact O-N 3.09Å; A1162-S1165 PolarHBondContact O-N 3.2Å; A1162-S1165 VanDerWaalsContact O-N 3.16Å; A1162-S1165 PolarHBondContact O-OG 2.75Å; A1162-S1165 VanDerWaalsContact O-OG 3.08Å | ||
| 1163 | I | 28.7 | Very low | 30.1 | Very low | 159.2 Ų | 159.2 | 99.6 Ų | 99.6 | 82% | 0.816 | 64% | 0.642 | S | S | * | * | trans | -75.7 | 51.9 | -176.3 | -56.6 | 178 | 0 | 0 | 0 | 110.6 | S1161 S1165 | S1161-I1163 WeakPolarHBondContact O-CG1 3.36Å; S1161-I1163 PolarHBondContact O-N 3.05Å; S1161-I1163 VanDerWaalsContact O-N 3.09Å; I1163-S1165 VanDerWaalsContact C-N 3.31Å; I1163-S1165 PolarHBondContact O-N 3Å; I1163-S1165 VanDerWaalsContact O-N 3.12Å | ||
| 1164 | S | 30.5 | Very low | 30.2 | Very low | 91.2 Ų | 91.2 | 102.3 Ų | 102.3 | 64% | 0.638 | 63% | 0.632 | S | S | * | * | trans | -85.8 | 82.5 | 176.5 | 104.9 | 0 | 0 | 0 | 0 | 112.9 | A1162 G1166 S1168 | A1162-S1164 PolarHBondContact O-N 3.08Å; A1162-S1164 VanDerWaalsContact O-N 3.09Å; S1164-G1166 VanDerWaalsContact C-N 3.35Å; S1164-G1166 PolarHBondContact O-N 3.12Å; S1164-G1166 VanDerWaalsContact O-N 3.12Å; S1164-S1168 PolarHBondContact O-OG 3.25Å; S1164-S1168 VanDerWaalsContact O-OG 3.08Å | ||
| 1165 | S | 29.3 | Very low | 30.3 | Very low | 86.4 Ų | 86.4 | 103.7 Ų | 103.7 | 60% | 0.604 | 62% | 0.622 | S | S | * | * | trans | -43.9 | 34.8 | 176.9 | 62.1 | 0 | 0 | 0 | 0 | 115.6 | A1162 I1163 A1167 R1169 | A1162-S1165 PolarHBondContact O-N 3.2Å; A1162-S1165 VanDerWaalsContact O-N 3.16Å; A1162-S1165 PolarHBondContact O-OG 2.75Å; A1162-S1165 VanDerWaalsContact O-OG 3.08Å; I1163-S1165 VanDerWaalsContact C-N 3.31Å; I1163-S1165 PolarHBondContact O-N 3Å; I1163-S1165 VanDerWaalsContact O-N 3.12Å; S1165-A1167 PolarHBondContact O-N 3.21Å; S1165-R1169 PolarHBondContact O-NE 2.85Å; S1165-R1169 PolarHBondContact O-NH2 3.22Å | ||
| 1166 | G | 28.9 | Very low | 30.3 | Very low | 49.4 Ų | 49.4 | 107.8 Ų | 107.8 | 51% | 0.509 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -70.3 | -23.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1164 S1168 R1169 | S1164-G1166 VanDerWaalsContact C-N 3.35Å; S1164-G1166 PolarHBondContact O-N 3.12Å; S1164-G1166 VanDerWaalsContact O-N 3.12Å; G1166-S1168 VanDerWaalsContact C-N 3.26Å; G1166-S1168 PolarHBondContact O-N 3.2Å; G1166-R1169 WeakPolarHBondContact O-CA 3.38Å; G1166-R1169 WeakPolarHBondContact O-CB 3.37Å; G1166-R1169 PolarHBondContact O-N 2.74Å |
| 1167 | A | 32.5 | Very low | 30.4 | Very low | 57.4 Ų | 57.4 | 109.2 Ų | 109.2 | 47% | 0.474 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -71.5 | -13.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1165 R1169 Y1170 | S1165-A1167 PolarHBondContact O-N 3.21Å; A1167-R1169 PolarHBondContact O-N 2.96Å; A1167-Y1170 PolarHBondContact O-N 2.85Å |
| 1168 | S | 32.1 | Very low | 30.6 | Very low | 72 Ų | 72 | 104.7 Ų | 104.7 | 50% | 0.503 | 62% | 0.618 | S | S | . | * | G | 310 helix | trans | -63.4 | 14.5 | 176.5 | -58.9 | 0 | 0 | 0 | 0 | 115.2 | S1164 G1166 Y1170 A1172 | S1164-S1168 PolarHBondContact O-OG 3.25Å; S1164-S1168 VanDerWaalsContact O-OG 3.08Å; G1166-S1168 VanDerWaalsContact C-N 3.26Å; G1166-S1168 PolarHBondContact O-N 3.2Å; S1168-Y1170 VanDerWaalsContact C-N 3.31Å; S1168-Y1170 PolarHBondContact O-N 3.15Å; S1168-A1172 WeakPolarHBondContact O-CA 3.14Å; S1168-A1172 WeakPolarHBondContact O-CB 3.32Å; S1168-A1172 PolarHBondContact O-N 3.26Å |
| 1169 | R | 32.2 | Very low | 30.8 | Very low | 135.8 Ų | 135.8 | 106.7 Ų | 106.7 | 51% | 0.512 | 62% | 0.618 | S | S | . | * | G | 310 helix | trans | -93.2 | -3.3 | 170.3 | -81 | -169.2 | -76.9 | -165.4 | -6.4 | 114.1 | S551 N604 S1165 G1166 A1167 L1171 A1172 V1173 | S551-R1169 PolarHBondContact OG-NH1 3.12Å; N604-R1169 PolarHBondContact OD1-NE 3.21Å; N604-R1169 PolarHBondContact OD1-NH2 2.99Å; S1165-R1169 PolarHBondContact O-NE 2.85Å; S1165-R1169 PolarHBondContact O-NH2 3.22Å; G1166-R1169 WeakPolarHBondContact O-CA 3.38Å; G1166-R1169 WeakPolarHBondContact O-CB 3.37Å; G1166-R1169 PolarHBondContact O-N 2.74Å; A1167-R1169 PolarHBondContact O-N 2.96Å; R1169-L1171 PolarHBondContact O-N 3.1Å; R1169-L1171 VanDerWaalsContact O-N 3.15Å; R1169-A1172 CarbonylContact O-C 3.5Å; R1169-A1172 PolarHBondContact O-N 3.18Å; R1169-A1172 VanDerWaalsContact O-N 3.14Å; R1169-V1173 HydrophobicContact CB-CG2 4.21Å; R1169-V1173 VanDerWaalsContact O-CB 3.28Å; R1169-V1173 WeakPolarHBondContact O-CB 3.29Å; R1169-V1173 WeakPolarHBondContact O-CG2 3.29Å; R1169-V1173 PolarHBondContact O-N 3.38Å |
| 1170 | Y | 36.7 | Very low | 30.9 | Very low | 118.6 Ų | 118.6 | 109.6 Ų | 109.6 | 47% | 0.465 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -74.5 | 0.8 | 176.6 | -104.2 | -96.5 | 0 | 0 | 0 | 111.2 | N602 R603 H1044 I1048 R1051 A1167 S1168 A1172 | N602-Y1170 WeakPolarHBondContact CA-OH 3.26Å; R603-Y1170 HydrophobicContact CB-CD2 3.81Å; R603-Y1170 HydrophobicContact CB-CE2 4.26Å; R603-Y1170 HydrophobicContact CB-CG 4.38Å; H1044-Y1170 AromaticContact NE2-CE1 3.82Å; I1048-Y1170 HydrophobicContact CD1-CD1 3.86Å; I1048-Y1170 HydrophobicContact CD1-CE1 4.15Å; I1048-Y1170 HydrophobicContact CG1-CD1 3.89Å; I1048-Y1170 HydrophobicContact CG1-CE1 4.39Å; R1051-Y1170 VanDerWaalsContact NH1-CD2 3.34Å; R1051-Y1170 PolarHBondContact NH1-OH 3.11Å; A1167-Y1170 PolarHBondContact O-N 2.85Å; S1168-Y1170 VanDerWaalsContact C-N 3.31Å; S1168-Y1170 PolarHBondContact O-N 3.15Å; Y1170-A1172 PolarHBondContact O-N 3.4Å; Y1170-A1172 VanDerWaalsContact O-N 3.12Å |
| 1171 | L | 38.8 | Very low | 31.3 | Very low | 76.2 Ų | 76.2 | 110.6 Ų | 110.6 | 40% | 0.399 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -92.3 | 24.3 | 166.1 | -73.5 | 170.2 | 0 | 0 | 0 | 111.5 | R1051 F1055 R1169 V1173 R1175 V1191 | R1051-L1171 HydrophobicContact CG-CD1 4.18Å; F1055-L1171 HydrophobicContact CB-CD1 3.83Å; F1055-L1171 HydrophobicContact CD1-CD1 3.89Å; F1055-L1171 HydrophobicContact CD2-CD1 4.35Å; F1055-L1171 HydrophobicContact CG-CD1 3.77Å; R1169-L1171 PolarHBondContact O-N 3.1Å; R1169-L1171 VanDerWaalsContact O-N 3.15Å; L1171-V1173 VanDerWaalsContact C-N 3.29Å; L1171-V1173 PolarHBondContact O-N 3.21Å; L1171-R1175 VanDerWaalsContact O-CD 3.31Å; L1171-R1175 WeakPolarHBondContact O-CD 3.41Å; L1171-R1175 WeakPolarHBondContact O-CG 3.39Å; L1171-R1175 PolarHBondContact O-N 2.93Å; L1171-R1175 VanDerWaalsContact O-N 3.12Å; L1171-V1191 HydrophobicContact CD2-CB 4.39Å; L1171-V1191 HydrophobicContact CD2-CG1 3.55Å; L1171-V1191 HydrophobicContact CD2-CG2 4.2Å |
| 1172 | A | 31.7 | Very low | 32.2 | Very low | 43.4 Ų | 43.4 | 110.2 Ų | 110.2 | 36% | 0.359 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -77.6 | -3.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F1055 S1168 R1169 Y1170 K1174 R1175 R1176 V1191 | F1055-A1172 HydrophobicContact CE1-CB 4.15Å; S1168-A1172 WeakPolarHBondContact O-CA 3.14Å; S1168-A1172 WeakPolarHBondContact O-CB 3.32Å; S1168-A1172 PolarHBondContact O-N 3.26Å; R1169-A1172 CarbonylContact O-C 3.5Å; R1169-A1172 PolarHBondContact O-N 3.18Å; R1169-A1172 VanDerWaalsContact O-N 3.14Å; Y1170-A1172 PolarHBondContact O-N 3.4Å; Y1170-A1172 VanDerWaalsContact O-N 3.12Å; A1172-K1174 PolarHBondContact O-N 3.12Å; A1172-R1175 CarbonylContact O-C 3.46Å; A1172-R1175 PolarHBondContact O-N 3.06Å; A1172-R1176 VanDerWaalsContact O-CG 3.27Å; A1172-R1176 WeakPolarHBondContact O-CG 3.3Å; A1172-R1176 PolarHBondContact O-N 3.01Å; A1172-V1191 HydrophobicContact CB-CG2 3.62Å |
| 1173 | V | 33.9 | Very low | 33.6 | Very low | 83 Ų | 83 | 108.2 Ų | 108.2 | 50% | 0.503 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -70 | 35.4 | -177.4 | -179.6 | 0 | 0 | 0 | 0 | 112.8 | F1055 R1169 L1171 R1175 R1176 E1187 | F1055-V1173 HydrophobicContact CB-CG1 3.74Å; F1055-V1173 HydrophobicContact CB-CG2 3.95Å; F1055-V1173 HydrophobicContact CD1-CG2 3.83Å; F1055-V1173 HydrophobicContact CD2-CG1 3.96Å; F1055-V1173 HydrophobicContact CD2-CG2 4.3Å; F1055-V1173 HydrophobicContact CE1-CG2 4.36Å; F1055-V1173 HydrophobicContact CG-CB 4.47Å; F1055-V1173 HydrophobicContact CG-CG1 3.95Å; F1055-V1173 HydrophobicContact CG-CG2 3.78Å; R1169-V1173 HydrophobicContact CB-CG2 4.21Å; R1169-V1173 VanDerWaalsContact O-CB 3.28Å; R1169-V1173 WeakPolarHBondContact O-CB 3.29Å; R1169-V1173 WeakPolarHBondContact O-CG2 3.29Å; R1169-V1173 PolarHBondContact O-N 3.38Å; L1171-V1173 VanDerWaalsContact C-N 3.29Å; L1171-V1173 PolarHBondContact O-N 3.21Å; V1173-R1175 VanDerWaalsContact C-N 3.33Å; V1173-R1175 HydrophobicContact CG1-CB 4.41Å; V1173-R1175 PolarHBondContact O-N 3.21Å; V1173-R1176 PolarHBondContact O-N 3.48Å; V1173-R1176 VanDerWaalsContact O-N 3.08Å; V1173-E1187 WeakPolarHBondContact CG1-OE1 3.38Å |
| 1174 | K | 30.7 | Very low | 35.4 | Very low | 132.6 Ų | 132.6 | 105.5 Ų | 105.5 | 58% | 0.577 | 58% | 0.576 | S | S | * | * | trans | -86 | 27.1 | 162.4 | -157.2 | 174.6 | -179.8 | 178.8 | 0 | 114 | A1172 R1176 V1177 S1178 Q1179 Q1180 E1187 D1190 | A1172-K1174 PolarHBondContact O-N 3.12Å; K1174-R1176 HydrophobicContact CG-CB 4Å; K1174-R1176 PolarHBondContact O-N 3.07Å; K1174-V1177 HydrophobicContact CD-CG2 4.46Å; K1174-V1177 HydrophobicContact CG-CG2 4.09Å; K1174-V1177 PolarHBondContact O-N 2.87Å; K1174-V1177 VanDerWaalsContact O-N 3.12Å; K1174-S1178 PolarHBondContact O-N 3.4Å; K1174-Q1179 PolarHBondContact NZ-O 3.17Å; K1174-Q1180 HydrophobicContact CD-CG 4.37Å; K1174-E1187 WeakPolarHBondContact CE-OE1 3.49Å; K1174-E1187 WeakPolarHBondContact CE-OE2 3.35Å; K1174-E1187 IonicContact NZ-OE1 3.2Å; K1174-E1187 PolarHBondContact NZ-OE1 3.28Å; K1174-E1187 IonicContact NZ-OE2 3.02Å; K1174-E1187 PolarHBondContact NZ-OE2 2.9Å; K1174-D1190 IonicContact NZ-OD2 2.96Å; K1174-D1190 PolarHBondContact NZ-OD2 3.41Å | ||
| 1175 | R | 31.1 | Very low | 37.3 | Very low | 169.6 Ų | 169.6 | 105.8 Ų | 105.8 | 64% | 0.64 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 75.6 | 162.6 | -71.4 | -179.7 | -179.1 | 150.7 | 1.7 | 111.5 | F1055 L1171 A1172 V1173 V1177 S1178 S1181 V1183 E1187 | F1055-R1175 VanDerWaalsContact CE2-NH2 3.26Å; L1171-R1175 VanDerWaalsContact O-CD 3.31Å; L1171-R1175 WeakPolarHBondContact O-CD 3.41Å; L1171-R1175 WeakPolarHBondContact O-CG 3.39Å; L1171-R1175 PolarHBondContact O-N 2.93Å; L1171-R1175 VanDerWaalsContact O-N 3.12Å; A1172-R1175 CarbonylContact O-C 3.46Å; A1172-R1175 PolarHBondContact O-N 3.06Å; V1173-R1175 VanDerWaalsContact C-N 3.33Å; V1173-R1175 HydrophobicContact CG1-CB 4.41Å; V1173-R1175 PolarHBondContact O-N 3.21Å; R1175-V1177 VanDerWaalsContact C-N 3.35Å; R1175-S1178 WeakPolarHBondContact CA-OG 3.45Å; R1175-S1178 PolarHBondContact O-OG 3.4Å; R1175-S1181 PolarHBondContact NH1-OG 2.81Å; R1175-V1183 VanDerWaalsContact NH2-CG1 3.31Å; R1175-E1187 IonicContact CZ-OE2 2.62Å; R1175-E1187 IonicContact NE-OE2 3.69Å; R1175-E1187 PolarHBondContact NE-OE2 3.45Å; R1175-E1187 VanDerWaalsContact NH2-CB 3.31Å; R1175-E1187 IonicContact NH2-OE2 2.74Å; R1175-E1187 PolarHBondContact NH2-OE2 3.43Å |
| 1176 | R | 29.6 | Very low | 39.7 | Very low | 182 Ų | 182 | 108 Ų | 108 | 69% | 0.687 | 57% | 0.57 | S | S | * | * | trans | -96.6 | 76.9 | 169.4 | -71.5 | -178.8 | -174.2 | 174.5 | 2 | 112.6 | Q480 A1172 V1173 K1174 S1178 | Q480-R1176 PolarHBondContact O-NH1 3.03Å; A1172-R1176 VanDerWaalsContact O-CG 3.27Å; A1172-R1176 WeakPolarHBondContact O-CG 3.3Å; A1172-R1176 PolarHBondContact O-N 3.01Å; V1173-R1176 PolarHBondContact O-N 3.48Å; V1173-R1176 VanDerWaalsContact O-N 3.08Å; K1174-R1176 HydrophobicContact CG-CB 4Å; K1174-R1176 PolarHBondContact O-N 3.07Å; R1176-S1178 VanDerWaalsContact C-N 3.29Å; R1176-S1178 PolarHBondContact O-N 3.18Å | ||
| 1177 | V | 30 | Very low | 42.2 | Very low | 125.6 Ų | 125.6 | 109.4 Ų | 109.4 | 76% | 0.761 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -82.9 | 94.7 | 164.4 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | K1174 R1175 | K1174-V1177 HydrophobicContact CD-CG2 4.46Å; K1174-V1177 HydrophobicContact CG-CG2 4.09Å; K1174-V1177 PolarHBondContact O-N 2.87Å; K1174-V1177 VanDerWaalsContact O-N 3.12Å; R1175-V1177 VanDerWaalsContact C-N 3.35Å |
| 1178 | S | 29.2 | Very low | 44.8 | Very low | 87.2 Ų | 87.2 | 106.7 Ų | 106.7 | 61% | 0.61 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -123.2 | 93 | 178.5 | 65.4 | 0 | 0 | 0 | 0 | 114.3 | K1174 R1175 R1176 Q1180 | K1174-S1178 PolarHBondContact O-N 3.4Å; R1175-S1178 WeakPolarHBondContact CA-OG 3.45Å; R1175-S1178 PolarHBondContact O-OG 3.4Å; R1176-S1178 VanDerWaalsContact C-N 3.29Å; R1176-S1178 PolarHBondContact O-N 3.18Å; S1178-Q1180 PolarHBondContact O-N 3.08Å; S1178-Q1180 VanDerWaalsContact O-N 3.14Å |
| 1179 | Q | 32.2 | Very low | 47.5 | Very low | 178.6 Ų | 178.6 | 108.2 Ų | 108.2 | 84% | 0.835 | 54% | 0.54 | S | S | * | . | trans | 51.9 | 118.2 | 164.8 | -71.2 | 178.1 | -7.1 | 0 | 0 | 113.2 | K1174 S1181 | K1174-Q1179 PolarHBondContact NZ-O 3.17Å; Q1179-S1181 PolarHBondContact O-N 2.95Å | ||
| 1180 | Q | 31.6 | Very low | 50.2 | Low | 174.4 Ų | 174.4 | 105.5 Ų | 105.5 | 82% | 0.815 | 54% | 0.536 | S | S | * | . | trans | -140.2 | 94.8 | 171 | -85.8 | 169.6 | -16.6 | 0 | 0 | 112.2 | K1174 S1178 | K1174-Q1180 HydrophobicContact CD-CG 4.37Å; S1178-Q1180 PolarHBondContact O-N 3.08Å; S1178-Q1180 VanDerWaalsContact O-N 3.14Å | ||
| 1181 | S | 34.3 | Very low | 52.8 | Low | 89.8 Ų | 89.8 | 100.8 Ų | 100.8 | 63% | 0.628 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -79.2 | 146.9 | 161.8 | -168.7 | 0 | 0 | 0 | 0 | 112.1 | R1175 Q1179 V1183 | R1175-S1181 PolarHBondContact NH1-OG 2.81Å; Q1179-S1181 PolarHBondContact O-N 2.95Å; S1181-V1183 PolarHBondContact O-N 3.16Å |
| 1182 | P | 46 | Very low | 55.4 | Low | 113.4 Ų | 113.4 | 97.8 Ų | 97.8 | 74% | 0.736 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -59 | 146.3 | 163.1 | 27.7 | -34.6 | 0 | 0 | 0 | 110.3 | N1184 | P1182-N1184 PolarHBondContact O-N 3.18Š|
| 1183 | V | 56.8 | Low | 58.3 | Low | 47.4 Ų | 47.4 | 99.3 Ų | 99.3 | 29% | 0.287 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 127.3 | 170.7 | 172.8 | 0 | 0 | 0 | 0 | 107.8 | Y1059 R1175 S1181 E1187 I1188 | Y1059-V1183 HydrophobicContact CE2-CB 4.23Å; Y1059-V1183 HydrophobicContact CE2-CG1 4.46Å; Y1059-V1183 HydrophobicContact CE2-CG2 4.39Å; Y1059-V1183 WeakPolarHBondContact OH-CB 3.33Å; Y1059-V1183 PolarHBondContact OH-O 3.38Å; R1175-V1183 VanDerWaalsContact NH2-CG1 3.31Å; S1181-V1183 PolarHBondContact O-N 3.16Å; V1183-E1187 HydrophobicContact CG1-CB 3.79Å; V1183-E1187 WeakPolarHBondContact CG1-OE2 3.28Å; V1183-I1188 HydrophobicContact CG1-CB 4.31Å |
| 1184 | N | 64.7 | Low | 61.1 | Low | 102 Ų | 102 | 97.6 Ų | 97.6 | 55% | 0.545 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 144.1 | 179.3 | -114 | 3.5 | 0 | 0 | 0 | 109.8 | P1182 H1186 E1187 I1188 | P1182-N1184 PolarHBondContact O-N 3.18Å; N1184-H1186 VanDerWaalsContact C-N 3.27Å; N1184-H1186 PolarHBondContact O-N 3.14Å; N1184-H1186 VanDerWaalsContact O-N 3.14Å; N1184-E1187 HydrophobicContact CB-CG 4.23Å; N1184-E1187 PolarHBondContact N-OE2 3.25Å; N1184-E1187 WeakPolarHBondContact O-CB 3.43Å; N1184-E1187 PolarHBondContact O-N 3.2Å; N1184-I1188 PolarHBondContact O-N 3.05Å |
| 1185 | D | 71.9 | Confident | 64.2 | Low | 96 Ų | 96 | 91.4 Ų | 91.4 | 51% | 0.513 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.5 | -32.7 | -172.1 | -82.1 | -62.2 | 0 | 0 | 0 | 113.7 | E1187 I1188 E1189 K1346 | D1185-E1187 VanDerWaalsContact C-N 3.28Å; D1185-E1187 PolarHBondContact O-N 3.07Å; D1185-I1188 WeakPolarHBondContact O-CG2 3.39Å; D1185-I1188 PolarHBondContact O-N 3.29Å; D1185-E1189 WeakPolarHBondContact O-CB 3.39Å; D1185-E1189 WeakPolarHBondContact O-CG 3.37Å; D1185-E1189 PolarHBondContact O-N 3.13Å; D1185-E1189 VanDerWaalsContact O-N 3.17Å; D1185-K1346 IonicContact OD1-NZ 3.4Å; D1185-K1346 PolarHBondContact OD1-NZ 3.02Å |
| 1186 | H | 79.2 | Confident | 67.3 | Low | 134 Ų | 134 | 84 Ų | 84 | 62% | 0.62 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.3 | -33 | 173.6 | -73.1 | -43.5 | 0 | 0 | 0 | 113.7 | N1184 I1188 E1189 D1190 | N1184-H1186 VanDerWaalsContact C-N 3.27Å; N1184-H1186 PolarHBondContact O-N 3.14Å; N1184-H1186 VanDerWaalsContact O-N 3.14Å; H1186-I1188 VanDerWaalsContact C-N 3.29Å; H1186-I1188 PolarHBondContact O-N 3.07Å; H1186-E1189 IonicContact ND1-OE2 3.15Å; H1186-E1189 PolarHBondContact O-N 3.09Å; H1186-D1190 WeakPolarHBondContact O-CB 3.32Å; H1186-D1190 PolarHBondContact O-N 3.06Å; H1186-D1190 VanDerWaalsContact O-N 3.09Å |
| 1187 | E | 82 | Confident | 70.4 | Confident | 77.8 Ų | 77.8 | 77.1 Ų | 77.1 | 36% | 0.364 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -72.2 | -29.4 | 179.9 | -62.4 | -170.7 | 136.4 | 0 | 0 | 112.5 | V1173 K1174 R1175 V1183 N1184 D1185 D1190 V1191 | V1173-E1187 WeakPolarHBondContact CG1-OE1 3.38Å; K1174-E1187 WeakPolarHBondContact CE-OE1 3.49Å; K1174-E1187 WeakPolarHBondContact CE-OE2 3.35Å; K1174-E1187 IonicContact NZ-OE1 3.2Å; K1174-E1187 PolarHBondContact NZ-OE1 3.28Å; K1174-E1187 IonicContact NZ-OE2 3.02Å; K1174-E1187 PolarHBondContact NZ-OE2 2.9Å; R1175-E1187 IonicContact CZ-OE2 2.62Å; R1175-E1187 IonicContact NE-OE2 3.69Å; R1175-E1187 PolarHBondContact NE-OE2 3.45Å; R1175-E1187 VanDerWaalsContact NH2-CB 3.31Å; R1175-E1187 IonicContact NH2-OE2 2.74Å; R1175-E1187 PolarHBondContact NH2-OE2 3.43Å; V1183-E1187 HydrophobicContact CG1-CB 3.79Å; V1183-E1187 WeakPolarHBondContact CG1-OE2 3.28Å; N1184-E1187 HydrophobicContact CB-CG 4.23Å; N1184-E1187 PolarHBondContact N-OE2 3.25Å; N1184-E1187 WeakPolarHBondContact O-CB 3.43Å; N1184-E1187 PolarHBondContact O-N 3.2Å; D1185-E1187 VanDerWaalsContact C-N 3.28Å; D1185-E1187 PolarHBondContact O-N 3.07Å; E1187-D1190 PolarHBondContact O-N 3.36Å; E1187-V1191 VanDerWaalsContact O-CG2 3.29Å; E1187-V1191 WeakPolarHBondContact O-CG2 3.37Å; E1187-V1191 PolarHBondContact O-N 3.21Å; E1187-V1191 VanDerWaalsContact O-N 3.16Å |
| 1188 | I | 86.7 | Confident | 73.5 | Confident | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -83.6 | -28 | 175.5 | -170.5 | 65.5 | 0 | 0 | 0 | 111.5 | F1055 L1056 Y1059 V1183 N1184 D1185 H1186 V1191 L1192 F1347 | F1055-I1188 HydrophobicContact CD1-CD1 4.3Å; F1055-I1188 HydrophobicContact CE1-CD1 3.49Å; F1055-I1188 VanDerWaalsContact CE1-CD1 3.47Å; F1055-I1188 HydrophobicContact CZ-CD1 4.13Å; L1056-I1188 HydrophobicContact CD2-CD1 3.95Å; L1056-I1188 HydrophobicContact CD2-CG1 4.47Å; Y1059-I1188 HydrophobicContact CD1-CD1 4.29Å; Y1059-I1188 HydrophobicContact CD1-CG1 4.07Å; Y1059-I1188 HydrophobicContact CD2-CD1 4.1Å; Y1059-I1188 HydrophobicContact CD2-CG1 4.44Å; Y1059-I1188 HydrophobicContact CE1-CB 4.44Å; Y1059-I1188 HydrophobicContact CE1-CD1 4.43Å; Y1059-I1188 HydrophobicContact CE1-CG1 4.11Å; Y1059-I1188 HydrophobicContact CE1-CG2 4.35Å; Y1059-I1188 HydrophobicContact CE2-CD1 4.24Å; Y1059-I1188 HydrophobicContact CE2-CG1 4.41Å; Y1059-I1188 HydrophobicContact CG-CD1 4.08Å; Y1059-I1188 HydrophobicContact CG-CG1 4.3Å; V1183-I1188 HydrophobicContact CG1-CB 4.31Å; N1184-I1188 PolarHBondContact O-N 3.05Å; D1185-I1188 WeakPolarHBondContact O-CG2 3.39Å; D1185-I1188 PolarHBondContact O-N 3.29Å; H1186-I1188 VanDerWaalsContact C-N 3.29Å; H1186-I1188 PolarHBondContact O-N 3.07Å; I1188-V1191 HydrophobicContact CD1-CB 4.45Å; I1188-V1191 PolarHBondContact O-N 3.12Å; I1188-L1192 WeakPolarHBondContact O-CB 3.36Å; I1188-L1192 PolarHBondContact O-N 3.22Å; I1188-L1192 VanDerWaalsContact O-N 3.13Å; I1188-F1347 HydrophobicContact CB-CZ 4.43Å; I1188-F1347 HydrophobicContact CD1-CE2 4.37Å; I1188-F1347 HydrophobicContact CD1-CZ 4.45Å; I1188-F1347 HydrophobicContact CG1-CE1 4.45Å; I1188-F1347 HydrophobicContact CG1-CE2 3.8Å; I1188-F1347 HydrophobicContact CG1-CZ 3.45Å; I1188-F1347 VanDerWaalsContact CG1-CZ 3.46Å; I1188-F1347 HydrophobicContact CG2-CZ 4.12Å |
| 1189 | E | 87.7 | Confident | 76.7 | Confident | 103 Ų | 103 | 67.1 Ų | 67.1 | 48% | 0.481 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 167.8 | -160 | 173.5 | -162.2 | 0 | 0 | 111.8 | D1185 H1186 V1191 L1192 N1193 | D1185-E1189 WeakPolarHBondContact O-CB 3.39Å; D1185-E1189 WeakPolarHBondContact O-CG 3.37Å; D1185-E1189 PolarHBondContact O-N 3.13Å; D1185-E1189 VanDerWaalsContact O-N 3.17Å; H1186-E1189 IonicContact ND1-OE2 3.15Å; H1186-E1189 PolarHBondContact O-N 3.09Å; E1189-V1191 VanDerWaalsContact C-N 3.33Å; E1189-V1191 PolarHBondContact O-N 2.99Å; E1189-L1192 PolarHBondContact O-N 3.11Å; E1189-L1192 VanDerWaalsContact O-N 3.15Å; E1189-N1193 WeakPolarHBondContact O-CB 3.37Å; E1189-N1193 VanDerWaalsContact O-CG 3.31Å; E1189-N1193 PolarHBondContact O-N 3.19Å; E1189-N1193 PolarHBondContact O-ND2 3.22Å; E1189-N1193 VanDerWaalsContact O-ND2 3.13Å |
| 1190 | D | 90 | Very high | 79.8 | Confident | 79.4 Ų | 79.4 | 58.6 Ų | 58.6 | 43% | 0.425 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.2 | -45.3 | 171.3 | -83.3 | -23.6 | 0 | 0 | 0 | 111.8 | L755 K1174 H1186 E1187 L1192 N1193 E1194 | L755-D1190 HydrophobicContact CD1-CB 3.96Å; K1174-D1190 IonicContact NZ-OD2 2.96Å; K1174-D1190 PolarHBondContact NZ-OD2 3.41Å; H1186-D1190 WeakPolarHBondContact O-CB 3.32Å; H1186-D1190 PolarHBondContact O-N 3.06Å; H1186-D1190 VanDerWaalsContact O-N 3.09Å; E1187-D1190 PolarHBondContact O-N 3.36Å; D1190-L1192 VanDerWaalsContact C-N 3.32Å; D1190-L1192 PolarHBondContact O-N 3.12Å; D1190-N1193 PolarHBondContact O-N 3.06Å; D1190-E1194 WeakPolarHBondContact O-CB 3.26Å; D1190-E1194 PolarHBondContact O-N 3.2Å |
| 1191 | V | 91 | Very high | 82.8 | Confident | 19.4 Ų | 19.4 | 51.4 Ų | 51.4 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.7 | -36.3 | 178 | 171.8 | 0 | 0 | 0 | 0 | 112 | F1055 L1056 L1171 A1172 E1187 I1188 E1189 W1195 | F1055-V1191 HydrophobicContact CD1-CG1 4.01Å; F1055-V1191 HydrophobicContact CE1-CG1 4.13Å; L1056-V1191 HydrophobicContact CD2-CG1 4.19Å; L1056-V1191 HydrophobicContact CG-CG1 4.36Å; L1171-V1191 HydrophobicContact CD2-CB 4.39Å; L1171-V1191 HydrophobicContact CD2-CG1 3.55Å; L1171-V1191 HydrophobicContact CD2-CG2 4.2Å; A1172-V1191 HydrophobicContact CB-CG2 3.62Å; E1187-V1191 VanDerWaalsContact O-CG2 3.29Å; E1187-V1191 WeakPolarHBondContact O-CG2 3.37Å; E1187-V1191 PolarHBondContact O-N 3.21Å; E1187-V1191 VanDerWaalsContact O-N 3.16Å; I1188-V1191 HydrophobicContact CD1-CB 4.45Å; I1188-V1191 PolarHBondContact O-N 3.12Å; E1189-V1191 VanDerWaalsContact C-N 3.33Å; E1189-V1191 PolarHBondContact O-N 2.99Å; V1191-W1195 VanDerWaalsContact O-CB 3.26Å; V1191-W1195 WeakPolarHBondContact O-CB 3.36Å; V1191-W1195 PolarHBondContact O-N 3.13Å |
| 1192 | L | 92.7 | Very high | 85.7 | Confident | 12.8 Ų | 12.8 | 47.1 Ų | 47.1 | 7% | 0.067 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69 | -40.1 | 175.1 | -174.9 | 76.6 | 0 | 0 | 0 | 111.6 | L1056 I1188 E1189 D1190 W1195 A1196 F1347 Q1350 I1351 | L1056-L1192 HydrophobicContact CD1-CD1 3.94Å; L1056-L1192 HydrophobicContact CD2-CB 4.36Å; L1056-L1192 HydrophobicContact CD2-CD1 4.3Å; I1188-L1192 WeakPolarHBondContact O-CB 3.36Å; I1188-L1192 PolarHBondContact O-N 3.22Å; I1188-L1192 VanDerWaalsContact O-N 3.13Å; E1189-L1192 PolarHBondContact O-N 3.11Å; E1189-L1192 VanDerWaalsContact O-N 3.15Å; D1190-L1192 VanDerWaalsContact C-N 3.32Å; D1190-L1192 PolarHBondContact O-N 3.12Å; L1192-W1195 HydrophobicContact CD1-CE3 3.95Å; L1192-W1195 HydrophobicContact CD1-CZ3 4.38Å; L1192-W1195 PolarHBondContact O-N 3.09Å; L1192-A1196 WeakPolarHBondContact O-CB 3.25Å; L1192-A1196 PolarHBondContact O-N 3.27Å; L1192-F1347 HydrophobicContact CD1-CB 4.17Å; L1192-F1347 HydrophobicContact CD1-CD1 3.62Å; L1192-F1347 HydrophobicContact CD1-CE1 4.25Å; L1192-F1347 HydrophobicContact CD1-CG 4.01Å; L1192-F1347 HydrophobicContact CD2-CD1 3.93Å; L1192-F1347 HydrophobicContact CD2-CE1 4.3Å; L1192-Q1350 HydrophobicContact CD1-CB 4.35Å; L1192-Q1350 HydrophobicContact CD2-CB 4.21Å; L1192-Q1350 VanDerWaalsContact CD2-OE1 3.29Å; L1192-I1351 HydrophobicContact CD1-CG1 4.25Å |
| 1193 | N | 92.5 | Very high | 88 | Confident | 75.8 Ų | 75.8 | 41.7 Ų | 41.7 | 41% | 0.405 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.1 | -41.3 | 175.7 | -73.9 | -46 | 0 | 0 | 0 | 112.4 | L755 E1189 D1190 W1195 A1196 N1197 | L755-N1193 HydrophobicContact CD2-CB 3.84Å; E1189-N1193 WeakPolarHBondContact O-CB 3.37Å; E1189-N1193 VanDerWaalsContact O-CG 3.31Å; E1189-N1193 PolarHBondContact O-N 3.19Å; E1189-N1193 PolarHBondContact O-ND2 3.22Å; E1189-N1193 VanDerWaalsContact O-ND2 3.13Å; D1190-N1193 PolarHBondContact O-N 3.06Å; N1193-W1195 VanDerWaalsContact C-N 3.34Å; N1193-A1196 WeakPolarHBondContact O-CB 3.42Å; N1193-A1196 PolarHBondContact O-N 3.14Å; N1193-N1197 PolarHBondContact O-N 3.11Å; N1193-N1197 PolarHBondContact O-ND2 2.89Å; N1193-N1197 PolarHBondContact O-OD1 3.47Å |
| 1194 | E | 93.2 | Very high | 89.7 | Confident | 46 Ų | 46 | 39.4 Ų | 39.4 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.3 | -40.5 | 174.1 | -174.1 | 171.7 | -131.9 | 0 | 0 | 111.1 | R603 W753 L755 D1190 A1196 N1197 M1198 | R603-E1194 IonicContact CZ-OE1 2.79Å; R603-E1194 IonicContact CZ-OE2 3.83Å; R603-E1194 VanDerWaalsContact NH1-CD 3.32Å; R603-E1194 IonicContact NH1-OE1 3.07Å; R603-E1194 PolarHBondContact NH1-OE1 3.17Å; R603-E1194 IonicContact NH1-OE2 3.03Å; R603-E1194 PolarHBondContact NH1-OE2 3.32Å; R603-E1194 IonicContact NH2-OE1 3.02Å; R603-E1194 PolarHBondContact NH2-OE1 3.16Å; W753-E1194 HydrophobicContact CE3-CG 3.88Å; W753-E1194 HydrophobicContact CZ3-CG 3.66Å; W753-E1194 WeakPolarHBondContact CZ3-OE1 3.37Å; L755-E1194 HydrophobicContact CD1-CB 4.29Å; L755-E1194 HydrophobicContact CD2-CB 4.44Å; L755-E1194 HydrophobicContact CG-CB 4.24Å; D1190-E1194 WeakPolarHBondContact O-CB 3.26Å; D1190-E1194 PolarHBondContact O-N 3.2Å; E1194-A1196 PolarHBondContact O-N 3.36Å; E1194-N1197 PolarHBondContact O-N 3.15Å; E1194-M1198 HydrophobicContact CG-CE 4.44Å; E1194-M1198 WeakPolarHBondContact O-CG 3.4Å; E1194-M1198 PolarHBondContact O-N 3.07Å |
| 1195 | W | 96 | Very high | 91 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 1% | 0.011 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.5 | -38.4 | 173.4 | 174.7 | 88.8 | 0 | 0 | 0 | 112.9 | W1049 T1053 L1056 V1191 L1192 N1193 M1198 T1199 L1339 I1351 H1354 V1355 | W1049-W1195 AromaticContact CD1-CD1 3.69Å; W1049-W1195 AromaticContact CD1-NE1 3.58Å; W1049-W1195 AromaticContact CE2-NE1 3.65Å; W1049-W1195 HydrophobicContact CZ2-CZ2 4.21Å; W1049-W1195 AromaticContact NE1-CD1 3.75Å; W1049-W1195 AromaticContact NE1-CE2 3.57Å; W1049-W1195 AromaticContact NE1-CZ2 3.93Å; W1049-W1195 AromaticContact NE1-NE1 3.15Å; W1049-W1195 VanDerWaalsContact NE1-NE1 3.15Å; T1053-W1195 PolarHBondContact OG1-NE1 3.11Å; L1056-W1195 HydrophobicContact CD1-CB 3.75Å; L1056-W1195 HydrophobicContact CD1-CD2 3.88Å; L1056-W1195 HydrophobicContact CD1-CE3 4.39Å; L1056-W1195 HydrophobicContact CD1-CG 3.56Å; V1191-W1195 VanDerWaalsContact O-CB 3.26Å; V1191-W1195 WeakPolarHBondContact O-CB 3.36Å; V1191-W1195 PolarHBondContact O-N 3.13Å; L1192-W1195 HydrophobicContact CD1-CE3 3.95Å; L1192-W1195 HydrophobicContact CD1-CZ3 4.38Å; L1192-W1195 PolarHBondContact O-N 3.09Å; N1193-W1195 VanDerWaalsContact C-N 3.34Å; W1195-M1198 HydrophobicContact CB-CE 4.38Å; W1195-M1198 PolarHBondContact O-N 3.12Å; W1195-T1199 WeakPolarHBondContact O-CB 3.46Å; W1195-T1199 PolarHBondContact O-N 3.16Å; W1195-T1199 PolarHBondContact O-OG1 3.3Å; W1195-L1339 HydrophobicContact CZ2-CD1 4.03Å; W1195-I1351 HydrophobicContact CH2-CB 4.36Å; W1195-I1351 HydrophobicContact CH2-CG1 4.25Å; W1195-I1351 HydrophobicContact CH2-CG2 3.93Å; W1195-I1351 HydrophobicContact CZ2-CG2 4.46Å; W1195-I1351 HydrophobicContact CZ3-CG1 4.27Å; W1195-H1354 HydrophobicContact CZ3-CB 4.36Å; W1195-H1354 AromaticContact CZ3-CD2 3.89Å; W1195-V1355 HydrophobicContact CH2-CG2 3.77Å; W1195-V1355 HydrophobicContact CZ2-CG2 4.34Å |
| 1196 | A | 95.1 | Very high | 91.9 | Very high | 14.4 Ų | 14.4 | 30.1 Ų | 30.1 | 12% | 0.119 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.5 | -47.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1192 N1193 E1194 M1198 T1199 G1200 H1354 | L1192-A1196 WeakPolarHBondContact O-CB 3.25Å; L1192-A1196 PolarHBondContact O-N 3.27Å; N1193-A1196 WeakPolarHBondContact O-CB 3.42Å; N1193-A1196 PolarHBondContact O-N 3.14Å; E1194-A1196 PolarHBondContact O-N 3.36Å; A1196-M1198 VanDerWaalsContact C-N 3.33Å; A1196-M1198 PolarHBondContact O-N 3.11Å; A1196-T1199 WeakPolarHBondContact O-CB 3.38Å; A1196-T1199 PolarHBondContact O-N 3.16Å; A1196-T1199 VanDerWaalsContact O-N 3.08Å; A1196-G1200 PolarHBondContact O-N 3.18Å; A1196-G1200 VanDerWaalsContact O-N 3.08Å; A1196-H1354 VanDerWaalsContact CA-NE2 3.29Å; A1196-H1354 WeakPolarHBondContact CA-NE2 3.35Å; A1196-H1354 WeakPolarHBondContact CB-NE2 3.44Å; A1196-H1354 PolarHBondContact O-NE2 3.27Å |
| 1197 | N | 94.8 | Very high | 92.2 | Very high | 36.4 Ų | 36.4 | 23.9 Ų | 23.9 | 20% | 0.195 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.3 | -42.3 | 176 | -71.3 | -12.9 | 0 | 0 | 0 | 112.5 | W753 Q1021 N1193 E1194 T1199 G1200 F1201 | W753-N1197 HydrophobicContact CB-CB 3.87Å; W753-N1197 VanDerWaalsContact O-CB 3.29Å; W753-N1197 WeakPolarHBondContact O-CB 3.28Å; W753-N1197 PolarHBondContact O-ND2 3.19Å; W753-N1197 VanDerWaalsContact O-ND2 3.11Å; Q1021-N1197 VanDerWaalsContact CD-OD1 3.27Å; Q1021-N1197 PolarHBondContact NE2-OD1 3.3Å; Q1021-N1197 PolarHBondContact OE1-OD1 2.9Å; Q1021-N1197 VanDerWaalsContact OE1-OD1 3.07Å; N1193-N1197 PolarHBondContact O-N 3.11Å; N1193-N1197 PolarHBondContact O-ND2 2.89Å; N1193-N1197 PolarHBondContact O-OD1 3.47Å; E1194-N1197 PolarHBondContact O-N 3.15Å; N1197-T1199 VanDerWaalsContact C-N 3.35Å; N1197-T1199 PolarHBondContact O-N 3.2Å; N1197-G1200 PolarHBondContact O-N 3.3Å; N1197-F1201 VanDerWaalsContact O-CB 3.29Å; N1197-F1201 WeakPolarHBondContact O-CB 3.26Å; N1197-F1201 PolarHBondContact O-N 3.36Å |
| 1198 | M | 96.4 | Very high | 92.4 | Very high | 3.6 Ų | 3.6 | 20.2 Ų | 20.2 | 2% | 0.018 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.8 | -41.2 | 173.5 | -74.8 | -169.9 | -70.9 | 0 | 0 | 112.2 | W753 T1045 I1048 W1049 E1194 W1195 A1196 G1200 F1201 L1202 | W753-M1198 HydrophobicContact CD2-CG 3.58Å; W753-M1198 HydrophobicContact CD2-SD 4.47Å; W753-M1198 HydrophobicContact CE3-CG 3.37Å; W753-M1198 HydrophobicContact CE3-SD 4.11Å; W753-M1198 HydrophobicContact CG-CG 4.23Å; W753-M1198 HydrophobicContact CH2-CG 3.86Å; W753-M1198 HydrophobicContact CH2-SD 3.52Å; W753-M1198 VanDerWaalsContact CH2-SD 3.52Å; W753-M1198 HydrophobicContact CZ2-CG 4.05Å; W753-M1198 HydrophobicContact CZ2-SD 4Å; W753-M1198 HydrophobicContact CZ3-CE 4.43Å; W753-M1198 HydrophobicContact CZ3-CG 3.51Å; W753-M1198 VanDerWaalsContact CZ3-CG 3.45Å; W753-M1198 HydrophobicContact CZ3-SD 3.57Å; W753-M1198 VanDerWaalsContact CZ3-SD 3.57Å; T1045-M1198 HydrophobicContact CG2-CB 4.09Å; T1045-M1198 HydrophobicContact CG2-CG 3.84Å; T1045-M1198 HydrophobicContact CG2-SD 4.19Å; I1048-M1198 HydrophobicContact CB-SD 3.98Å; I1048-M1198 HydrophobicContact CG2-CE 4.02Å; I1048-M1198 HydrophobicContact CG2-SD 3.57Å; I1048-M1198 VanDerWaalsContact CG2-SD 3.56Å; W1049-M1198 HydrophobicContact CB-CB 4.43Å; W1049-M1198 HydrophobicContact CB-SD 4.34Å; E1194-M1198 HydrophobicContact CG-CE 4.44Å; E1194-M1198 WeakPolarHBondContact O-CG 3.4Å; E1194-M1198 PolarHBondContact O-N 3.07Å; W1195-M1198 HydrophobicContact CB-CE 4.38Å; W1195-M1198 PolarHBondContact O-N 3.12Å; A1196-M1198 VanDerWaalsContact C-N 3.33Å; A1196-M1198 PolarHBondContact O-N 3.11Å; M1198-G1200 PolarHBondContact O-N 3.02Å; M1198-F1201 PolarHBondContact O-N 3.22Å; M1198-L1202 WeakPolarHBondContact O-CB 3.44Å; M1198-L1202 VanDerWaalsContact O-CG 3.26Å; M1198-L1202 WeakPolarHBondContact O-CG 3.37Å; M1198-L1202 PolarHBondContact O-N 3.2Å |
| 1199 | T | 96.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.7 | -49.4 | 179.1 | -55 | 0 | 0 | 0 | 0 | 110.9 | W1049 W1195 A1196 N1197 F1201 L1202 C1203 L1336 V1355 | W1049-T1199 PolarHBondContact NE1-OG1 3.23Å; W1195-T1199 WeakPolarHBondContact O-CB 3.46Å; W1195-T1199 PolarHBondContact O-N 3.16Å; W1195-T1199 PolarHBondContact O-OG1 3.3Å; A1196-T1199 WeakPolarHBondContact O-CB 3.38Å; A1196-T1199 PolarHBondContact O-N 3.16Å; A1196-T1199 VanDerWaalsContact O-N 3.08Å; N1197-T1199 VanDerWaalsContact C-N 3.35Å; N1197-T1199 PolarHBondContact O-N 3.2Å; T1199-F1201 PolarHBondContact O-N 3.23Å; T1199-L1202 PolarHBondContact O-N 3.07Å; T1199-C1203 WeakPolarHBondContact O-CB 3.43Å; T1199-C1203 PolarHBondContact O-N 3.24Å; T1199-C1203 VanDerWaalsContact O-N 3.12Å; T1199-C1203 PolarHBondContact O-SG 3Å; T1199-C1203 VanDerWaalsContact O-SG 3.39Å; T1199-L1336 HydrophobicContact CG2-CD2 3.99Å; T1199-V1355 HydrophobicContact CG2-CG2 4.47Å |
| 1200 | G | 95.9 | Very high | 91.9 | Very high | 0.4 Ų | 0.4 | 16.3 Ų | 16.3 | 0% | 0.004 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.9 | -42 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1025 A1196 N1197 M1198 L1202 C1203 A1204 E1362 | L1025-G1200 VanDerWaalsContact CD2-C 3.44Å; L1025-G1200 WeakPolarHBondContact CD2-O 3.27Å; A1196-G1200 PolarHBondContact O-N 3.18Å; A1196-G1200 VanDerWaalsContact O-N 3.08Å; N1197-G1200 PolarHBondContact O-N 3.3Å; M1198-G1200 PolarHBondContact O-N 3.02Å; G1200-L1202 PolarHBondContact O-N 3.28Å; G1200-C1203 PolarHBondContact O-N 2.96Å; G1200-A1204 WeakPolarHBondContact O-CB 3.35Å; G1200-A1204 PolarHBondContact O-N 3.32Å; G1200-E1362 VanDerWaalsContact CA-OE2 3.3Å; G1200-E1362 WeakPolarHBondContact CA-OE2 3.39Å |
| 1201 | F | 95.2 | Very high | 90.5 | Very high | 21.8 Ų | 21.8 | 18.7 Ų | 18.7 | 10% | 0.096 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.6 | -46.5 | 176.5 | 175.3 | -89.8 | 0 | 0 | 0 | 112.3 | F749 W753 L1025 L1028 A1041 T1045 N1197 M1198 T1199 C1203 A1204 L1205 | F749-F1201 HydrophobicContact CB-CE2 4.22Å; F749-F1201 HydrophobicContact CB-CZ 4.02Å; F749-F1201 HydrophobicContact CD1-CE2 4.13Å; F749-F1201 HydrophobicContact CD1-CZ 4.35Å; F749-F1201 WeakPolarHBondContact O-CE2 3.38Å; W753-F1201 HydrophobicContact CB-CB 4.36Å; W753-F1201 AromaticContact CD1-CD1 3.98Å; W753-F1201 AromaticContact CD1-CD2 3.73Å; W753-F1201 AromaticContact CD1-CG 3.7Å; W753-F1201 HydrophobicContact CG-CG 4.48Å; L1025-F1201 HydrophobicContact CD2-CB 4.43Å; L1028-F1201 HydrophobicContact CD1-CD2 3.48Å; L1028-F1201 VanDerWaalsContact CD1-CD2 3.47Å; L1028-F1201 HydrophobicContact CD1-CE2 3.84Å; L1028-F1201 HydrophobicContact CD1-CG 4.38Å; A1041-F1201 HydrophobicContact CB-CZ 4.47Å; T1045-F1201 HydrophobicContact CG2-CD1 3.82Å; T1045-F1201 HydrophobicContact CG2-CE1 4.15Å; T1045-F1201 WeakPolarHBondContact OG1-CE1 3.46Å; N1197-F1201 VanDerWaalsContact O-CB 3.29Å; N1197-F1201 WeakPolarHBondContact O-CB 3.26Å; N1197-F1201 PolarHBondContact O-N 3.36Å; M1198-F1201 PolarHBondContact O-N 3.22Å; T1199-F1201 PolarHBondContact O-N 3.23Å; F1201-C1203 VanDerWaalsContact C-N 3.34Å; F1201-C1203 PolarHBondContact O-N 3Å; F1201-A1204 PolarHBondContact O-N 3.04Å; F1201-L1205 HydrophobicContact CD1-CD1 4.44Å; F1201-L1205 HydrophobicContact CD2-CD1 4.16Å; F1201-L1205 HydrophobicContact CE1-CD1 3.89Å; F1201-L1205 HydrophobicContact CE1-CD2 4.1Å; F1201-L1205 HydrophobicContact CE2-CD1 3.85Å; F1201-L1205 HydrophobicContact CE2-CD2 3.99Å; F1201-L1205 HydrophobicContact CZ-CD1 3.72Å; F1201-L1205 VanDerWaalsContact CZ-CD1 3.43Å; F1201-L1205 HydrophobicContact CZ-CD2 3.7Å; F1201-L1205 VanDerWaalsContact CZ-CD2 3.44Å; F1201-L1205 WeakPolarHBondContact O-CB 3.48Å; F1201-L1205 PolarHBondContact O-N 3.06Å |
| 1202 | L | 95.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.7 | -36.5 | 179.2 | -69.4 | 169.5 | 0 | 0 | 0 | 112.3 | W1042 T1045 Y1046 W1049 M1198 T1199 G1200 G1206 F1332 | W1042-L1202 HydrophobicContact CD2-CD2 3.91Å; W1042-L1202 HydrophobicContact CG-CD2 3.91Å; W1042-L1202 HydrophobicContact CZ2-CD2 4.25Å; W1042-L1202 PolarHBondContact NE1-O 3.01Å; W1042-L1202 WeakPolarHBondContact O-CD2 3.35Å; T1045-L1202 HydrophobicContact CG2-CD1 4.35Å; T1045-L1202 HydrophobicContact CG2-CD2 4.08Å; T1045-L1202 HydrophobicContact CG2-CG 4.07Å; Y1046-L1202 HydrophobicContact CD2-CD1 4.4Å; W1049-L1202 HydrophobicContact CB-CD1 3.7Å; W1049-L1202 HydrophobicContact CD2-CD1 4.25Å; W1049-L1202 HydrophobicContact CG-CD1 3.75Å; M1198-L1202 WeakPolarHBondContact O-CB 3.44Å; M1198-L1202 VanDerWaalsContact O-CG 3.26Å; M1198-L1202 WeakPolarHBondContact O-CG 3.37Å; M1198-L1202 PolarHBondContact O-N 3.2Å; T1199-L1202 PolarHBondContact O-N 3.07Å; G1200-L1202 PolarHBondContact O-N 3.28Å; L1202-G1206 WeakPolarHBondContact O-CA 3.35Å; L1202-G1206 PolarHBondContact O-N 3.17Å; L1202-G1206 VanDerWaalsContact O-N 3.1Å; L1202-F1332 HydrophobicContact CB-CD1 4.47Å; L1202-F1332 HydrophobicContact CB-CE1 3.73Å; L1202-F1332 HydrophobicContact CB-CE2 3.8Å; L1202-F1332 HydrophobicContact CB-CZ 3.31Å; L1202-F1332 HydrophobicContact CD1-CD2 4.3Å; L1202-F1332 HydrophobicContact CD1-CE2 3.75Å; L1202-F1332 HydrophobicContact CD1-CZ 4.17Å; L1202-F1332 HydrophobicContact CG-CE2 4.42Å; L1202-F1332 HydrophobicContact CG-CZ 4.38Å |
| 1203 | C | 94.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | 172.4 | -74.5 | 0 | 0 | 0 | 0 | 112.5 | T1199 G1200 F1201 E1362 L1363 N1364 | T1199-C1203 WeakPolarHBondContact O-CB 3.43Å; T1199-C1203 PolarHBondContact O-N 3.24Å; T1199-C1203 VanDerWaalsContact O-N 3.12Å; T1199-C1203 PolarHBondContact O-SG 3Å; T1199-C1203 VanDerWaalsContact O-SG 3.39Å; G1200-C1203 PolarHBondContact O-N 2.96Å; F1201-C1203 VanDerWaalsContact C-N 3.34Å; F1201-C1203 PolarHBondContact O-N 3Å; C1203-E1362 CarbonylContact C-O 3.47Å; C1203-E1362 HydrophobicContact CB-CB 4.46Å; C1203-L1363 HydrophobicContact CB-CB 4.47Å; C1203-L1363 HydrophobicContact CB-CD1 4.14Å; C1203-L1363 WeakPolarHBondContact O-CA 3.36Å; C1203-N1364 PolarHBondContact O-N 3.06Å |
| 1204 | A | 92.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -71.2 | -38.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1025 L1028 R1029 G1200 F1201 E1362 N1364 | L1025-A1204 HydrophobicContact CB-CB 4.3Å; L1025-A1204 HydrophobicContact CD2-CB 4.08Å; L1028-A1204 HydrophobicContact CB-CB 3.85Å; R1029-A1204 WeakPolarHBondContact CA-O 3.11Å; R1029-A1204 HydrophobicContact CG-CB 3.88Å; G1200-A1204 WeakPolarHBondContact O-CB 3.35Å; G1200-A1204 PolarHBondContact O-N 3.32Å; F1201-A1204 PolarHBondContact O-N 3.04Å; A1204-E1362 VanDerWaalsContact CA-O 3.27Å; A1204-E1362 WeakPolarHBondContact CA-O 3.39Å; A1204-E1362 PolarHBondContact N-O 3.33Å; A1204-N1364 PolarHBondContact O-ND2 2.91Å |
| 1205 | L | 91.9 | Very high | 80.9 | Confident | 1.8 Ų | 1.8 | 28.7 Ų | 28.7 | 1% | 0.009 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -98.2 | -2.9 | -175.2 | -134.4 | 120.1 | 0 | 0 | 0 | 114.5 | F749 L1028 I1031 W1042 F1201 S1207 V1208 | F749-L1205 HydrophobicContact CD1-CD2 4.04Å; F749-L1205 HydrophobicContact CE1-CD2 4.22Å; L1028-L1205 HydrophobicContact CB-CD1 4.4Å; L1028-L1205 HydrophobicContact CB-CD2 4.38Å; L1028-L1205 HydrophobicContact CB-CG 4.14Å; L1028-L1205 HydrophobicContact CD1-CD1 4.25Å; L1028-L1205 HydrophobicContact CD1-CG 4.25Å; L1028-L1205 HydrophobicContact CD2-CD1 4.19Å; L1028-L1205 HydrophobicContact CD2-CD2 4.1Å; L1028-L1205 HydrophobicContact CD2-CG 4.09Å; L1028-L1205 HydrophobicContact CG-CG 4.38Å; I1031-L1205 HydrophobicContact CB-CD1 3.87Å; I1031-L1205 HydrophobicContact CB-CD2 3.92Å; I1031-L1205 HydrophobicContact CD1-CD1 3.97Å; I1031-L1205 HydrophobicContact CD1-CD2 3.97Å; I1031-L1205 HydrophobicContact CG1-CD1 4.43Å; I1031-L1205 HydrophobicContact CG1-CD2 4.46Å; I1031-L1205 HydrophobicContact CG2-CD1 3.93Å; I1031-L1205 HydrophobicContact CG2-CD2 4.05Å; W1042-L1205 HydrophobicContact CB-CD2 3.84Å; W1042-L1205 HydrophobicContact CG-CD2 4.25Å; F1201-L1205 HydrophobicContact CD1-CD1 4.44Å; F1201-L1205 HydrophobicContact CD2-CD1 4.16Å; F1201-L1205 HydrophobicContact CE1-CD1 3.89Å; F1201-L1205 HydrophobicContact CE1-CD2 4.1Å; F1201-L1205 HydrophobicContact CE2-CD1 3.85Å; F1201-L1205 HydrophobicContact CE2-CD2 3.99Å; F1201-L1205 HydrophobicContact CZ-CD1 3.72Å; F1201-L1205 VanDerWaalsContact CZ-CD1 3.43Å; F1201-L1205 HydrophobicContact CZ-CD2 3.7Å; F1201-L1205 VanDerWaalsContact CZ-CD2 3.44Å; F1201-L1205 WeakPolarHBondContact O-CB 3.48Å; F1201-L1205 PolarHBondContact O-N 3.06Å; L1205-S1207 PolarHBondContact O-N 3.02Å; L1205-S1207 PolarHBondContact O-OG 2.98Å; L1205-V1208 HydrophobicContact CD1-CG1 3.74Å; L1205-V1208 HydrophobicContact CD1-CG2 4.22Å; L1205-V1208 HydrophobicContact CD2-CG1 4.5Å; L1205-V1208 HydrophobicContact CD2-CG2 3.95Å; L1205-V1208 HydrophobicContact CG-CG1 4.29Å; L1205-V1208 HydrophobicContact CG-CG2 3.99Å; L1205-V1208 VanDerWaalsContact O-CB 3.28Å; L1205-V1208 WeakPolarHBondContact O-CB 3.4Å; L1205-V1208 WeakPolarHBondContact O-CG2 3.3Å; L1205-V1208 PolarHBondContact O-N 3.03Å; L1205-V1208 VanDerWaalsContact O-N 3.13Å |
| 1206 | G | 89.4 | Confident | 77.7 | Confident | 0.2 Ų | 0.2 | 34.2 Ų | 34.2 | 0% | 0.002 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -60.3 | -15.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | W1042 L1202 V1208 A1209 V1329 | W1042-G1206 VanDerWaalsContact NE1-CA 3.31Å; L1202-G1206 WeakPolarHBondContact O-CA 3.35Å; L1202-G1206 PolarHBondContact O-N 3.17Å; L1202-G1206 VanDerWaalsContact O-N 3.1Å; G1206-V1208 VanDerWaalsContact C-N 3.26Å; G1206-V1208 PolarHBondContact O-N 2.98Å; G1206-A1209 PolarHBondContact O-N 3.16Å; G1206-V1329 WeakPolarHBondContact O-CG2 3.39Å |
| 1207 | S | 86.8 | Confident | 74.7 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.028 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -52.9 | -38.5 | 167.3 | 45 | 0 | 0 | 0 | 0 | 112.9 | I1031 L1205 A1209 L1210 N1364 | I1031-S1207 PolarHBondContact O-OG 2.89Å; L1205-S1207 PolarHBondContact O-N 3.02Å; L1205-S1207 PolarHBondContact O-OG 2.98Å; S1207-A1209 VanDerWaalsContact C-N 3.28Å; S1207-A1209 PolarHBondContact O-N 3.08Å; S1207-L1210 WeakPolarHBondContact O-CB 3.28Å; S1207-L1210 WeakPolarHBondContact O-CG 3.49Å; S1207-L1210 PolarHBondContact O-N 3.3Å; S1207-L1210 VanDerWaalsContact O-N 3.12Å; S1207-N1364 WeakPolarHBondContact CB-ND2 3.46Å; S1207-N1364 PolarHBondContact OG-ND2 3.13Å; S1207-N1364 VanDerWaalsContact OG-ND2 3.14Å |
| 1208 | V | 86.1 | Confident | 71.6 | Confident | 0.8 Ų | 0.8 | 41.8 Ų | 41.8 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -72 | -17.6 | -174.6 | -86.9 | 0 | 0 | 0 | 0 | 113.4 | I1031 Q1034 N1038 K1039 W1042 L1205 G1206 | I1031-V1208 HydrophobicContact CG2-CG1 3.75Å; I1031-V1208 HydrophobicContact CG2-CG2 3.83Å; Q1034-V1208 HydrophobicContact CG-CG1 4.27Å; Q1034-V1208 WeakPolarHBondContact CG-O 3.28Å; Q1034-V1208 PolarHBondContact NE2-O 2.77Å; Q1034-V1208 PolarHBondContact OE1-O 3.09Å; N1038-V1208 HydrophobicContact CB-CB 4.12Å; N1038-V1208 HydrophobicContact CB-CG1 4.16Å; N1038-V1208 HydrophobicContact CB-CG2 4.17Å; N1038-V1208 VanDerWaalsContact OD1-CB 3.27Å; N1038-V1208 WeakPolarHBondContact OD1-CB 3.46Å; N1038-V1208 WeakPolarHBondContact OD1-CG1 3.2Å; N1038-V1208 WeakPolarHBondContact OD1-CG2 3.32Å; K1039-V1208 HydrophobicContact CB-CG1 4.05Å; W1042-V1208 HydrophobicContact CB-CG2 4.26Å; L1205-V1208 HydrophobicContact CD1-CG1 3.74Å; L1205-V1208 HydrophobicContact CD1-CG2 4.22Å; L1205-V1208 HydrophobicContact CD2-CG1 4.5Å; L1205-V1208 HydrophobicContact CD2-CG2 3.95Å; L1205-V1208 HydrophobicContact CG-CG1 4.29Å; L1205-V1208 HydrophobicContact CG-CG2 3.99Å; L1205-V1208 VanDerWaalsContact O-CB 3.28Å; L1205-V1208 WeakPolarHBondContact O-CB 3.4Å; L1205-V1208 WeakPolarHBondContact O-CG2 3.3Å; L1205-V1208 PolarHBondContact O-N 3.03Å; L1205-V1208 VanDerWaalsContact O-N 3.13Å; G1206-V1208 VanDerWaalsContact C-N 3.26Å; G1206-V1208 PolarHBondContact O-N 2.98Å |
| 1209 | A | 82.7 | Confident | 68.4 | Low | 5.6 Ų | 5.6 | 46.2 Ų | 46.2 | 5% | 0.046 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -100 | 4.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | W1042 G1206 S1207 V1329 | W1042-A1209 HydrophobicContact CD2-CB 3.71Å; W1042-A1209 HydrophobicContact CE3-CB 3.5Å; W1042-A1209 VanDerWaalsContact CE3-CB 3.46Å; W1042-A1209 HydrophobicContact CG-CB 4.24Å; W1042-A1209 HydrophobicContact CH2-CB 4.41Å; W1042-A1209 HydrophobicContact CZ3-CB 3.93Å; G1206-A1209 PolarHBondContact O-N 3.16Å; S1207-A1209 VanDerWaalsContact C-N 3.28Å; S1207-A1209 PolarHBondContact O-N 3.08Å; A1209-V1329 HydrophobicContact CB-CG2 3.46Å; A1209-V1329 VanDerWaalsContact CB-CG2 3.46Å |
| 1210 | L | 80.5 | Confident | 65.1 | Low | 17.8 Ų | 17.8 | 52.1 Ų | 52.1 | 9% | 0.093 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -79.6 | 127.6 | 167.2 | -60 | 178.1 | 0 | 0 | 0 | 109.5 | Q1034 S1207 I1212 V1329 L1366 I1367 I1370 | Q1034-L1210 PolarHBondContact NE2-O 3.2Å; S1207-L1210 WeakPolarHBondContact O-CB 3.28Å; S1207-L1210 WeakPolarHBondContact O-CG 3.49Å; S1207-L1210 PolarHBondContact O-N 3.3Å; S1207-L1210 VanDerWaalsContact O-N 3.12Å; L1210-I1212 HydrophobicContact CB-CD1 4.14Å; L1210-I1212 HydrophobicContact CB-CG1 3.8Å; L1210-I1212 HydrophobicContact CD1-CD1 4.28Å; L1210-I1212 PolarHBondContact O-N 3.24Å; L1210-V1329 HydrophobicContact CD2-CB 3.89Å; L1210-V1329 HydrophobicContact CD2-CG1 3.96Å; L1210-V1329 HydrophobicContact CD2-CG2 3.95Å; L1210-V1329 HydrophobicContact CG-CG2 4.41Å; L1210-L1366 HydrophobicContact CD1-CB 4.27Å; L1210-I1367 HydrophobicContact CD1-CG1 4.19Å; L1210-I1370 HydrophobicContact CD1-CD1 4.4Å; L1210-I1370 HydrophobicContact CD2-CD1 3.56Å; L1210-I1370 VanDerWaalsContact CD2-CD1 3.48Å |
| 1211 | N | 61.7 | Low | 61.9 | Low | 129 Ų | 129 | 56.6 Ų | 56.6 | 69% | 0.69 | 36% | 0.356 | S | S | * | . | trans | -78.2 | 63.4 | 175.3 | -107.5 | 5 | 0 | 0 | 0 | 110.8 | K1039 P1213 | K1039-N1211 PolarHBondContact NZ-OD1 3.2Å; N1211-P1213 WeakPolarHBondContact O-CD 3.3Å | ||
| 1212 | I | 57.1 | Low | 58.8 | Low | 68.6 Ų | 68.6 | 63.2 Ų | 63.2 | 35% | 0.352 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 121.2 | 176.3 | -52.8 | 175.5 | 0 | 0 | 0 | 107.9 | L1210 L1215 L1315 L1366 | L1210-I1212 HydrophobicContact CB-CD1 4.14Å; L1210-I1212 HydrophobicContact CB-CG1 3.8Å; L1210-I1212 HydrophobicContact CD1-CD1 4.28Å; L1210-I1212 PolarHBondContact O-N 3.24Å; I1212-L1215 HydrophobicContact CG2-CD1 3.93Å; I1212-L1315 HydrophobicContact CG2-CD1 4.42Å; I1212-L1366 HydrophobicContact CD1-CD1 4.24Å; I1212-L1366 HydrophobicContact CD1-CD2 4.2Å |
| 1213 | P | 40.1 | Very low | 55.7 | Low | 83.4 Ų | 83.4 | 69 Ų | 69 | 54% | 0.542 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 134.2 | 171 | -22.9 | 33.9 | 0 | 0 | 0 | 109.7 | N1211 L1215 L1315 | N1211-P1213 WeakPolarHBondContact O-CD 3.3Å; P1213-L1215 PolarHBondContact O-N 3.1Å; P1213-L1315 HydrophobicContact CB-CD2 4.4Å; P1213-L1315 HydrophobicContact CG-CD2 4.08Å |
| 1214 | P | 35.3 | Very low | 52.6 | Low | 120.6 Ų | 120.6 | 73.7 Ų | 73.7 | 78% | 0.783 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 118.3 | -177.8 | 24.7 | -33.3 | 0 | 0 | 0 | 109.7 | P1216 | P1214-P1216 WeakPolarHBondContact O-CD 3.35Š|
| 1215 | L | 34 | Very low | 49.6 | Very low | 90.8 Ų | 90.8 | 82.4 Ų | 82.4 | 48% | 0.475 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 134 | 170.7 | -91.9 | 75.5 | 0 | 0 | 0 | 108.1 | I1212 P1213 Q1217 T1308 L1315 | I1212-L1215 HydrophobicContact CG2-CD1 3.93Å; P1213-L1215 PolarHBondContact O-N 3.1Å; L1215-Q1217 VanDerWaalsContact C-N 3.27Å; L1215-Q1217 PolarHBondContact O-N 3.15Å; L1215-Q1217 VanDerWaalsContact O-N 3.15Å; L1215-T1308 HydrophobicContact CD2-CG2 4.31Å; L1215-L1315 HydrophobicContact CD1-CD1 3.83Å |
| 1216 | P | 29.9 | Very low | 46.7 | Very low | 118.2 Ų | 118.2 | 90.3 Ų | 90.3 | 77% | 0.768 | 55% | 0.546 | S | S | * | . | trans | -61.1 | 105.4 | 164.5 | -1.1 | 6.8 | 0 | 0 | 0 | 108.2 | P1214 G1218 | P1214-P1216 WeakPolarHBondContact O-CD 3.35Å; P1216-G1218 VanDerWaalsContact C-N 3.3Å; P1216-G1218 PolarHBondContact O-N 3.16Å | ||
| 1217 | Q | 32.3 | Very low | 43.8 | Very low | 140.4 Ų | 140.4 | 94.8 Ų | 94.8 | 66% | 0.656 | 58% | 0.583 | S | S | * | * | trans | -64.8 | 108.2 | 165.8 | -71.9 | -174.1 | -4.1 | 0 | 0 | 106.8 | D994 H1033 L1215 S1219 | D994-Q1217 PolarHBondContact OD1-NE2 2.89Å; H1033-Q1217 VanDerWaalsContact CE1-CD 3.48Å; H1033-Q1217 PolarHBondContact CE1-NE2 3.19Å; H1033-Q1217 PolarHBondContact CE1-OE1 2.94Å; H1033-Q1217 VanDerWaalsContact CE1-OE1 3.28Å; H1033-Q1217 PolarHBondContact NE2-NE2 3.33Å; H1033-Q1217 PolarHBondContact NE2-OE1 2.66Å; L1215-Q1217 VanDerWaalsContact C-N 3.27Å; L1215-Q1217 PolarHBondContact O-N 3.15Å; L1215-Q1217 VanDerWaalsContact O-N 3.15Å; Q1217-S1219 WeakPolarHBondContact CB-OG 3.45Å; Q1217-S1219 PolarHBondContact O-N 3.33Å; Q1217-S1219 VanDerWaalsContact O-N 3.16Å; Q1217-S1219 PolarHBondContact O-OG 2.81Å | ||
| 1218 | G | 28.5 | Very low | 41 | Very low | 70.8 Ų | 70.8 | 99.9 Ų | 99.9 | 73% | 0.73 | 62% | 0.619 | S | S | * | * | trans | -67.6 | 91.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | P1216 S1220 | P1216-G1218 VanDerWaalsContact C-N 3.3Å; P1216-G1218 PolarHBondContact O-N 3.16Å; G1218-S1220 PolarHBondContact O-N 3.01Å; G1218-S1220 PolarHBondContact O-OG 3.06Å | ||
| 1219 | S | 29.6 | Very low | 38.4 | Very low | 96 Ų | 96 | 105.5 Ų | 105.5 | 67% | 0.671 | 66% | 0.658 | S | S | * | * | trans | -72.8 | 124.1 | 166.2 | 48 | 0 | 0 | 0 | 0 | 109.2 | Q1217 S1221 | Q1217-S1219 WeakPolarHBondContact CB-OG 3.45Å; Q1217-S1219 PolarHBondContact O-N 3.33Å; Q1217-S1219 VanDerWaalsContact O-N 3.16Å; Q1217-S1219 PolarHBondContact O-OG 2.81Å; S1219-S1221 VanDerWaalsContact C-N 3.28Å; S1219-S1221 WeakPolarHBondContact CB-OG 3.35Å; S1219-S1221 PolarHBondContact O-N 3.26Å; S1219-S1221 PolarHBondContact O-OG 3.25Å; S1219-S1221 VanDerWaalsContact O-OG 3.04Å; S1219-S1221 PolarHBondContact OG-OG 3.49Å | ||
| 1220 | S | 28.8 | Very low | 35.8 | Very low | 123.4 Ų | 123.4 | 108.5 Ų | 108.5 | 86% | 0.863 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -73.3 | 89.9 | -178.8 | 42 | 0 | 0 | 0 | 0 | 111.5 | G1218 L1222 | G1218-S1220 PolarHBondContact O-N 3.01Å; G1218-S1220 PolarHBondContact O-OG 3.06Å; S1220-L1222 VanDerWaalsContact C-N 3.34Å; S1220-L1222 PolarHBondContact O-N 3.08Å; S1220-L1222 VanDerWaalsContact O-N 3.07Å |
| 1221 | S | 27.8 | Very low | 33.5 | Very low | 95.2 Ų | 95.2 | 118.9 Ų | 118.9 | 67% | 0.666 | 73% | 0.729 | S | S | * | * | trans | -134.7 | 60.1 | 176.2 | 59.1 | 0 | 0 | 0 | 0 | 112.9 | S1219 | S1219-S1221 VanDerWaalsContact C-N 3.28Å; S1219-S1221 WeakPolarHBondContact CB-OG 3.35Å; S1219-S1221 PolarHBondContact O-N 3.26Å; S1219-S1221 PolarHBondContact O-OG 3.25Å; S1219-S1221 VanDerWaalsContact O-OG 3.04Å; S1219-S1221 PolarHBondContact OG-OG 3.49Å | ||
| 1222 | L | 30.5 | Very low | 31.9 | Very low | 161.2 Ų | 161.2 | 118.3 Ų | 118.3 | 84% | 0.844 | 74% | 0.735 | S | S | * | * | trans | -116.6 | 81.6 | 164.4 | -135.4 | 77 | 0 | 0 | 0 | 111.3 | S1220 | S1220-L1222 VanDerWaalsContact C-N 3.34Å; S1220-L1222 PolarHBondContact O-N 3.08Å; S1220-L1222 VanDerWaalsContact O-N 3.07Å | ||
| 1223 | S | 29.5 | Very low | 30.5 | Very low | 120.4 Ų | 120.4 | 120.9 Ų | 120.9 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | trans | -137.1 | 83.8 | 169.1 | -112.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1224 | S | 28.4 | Very low | 29.9 | Very low | 100.2 Ų | 100.2 | 122.8 Ų | 122.8 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | -142.5 | 67.4 | 178.6 | 58.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1225 | Q | 31 | Very low | 29.6 | Very low | 181.2 Ų | 181.2 | 124.4 Ų | 124.4 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -142.7 | 104.8 | 173.2 | -75.8 | -174.5 | -11 | 0 | 0 | 113.1 | ||
| 1226 | I | 30.4 | Very low | 29.5 | Very low | 169 Ų | 169 | 126.8 Ų | 126.8 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -133.2 | 92.7 | -177.6 | -54.9 | 164.1 | 0 | 0 | 0 | 111.3 | ||
| 1227 | A | 28.8 | Very low | 29.5 | Very low | 94.4 Ų | 94.4 | 130.5 Ų | 130.5 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | trans | -148.8 | 79.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1228 | S | 28.9 | Very low | 29.5 | Very low | 110.4 Ų | 110.4 | 130.8 Ų | 130.8 | 77% | 0.772 | 80% | 0.795 | S | S | * | * | trans | -140.3 | 95.9 | 178.4 | 54.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1229 | S | 31.1 | Very low | 29.5 | Very low | 119 Ų | 119 | 137 Ų | 137 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | 159.8 | 106.2 | 160.1 | 65.7 | 0 | 0 | 0 | 0 | 114.1 | Y1231 | S1229-Y1231 VanDerWaalsContact C-N 3.25Å; S1229-Y1231 PolarHBondContact O-N 3.16Å | ||
| 1230 | G | 28.2 | Very low | 29.6 | Very low | 68.6 Ų | 68.6 | 137.8 Ų | 137.8 | 71% | 0.707 | 81% | 0.805 | S | S | * | * | trans | -166.2 | 100.6 | 137.3 | 0 | 0 | 0 | 0 | 0 | 114 | S1232 | G1230-S1232 PolarHBondContact O-N 3.46Å; G1230-S1232 VanDerWaalsContact O-N 3.09Å | ||
| 1231 | Y | 32 | Very low | 29.7 | Very low | 235.6 Ų | 235.6 | 141.2 Ų | 141.2 | 92% | 0.924 | 81% | 0.807 | S | S | * | * | trans | -122.2 | 135.8 | 148.4 | -81.1 | -77.8 | 0 | 0 | 0 | 112.7 | S1229 C1233 | S1229-Y1231 VanDerWaalsContact C-N 3.25Å; S1229-Y1231 PolarHBondContact O-N 3.16Å; Y1231-C1233 PolarHBondContact O-N 2.87Å | ||
| 1232 | S | 28 | Very low | 29.7 | Very low | 117.2 Ų | 117.2 | 145.4 Ų | 145.4 | 82% | 0.82 | 82% | 0.816 | S | S | * | * | trans | -112.4 | 133.1 | 165.1 | -172.8 | 0 | 0 | 0 | 0 | 112.7 | G1230 | G1230-S1232 PolarHBondContact O-N 3.46Å; G1230-S1232 VanDerWaalsContact O-N 3.09Å | ||
| 1233 | C | 27.5 | Very low | 29.7 | Very low | 123.2 Ų | 123.2 | 145.9 Ų | 145.9 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -132.2 | 123.5 | 161.1 | -166.5 | 0 | 0 | 0 | 0 | 108.8 | Y1231 | Y1231-C1233 PolarHBondContact O-N 2.87Š| ||
| 1234 | D | 28.3 | Very low | 29.6 | Very low | 122.8 Ų | 122.8 | 148.1 Ų | 148.1 | 66% | 0.657 | 82% | 0.815 | S | S | * | * | trans | -134.9 | 162.2 | 146.7 | -158.4 | 8.8 | 0 | 0 | 0 | 114.7 | T1236 | D1234-T1236 PolarHBondContact O-N 2.9Š| ||
| 1235 | Q | 28.8 | Very low | 29.5 | Very low | 154.8 Ų | 154.8 | 148.7 Ų | 148.7 | 72% | 0.723 | 82% | 0.817 | S | S | * | * | trans | 22.6 | 127.6 | 176.1 | -69.3 | 162.2 | 69.9 | 0 | 0 | 117.1 | ||||
| 1236 | T | 32.3 | Very low | 29.5 | Very low | 141.6 Ų | 141.6 | 145.6 Ų | 145.6 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | -167.7 | 155 | 116.1 | 39.2 | 0 | 0 | 0 | 0 | 114 | D1234 | D1234-T1236 PolarHBondContact O-N 2.9Š| |||
| 1237 | K | 28.1 | Very low | 29.4 | Very low | 194.4 Ų | 194.4 | 145.4 Ų | 145.4 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -75 | 132.3 | -179.7 | -58.8 | 164 | -179.5 | 169 | 0 | 113.6 | ||||
| 1238 | T | 32.8 | Very low | 29.4 | Very low | 147.8 Ų | 147.8 | 151.3 Ų | 151.3 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | trans | -157.8 | 157.7 | 133 | 27.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1239 | K | 27.9 | Very low | 29.4 | Very low | 201.2 Ų | 201.2 | 153.1 Ų | 153.1 | 88% | 0.875 | 81% | 0.808 | S | S | * | * | trans | -114.2 | 162.6 | -179.7 | -113.4 | -171.7 | 175.8 | -178.6 | 0 | 110 | ||||
| 1240 | P | 33.2 | Very low | 29.2 | Very low | 112 Ų | 112 | 157 Ų | 157 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | -108.6 | 171.8 | -118.1 | 39.1 | -30.6 | 0 | 0 | 0 | 113.5 | |||||
| 1241 | Q | 31.2 | Very low | 29.1 | Very low | 196 Ų | 196 | 158.8 Ų | 158.8 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | trans | -150 | 155.5 | 144.6 | -98.3 | -179.2 | -13.5 | 0 | 0 | 111.6 | ||||
| 1242 | Q | 27.4 | Very low | 29 | Very low | 183 Ų | 183 | 152.4 Ų | 152.4 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -94.6 | 142 | -174.1 | -60.4 | 160.7 | -69.4 | 0 | 0 | 111.7 | ||||
| 1243 | I | 29.6 | Very low | 29 | Very low | 172 Ų | 172 | 155 Ų | 155 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | -139.4 | 132.1 | 150.7 | -69.6 | 176.4 | 0 | 0 | 0 | 107.2 | ||||
| 1244 | H | 27.9 | Very low | 29 | Very low | 165.8 Ų | 165.8 | 156.8 Ų | 156.8 | 77% | 0.768 | 79% | 0.791 | S | S | * | * | trans | -81.8 | 132.7 | 172.8 | -123.5 | 45.9 | 0 | 0 | 0 | 111.8 | ||||
| 1245 | C | 25.4 | Very low | 29 | Very low | 112.4 Ų | 112.4 | 158.3 Ų | 158.3 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | -155.2 | 158.4 | 137.2 | -99.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 1246 | P | 31.5 | Very low | 29.1 | Very low | 115.8 Ų | 115.8 | 158.6 Ų | 158.6 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | -104.2 | 167 | -132.1 | 27.7 | -17.2 | 0 | 0 | 0 | 114 | ||||
| 1247 | H | 28.5 | Very low | 28.9 | Very low | 165.4 Ų | 165.4 | 158.2 Ų | 158.2 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | trans | -81.9 | 132.5 | 165.9 | -95.7 | 72.6 | 0 | 0 | 0 | 113.4 | H1249 | H1247-H1249 PolarHBondContact O-N 3.12Š| ||
| 1248 | Y | 28 | Very low | 28.9 | Very low | 218 Ų | 218 | 157.2 Ų | 157.2 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -135.4 | 115.5 | 150.2 | -106.9 | -80.7 | 0 | 0 | 0 | 112.1 | ||||
| 1249 | H | 28.7 | Very low | 28.9 | Very low | 149 Ų | 149 | 156.2 Ų | 156.2 | 69% | 0.69 | 79% | 0.788 | S | S | * | * | trans | -146.4 | 128.7 | -174.8 | -148.6 | -88.3 | 0 | 0 | 0 | 111.3 | H1247 | H1247-H1249 PolarHBondContact O-N 3.12Š| ||
| 1250 | Y | 27 | Very low | 29 | Very low | 200.2 Ų | 200.2 | 154.6 Ų | 154.6 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | 178.4 | 112.5 | 168.7 | -130.8 | -98.2 | 0 | 0 | 0 | 112.2 | ||||
| 1251 | C | 27.5 | Very low | 28.8 | Very low | 106.2 Ų | 106.2 | 157 Ų | 157 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | -164.6 | 116 | 115.7 | -158.9 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1252 | S | 28.7 | Very low | 28.7 | Very low | 100.6 Ų | 100.6 | 155.6 Ų | 155.6 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -99.3 | 137.3 | 174.1 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1253 | Q | 29 | Very low | 28.8 | Very low | 172.4 Ų | 172.4 | 155.6 Ų | 155.6 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | 105.1 | 87.5 | 169.7 | -89 | 154.6 | -32.1 | 0 | 0 | 115.4 | ||||
| 1254 | H | 27.9 | Very low | 28.7 | Very low | 162.4 Ų | 162.4 | 153 Ų | 153 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | 164.3 | 65.1 | 140.2 | -123 | -72.3 | 0 | 0 | 0 | 113.8 | D1257 | H1254-D1257 IonicContact CE1-OD2 2.79Š| ||
| 1255 | L | 28.6 | Very low | 28.8 | Very low | 154 Ų | 154 | 150.5 Ų | 150.5 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | trans | -149.6 | 44.7 | 165.6 | -128.1 | 163.1 | 0 | 0 | 0 | 112.5 | ||||
| 1256 | L | 30.2 | Very low | 29 | Very low | 159.4 Ų | 159.4 | 151.6 Ų | 151.6 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -122.6 | 34.3 | 163.7 | -132.9 | 77.6 | 0 | 0 | 0 | 111.2 | H1258 V1259 | L1256-H1258 VanDerWaalsContact C-N 3.33Å; L1256-H1258 PolarHBondContact O-N 2.69Å; L1256-V1259 PolarHBondContact O-N 3.46Å |
| 1257 | D | 27.7 | Very low | 28.8 | Very low | 134.8 Ų | 134.8 | 151.6 Ų | 151.6 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -130.3 | 118.8 | 174.7 | -80.9 | -49.6 | 0 | 0 | 0 | 111.1 | H1254 V1259 | H1254-D1257 IonicContact CE1-OD2 2.79Å; D1257-V1259 VanDerWaalsContact C-N 3.33Å; D1257-V1259 PolarHBondContact O-N 3.16Å |
| 1258 | H | 29 | Very low | 28.9 | Very low | 173.8 Ų | 173.8 | 151.4 Ų | 151.4 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | trans | 64 | 67.3 | -179.6 | -80.8 | -79.4 | 0 | 0 | 0 | 115.1 | L1256 | L1256-H1258 VanDerWaalsContact C-N 3.33Å; L1256-H1258 PolarHBondContact O-N 2.69Å | ||
| 1259 | V | 32.1 | Very low | 28.9 | Very low | 126.4 Ų | 126.4 | 151.2 Ų | 151.2 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | -121.9 | 87.8 | 111 | -178 | 0 | 0 | 0 | 0 | 111.2 | L1256 D1257 Q1261 F1263 | L1256-V1259 PolarHBondContact O-N 3.46Å; D1257-V1259 VanDerWaalsContact C-N 3.33Å; D1257-V1259 PolarHBondContact O-N 3.16Å; V1259-Q1261 VanDerWaalsContact C-N 3.31Å; V1259-Q1261 PolarHBondContact O-N 2.9Å; V1259-F1263 HydrophobicContact CG1-CD2 4.41Å; V1259-F1263 HydrophobicContact CG1-CE2 4.48Å | |||
| 1260 | H | 29.6 | Very low | 28.9 | Very low | 166.2 Ų | 166.2 | 148.2 Ų | 148.2 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -101 | 102.1 | 167.1 | -127.2 | -78.7 | 0 | 0 | 0 | 110.1 | ||||
| 1261 | Q | 29.5 | Very low | 28.9 | Very low | 162.8 Ų | 162.8 | 145.4 Ų | 145.4 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 150.1 | 128.4 | 165 | -67.6 | 174.4 | -0.7 | 0 | 0 | 113.6 | V1259 | V1259-Q1261 VanDerWaalsContact C-N 3.31Å; V1259-Q1261 PolarHBondContact O-N 2.9Å |
| 1262 | H | 28.6 | Very low | 28.9 | Very low | 166.8 Ų | 166.8 | 150 Ų | 150 | 77% | 0.772 | 77% | 0.766 | S | S | * | * | trans | 82.4 | 93.2 | 154.3 | -78.8 | -79.8 | 0 | 0 | 0 | 118.7 | D1264 | H1262-D1264 PolarHBondContact O-N 3.4Å; H1262-D1264 VanDerWaalsContact O-N 3.09Å | ||
| 1263 | F | 29.1 | Very low | 28.8 | Very low | 183.4 Ų | 183.4 | 153.3 Ų | 153.3 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -165.6 | 134.3 | 147.5 | -86.9 | -70.4 | 0 | 0 | 0 | 114.6 | V1259 P1265 | V1259-F1263 HydrophobicContact CG1-CD2 4.41Å; V1259-F1263 HydrophobicContact CG1-CE2 4.48Å; F1263-P1265 WeakPolarHBondContact O-CD 3.23Å | ||
| 1264 | D | 28 | Very low | 28.8 | Very low | 117 Ų | 117 | 151.9 Ų | 151.9 | 63% | 0.626 | 77% | 0.765 | S | S | * | * | trans | -70.4 | 134.4 | 170.1 | -142 | -48.9 | 0 | 0 | 0 | 112.7 | H1262 N1266 | H1262-D1264 PolarHBondContact O-N 3.4Å; H1262-D1264 VanDerWaalsContact O-N 3.09Å; D1264-N1266 VanDerWaalsContact C-N 3.29Å; D1264-N1266 PolarHBondContact O-N 3.39Å; D1264-N1266 WeakPolarHBondContact OD1-CB 3.34Å; D1264-N1266 PolarHBondContact OD1-N 3.21Å; D1264-N1266 VanDerWaalsContact OD1-N 3.12Å; D1264-N1266 PolarHBondContact OD1-ND2 3.37Å | ||
| 1265 | P | 29.9 | Very low | 28.9 | Very low | 113.8 Ų | 113.8 | 151.1 Ų | 151.1 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | 33.3 | -178.1 | 24.8 | -20.5 | 0 | 0 | 0 | 114.2 | F1263 C1267 | F1263-P1265 WeakPolarHBondContact O-CD 3.23Å; P1265-C1267 VanDerWaalsContact C-N 3.26Å; P1265-C1267 PolarHBondContact O-N 3.05Å; P1265-C1267 VanDerWaalsContact O-N 3.1Å |
| 1266 | N | 30.3 | Very low | 28.9 | Very low | 134.8 Ų | 134.8 | 148.2 Ų | 148.2 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 21.9 | 177.6 | -80.2 | -65.7 | 0 | 0 | 0 | 114.9 | D1264 L1268 R1269 | D1264-N1266 VanDerWaalsContact C-N 3.29Å; D1264-N1266 PolarHBondContact O-N 3.39Å; D1264-N1266 WeakPolarHBondContact OD1-CB 3.34Å; D1264-N1266 PolarHBondContact OD1-N 3.21Å; D1264-N1266 VanDerWaalsContact OD1-N 3.12Å; D1264-N1266 PolarHBondContact OD1-ND2 3.37Å; N1266-L1268 VanDerWaalsContact C-N 3.26Å; N1266-L1268 PolarHBondContact O-N 2.93Å; N1266-R1269 PolarHBondContact O-N 3.37Å |
| 1267 | C | 27.8 | Very low | 28.8 | Very low | 116.2 Ų | 116.2 | 151.1 Ų | 151.1 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | 53 | 176.5 | -138.6 | 0 | 0 | 0 | 0 | 115.1 | P1265 | P1265-C1267 VanDerWaalsContact C-N 3.26Å; P1265-C1267 PolarHBondContact O-N 3.05Å; P1265-C1267 VanDerWaalsContact O-N 3.1Å |
| 1268 | L | 30.3 | Very low | 28.9 | Very low | 161.2 Ų | 161.2 | 150.1 Ų | 150.1 | 84% | 0.844 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 59.3 | 162.2 | -96 | 169.8 | 0 | 0 | 0 | 115.2 | N1266 A1270 | N1266-L1268 VanDerWaalsContact C-N 3.26Å; N1266-L1268 PolarHBondContact O-N 2.93Å; L1268-A1270 PolarHBondContact O-N 3.4Å |
| 1269 | R | 27.1 | Very low | 28.8 | Very low | 213 Ų | 213 | 148.1 Ų | 148.1 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -104.8 | 86.4 | 154 | -162.5 | -178.7 | -165 | 154.5 | 5.6 | 115.4 | N1266 F1273 | N1266-R1269 PolarHBondContact O-N 3.37Å; R1269-F1273 PolarHBondContact NE-O 2.92Å | ||
| 1270 | A | 28.4 | Very low | 28.6 | Very low | 87.8 Ų | 87.8 | 151.4 Ų | 151.4 | 73% | 0.726 | 75% | 0.753 | S | S | * | * | trans | 177.7 | 148.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1268 | L1268-A1270 PolarHBondContact O-N 3.4Š| ||
| 1271 | N | 27.2 | Very low | 28.5 | Very low | 141.4 Ų | 141.4 | 150.5 Ų | 150.5 | 76% | 0.756 | 75% | 0.754 | S | S | * | * | trans | 108.5 | 127.9 | 175.5 | -71 | -45.7 | 0 | 0 | 0 | 113.5 | ||||
| 1272 | Y | 27.5 | Very low | 28.5 | Very low | 202.6 Ų | 202.6 | 151.5 Ų | 151.5 | 80% | 0.795 | 76% | 0.756 | S | S | * | * | 104.5 | 129.2 | 123.6 | -71.1 | -74.4 | 0 | 0 | 0 | 113.1 | Q1322 | Y1272-Q1322 VanDerWaalsContact CE2-NE2 3.35Å; Y1272-Q1322 VanDerWaalsContact CZ-NE2 3.27Å; Y1272-Q1322 PolarHBondContact OH-NE2 2.66Å; Y1272-Q1322 PolarHBondContact OH-OE1 3.45Å | |||
| 1273 | F | 27.4 | Very low | 28.5 | Very low | 169.8 Ų | 169.8 | 147.8 Ų | 147.8 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | trans | 174.4 | 130.9 | -164.7 | -108.8 | -101.9 | 0 | 0 | 0 | 112.6 | R1269 | R1269-F1273 PolarHBondContact NE-O 2.92Š| ||
| 1274 | L | 28.9 | Very low | 28.6 | Very low | 142.2 Ų | 142.2 | 144.9 Ų | 144.9 | 75% | 0.745 | 75% | 0.746 | S | S | * | * | trans | 119.2 | 135.9 | 136.1 | -111.4 | 145.4 | 0 | 0 | 0 | 113.1 | ||||
| 1275 | Q | 28.9 | Very low | 28.7 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | trans | -148.2 | 156 | 142.2 | -130.7 | 164.5 | -8.2 | 0 | 0 | 112.4 | N1121 D1123 | N1121-Q1275 VanDerWaalsContact C-NE2 3.35Å; N1121-Q1275 PolarHBondContact ND2-OE1 3.29Å; N1121-Q1275 PolarHBondContact O-NE2 3.21Å; N1121-Q1275 PolarHBondContact O-OE1 2.99Å; N1121-Q1275 PolarHBondContact OD1-OE1 3.34Å; D1123-Q1275 VanDerWaalsContact OD1-CB 3.31Å; D1123-Q1275 WeakPolarHBondContact OD1-CB 3.21Å; D1123-Q1275 WeakPolarHBondContact OD2-CG 3.4Å | ||
| 1276 | S | 29.5 | Very low | 28.6 | Very low | 94.2 Ų | 94.2 | 145.3 Ų | 145.3 | 66% | 0.659 | 75% | 0.749 | S | S | * | * | trans | 101.4 | 119.7 | 152.7 | -82 | 0 | 0 | 0 | 0 | 115.6 | D1123 | D1123-S1276 WeakPolarHBondContact OD1-CB 3.32Å; D1123-S1276 PolarHBondContact OD1-N 3.37Å; D1123-S1276 VanDerWaalsContact OD1-N 3.17Å; D1123-S1276 WeakPolarHBondContact OD2-CA 3.35Å; D1123-S1276 WeakPolarHBondContact OD2-CB 3.28Å; D1123-S1276 PolarHBondContact OD2-N 2.93Å; D1123-S1276 PolarHBondContact OD2-OG 2.9Å | ||
| 1277 | R | 27.1 | Very low | 28.8 | Very low | 220.2 Ų | 220.2 | 144.8 Ų | 144.8 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | 80.3 | 121.8 | 106.6 | -93.7 | -170 | 169.8 | -165.6 | -1.4 | 114.7 | |||||
| 1278 | T | 30.5 | Very low | 28.9 | Very low | 113.6 Ų | 113.6 | 145.2 Ų | 145.2 | 70% | 0.697 | 75% | 0.746 | S | S | * | * | cis | -172.9 | 140.9 | 40.4 | 25.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1279 | N | 27.3 | Very low | 28.8 | Very low | 131.6 Ų | 131.6 | 145.1 Ų | 145.1 | 70% | 0.704 | 74% | 0.741 | S | S | * | * | trans | 20.6 | 147.5 | 140.4 | -63.5 | 0.1 | 0 | 0 | 0 | 117 | ||||
| 1280 | F | 28.5 | Very low | 29.1 | Very low | 195.8 Ų | 195.8 | 141.3 Ų | 141.3 | 86% | 0.859 | 74% | 0.741 | S | S | * | * | trans | 165.3 | 132.6 | 138.1 | -98 | -82.3 | 0 | 0 | 0 | 114.6 | ||||
| 1281 | N | 27 | Very low | 29 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | trans | -87.9 | 145.9 | 157.5 | -66.6 | -14.1 | 0 | 0 | 0 | 115.4 | ||||
| 1282 | K | 29.4 | Very low | 29.1 | Very low | 183.2 Ų | 183.2 | 146.8 Ų | 146.8 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | 142.4 | 123.7 | 141 | -146.2 | 175.6 | -178.6 | -177.1 | 0 | 113.1 | N1600 | K1282-N1600 PolarHBondContact O-ND2 3.11Š| ||
| 1283 | S | 28.2 | Very low | 29.1 | Very low | 89.8 Ų | 89.8 | 141.9 Ų | 141.9 | 63% | 0.628 | 75% | 0.748 | S | S | * | * | 54.8 | 140.9 | 117.9 | 69.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1284 | T | 30.9 | Very low | 29.4 | Very low | 122.6 Ų | 122.6 | 142.2 Ų | 142.2 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | cis | -175.5 | 154.5 | 38.8 | 28.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1285 | S | 29.6 | Very low | 29.4 | Very low | 94.6 Ų | 94.6 | 144 Ų | 144 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | 116.5 | 155.6 | 61.4 | 58.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1286 | D | 29.4 | Very low | 29.3 | Very low | 143.8 Ų | 143.8 | 143 Ų | 143 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | 84.8 | 128.8 | 155.6 | -51.9 | -31 | 0 | 0 | 0 | 117.2 | ||||
| 1287 | V | 33.6 | Very low | 29.3 | Very low | 124.6 Ų | 124.6 | 146.8 Ų | 146.8 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | 105.3 | 124.8 | 77.6 | 160.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1288 | D | 30.3 | Very low | 29.3 | Very low | 124.8 Ų | 124.8 | 141.3 Ų | 141.3 | 67% | 0.667 | 76% | 0.763 | S | S | * | * | cis | -174.6 | 150.5 | 43.1 | -92.7 | -26.9 | 0 | 0 | 0 | 115.3 | ||||
| 1289 | Q | 28.9 | Very low | 29.2 | Very low | 159 Ų | 159 | 145.5 Ų | 145.5 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | cis | 108.3 | 142.4 | 44.5 | -142.4 | 174.3 | 90.9 | 0 | 0 | 116.1 | ||||
| 1290 | T | 32.2 | Very low | 29.3 | Very low | 133.2 Ų | 133.2 | 147.7 Ų | 147.7 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | trans | 115.2 | 139.3 | 169.3 | 55.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1291 | D | 27.3 | Very low | 29.4 | Very low | 155.4 Ų | 155.4 | 141.4 Ų | 141.4 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | trans | -169.1 | 126.4 | 173.7 | -99.5 | -18.8 | 0 | 0 | 0 | 116 | ||||
| 1292 | E | 29.7 | Very low | 29.6 | Very low | 189.6 Ų | 189.6 | 139.5 Ų | 139.5 | 89% | 0.886 | 76% | 0.762 | S | S | * | * | trans | -163.4 | 148.7 | 133.3 | -114.3 | -171.4 | 179.1 | 0 | 0 | 113.5 | ||||
| 1293 | S | 27.6 | Very low | 29.6 | Very low | 100.4 Ų | 100.4 | 134.7 Ų | 134.7 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | trans | -132.5 | 136.5 | -179.7 | 62.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1294 | H | 32.9 | Very low | 29.7 | Very low | 174.6 Ų | 174.6 | 137.3 Ų | 137.3 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | trans | -150.2 | 144.9 | 154.5 | -85.9 | -67.5 | 0 | 0 | 0 | 115.8 | ||||
| 1295 | K | 29.1 | Very low | 29.7 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | trans | -40.4 | 126.8 | 173.2 | -65.6 | 172 | 179.1 | 169.1 | 0 | 115.6 | ||||
| 1296 | C | 25.7 | Very low | 29.8 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | trans | -157.4 | 121.9 | 138.6 | -64.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1297 | H | 29.1 | Very low | 29.8 | Very low | 174.4 Ų | 174.4 | 135.1 Ų | 135.1 | 81% | 0.807 | 74% | 0.735 | S | S | * | * | trans | -107.5 | 141.3 | 168.3 | -96.8 | -91.7 | 0 | 0 | 0 | 111.3 | ||||
| 1298 | S | 27.6 | Very low | 29.8 | Very low | 104.2 Ų | 104.2 | 133.5 Ų | 133.5 | 73% | 0.729 | 73% | 0.726 | S | S | * | * | trans | 12.7 | 106.7 | 157.2 | 170.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1299 | F | 28.2 | Very low | 30 | Very low | 201.8 Ų | 201.8 | 130.1 Ų | 130.1 | 89% | 0.885 | 72% | 0.715 | S | S | * | * | trans | -124 | 113.1 | 153.3 | -119 | -91.1 | 0 | 0 | 0 | 110.9 | ||||
| 1300 | H | 29.5 | Very low | 30.3 | Very low | 178.2 Ų | 178.2 | 124.9 Ų | 124.9 | 83% | 0.825 | 70% | 0.699 | S | S | * | * | trans | -140.9 | 104.4 | 177.5 | -155.8 | -94.9 | 0 | 0 | 0 | 113.4 | T1302 | H1300-T1302 PolarHBondContact O-N 3.19Š| ||
| 1301 | G | 31.2 | Very low | 30.6 | Very low | 64.2 Ų | 64.2 | 127.1 Ų | 127.1 | 66% | 0.662 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 146.2 | -3.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 1302 | T | 31.6 | Very low | 31.1 | Very low | 105.2 Ų | 105.2 | 126.9 Ų | 126.9 | 65% | 0.645 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -77 | -8.6 | 178 | 48.9 | 0 | 0 | 0 | 0 | 114.8 | H1300 L1304 S1305 E1306 | H1300-T1302 PolarHBondContact O-N 3.19Å; T1302-L1304 VanDerWaalsContact C-N 3.29Å; T1302-L1304 PolarHBondContact O-N 3.09Å; T1302-L1304 VanDerWaalsContact O-N 3.09Å; T1302-S1305 WeakPolarHBondContact O-CB 3.46Å; T1302-S1305 PolarHBondContact O-N 3.09Å; T1302-S1305 VanDerWaalsContact O-N 3.12Å; T1302-S1305 PolarHBondContact O-OG 3.1Å; T1302-E1306 PolarHBondContact O-N 3.45Å |
| 1303 | C | 28.4 | Very low | 31.7 | Very low | 84 Ų | 84 | 120.6 Ų | 120.6 | 57% | 0.568 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -92.9 | -4.1 | 177 | -164.8 | 0 | 0 | 0 | 0 | 112 | S1305 E1306 L1307 | C1303-S1305 VanDerWaalsContact C-N 3.25Å; C1303-S1305 PolarHBondContact O-N 3.22Å; C1303-S1305 PolarHBondContact SG-OG 3.19Å; C1303-S1305 VanDerWaalsContact SG-OG 3.41Å; C1303-E1306 WeakPolarHBondContact CA-OE2 3.43Å; C1303-E1306 PolarHBondContact O-N 3.25Å; C1303-L1307 WeakPolarHBondContact O-CB 3.27Å; C1303-L1307 VanDerWaalsContact O-CD1 3.24Å; C1303-L1307 WeakPolarHBondContact O-CD1 3.45Å; C1303-L1307 PolarHBondContact O-N 3.14Å; C1303-L1307 VanDerWaalsContact SG-CD1 3.55Å |
| 1304 | L | 31.2 | Very low | 32.1 | Very low | 143 Ų | 143 | 119.1 Ų | 119.1 | 75% | 0.749 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -85.2 | -13 | 179.2 | -91.5 | 168.6 | 0 | 0 | 0 | 113 | T1302 T1308 | T1302-L1304 VanDerWaalsContact C-N 3.29Å; T1302-L1304 PolarHBondContact O-N 3.09Å; T1302-L1304 VanDerWaalsContact O-N 3.09Å; L1304-T1308 WeakPolarHBondContact O-CB 3.44Å; L1304-T1308 PolarHBondContact O-N 2.91Å; L1304-T1308 VanDerWaalsContact O-N 3.13Å; L1304-T1308 PolarHBondContact O-OG1 3.04Å |
| 1305 | S | 30.1 | Very low | 32.4 | Very low | 89.8 Ų | 89.8 | 115.5 Ų | 115.5 | 63% | 0.628 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63.1 | -25 | 175.8 | 21 | 0 | 0 | 0 | 0 | 113.1 | T1302 C1303 T1308 A1309 | T1302-S1305 WeakPolarHBondContact O-CB 3.46Å; T1302-S1305 PolarHBondContact O-N 3.09Å; T1302-S1305 VanDerWaalsContact O-N 3.12Å; T1302-S1305 PolarHBondContact O-OG 3.1Å; C1303-S1305 VanDerWaalsContact C-N 3.25Å; C1303-S1305 PolarHBondContact O-N 3.22Å; C1303-S1305 PolarHBondContact SG-OG 3.19Å; C1303-S1305 VanDerWaalsContact SG-OG 3.41Å; S1305-T1308 WeakPolarHBondContact O-CB 3.49Å; S1305-T1308 PolarHBondContact O-N 3.23Å; S1305-T1308 VanDerWaalsContact O-N 3.12Å; S1305-A1309 PolarHBondContact O-N 3.01Å |
| 1306 | E | 31.4 | Very low | 33 | Very low | 132.4 Ų | 132.4 | 109.1 Ų | 109.1 | 62% | 0.619 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -90.3 | -46.5 | 176.5 | -75.7 | 173.8 | 152.9 | 0 | 0 | 112.4 | T1302 C1303 T1308 A1309 A1310 | T1302-E1306 PolarHBondContact O-N 3.45Å; C1303-E1306 WeakPolarHBondContact CA-OE2 3.43Å; C1303-E1306 PolarHBondContact O-N 3.25Å; E1306-T1308 VanDerWaalsContact C-N 3.27Å; E1306-T1308 PolarHBondContact O-N 3.11Å; E1306-A1309 WeakPolarHBondContact O-CB 3.24Å; E1306-A1309 PolarHBondContact O-N 2.98Å; E1306-A1309 VanDerWaalsContact O-N 3.11Å; E1306-A1310 VanDerWaalsContact O-CB 3.3Å; E1306-A1310 WeakPolarHBondContact O-CB 3.36Å; E1306-A1310 PolarHBondContact O-N 3.29Å |
| 1307 | L | 30.8 | Very low | 33.7 | Very low | 93 Ų | 93 | 107.4 Ų | 107.4 | 49% | 0.487 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -48.3 | -18.1 | 175.8 | -91.1 | 86.7 | 0 | 0 | 0 | 114.2 | C1303 R1311 | C1303-L1307 WeakPolarHBondContact O-CB 3.27Å; C1303-L1307 VanDerWaalsContact O-CD1 3.24Å; C1303-L1307 WeakPolarHBondContact O-CD1 3.45Å; C1303-L1307 PolarHBondContact O-N 3.14Å; C1303-L1307 VanDerWaalsContact SG-CD1 3.55Å; L1307-R1311 HydrophobicContact CD2-CG 4.38Å; L1307-R1311 VanDerWaalsContact O-CB 3.3Å; L1307-R1311 WeakPolarHBondContact O-CB 3.46Å; L1307-R1311 VanDerWaalsContact O-CG 3.28Å; L1307-R1311 WeakPolarHBondContact O-CG 3.36Å; L1307-R1311 PolarHBondContact O-N 2.93Å |
| 1308 | T | 33.7 | Very low | 34 | Very low | 91.2 Ų | 91.2 | 102.6 Ų | 102.6 | 56% | 0.56 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -83.7 | -38.4 | 169.1 | -53.4 | 0 | 0 | 0 | 0 | 111.1 | L1215 L1304 S1305 E1306 A1310 R1312 | L1215-T1308 HydrophobicContact CD2-CG2 4.31Å; L1304-T1308 WeakPolarHBondContact O-CB 3.44Å; L1304-T1308 PolarHBondContact O-N 2.91Å; L1304-T1308 VanDerWaalsContact O-N 3.13Å; L1304-T1308 PolarHBondContact O-OG1 3.04Å; S1305-T1308 WeakPolarHBondContact O-CB 3.49Å; S1305-T1308 PolarHBondContact O-N 3.23Å; S1305-T1308 VanDerWaalsContact O-N 3.12Å; E1306-T1308 VanDerWaalsContact C-N 3.27Å; E1306-T1308 PolarHBondContact O-N 3.11Å; T1308-A1310 PolarHBondContact O-N 2.89Å; T1308-R1312 WeakPolarHBondContact O-CB 3.38Å; T1308-R1312 WeakPolarHBondContact O-CD 3.4Å; T1308-R1312 WeakPolarHBondContact O-CG 3.31Å; T1308-R1312 PolarHBondContact O-N 3.39Å; T1308-R1312 VanDerWaalsContact O-N 3.11Å |
| 1309 | A | 34.5 | Very low | 34.5 | Very low | 52.6 Ų | 52.6 | 100.7 Ų | 100.7 | 44% | 0.435 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -54.9 | -47.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1305 E1306 R1311 R1312 L1313 | S1305-A1309 PolarHBondContact O-N 3.01Å; E1306-A1309 WeakPolarHBondContact O-CB 3.24Å; E1306-A1309 PolarHBondContact O-N 2.98Å; E1306-A1309 VanDerWaalsContact O-N 3.11Å; A1309-R1311 VanDerWaalsContact C-N 3.3Å; A1309-R1311 PolarHBondContact O-N 3.1Å; A1309-R1311 VanDerWaalsContact O-N 3.15Å; A1309-R1312 CarbonylContact O-C 3.58Å; A1309-R1312 WeakPolarHBondContact O-CA 3.35Å; A1309-R1312 WeakPolarHBondContact O-CB 3.31Å; A1309-R1312 PolarHBondContact O-N 3.18Å; A1309-R1312 VanDerWaalsContact O-N 3.1Å; A1309-L1313 WeakPolarHBondContact O-CD1 3.43Å; A1309-L1313 WeakPolarHBondContact O-CG 3.44Å; A1309-L1313 PolarHBondContact O-N 3.24Å; A1309-L1313 VanDerWaalsContact O-N 3.12Å |
| 1310 | A | 35.2 | Very low | 35.3 | Very low | 49.8 Ų | 49.8 | 93.4 Ų | 93.4 | 41% | 0.412 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56.6 | -37.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | E1306 T1308 R1312 L1313 S1314 | E1306-A1310 VanDerWaalsContact O-CB 3.3Å; E1306-A1310 WeakPolarHBondContact O-CB 3.36Å; E1306-A1310 PolarHBondContact O-N 3.29Å; T1308-A1310 PolarHBondContact O-N 2.89Å; A1310-R1312 VanDerWaalsContact C-N 3.26Å; A1310-R1312 PolarHBondContact O-N 2.95Å; A1310-R1312 VanDerWaalsContact O-N 3.14Å; A1310-L1313 WeakPolarHBondContact O-CB 3.43Å; A1310-L1313 PolarHBondContact O-N 2.93Å; A1310-S1314 VanDerWaalsContact O-CB 3.26Å; A1310-S1314 WeakPolarHBondContact O-CB 3.42Å; A1310-S1314 PolarHBondContact O-N 2.99Å; A1310-S1314 VanDerWaalsContact O-N 3.12Å |
| 1311 | R | 37.1 | Very low | 35.9 | Very low | 180.2 Ų | 180.2 | 90.2 Ų | 90.2 | 68% | 0.68 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.1 | -31.4 | 177.3 | -77.4 | -178.4 | 174 | 178.1 | -0.6 | 113.7 | L1307 A1309 S1314 L1315 | L1307-R1311 HydrophobicContact CD2-CG 4.38Å; L1307-R1311 VanDerWaalsContact O-CB 3.3Å; L1307-R1311 WeakPolarHBondContact O-CB 3.46Å; L1307-R1311 VanDerWaalsContact O-CG 3.28Å; L1307-R1311 WeakPolarHBondContact O-CG 3.36Å; L1307-R1311 PolarHBondContact O-N 2.93Å; A1309-R1311 VanDerWaalsContact C-N 3.3Å; A1309-R1311 PolarHBondContact O-N 3.1Å; A1309-R1311 VanDerWaalsContact O-N 3.15Å; R1311-S1314 PolarHBondContact O-N 3.02Å; R1311-L1315 WeakPolarHBondContact O-CB 3.34Å; R1311-L1315 VanDerWaalsContact O-CD1 3.28Å; R1311-L1315 WeakPolarHBondContact O-CD1 3.35Å; R1311-L1315 VanDerWaalsContact O-CG 3.27Å; R1311-L1315 WeakPolarHBondContact O-CG 3.32Å; R1311-L1315 PolarHBondContact O-N 3.29Å; R1311-L1315 VanDerWaalsContact O-N 3.14Å |
| 1312 | R | 37.9 | Very low | 36.2 | Very low | 151.6 Ų | 151.6 | 94.4 Ų | 94.4 | 57% | 0.572 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.3 | -40 | 171.8 | -76.2 | 179.4 | 174.2 | -168.1 | -1.3 | 111.9 | H1033 T1308 A1309 A1310 S1314 L1315 V1316 | H1033-R1312 PolarHBondContact NE2-NH2 3.38Å; T1308-R1312 WeakPolarHBondContact O-CB 3.38Å; T1308-R1312 WeakPolarHBondContact O-CD 3.4Å; T1308-R1312 WeakPolarHBondContact O-CG 3.31Å; T1308-R1312 PolarHBondContact O-N 3.39Å; T1308-R1312 VanDerWaalsContact O-N 3.11Å; A1309-R1312 CarbonylContact O-C 3.58Å; A1309-R1312 WeakPolarHBondContact O-CA 3.35Å; A1309-R1312 WeakPolarHBondContact O-CB 3.31Å; A1309-R1312 PolarHBondContact O-N 3.18Å; A1309-R1312 VanDerWaalsContact O-N 3.1Å; A1310-R1312 VanDerWaalsContact C-N 3.26Å; A1310-R1312 PolarHBondContact O-N 2.95Å; A1310-R1312 VanDerWaalsContact O-N 3.14Å; R1312-S1314 VanDerWaalsContact C-N 3.33Å; R1312-S1314 PolarHBondContact O-N 3Å; R1312-L1315 PolarHBondContact O-N 3.13Å; R1312-V1316 WeakPolarHBondContact O-CB 3.29Å; R1312-V1316 WeakPolarHBondContact O-CG2 3.39Å; R1312-V1316 PolarHBondContact O-N 2.73Å; R1312-V1316 VanDerWaalsContact O-N 3.1Å |
| 1313 | L | 41.9 | Very low | 36.5 | Very low | 56.6 Ų | 56.6 | 95.6 Ų | 95.6 | 30% | 0.296 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 176.2 | -81.8 | 106.1 | 0 | 0 | 0 | 111.5 | A1309 A1310 L1315 V1316 Q1317 L1428 | A1309-L1313 WeakPolarHBondContact O-CD1 3.43Å; A1309-L1313 WeakPolarHBondContact O-CG 3.44Å; A1309-L1313 PolarHBondContact O-N 3.24Å; A1309-L1313 VanDerWaalsContact O-N 3.12Å; A1310-L1313 WeakPolarHBondContact O-CB 3.43Å; A1310-L1313 PolarHBondContact O-N 2.93Å; L1313-L1315 VanDerWaalsContact C-N 3.3Å; L1313-L1315 PolarHBondContact O-N 3.09Å; L1313-V1316 PolarHBondContact O-N 3.26Å; L1313-V1316 VanDerWaalsContact O-N 3.14Å; L1313-Q1317 VanDerWaalsContact O-CB 3.27Å; L1313-Q1317 WeakPolarHBondContact O-CB 3.35Å; L1313-Q1317 PolarHBondContact O-N 3.23Å; L1313-L1428 HydrophobicContact CB-CD1 4.45Å; L1313-L1428 HydrophobicContact CB-CD2 4.09Å; L1313-L1428 HydrophobicContact CD1-CD2 4.05Å; L1313-L1428 HydrophobicContact CD2-CD1 4.01Å; L1313-L1428 HydrophobicContact CD2-CD2 3.92Å; L1313-L1428 HydrophobicContact CD2-CG 4.04Å; L1313-L1428 HydrophobicContact CG-CD1 3.98Å; L1313-L1428 HydrophobicContact CG-CD2 3.95Å; L1313-L1428 HydrophobicContact CG-CG 3.99Å |
| 1314 | S | 37.4 | Very low | 37.2 | Very low | 69.6 Ų | 69.6 | 94.1 Ų | 94.1 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58 | -43 | -179.6 | -179.5 | 0 | 0 | 0 | 0 | 113.5 | A1310 R1311 R1312 V1316 Q1317 S1318 | A1310-S1314 VanDerWaalsContact O-CB 3.26Å; A1310-S1314 WeakPolarHBondContact O-CB 3.42Å; A1310-S1314 PolarHBondContact O-N 2.99Å; A1310-S1314 VanDerWaalsContact O-N 3.12Å; R1311-S1314 PolarHBondContact O-N 3.02Å; R1312-S1314 VanDerWaalsContact C-N 3.33Å; R1312-S1314 PolarHBondContact O-N 3Å; S1314-V1316 PolarHBondContact O-N 3.1Å; S1314-Q1317 PolarHBondContact O-N 3.11Å; S1314-S1318 VanDerWaalsContact O-CB 3.3Å; S1314-S1318 WeakPolarHBondContact O-CB 3.26Å; S1314-S1318 PolarHBondContact O-N 3.34Å; S1314-S1318 PolarHBondContact O-OG 3.11Å; S1314-S1318 VanDerWaalsContact O-OG 3.09Å |
| 1315 | L | 38.1 | Very low | 37.9 | Very low | 98.4 Ų | 98.4 | 94.9 Ų | 94.9 | 52% | 0.515 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.4 | -42 | 179.1 | -81 | 131.6 | 0 | 0 | 0 | 112.3 | I1212 P1213 L1215 R1311 R1312 L1313 Q1317 S1318 S1319 | I1212-L1315 HydrophobicContact CG2-CD1 4.42Å; P1213-L1315 HydrophobicContact CB-CD2 4.4Å; P1213-L1315 HydrophobicContact CG-CD2 4.08Å; L1215-L1315 HydrophobicContact CD1-CD1 3.83Å; R1311-L1315 WeakPolarHBondContact O-CB 3.34Å; R1311-L1315 VanDerWaalsContact O-CD1 3.28Å; R1311-L1315 WeakPolarHBondContact O-CD1 3.35Å; R1311-L1315 VanDerWaalsContact O-CG 3.27Å; R1311-L1315 WeakPolarHBondContact O-CG 3.32Å; R1311-L1315 PolarHBondContact O-N 3.29Å; R1311-L1315 VanDerWaalsContact O-N 3.14Å; R1312-L1315 PolarHBondContact O-N 3.13Å; L1313-L1315 VanDerWaalsContact C-N 3.3Å; L1313-L1315 PolarHBondContact O-N 3.09Å; L1315-Q1317 VanDerWaalsContact C-N 3.32Å; L1315-Q1317 PolarHBondContact O-N 3.25Å; L1315-S1318 PolarHBondContact O-N 3.34Å; L1315-S1318 PolarHBondContact O-OG 3.4Å; L1315-S1319 PolarHBondContact O-N 3.19Å |
| 1316 | V | 42 | Very low | 38.9 | Very low | 46.2 Ų | 46.2 | 98.8 Ų | 98.8 | 28% | 0.28 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 176 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | R1312 L1313 S1314 S1318 S1319 L1320 P1369 L1428 | R1312-V1316 WeakPolarHBondContact O-CB 3.29Å; R1312-V1316 WeakPolarHBondContact O-CG2 3.39Å; R1312-V1316 PolarHBondContact O-N 2.73Å; R1312-V1316 VanDerWaalsContact O-N 3.1Å; L1313-V1316 PolarHBondContact O-N 3.26Å; L1313-V1316 VanDerWaalsContact O-N 3.14Å; S1314-V1316 PolarHBondContact O-N 3.1Å; V1316-S1318 VanDerWaalsContact C-N 3.3Å; V1316-S1318 PolarHBondContact O-N 3.2Å; V1316-S1319 PolarHBondContact O-N 3.03Å; V1316-S1319 VanDerWaalsContact O-N 3.13Å; V1316-S1319 PolarHBondContact O-OG 3.08Å; V1316-L1320 HydrophobicContact CG1-CD1 3.88Å; V1316-L1320 HydrophobicContact CG1-CG 4.21Å; V1316-L1320 VanDerWaalsContact O-CB 3.31Å; V1316-L1320 WeakPolarHBondContact O-CB 3.24Å; V1316-L1320 VanDerWaalsContact O-CG 3.23Å; V1316-L1320 WeakPolarHBondContact O-CG 3.37Å; V1316-L1320 PolarHBondContact O-N 3.18Å; V1316-L1320 VanDerWaalsContact O-N 3.17Å; V1316-P1369 HydrophobicContact CG1-CB 4.22Å; V1316-P1369 HydrophobicContact CG1-CG 4.34Å; V1316-L1428 HydrophobicContact CG1-CD1 4.32Å |
| 1317 | Q | 41 | Very low | 41 | Very low | 90 Ų | 90 | 93.5 Ų | 93.5 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.4 | -26.2 | -177.1 | -159.6 | 166.4 | 36.6 | 0 | 0 | 113.2 | L1313 S1314 L1315 L1320 N1321 L1428 | L1313-Q1317 VanDerWaalsContact O-CB 3.27Å; L1313-Q1317 WeakPolarHBondContact O-CB 3.35Å; L1313-Q1317 PolarHBondContact O-N 3.23Å; S1314-Q1317 PolarHBondContact O-N 3.11Å; L1315-Q1317 VanDerWaalsContact C-N 3.32Å; L1315-Q1317 PolarHBondContact O-N 3.25Å; Q1317-L1320 PolarHBondContact O-N 2.83Å; Q1317-N1321 PolarHBondContact O-ND2 3.34Å; Q1317-L1428 HydrophobicContact CB-CD2 4.3Å; Q1317-L1428 HydrophobicContact CG-CD2 4.47Å; Q1317-L1428 PolarHBondContact NE2-O 3.15Å; Q1317-L1428 VanDerWaalsContact NE2-O 3.1Å |
| 1318 | S | 35.9 | Very low | 43.6 | Very low | 72.4 Ų | 72.4 | 91 Ų | 91 | 51% | 0.506 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71 | -45.2 | 170.1 | -22 | 0 | 0 | 0 | 0 | 112 | S1314 L1315 V1316 L1320 N1321 | S1314-S1318 VanDerWaalsContact O-CB 3.3Å; S1314-S1318 WeakPolarHBondContact O-CB 3.26Å; S1314-S1318 PolarHBondContact O-N 3.34Å; S1314-S1318 PolarHBondContact O-OG 3.11Å; S1314-S1318 VanDerWaalsContact O-OG 3.09Å; L1315-S1318 PolarHBondContact O-N 3.34Å; L1315-S1318 PolarHBondContact O-OG 3.4Å; V1316-S1318 VanDerWaalsContact C-N 3.3Å; V1316-S1318 PolarHBondContact O-N 3.2Å; S1318-L1320 VanDerWaalsContact C-N 3.35Å; S1318-L1320 PolarHBondContact O-N 3.36Å; S1318-N1321 PolarHBondContact O-N 3.05Å; S1318-N1321 VanDerWaalsContact O-N 3.17Å |
| 1319 | S | 37.2 | Very low | 46.3 | Very low | 64.6 Ų | 64.6 | 86.6 Ų | 86.6 | 45% | 0.452 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69.8 | -27.2 | -179.4 | 141.3 | 0 | 0 | 0 | 0 | 113.7 | L1315 V1316 N1321 | L1315-S1319 PolarHBondContact O-N 3.19Å; V1316-S1319 PolarHBondContact O-N 3.03Å; V1316-S1319 VanDerWaalsContact O-N 3.13Å; V1316-S1319 PolarHBondContact O-OG 3.08Å; S1319-N1321 VanDerWaalsContact C-N 3.25Å; S1319-N1321 PolarHBondContact O-N 3.22Å; S1319-N1321 VanDerWaalsContact O-N 3.16Å |
| 1320 | L | 45.9 | Very low | 48.9 | Very low | 49.2 Ų | 49.2 | 84.5 Ų | 84.5 | 26% | 0.258 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -16.6 | 178.9 | -79.6 | 168.4 | 0 | 0 | 0 | 114.6 | V1316 Q1317 S1318 N1324 P1369 I1370 N1373 | V1316-L1320 HydrophobicContact CG1-CD1 3.88Å; V1316-L1320 HydrophobicContact CG1-CG 4.21Å; V1316-L1320 VanDerWaalsContact O-CB 3.31Å; V1316-L1320 WeakPolarHBondContact O-CB 3.24Å; V1316-L1320 VanDerWaalsContact O-CG 3.23Å; V1316-L1320 WeakPolarHBondContact O-CG 3.37Å; V1316-L1320 PolarHBondContact O-N 3.18Å; V1316-L1320 VanDerWaalsContact O-N 3.17Å; Q1317-L1320 PolarHBondContact O-N 2.83Å; S1318-L1320 VanDerWaalsContact C-N 3.35Å; S1318-L1320 PolarHBondContact O-N 3.36Å; L1320-N1324 WeakPolarHBondContact CD2-ND2 3.33Å; L1320-N1324 WeakPolarHBondContact O-CB 3.29Å; L1320-N1324 PolarHBondContact O-ND2 3.08Å; L1320-P1369 HydrophobicContact CD1-CB 4.12Å; L1320-I1370 HydrophobicContact CD2-CD1 4Å; L1320-I1370 HydrophobicContact CD2-CG1 3.92Å; L1320-N1373 HydrophobicContact CD2-CB 4.36Å |
| 1321 | N | 40.7 | Very low | 51.5 | Low | 110.8 Ų | 110.8 | 86.6 Ų | 86.6 | 59% | 0.593 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | -10 | -168.2 | -80.6 | -39.7 | 0 | 0 | 0 | 115.7 | Q1317 S1318 S1319 N1373 | Q1317-N1321 PolarHBondContact O-ND2 3.34Å; S1318-N1321 PolarHBondContact O-N 3.05Å; S1318-N1321 VanDerWaalsContact O-N 3.17Å; S1319-N1321 VanDerWaalsContact C-N 3.25Å; S1319-N1321 PolarHBondContact O-N 3.22Å; S1319-N1321 VanDerWaalsContact O-N 3.16Å; N1321-N1373 PolarHBondContact OD1-ND2 3.21Å |
| 1322 | Q | 38.7 | Very low | 54.2 | Low | 152.8 Ų | 152.8 | 78 Ų | 78 | 71% | 0.714 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.8 | -43.3 | -179.9 | -66.4 | -171.8 | -14.3 | 0 | 0 | 113.5 | Y1272 N1324 | Y1272-Q1322 VanDerWaalsContact CE2-NE2 3.35Å; Y1272-Q1322 VanDerWaalsContact CZ-NE2 3.27Å; Y1272-Q1322 PolarHBondContact OH-NE2 2.66Å; Y1272-Q1322 PolarHBondContact OH-OE1 3.45Å; Q1322-N1324 VanDerWaalsContact C-N 3.34Å; Q1322-N1324 PolarHBondContact O-N 3.1Å |
| 1323 | D | 36.7 | Very low | 56.8 | Low | 130 Ų | 130 | 70.8 Ų | 70.8 | 70% | 0.695 | 38% | 0.376 | S | S | * | . | trans | -78.3 | 10.1 | -176.4 | -69.1 | -57.8 | 0 | 0 | 0 | 114.6 | Q1325 F1326 | D1323-Q1325 VanDerWaalsContact C-N 3.3Å; D1323-Q1325 PolarHBondContact O-N 3.29Å; D1323-F1326 PolarHBondContact O-N 2.95Å | ||
| 1324 | N | 43.4 | Very low | 59.2 | Low | 52.8 Ų | 52.8 | 68.9 Ų | 68.9 | 28% | 0.282 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 8.6 | -156.9 | -139.8 | -5.5 | 0 | 0 | 0 | 115.6 | L1320 Q1322 F1326 S1327 A1330 | L1320-N1324 WeakPolarHBondContact CD2-ND2 3.33Å; L1320-N1324 WeakPolarHBondContact O-CB 3.29Å; L1320-N1324 PolarHBondContact O-ND2 3.08Å; Q1322-N1324 VanDerWaalsContact C-N 3.34Å; Q1322-N1324 PolarHBondContact O-N 3.1Å; N1324-F1326 PolarHBondContact O-N 3.14Å; N1324-S1327 WeakPolarHBondContact O-CB 3.34Å; N1324-S1327 PolarHBondContact O-N 3.25Å; N1324-S1327 VanDerWaalsContact OD1-CB 3.3Å; N1324-S1327 WeakPolarHBondContact OD1-CB 3.42Å; N1324-A1330 WeakPolarHBondContact O-CB 3.38Å |
| 1325 | Q | 45.6 | Very low | 61.8 | Low | 159.2 Ų | 159.2 | 67.5 Ų | 67.5 | 74% | 0.744 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -22.2 | 176.9 | -65.5 | -169.5 | 9.9 | 0 | 0 | 113.4 | D1323 Q1331 | D1323-Q1325 VanDerWaalsContact C-N 3.3Å; D1323-Q1325 PolarHBondContact O-N 3.29Å; Q1325-Q1331 PolarHBondContact O-NE2 2.97Å; Q1325-Q1331 VanDerWaalsContact O-NE2 3.11Å |
| 1326 | F | 52.6 | Low | 64.4 | Low | 170.8 Ų | 170.8 | 62.8 Ų | 62.8 | 75% | 0.749 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -106.8 | 6.9 | -172.7 | -66.8 | -77.6 | 0 | 0 | 0 | 115.1 | D1323 N1324 P1328 | D1323-F1326 PolarHBondContact O-N 2.95Å; N1324-F1326 PolarHBondContact O-N 3.14Å; F1326-P1328 WeakPolarHBondContact O-CD 3.35Å |
| 1327 | S | 75.4 | Confident | 66.9 | Low | 21.8 Ų | 21.8 | 60.7 Ų | 60.7 | 15% | 0.152 | 32% | 0.32 | C | S | . | . | trans | -77.3 | 125.7 | 173.1 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | N1324 V1329 A1330 Q1331 | N1324-S1327 WeakPolarHBondContact O-CB 3.34Å; N1324-S1327 PolarHBondContact O-N 3.25Å; N1324-S1327 VanDerWaalsContact OD1-CB 3.3Å; N1324-S1327 WeakPolarHBondContact OD1-CB 3.42Å; S1327-V1329 VanDerWaalsContact C-N 3.28Å; S1327-V1329 PolarHBondContact O-N 3.13Å; S1327-V1329 PolarHBondContact OG-N 2.91Å; S1327-A1330 WeakPolarHBondContact O-CB 3.47Å; S1327-A1330 PolarHBondContact O-N 3.22Å; S1327-A1330 VanDerWaalsContact O-N 3.11Å; S1327-A1330 PolarHBondContact OG-N 3.15Å; S1327-Q1331 WeakPolarHBondContact O-CG 3.47Å; S1327-Q1331 PolarHBondContact O-N 3.01Å; S1327-Q1331 VanDerWaalsContact O-N 3.13Å | ||
| 1328 | P | 85.2 | Confident | 69.2 | Low | 40 Ų | 40 | 60.9 Ų | 60.9 | 26% | 0.26 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.3 | -26.8 | 178.5 | 19.3 | -23.4 | 0 | 0 | 0 | 112.2 | W1042 F1326 Q1331 F1332 | W1042-P1328 HydrophobicContact CZ3-CB 4.12Å; W1042-P1328 HydrophobicContact CZ3-CG 4.41Å; F1326-P1328 WeakPolarHBondContact O-CD 3.35Å; P1328-Q1331 PolarHBondContact O-N 3.08Å; P1328-F1332 WeakPolarHBondContact O-CB 3.32Å; P1328-F1332 PolarHBondContact O-N 3.36Å |
| 1329 | V | 89.2 | Confident | 71.9 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.7 | -42.8 | 172.8 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | W1042 G1206 A1209 L1210 S1327 Q1331 F1332 I1333 I1367 | W1042-V1329 HydrophobicContact CH2-CB 4.46Å; W1042-V1329 HydrophobicContact CH2-CG2 4.09Å; W1042-V1329 HydrophobicContact CZ2-CG2 4.19Å; W1042-V1329 HydrophobicContact CZ3-CG2 4.4Å; G1206-V1329 WeakPolarHBondContact O-CG2 3.39Å; A1209-V1329 HydrophobicContact CB-CG2 3.46Å; A1209-V1329 VanDerWaalsContact CB-CG2 3.46Å; L1210-V1329 HydrophobicContact CD2-CB 3.89Å; L1210-V1329 HydrophobicContact CD2-CG1 3.96Å; L1210-V1329 HydrophobicContact CD2-CG2 3.95Å; L1210-V1329 HydrophobicContact CG-CG2 4.41Å; S1327-V1329 VanDerWaalsContact C-N 3.28Å; S1327-V1329 PolarHBondContact O-N 3.13Å; S1327-V1329 PolarHBondContact OG-N 2.91Å; V1329-Q1331 VanDerWaalsContact C-N 3.29Å; V1329-Q1331 PolarHBondContact O-N 3.15Å; V1329-F1332 WeakPolarHBondContact O-CB 3.39Å; V1329-F1332 PolarHBondContact O-N 2.97Å; V1329-F1332 VanDerWaalsContact O-N 3.12Å; V1329-I1333 HydrophobicContact CG1-CG1 4.45Å; V1329-I1333 WeakPolarHBondContact O-CG1 3.36Å; V1329-I1333 PolarHBondContact O-N 3.21Å; V1329-I1367 HydrophobicContact CG1-CD1 4.39Å; V1329-I1367 HydrophobicContact CG1-CG1 4.42Å; V1329-I1367 HydrophobicContact CG1-CG2 4.07Å |
| 1330 | A | 88.9 | Confident | 74.5 | Confident | 7.2 Ų | 7.2 | 54.8 Ų | 54.8 | 6% | 0.06 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.9 | -37.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1324 S1327 G1334 I1370 Q1374 | N1324-A1330 WeakPolarHBondContact O-CB 3.38Å; S1327-A1330 WeakPolarHBondContact O-CB 3.47Å; S1327-A1330 PolarHBondContact O-N 3.22Å; S1327-A1330 VanDerWaalsContact O-N 3.11Å; S1327-A1330 PolarHBondContact OG-N 3.15Å; A1330-G1334 PolarHBondContact O-N 3.07Å; A1330-I1370 HydrophobicContact CB-CG2 4.22Å; A1330-Q1374 PolarHBondContact O-NE2 2.96Å |
| 1331 | Q | 89.9 | Confident | 76.4 | Confident | 93.4 Ų | 93.4 | 53.4 Ų | 53.4 | 44% | 0.436 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68 | -38.2 | 172.9 | -80.2 | -179.2 | 5 | 0 | 0 | 112.5 | Y1046 Q1325 S1327 P1328 V1329 G1334 N1335 | Y1046-Q1331 VanDerWaalsContact OH-C 3.28Å; Y1046-Q1331 WeakPolarHBondContact OH-CG 3.33Å; Y1046-Q1331 PolarHBondContact OH-O 3.27Å; Y1046-Q1331 PolarHBondContact OH-OE1 2.93Å; Q1325-Q1331 PolarHBondContact O-NE2 2.97Å; Q1325-Q1331 VanDerWaalsContact O-NE2 3.11Å; S1327-Q1331 WeakPolarHBondContact O-CG 3.47Å; S1327-Q1331 PolarHBondContact O-N 3.01Å; S1327-Q1331 VanDerWaalsContact O-N 3.13Å; P1328-Q1331 PolarHBondContact O-N 3.08Å; V1329-Q1331 VanDerWaalsContact C-N 3.29Å; V1329-Q1331 PolarHBondContact O-N 3.15Å; Q1331-G1334 PolarHBondContact O-N 3.21Å; Q1331-N1335 WeakPolarHBondContact O-CB 3.39Å; Q1331-N1335 VanDerWaalsContact O-CG 3.29Å; Q1331-N1335 PolarHBondContact O-N 3.15Å; Q1331-N1335 VanDerWaalsContact O-N 3.08Å; Q1331-N1335 PolarHBondContact O-ND2 3.17Å; Q1331-N1335 VanDerWaalsContact O-ND2 3.13Å |
| 1332 | F | 93.6 | Very high | 78.6 | Confident | 0.8 Ų | 0.8 | 48.7 Ų | 48.7 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.6 | -48.7 | 173.7 | 170.8 | -116.8 | 0 | 0 | 0 | 111.8 | W1042 Y1046 W1049 L1202 P1328 V1329 G1334 N1335 L1336 | W1042-F1332 HydrophobicContact CH2-CB 3.86Å; W1042-F1332 HydrophobicContact CH2-CG 4.33Å; W1042-F1332 HydrophobicContact CZ2-CB 4Å; W1042-F1332 AromaticContact CZ2-CD1 3.88Å; W1042-F1332 HydrophobicContact CZ2-CD1 3.88Å; W1042-F1332 AromaticContact CZ2-CG 3.95Å; W1042-F1332 HydrophobicContact CZ2-CG 4Å; Y1046-F1332 HydrophobicContact CD2-CB 4.11Å; Y1046-F1332 AromaticContact CD2-CD2 3.79Å; Y1046-F1332 HydrophobicContact CD2-CD2 3.79Å; Y1046-F1332 HydrophobicContact CD2-CG 4.28Å; Y1046-F1332 HydrophobicContact CE2-CB 3.64Å; Y1046-F1332 AromaticContact CE2-CD2 3.72Å; Y1046-F1332 HydrophobicContact CE2-CD2 3.72Å; Y1046-F1332 HydrophobicContact CE2-CG 4.13Å; Y1046-F1332 PolarHBondContact OH-N 3.19Å; W1049-F1332 HydrophobicContact CD2-CE2 4.28Å; W1049-F1332 HydrophobicContact CE3-CD2 4.26Å; W1049-F1332 HydrophobicContact CE3-CE2 4.34Å; W1049-F1332 HydrophobicContact CH2-CD2 4.35Å; W1049-F1332 HydrophobicContact CH2-CE2 4.3Å; W1049-F1332 HydrophobicContact CZ2-CE2 4.22Å; W1049-F1332 AromaticContact CZ3-CD2 3.97Å; W1049-F1332 HydrophobicContact CZ3-CD2 4.1Å; W1049-F1332 HydrophobicContact CZ3-CE2 4.35Å; L1202-F1332 HydrophobicContact CB-CD1 4.47Å; L1202-F1332 HydrophobicContact CB-CE1 3.73Å; L1202-F1332 HydrophobicContact CB-CE2 3.8Å; L1202-F1332 HydrophobicContact CB-CZ 3.31Å; L1202-F1332 HydrophobicContact CD1-CD2 4.3Å; L1202-F1332 HydrophobicContact CD1-CE2 3.75Å; L1202-F1332 HydrophobicContact CD1-CZ 4.17Å; L1202-F1332 HydrophobicContact CG-CE2 4.42Å; L1202-F1332 HydrophobicContact CG-CZ 4.38Å; P1328-F1332 WeakPolarHBondContact O-CB 3.32Å; P1328-F1332 PolarHBondContact O-N 3.36Å; V1329-F1332 WeakPolarHBondContact O-CB 3.39Å; V1329-F1332 PolarHBondContact O-N 2.97Å; V1329-F1332 VanDerWaalsContact O-N 3.12Å; F1332-G1334 PolarHBondContact O-N 3.06Å; F1332-N1335 PolarHBondContact O-N 3.16Å; F1332-L1336 HydrophobicContact CD1-CD1 4.34Å; F1332-L1336 HydrophobicContact CD2-CD1 4.49Å; F1332-L1336 HydrophobicContact CD2-CG 4.3Å; F1332-L1336 HydrophobicContact CE1-CD1 3.73Å; F1332-L1336 HydrophobicContact CE1-CG 4.42Å; F1332-L1336 HydrophobicContact CE2-CD1 4.01Å; F1332-L1336 HydrophobicContact CE2-CD2 3.96Å; F1332-L1336 HydrophobicContact CE2-CG 3.91Å; F1332-L1336 HydrophobicContact CZ-CD1 3.54Å; F1332-L1336 VanDerWaalsContact CZ-CD1 3.46Å; F1332-L1336 HydrophobicContact CZ-CD2 4.17Å; F1332-L1336 HydrophobicContact CZ-CG 3.99Å; F1332-L1336 WeakPolarHBondContact O-CG 3.32Å; F1332-L1336 PolarHBondContact O-N 2.97Å |
| 1333 | I | 93.4 | Very high | 80.7 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 177.4 | -57.7 | -57.3 | 0 | 0 | 0 | 110.9 | V1329 N1335 L1336 L1337 L1363 I1367 L1371 Q1374 | V1329-I1333 HydrophobicContact CG1-CG1 4.45Å; V1329-I1333 WeakPolarHBondContact O-CG1 3.36Å; V1329-I1333 PolarHBondContact O-N 3.21Å; I1333-N1335 VanDerWaalsContact C-N 3.34Å; I1333-N1335 PolarHBondContact O-N 2.93Å; I1333-L1336 HydrophobicContact CD1-CD1 4.27Å; I1333-L1336 WeakPolarHBondContact O-CA 3.45Å; I1333-L1336 WeakPolarHBondContact O-CB 3.35Å; I1333-L1336 PolarHBondContact O-N 3.1Å; I1333-L1336 VanDerWaalsContact O-N 3.1Å; I1333-L1337 HydrophobicContact CG2-CD1 4.39Å; I1333-L1337 HydrophobicContact CG2-CG 4.33Å; I1333-L1337 WeakPolarHBondContact O-CG 3.3Å; I1333-L1337 PolarHBondContact O-N 3.08Å; I1333-L1363 HydrophobicContact CD1-CD1 3.91Å; I1333-I1367 HydrophobicContact CD1-CG2 3.98Å; I1333-I1367 HydrophobicContact CG1-CG2 3.89Å; I1333-L1371 HydrophobicContact CG2-CB 4.45Å; I1333-L1371 HydrophobicContact CG2-CD1 3.76Å; I1333-Q1374 VanDerWaalsContact CG2-OE1 3.29Å |
| 1334 | G | 91.7 | Very high | 82.9 | Confident | 16.2 Ų | 16.2 | 41.6 Ų | 41.6 | 17% | 0.167 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.1 | -43.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1330 Q1331 F1332 L1336 L1337 L1338 Q1374 | A1330-G1334 PolarHBondContact O-N 3.07Å; Q1331-G1334 PolarHBondContact O-N 3.21Å; F1332-G1334 PolarHBondContact O-N 3.06Å; G1334-L1336 PolarHBondContact O-N 3.22Å; G1334-L1337 PolarHBondContact O-N 3.27Å; G1334-L1338 PolarHBondContact O-N 3.09Å; G1334-L1338 VanDerWaalsContact O-N 3.13Å; G1334-Q1374 VanDerWaalsContact N-OE1 3.09Å |
| 1335 | N | 92.1 | Very high | 84.8 | Confident | 41.4 Ų | 41.4 | 48.1 Ų | 48.1 | 22% | 0.221 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.3 | -39.2 | 173.6 | -76.5 | -40.3 | 0 | 0 | 0 | 112.3 | Y1046 W1049 Q1331 F1332 I1333 L1337 L1338 L1339 | Y1046-N1335 PolarHBondContact OH-ND2 3.12Å; Y1046-N1335 VanDerWaalsContact OH-ND2 3.1Å; W1049-N1335 HydrophobicContact CH2-CB 4.1Å; W1049-N1335 HydrophobicContact CZ3-CB 4.1Å; Q1331-N1335 WeakPolarHBondContact O-CB 3.39Å; Q1331-N1335 VanDerWaalsContact O-CG 3.29Å; Q1331-N1335 PolarHBondContact O-N 3.15Å; Q1331-N1335 VanDerWaalsContact O-N 3.08Å; Q1331-N1335 PolarHBondContact O-ND2 3.17Å; Q1331-N1335 VanDerWaalsContact O-ND2 3.13Å; F1332-N1335 PolarHBondContact O-N 3.16Å; I1333-N1335 VanDerWaalsContact C-N 3.34Å; I1333-N1335 PolarHBondContact O-N 2.93Å; N1335-L1337 PolarHBondContact O-N 3.44Å; N1335-L1338 PolarHBondContact O-N 3.29Å; N1335-L1339 VanDerWaalsContact O-CG 3.31Å; N1335-L1339 WeakPolarHBondContact O-CG 3.36Å; N1335-L1339 PolarHBondContact O-N 3.38Å |
| 1336 | L | 93.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.5 | -40.7 | 172.8 | -69.3 | -178.4 | 0 | 0 | 0 | 112.4 | W1049 T1199 F1332 I1333 G1334 L1338 L1339 I1340 V1355 I1359 | W1049-L1336 HydrophobicContact CH2-CD2 3.92Å; W1049-L1336 HydrophobicContact CH2-CG 4.47Å; W1049-L1336 HydrophobicContact CZ2-CD2 3.52Å; W1049-L1336 VanDerWaalsContact CZ2-CD2 3.49Å; W1049-L1336 HydrophobicContact CZ2-CG 4.47Å; T1199-L1336 HydrophobicContact CG2-CD2 3.99Å; F1332-L1336 HydrophobicContact CD1-CD1 4.34Å; F1332-L1336 HydrophobicContact CD2-CD1 4.49Å; F1332-L1336 HydrophobicContact CD2-CG 4.3Å; F1332-L1336 HydrophobicContact CE1-CD1 3.73Å; F1332-L1336 HydrophobicContact CE1-CG 4.42Å; F1332-L1336 HydrophobicContact CE2-CD1 4.01Å; F1332-L1336 HydrophobicContact CE2-CD2 3.96Å; F1332-L1336 HydrophobicContact CE2-CG 3.91Å; F1332-L1336 HydrophobicContact CZ-CD1 3.54Å; F1332-L1336 VanDerWaalsContact CZ-CD1 3.46Å; F1332-L1336 HydrophobicContact CZ-CD2 4.17Å; F1332-L1336 HydrophobicContact CZ-CG 3.99Å; F1332-L1336 WeakPolarHBondContact O-CG 3.32Å; F1332-L1336 PolarHBondContact O-N 2.97Å; I1333-L1336 HydrophobicContact CD1-CD1 4.27Å; I1333-L1336 WeakPolarHBondContact O-CA 3.45Å; I1333-L1336 WeakPolarHBondContact O-CB 3.35Å; I1333-L1336 PolarHBondContact O-N 3.1Å; I1333-L1336 VanDerWaalsContact O-N 3.1Å; G1334-L1336 PolarHBondContact O-N 3.22Å; L1336-L1338 VanDerWaalsContact C-N 3.27Å; L1336-L1338 PolarHBondContact O-N 3.16Å; L1336-L1339 HydrophobicContact CD2-CD1 4.47Å; L1336-L1339 WeakPolarHBondContact O-CA 3.45Å; L1336-L1339 WeakPolarHBondContact O-CB 3.32Å; L1336-L1339 PolarHBondContact O-N 3.31Å; L1336-I1340 PolarHBondContact O-N 3.17Å; L1336-I1340 VanDerWaalsContact O-N 3.16Å; L1336-V1355 HydrophobicContact CB-CG1 4.07Å; L1336-V1355 HydrophobicContact CD2-CG1 4.13Å; L1336-V1355 HydrophobicContact CD2-CG2 4.29Å; L1336-V1355 HydrophobicContact CG-CG1 4.44Å; L1336-I1359 HydrophobicContact CB-CD1 4.11Å; L1336-I1359 HydrophobicContact CD1-CD1 4.31Å; L1336-I1359 HydrophobicContact CD1-CG1 4Å |
| 1337 | L | 92.9 | Very high | 88.2 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.2 | -29.6 | 179.4 | -67.1 | -176 | 0 | 0 | 0 | 112.6 | I1333 G1334 N1335 L1339 I1340 I1359 L1371 Q1374 L1375 F1400 | I1333-L1337 HydrophobicContact CG2-CD1 4.39Å; I1333-L1337 HydrophobicContact CG2-CG 4.33Å; I1333-L1337 WeakPolarHBondContact O-CG 3.3Å; I1333-L1337 PolarHBondContact O-N 3.08Å; G1334-L1337 PolarHBondContact O-N 3.27Å; N1335-L1337 PolarHBondContact O-N 3.44Å; L1337-L1339 VanDerWaalsContact C-N 3.34Å; L1337-I1340 HydrophobicContact CD2-CD1 3.8Å; L1337-I1340 WeakPolarHBondContact O-CB 3.32Å; L1337-I1340 VanDerWaalsContact O-CG1 3.31Å; L1337-I1340 WeakPolarHBondContact O-CG1 3.37Å; L1337-I1359 HydrophobicContact CD2-CD1 4.39Å; L1337-L1371 HydrophobicContact CD2-CD1 4.18Å; L1337-Q1374 HydrophobicContact CD1-CB 3.68Å; L1337-L1375 HydrophobicContact CD1-CD2 4.15Å; L1337-L1375 HydrophobicContact CD1-CG 4.45Å; L1337-L1375 HydrophobicContact CD2-CD2 3.54Å; L1337-L1375 HydrophobicContact CD2-CG 4.33Å; L1337-L1375 HydrophobicContact CG-CD2 4.48Å; L1337-F1400 HydrophobicContact CB-CE2 4.44Å |
| 1338 | L | 91.1 | Very high | 88.8 | Confident | 93 Ų | 93 | 36.6 Ų | 36.6 | 49% | 0.487 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -68 | -35.7 | 168.9 | -65.6 | 173.3 | 0 | 0 | 0 | 112.3 | I1109 G1334 N1335 L1336 I1340 S1341 | I1109-L1338 HydrophobicContact CD1-CD1 4.27Å; G1334-L1338 PolarHBondContact O-N 3.09Å; G1334-L1338 VanDerWaalsContact O-N 3.13Å; N1335-L1338 PolarHBondContact O-N 3.29Å; L1336-L1338 VanDerWaalsContact C-N 3.27Å; L1336-L1338 PolarHBondContact O-N 3.16Å; L1338-I1340 VanDerWaalsContact C-N 3.29Å; L1338-I1340 PolarHBondContact O-N 3.06Å; L1338-S1341 PolarHBondContact O-N 3.26Å |
| 1339 | L | 92 | Very high | 89 | Confident | 8.8 Ų | 8.8 | 41.3 Ų | 41.3 | 5% | 0.046 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -73.4 | -22.7 | -178.9 | -63.8 | 174.5 | 0 | 0 | 0 | 113.9 | W1049 T1053 I1057 W1195 N1335 L1336 L1337 S1341 C1342 I1351 V1355 | W1049-L1339 HydrophobicContact CH2-CD1 3.75Å; W1049-L1339 HydrophobicContact CZ2-CD1 3.61Å; T1053-L1339 HydrophobicContact CG2-CD1 4.01Å; T1053-L1339 HydrophobicContact CG2-CD2 4Å; T1053-L1339 HydrophobicContact CG2-CG 4.49Å; I1057-L1339 HydrophobicContact CD1-CD2 3.63Å; I1057-L1339 HydrophobicContact CG1-CD2 4.44Å; W1195-L1339 HydrophobicContact CZ2-CD1 4.03Å; N1335-L1339 VanDerWaalsContact O-CG 3.31Å; N1335-L1339 WeakPolarHBondContact O-CG 3.36Å; N1335-L1339 PolarHBondContact O-N 3.38Å; L1336-L1339 HydrophobicContact CD2-CD1 4.47Å; L1336-L1339 WeakPolarHBondContact O-CA 3.45Å; L1336-L1339 WeakPolarHBondContact O-CB 3.32Å; L1336-L1339 PolarHBondContact O-N 3.31Å; L1337-L1339 VanDerWaalsContact C-N 3.34Å; L1339-S1341 PolarHBondContact O-N 3.13Å; L1339-S1341 VanDerWaalsContact O-N 3.16Å; L1339-C1342 HydrophobicContact CD2-CB 4.5Å; L1339-C1342 VanDerWaalsContact O-CB 3.26Å; L1339-C1342 WeakPolarHBondContact O-CB 3.46Å; L1339-C1342 PolarHBondContact O-N 3.09Å; L1339-C1342 VanDerWaalsContact O-N 3.1Å; L1339-I1351 HydrophobicContact CB-CG2 4.18Å; L1339-I1351 HydrophobicContact CD2-CG2 4.38Å; L1339-V1355 HydrophobicContact CB-CG2 4.05Å; L1339-V1355 HydrophobicContact CD1-CG2 4.38Å |
| 1340 | I | 91.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -17.6 | 172.6 | -25.6 | 172.5 | 0 | 0 | 0 | 112.8 | L1336 L1337 L1338 Q1352 V1355 K1356 I1359 F1400 N1403 V1404 I1407 | L1336-I1340 PolarHBondContact O-N 3.17Å; L1336-I1340 VanDerWaalsContact O-N 3.16Å; L1337-I1340 HydrophobicContact CD2-CD1 3.8Å; L1337-I1340 WeakPolarHBondContact O-CB 3.32Å; L1337-I1340 VanDerWaalsContact O-CG1 3.31Å; L1337-I1340 WeakPolarHBondContact O-CG1 3.37Å; L1338-I1340 VanDerWaalsContact C-N 3.29Å; L1338-I1340 PolarHBondContact O-N 3.06Å; I1340-Q1352 WeakPolarHBondContact O-CG 3.47Å; I1340-V1355 HydrophobicContact CD1-CG1 4.43Å; I1340-V1355 HydrophobicContact CG1-CG1 3.66Å; I1340-V1355 HydrophobicContact CG2-CB 4.05Å; I1340-V1355 HydrophobicContact CG2-CG1 3.48Å; I1340-V1355 VanDerWaalsContact CG2-CG1 3.48Å; I1340-K1356 HydrophobicContact CG2-CB 4.35Å; I1340-I1359 HydrophobicContact CD1-CD1 3.92Å; I1340-I1359 HydrophobicContact CG1-CD1 4.44Å; I1340-I1359 HydrophobicContact CG2-CD1 4.27Å; I1340-F1400 HydrophobicContact CB-CD2 4.46Å; I1340-F1400 HydrophobicContact CD1-CD2 3.81Å; I1340-F1400 HydrophobicContact CD1-CE2 3.69Å; I1340-F1400 HydrophobicContact CD1-CZ 4.48Å; I1340-F1400 HydrophobicContact CG1-CD2 3.87Å; I1340-F1400 HydrophobicContact CG1-CE2 3.97Å; I1340-F1400 HydrophobicContact CG2-CD2 4.1Å; I1340-N1403 HydrophobicContact CB-CB 4.22Å; I1340-N1403 HydrophobicContact CD1-CB 4.18Å; I1340-N1403 HydrophobicContact CG2-CB 3.25Å; I1340-N1403 PolarHBondContact O-ND2 3.11Å; I1340-V1404 HydrophobicContact CD1-CG2 4.01Å; I1340-I1407 HydrophobicContact CD1-CD1 3.62Å; I1340-I1407 VanDerWaalsContact CD1-CD1 3.48Å; I1340-I1407 HydrophobicContact CG1-CD1 4.42Å; I1340-I1407 HydrophobicContact CG2-CD1 4.31Å |
| 1341 | S | 86.8 | Confident | 89.2 | Confident | 20 Ų | 20 | 46 Ų | 46 | 14% | 0.14 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 18.8 | 175.4 | -58.2 | 0 | 0 | 0 | 0 | 113 | L1338 L1339 Q1343 T1396 F1400 | L1338-S1341 PolarHBondContact O-N 3.26Å; L1339-S1341 PolarHBondContact O-N 3.13Å; L1339-S1341 VanDerWaalsContact O-N 3.16Å; S1341-Q1343 PolarHBondContact O-N 3.28Å; S1341-Q1343 VanDerWaalsContact O-N 3.12Å; S1341-T1396 PolarHBondContact OG-O 3.4Å; S1341-F1400 WeakPolarHBondContact OG-CA 3.32Å; S1341-F1400 WeakPolarHBondContact OG-CB 3.32Å; S1341-F1400 PolarHBondContact OG-N 2.87Å |
| 1342 | C | 85.5 | Confident | 89.4 | Confident | 13.2 Ų | 13.2 | 42.3 Ų | 42.3 | 9% | 0.089 | 21% | 0.208 | C | C | . | . | trans | -70.2 | 101.2 | -177.1 | -175 | 0 | 0 | 0 | 0 | 112.2 | L1339 H1344 G1348 I1351 Q1352 | L1339-C1342 HydrophobicContact CD2-CB 4.5Å; L1339-C1342 VanDerWaalsContact O-CB 3.26Å; L1339-C1342 WeakPolarHBondContact O-CB 3.46Å; L1339-C1342 PolarHBondContact O-N 3.09Å; L1339-C1342 VanDerWaalsContact O-N 3.1Å; C1342-H1344 VanDerWaalsContact C-N 3.28Å; C1342-H1344 PolarHBondContact O-N 3.05Å; C1342-H1344 VanDerWaalsContact O-N 3.11Å; C1342-G1348 VanDerWaalsContact O-CA 3.3Å; C1342-G1348 WeakPolarHBondContact O-CA 3.34Å; C1342-I1351 HydrophobicContact CB-CG2 4.31Å; C1342-Q1352 PolarHBondContact O-NE2 3.13Å | ||
| 1343 | Q | 83 | Confident | 89.3 | Confident | 103.2 Ų | 103.2 | 46.3 Ų | 46.3 | 48% | 0.482 | 23% | 0.226 | S | C | . | . | trans | -83 | 42 | 179.5 | -67.7 | 174.8 | -22.7 | 0 | 0 | 113.2 | S1341 E1345 E1395 T1396 L1399 | S1341-Q1343 PolarHBondContact O-N 3.28Å; S1341-Q1343 VanDerWaalsContact O-N 3.12Å; Q1343-E1345 PolarHBondContact O-N 3.18Å; Q1343-E1395 PolarHBondContact NE2-OE1 2.82Å; Q1343-T1396 PolarHBondContact NE2-OG1 2.92Å; Q1343-T1396 PolarHBondContact OE1-OG1 2.89Å; Q1343-L1399 HydrophobicContact CG-CD2 4.38Å | ||
| 1344 | H | 84.3 | Confident | 89.3 | Confident | 29.8 Ų | 29.8 | 48.5 Ų | 48.5 | 14% | 0.138 | 24% | 0.236 | C | C | . | . | trans | -79.1 | 125.6 | -178.9 | -176.6 | -83.2 | 0 | 0 | 0 | 112.3 | L1056 I1057 Y1059 C1342 K1346 F1347 G1348 | L1056-H1344 PolarHBondContact O-NE2 2.98Å; I1057-H1344 PolarHBondContact O-CD2 3.09Å; I1057-H1344 VanDerWaalsContact O-CD2 3.26Å; Y1059-H1344 PolarHBondContact O-CE1 3.07Å; Y1059-H1344 PolarHBondContact O-NE2 3.09Å; C1342-H1344 VanDerWaalsContact C-N 3.28Å; C1342-H1344 PolarHBondContact O-N 3.05Å; C1342-H1344 VanDerWaalsContact O-N 3.11Å; H1344-K1346 PolarHBondContact ND1-N 3.16Å; H1344-K1346 PolarHBondContact O-N 2.96Å; H1344-K1346 VanDerWaalsContact O-N 3.16Å; H1344-F1347 AromaticContact CE1-CD2 3.78Å; H1344-F1347 AromaticContact ND1-CD2 3.68Å; H1344-F1347 PolarHBondContact ND1-N 2.99Å; H1344-F1347 PolarHBondContact O-N 3.14Å; H1344-G1348 VanDerWaalsContact O-CA 3.27Å; H1344-G1348 WeakPolarHBondContact O-CA 3.36Å; H1344-G1348 PolarHBondContact O-N 3.07Å | ||
| 1345 | E | 82.3 | Confident | 89.5 | Confident | 190.2 Ų | 190.2 | 47.7 Ų | 47.7 | 89% | 0.889 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48 | -56.1 | -172.5 | -63.6 | 177.4 | 177.9 | 0 | 0 | 114.8 | Q1343 | Q1343-E1345 PolarHBondContact O-N 3.18Š|
| 1346 | K | 84 | Confident | 89.5 | Confident | 97.4 Ų | 97.4 | 47.5 Ų | 47.5 | 42% | 0.423 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -37.3 | -175 | -155.4 | 176.2 | 176.5 | 178 | 0 | 114.7 | Y1059 D1185 H1344 | Y1059-K1346 HydrophobicContact CE1-CD 4.37Å; D1185-K1346 IonicContact OD1-NZ 3.4Å; D1185-K1346 PolarHBondContact OD1-NZ 3.02Å; H1344-K1346 PolarHBondContact ND1-N 3.16Å; H1344-K1346 PolarHBondContact O-N 2.96Å; H1344-K1346 VanDerWaalsContact O-N 3.16Å |
| 1347 | F | 86.6 | Confident | 89.4 | Confident | 9.8 Ų | 9.8 | 50.6 Ų | 50.6 | 4% | 0.043 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | -7.8 | -167.9 | -56.7 | -56.1 | 0 | 0 | 0 | 114.9 | L1056 Y1059 I1188 L1192 H1344 H1349 Q1350 I1351 | L1056-F1347 HydrophobicContact CD2-CD2 4.36Å; L1056-F1347 HydrophobicContact CD2-CE2 4.37Å; Y1059-F1347 AromaticContact CD1-CE2 3.73Å; Y1059-F1347 HydrophobicContact CD1-CE2 3.73Å; Y1059-F1347 HydrophobicContact CD1-CZ 4.23Å; Y1059-F1347 HydrophobicContact CE1-CE2 4.34Å; Y1059-F1347 HydrophobicContact CG-CE2 4.29Å; I1188-F1347 HydrophobicContact CB-CZ 4.43Å; I1188-F1347 HydrophobicContact CD1-CE2 4.37Å; I1188-F1347 HydrophobicContact CD1-CZ 4.45Å; I1188-F1347 HydrophobicContact CG1-CE1 4.45Å; I1188-F1347 HydrophobicContact CG1-CE2 3.8Å; I1188-F1347 HydrophobicContact CG1-CZ 3.45Å; I1188-F1347 VanDerWaalsContact CG1-CZ 3.46Å; I1188-F1347 HydrophobicContact CG2-CZ 4.12Å; L1192-F1347 HydrophobicContact CD1-CB 4.17Å; L1192-F1347 HydrophobicContact CD1-CD1 3.62Å; L1192-F1347 HydrophobicContact CD1-CE1 4.25Å; L1192-F1347 HydrophobicContact CD1-CG 4.01Å; L1192-F1347 HydrophobicContact CD2-CD1 3.93Å; L1192-F1347 HydrophobicContact CD2-CE1 4.3Å; H1344-F1347 AromaticContact CE1-CD2 3.78Å; H1344-F1347 AromaticContact ND1-CD2 3.68Å; H1344-F1347 PolarHBondContact ND1-N 2.99Å; H1344-F1347 PolarHBondContact O-N 3.14Å; F1347-H1349 PolarHBondContact O-N 3.27Å; F1347-Q1350 WeakPolarHBondContact O-CA 3.37Å; F1347-Q1350 WeakPolarHBondContact O-CB 3.3Å; F1347-Q1350 PolarHBondContact O-N 3.11Å; F1347-I1351 HydrophobicContact CB-CD1 3.84Å; F1347-I1351 HydrophobicContact CB-CG1 4.28Å; F1347-I1351 WeakPolarHBondContact O-CG1 3.45Å; F1347-I1351 PolarHBondContact O-N 3.17Å |
| 1348 | G | 87.9 | Confident | 89.4 | Confident | 1.8 Ų | 1.8 | 50.6 Ų | 50.6 | 2% | 0.019 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -54.4 | -51.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | C1342 H1344 Q1350 I1351 Q1352 | C1342-G1348 VanDerWaalsContact O-CA 3.3Å; C1342-G1348 WeakPolarHBondContact O-CA 3.34Å; H1344-G1348 VanDerWaalsContact O-CA 3.27Å; H1344-G1348 WeakPolarHBondContact O-CA 3.36Å; H1344-G1348 PolarHBondContact O-N 3.07Å; G1348-Q1350 VanDerWaalsContact C-N 3.31Å; G1348-Q1350 PolarHBondContact O-N 3.07Å; G1348-I1351 PolarHBondContact O-N 3.05Å; G1348-Q1352 WeakPolarHBondContact O-CB 3.3Å; G1348-Q1352 WeakPolarHBondContact O-CG 3.43Å; G1348-Q1352 PolarHBondContact O-N 3.21Å |
| 1349 | H | 89.2 | Confident | 89.5 | Confident | 140 Ų | 140 | 46.2 Ų | 46.2 | 65% | 0.648 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -61.4 | -35.6 | 177 | -134.9 | -15.6 | 0 | 0 | 0 | 113.4 | F1347 Q1352 K1353 | F1347-H1349 PolarHBondContact O-N 3.27Å; H1349-Q1352 PolarHBondContact ND1-OE1 3.11Å; H1349-K1353 VanDerWaalsContact O-CB 3.26Å; H1349-K1353 WeakPolarHBondContact O-CB 3.42Å; H1349-K1353 PolarHBondContact O-N 3.01Å |
| 1350 | Q | 90.4 | Very high | 89.4 | Confident | 103.6 Ų | 103.6 | 45.8 Ų | 45.8 | 48% | 0.484 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -70.4 | -44.2 | 177.8 | -57.2 | -167.6 | 44 | 0 | 0 | 111.3 | L1192 F1347 G1348 K1353 H1354 | L1192-Q1350 HydrophobicContact CD1-CB 4.35Å; L1192-Q1350 HydrophobicContact CD2-CB 4.21Å; L1192-Q1350 VanDerWaalsContact CD2-OE1 3.29Å; F1347-Q1350 WeakPolarHBondContact O-CA 3.37Å; F1347-Q1350 WeakPolarHBondContact O-CB 3.3Å; F1347-Q1350 PolarHBondContact O-N 3.11Å; G1348-Q1350 VanDerWaalsContact C-N 3.31Å; G1348-Q1350 PolarHBondContact O-N 3.07Å; Q1350-K1353 PolarHBondContact O-N 3.1Å; Q1350-H1354 WeakPolarHBondContact O-CB 3.27Å; Q1350-H1354 PolarHBondContact O-N 3.16Å |
| 1351 | I | 92.5 | Very high | 89.2 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.7 | -52 | 174.9 | -70.4 | 168.9 | 0 | 0 | 0 | 110.1 | L1192 W1195 L1339 C1342 F1347 G1348 K1353 H1354 V1355 | L1192-I1351 HydrophobicContact CD1-CG1 4.25Å; W1195-I1351 HydrophobicContact CH2-CB 4.36Å; W1195-I1351 HydrophobicContact CH2-CG1 4.25Å; W1195-I1351 HydrophobicContact CH2-CG2 3.93Å; W1195-I1351 HydrophobicContact CZ2-CG2 4.46Å; W1195-I1351 HydrophobicContact CZ3-CG1 4.27Å; L1339-I1351 HydrophobicContact CB-CG2 4.18Å; L1339-I1351 HydrophobicContact CD2-CG2 4.38Å; C1342-I1351 HydrophobicContact CB-CG2 4.31Å; F1347-I1351 HydrophobicContact CB-CD1 3.84Å; F1347-I1351 HydrophobicContact CB-CG1 4.28Å; F1347-I1351 WeakPolarHBondContact O-CG1 3.45Å; F1347-I1351 PolarHBondContact O-N 3.17Å; G1348-I1351 PolarHBondContact O-N 3.05Å; I1351-K1353 VanDerWaalsContact C-N 3.33Å; I1351-K1353 PolarHBondContact O-N 3.18Å; I1351-H1354 PolarHBondContact O-N 3.12Å; I1351-V1355 HydrophobicContact CG2-CG2 4.4Å; I1351-V1355 WeakPolarHBondContact O-CB 3.3Å; I1351-V1355 VanDerWaalsContact O-CG2 3.28Å; I1351-V1355 WeakPolarHBondContact O-CG2 3.35Å; I1351-V1355 PolarHBondContact O-N 2.88Å |
| 1352 | Q | 92.9 | Very high | 89.3 | Confident | 14.2 Ų | 14.2 | 49.3 Ų | 49.3 | 7% | 0.066 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.1 | -46.2 | 177.6 | -69.6 | 168.9 | 27.2 | 0 | 0 | 111.9 | I1340 C1342 G1348 H1349 K1356 | I1340-Q1352 WeakPolarHBondContact O-CG 3.47Å; C1342-Q1352 PolarHBondContact O-NE2 3.13Å; G1348-Q1352 WeakPolarHBondContact O-CB 3.3Å; G1348-Q1352 WeakPolarHBondContact O-CG 3.43Å; G1348-Q1352 PolarHBondContact O-N 3.21Å; H1349-Q1352 PolarHBondContact ND1-OE1 3.11Å; Q1352-K1356 WeakPolarHBondContact O-CB 3.34Å; Q1352-K1356 WeakPolarHBondContact O-CD 2.88Å; Q1352-K1356 VanDerWaalsContact O-CG 3.26Å; Q1352-K1356 WeakPolarHBondContact O-CG 3.37Å; Q1352-K1356 PolarHBondContact O-N 3.01Å; Q1352-K1356 VanDerWaalsContact O-N 3.11Å |
| 1353 | K | 92.5 | Very high | 89.6 | Confident | 85.8 Ų | 85.8 | 48.7 Ų | 48.7 | 37% | 0.373 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.2 | -51.7 | 177.4 | -177.6 | -180 | 178.2 | -178.9 | 0 | 110.8 | H1349 Q1350 I1351 V1355 K1356 E1357 E1552 Y1693 | H1349-K1353 VanDerWaalsContact O-CB 3.26Å; H1349-K1353 WeakPolarHBondContact O-CB 3.42Å; H1349-K1353 PolarHBondContact O-N 3.01Å; Q1350-K1353 PolarHBondContact O-N 3.1Å; I1351-K1353 VanDerWaalsContact C-N 3.33Å; I1351-K1353 PolarHBondContact O-N 3.18Å; K1353-V1355 PolarHBondContact O-N 3.1Å; K1353-K1356 WeakPolarHBondContact O-CG 3.31Å; K1353-K1356 PolarHBondContact O-N 3.25Å; K1353-E1357 VanDerWaalsContact CE-CD 3.45Å; K1353-E1357 WeakPolarHBondContact CE-OE1 3.34Å; K1353-E1357 WeakPolarHBondContact CE-OE2 3.48Å; K1353-E1357 HydrophobicContact CG-CG 4.49Å; K1353-E1357 VanDerWaalsContact CG-OE1 3.27Å; K1353-E1357 WeakPolarHBondContact CG-OE1 3.33Å; K1353-E1357 IonicContact NZ-OE1 3.33Å; K1353-E1357 VanDerWaalsContact O-CB 3.31Å; K1353-E1357 WeakPolarHBondContact O-CB 3.33Å; K1353-E1357 WeakPolarHBondContact O-CG 3.38Å; K1353-E1357 PolarHBondContact O-N 2.98Å; K1353-E1552 IonicContact NZ-OE2 3.55Å; K1353-Y1693 VanDerWaalsContact NZ-CD2 3.32Å |
| 1354 | H | 92.4 | Very high | 89.9 | Confident | 45.6 Ų | 45.6 | 43.8 Ų | 43.8 | 21% | 0.211 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.5 | -41.1 | -177.5 | -170.6 | 65.4 | 0 | 0 | 0 | 112.6 | W1195 A1196 Q1350 I1351 K1356 E1357 S1358 | W1195-H1354 HydrophobicContact CZ3-CB 4.36Å; W1195-H1354 AromaticContact CZ3-CD2 3.89Å; A1196-H1354 VanDerWaalsContact CA-NE2 3.29Å; A1196-H1354 WeakPolarHBondContact CA-NE2 3.35Å; A1196-H1354 WeakPolarHBondContact CB-NE2 3.44Å; A1196-H1354 PolarHBondContact O-NE2 3.27Å; Q1350-H1354 WeakPolarHBondContact O-CB 3.27Å; Q1350-H1354 PolarHBondContact O-N 3.16Å; I1351-H1354 PolarHBondContact O-N 3.12Å; H1354-K1356 PolarHBondContact O-N 3.15Å; H1354-E1357 PolarHBondContact O-N 3.27Å; H1354-S1358 PolarHBondContact CD2-OG 2.7Å; H1354-S1358 PolarHBondContact CE1-OG 2.96Å; H1354-S1358 VanDerWaalsContact CE1-OG 3.26Å; H1354-S1358 PolarHBondContact NE2-OG 3.28Å; H1354-S1358 VanDerWaalsContact NE2-OG 3.14Å; H1354-S1358 WeakPolarHBondContact O-CB 3.37Å; H1354-S1358 PolarHBondContact O-N 3.16Å; H1354-S1358 PolarHBondContact O-OG 3.22Å |
| 1355 | V | 95.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.1 | -48.1 | 177.6 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | W1195 T1199 L1336 L1339 I1340 I1351 K1353 E1357 S1358 I1359 | W1195-V1355 HydrophobicContact CH2-CG2 3.77Å; W1195-V1355 HydrophobicContact CZ2-CG2 4.34Å; T1199-V1355 HydrophobicContact CG2-CG2 4.47Å; L1336-V1355 HydrophobicContact CB-CG1 4.07Å; L1336-V1355 HydrophobicContact CD2-CG1 4.13Å; L1336-V1355 HydrophobicContact CD2-CG2 4.29Å; L1336-V1355 HydrophobicContact CG-CG1 4.44Å; L1339-V1355 HydrophobicContact CB-CG2 4.05Å; L1339-V1355 HydrophobicContact CD1-CG2 4.38Å; I1340-V1355 HydrophobicContact CD1-CG1 4.43Å; I1340-V1355 HydrophobicContact CG1-CG1 3.66Å; I1340-V1355 HydrophobicContact CG2-CB 4.05Å; I1340-V1355 HydrophobicContact CG2-CG1 3.48Å; I1340-V1355 VanDerWaalsContact CG2-CG1 3.48Å; I1351-V1355 HydrophobicContact CG2-CG2 4.4Å; I1351-V1355 WeakPolarHBondContact O-CB 3.3Å; I1351-V1355 VanDerWaalsContact O-CG2 3.28Å; I1351-V1355 WeakPolarHBondContact O-CG2 3.35Å; I1351-V1355 PolarHBondContact O-N 2.88Å; K1353-V1355 PolarHBondContact O-N 3.1Å; V1355-E1357 VanDerWaalsContact C-N 3.32Å; V1355-E1357 PolarHBondContact O-N 3.21Å; V1355-S1358 PolarHBondContact O-N 3.03Å; V1355-S1358 VanDerWaalsContact O-N 3.15Å; V1355-I1359 HydrophobicContact CG1-CD1 3.66Å; V1355-I1359 HydrophobicContact CG1-CG1 4.29Å; V1355-I1359 WeakPolarHBondContact O-CB 3.34Å; V1355-I1359 VanDerWaalsContact O-CG1 3.27Å; V1355-I1359 WeakPolarHBondContact O-CG1 3.29Å; V1355-I1359 PolarHBondContact O-N 3.15Å |
| 1356 | K | 92.9 | Very high | 90 | Very high | 36.6 Ų | 36.6 | 35.5 Ų | 35.5 | 16% | 0.159 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.3 | -31.3 | -179.3 | 77.1 | -167.5 | -177.3 | -170 | 0 | 112.8 | I1340 Q1352 K1353 H1354 G1360 N1403 F1406 I1407 | I1340-K1356 HydrophobicContact CG2-CB 4.35Å; Q1352-K1356 WeakPolarHBondContact O-CB 3.34Å; Q1352-K1356 WeakPolarHBondContact O-CD 2.88Å; Q1352-K1356 VanDerWaalsContact O-CG 3.26Å; Q1352-K1356 WeakPolarHBondContact O-CG 3.37Å; Q1352-K1356 PolarHBondContact O-N 3.01Å; Q1352-K1356 VanDerWaalsContact O-N 3.11Å; K1353-K1356 WeakPolarHBondContact O-CG 3.31Å; K1353-K1356 PolarHBondContact O-N 3.25Å; H1354-K1356 PolarHBondContact O-N 3.15Å; K1356-G1360 WeakPolarHBondContact O-CA 3.48Å; K1356-G1360 PolarHBondContact O-N 3.07Å; K1356-N1403 HydrophobicContact CD-CB 4.19Å; K1356-N1403 WeakPolarHBondContact CD-OD1 3.43Å; K1356-N1403 WeakPolarHBondContact CE-OD1 3.46Å; K1356-N1403 PolarHBondContact NZ-OD1 3.01Å; K1356-F1406 HydrophobicContact CB-CD1 4.01Å; K1356-F1406 HydrophobicContact CB-CE1 4.35Å; K1356-F1406 HydrophobicContact CD-CD1 4Å; K1356-F1406 HydrophobicContact CD-CE1 4.4Å; K1356-F1406 HydrophobicContact CD-CG 4.31Å; K1356-F1406 HydrophobicContact CG-CD1 3.7Å; K1356-F1406 HydrophobicContact CG-CE1 3.82Å; K1356-I1407 HydrophobicContact CB-CD1 4.04Å; K1356-I1407 HydrophobicContact CB-CG1 3.92Å |
| 1357 | E | 92 | Very high | 90.2 | Very high | 65.2 Ų | 65.2 | 30.9 Ų | 30.9 | 31% | 0.305 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -71 | -38.9 | 170.9 | -74.3 | 177.8 | -159.1 | 0 | 0 | 112.5 | K1353 H1354 V1355 G1360 N1361 F1406 | K1353-E1357 VanDerWaalsContact CE-CD 3.45Å; K1353-E1357 WeakPolarHBondContact CE-OE1 3.34Å; K1353-E1357 WeakPolarHBondContact CE-OE2 3.48Å; K1353-E1357 HydrophobicContact CG-CG 4.49Å; K1353-E1357 VanDerWaalsContact CG-OE1 3.27Å; K1353-E1357 WeakPolarHBondContact CG-OE1 3.33Å; K1353-E1357 IonicContact NZ-OE1 3.33Å; K1353-E1357 VanDerWaalsContact O-CB 3.31Å; K1353-E1357 WeakPolarHBondContact O-CB 3.33Å; K1353-E1357 WeakPolarHBondContact O-CG 3.38Å; K1353-E1357 PolarHBondContact O-N 2.98Å; H1354-E1357 PolarHBondContact O-N 3.27Å; V1355-E1357 VanDerWaalsContact C-N 3.32Å; V1355-E1357 PolarHBondContact O-N 3.21Å; E1357-G1360 PolarHBondContact O-N 2.93Å; E1357-N1361 WeakPolarHBondContact O-CA 3.34Å; E1357-N1361 VanDerWaalsContact O-CB 3.23Å; E1357-N1361 WeakPolarHBondContact O-CB 3.39Å; E1357-N1361 PolarHBondContact O-N 3.27Å; E1357-N1361 PolarHBondContact O-ND2 3.14Å; E1357-F1406 HydrophobicContact CG-CE1 4.32Å; E1357-F1406 HydrophobicContact CG-CZ 4.28Å |
| 1358 | S | 92.5 | Very high | 90.4 | Very high | 2.2 Ų | 2.2 | 30.6 Ų | 30.6 | 2% | 0.015 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.2 | -43.6 | 176.6 | -67.2 | 0 | 0 | 0 | 0 | 112.6 | H1354 V1355 E1362 L1363 | H1354-S1358 PolarHBondContact CD2-OG 2.7Å; H1354-S1358 PolarHBondContact CE1-OG 2.96Å; H1354-S1358 VanDerWaalsContact CE1-OG 3.26Å; H1354-S1358 PolarHBondContact NE2-OG 3.28Å; H1354-S1358 VanDerWaalsContact NE2-OG 3.14Å; H1354-S1358 WeakPolarHBondContact O-CB 3.37Å; H1354-S1358 PolarHBondContact O-N 3.16Å; H1354-S1358 PolarHBondContact O-OG 3.22Å; V1355-S1358 PolarHBondContact O-N 3.03Å; V1355-S1358 VanDerWaalsContact O-N 3.15Å; S1358-E1362 VanDerWaalsContact CB-OE2 3.31Å; S1358-E1362 WeakPolarHBondContact CB-OE2 3.22Å; S1358-E1362 CarbonylContact O-C 3.44Å; S1358-E1362 WeakPolarHBondContact O-CA 3.28Å; S1358-E1362 WeakPolarHBondContact O-CB 3.35Å; S1358-E1362 PolarHBondContact O-N 3.41Å; S1358-E1362 PolarHBondContact OG-OE2 3.12Å; S1358-L1363 PolarHBondContact O-N 2.98Å; S1358-L1363 VanDerWaalsContact O-N 3.12Å |
| 1359 | I | 93.3 | Very high | 90.4 | Very high | 0.2 Ų | 0.2 | 31.2 Ų | 31.2 | 0% | 0.001 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.5 | -47.9 | 174 | -62.1 | 168.1 | 0 | 0 | 0 | 109.7 | L1336 L1337 I1340 V1355 N1361 L1363 L1371 I1407 | L1336-I1359 HydrophobicContact CB-CD1 4.11Å; L1336-I1359 HydrophobicContact CD1-CD1 4.31Å; L1336-I1359 HydrophobicContact CD1-CG1 4Å; L1337-I1359 HydrophobicContact CD2-CD1 4.39Å; I1340-I1359 HydrophobicContact CD1-CD1 3.92Å; I1340-I1359 HydrophobicContact CG1-CD1 4.44Å; I1340-I1359 HydrophobicContact CG2-CD1 4.27Å; V1355-I1359 HydrophobicContact CG1-CD1 3.66Å; V1355-I1359 HydrophobicContact CG1-CG1 4.29Å; V1355-I1359 WeakPolarHBondContact O-CB 3.34Å; V1355-I1359 VanDerWaalsContact O-CG1 3.27Å; V1355-I1359 WeakPolarHBondContact O-CG1 3.29Å; V1355-I1359 PolarHBondContact O-N 3.15Å; I1359-N1361 PolarHBondContact O-N 2.88Å; I1359-L1363 HydrophobicContact CG2-CD2 4.27Å; I1359-L1363 VanDerWaalsContact O-CB 3.26Å; I1359-L1363 WeakPolarHBondContact O-CB 3.38Å; I1359-L1371 HydrophobicContact CG2-CD1 3.88Å; I1359-L1371 HydrophobicContact CG2-CD2 3.6Å; I1359-L1371 HydrophobicContact CG2-CG 4.42Å; I1359-I1407 HydrophobicContact CB-CD1 4.28Å; I1359-I1407 HydrophobicContact CB-CG1 4.44Å; I1359-I1407 HydrophobicContact CB-CG2 4.42Å; I1359-I1407 HydrophobicContact CD1-CD1 4.06Å; I1359-I1407 HydrophobicContact CG2-CD1 4.22Å; I1359-I1407 HydrophobicContact CG2-CG1 4.38Å; I1359-I1407 HydrophobicContact CG2-CG2 3.65Å |
| 1360 | G | 89.6 | Confident | 90.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62 | -45.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K1356 E1357 S1410 K1414 | K1356-G1360 WeakPolarHBondContact O-CA 3.48Å; K1356-G1360 PolarHBondContact O-N 3.07Å; E1357-G1360 PolarHBondContact O-N 2.93Å; G1360-S1410 VanDerWaalsContact C-OG 3.28Å; G1360-S1410 VanDerWaalsContact CA-OG 3.27Å; G1360-S1410 WeakPolarHBondContact CA-OG 3.42Å; G1360-S1410 PolarHBondContact O-OG 3.12Å; G1360-K1414 WeakPolarHBondContact O-CE 3.41Å; G1360-K1414 PolarHBondContact O-NZ 3.21Å |
| 1361 | N | 88.2 | Confident | 90.4 | Very high | 67.6 Ų | 67.6 | 20.3 Ų | 20.3 | 36% | 0.361 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -101.7 | -41.4 | -170.9 | -61.5 | -63.4 | 0 | 0 | 0 | 114.5 | R1029 E1357 I1359 S1410 K1414 | R1029-N1361 PolarHBondContact NH1-O 3.12Å; R1029-N1361 VanDerWaalsContact NH1-O 3.08Å; E1357-N1361 WeakPolarHBondContact O-CA 3.34Å; E1357-N1361 VanDerWaalsContact O-CB 3.23Å; E1357-N1361 WeakPolarHBondContact O-CB 3.39Å; E1357-N1361 PolarHBondContact O-N 3.27Å; E1357-N1361 PolarHBondContact O-ND2 3.14Å; I1359-N1361 PolarHBondContact O-N 2.88Å; N1361-S1410 PolarHBondContact OD1-OG 2.83Å; N1361-K1414 VanDerWaalsContact C-NZ 3.32Å; N1361-K1414 WeakPolarHBondContact O-CE 3.29Å; N1361-K1414 PolarHBondContact O-NZ 3.16Å |
| 1362 | E | 88.9 | Confident | 90.4 | Very high | 26.8 Ų | 26.8 | 20.5 Ų | 20.5 | 13% | 0.125 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -108.2 | -7.6 | -162.1 | -54.5 | -137.8 | 154.7 | 0 | 0 | 114.6 | L1025 R1029 G1200 C1203 A1204 S1358 N1364 | L1025-E1362 HydrophobicContact CB-CG 4.4Å; L1025-E1362 WeakPolarHBondContact CB-OE2 3.43Å; L1025-E1362 HydrophobicContact CD1-CB 4.26Å; L1025-E1362 VanDerWaalsContact CD1-CD 3.44Å; L1025-E1362 HydrophobicContact CD1-CG 3.97Å; L1025-E1362 WeakPolarHBondContact CD1-OE1 3.38Å; R1029-E1362 VanDerWaalsContact CD-O 3.28Å; R1029-E1362 WeakPolarHBondContact CD-O 3.36Å; R1029-E1362 WeakPolarHBondContact CG-O 3.44Å; R1029-E1362 IonicContact CZ-OE2 3.17Å; R1029-E1362 IonicContact NE-OE2 3.13Å; R1029-E1362 PolarHBondContact NE-OE2 3.27Å; R1029-E1362 IonicContact NH2-OE1 2.74Å; R1029-E1362 IonicContact NH2-OE2 2.76Å; R1029-E1362 PolarHBondContact NH2-OE2 3.21Å; G1200-E1362 VanDerWaalsContact CA-OE2 3.3Å; G1200-E1362 WeakPolarHBondContact CA-OE2 3.39Å; C1203-E1362 CarbonylContact C-O 3.47Å; C1203-E1362 HydrophobicContact CB-CB 4.46Å; A1204-E1362 VanDerWaalsContact CA-O 3.27Å; A1204-E1362 WeakPolarHBondContact CA-O 3.39Å; A1204-E1362 PolarHBondContact N-O 3.33Å; S1358-E1362 VanDerWaalsContact CB-OE2 3.31Å; S1358-E1362 WeakPolarHBondContact CB-OE2 3.22Å; S1358-E1362 CarbonylContact O-C 3.44Å; S1358-E1362 WeakPolarHBondContact O-CA 3.28Å; S1358-E1362 WeakPolarHBondContact O-CB 3.35Å; S1358-E1362 PolarHBondContact O-N 3.41Å; S1358-E1362 PolarHBondContact OG-OE2 3.12Å; E1362-N1364 PolarHBondContact O-N 3.02Å |
| 1363 | L | 91 | Very high | 90.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -65.8 | 135.7 | 176.7 | -170.6 | 69.2 | 0 | 0 | 0 | 112.6 | R1029 C1203 I1333 S1358 I1359 I1367 Y1368 L1371 | R1029-L1363 WeakPolarHBondContact CD-O 3.47Å; C1203-L1363 HydrophobicContact CB-CB 4.47Å; C1203-L1363 HydrophobicContact CB-CD1 4.14Å; C1203-L1363 WeakPolarHBondContact O-CA 3.36Å; I1333-L1363 HydrophobicContact CD1-CD1 3.91Å; S1358-L1363 PolarHBondContact O-N 2.98Å; S1358-L1363 VanDerWaalsContact O-N 3.12Å; I1359-L1363 HydrophobicContact CG2-CD2 4.27Å; I1359-L1363 VanDerWaalsContact O-CB 3.26Å; I1359-L1363 WeakPolarHBondContact O-CB 3.38Å; L1363-I1367 HydrophobicContact CD1-CB 4.11Å; L1363-I1367 HydrophobicContact CD1-CD1 3.63Å; L1363-I1367 HydrophobicContact CD1-CG1 4.48Å; L1363-I1367 HydrophobicContact CD1-CG2 4.1Å; L1363-I1367 HydrophobicContact CD2-CB 4.34Å; L1363-I1367 HydrophobicContact CD2-CG2 4.37Å; L1363-I1367 HydrophobicContact CG-CB 4.2Å; L1363-I1367 HydrophobicContact CG-CD1 4.33Å; L1363-Y1368 HydrophobicContact CB-CE1 4.19Å; L1363-Y1368 HydrophobicContact CD2-CD1 3.92Å; L1363-Y1368 HydrophobicContact CD2-CE1 4.05Å; L1363-Y1368 HydrophobicContact CG-CD1 4.39Å; L1363-Y1368 HydrophobicContact CG-CE1 4.19Å; L1363-Y1368 PolarHBondContact O-OH 3.13Å; L1363-L1371 HydrophobicContact CD2-CB 4.3Å; L1363-L1371 HydrophobicContact CD2-CD2 3.75Å; L1363-L1371 HydrophobicContact CD2-CG 4.46Å |
| 1364 | N | 88.9 | Confident | 90.2 | Very high | 1.4 Ų | 1.4 | 19.9 Ų | 19.9 | 1% | 0.007 | 10% | 0.1 | C | C | . | . | trans | -64.5 | 130.9 | 173.6 | -169.6 | -59.6 | 0 | 0 | 0 | 111.5 | R1029 N1032 C1203 A1204 S1207 E1362 L1366 I1367 | R1029-N1364 PolarHBondContact O-ND2 3.02Å; R1029-N1364 VanDerWaalsContact O-ND2 3.13Å; N1032-N1364 PolarHBondContact OD1-ND2 3.19Å; C1203-N1364 PolarHBondContact O-N 3.06Å; A1204-N1364 PolarHBondContact O-ND2 2.91Å; S1207-N1364 WeakPolarHBondContact CB-ND2 3.46Å; S1207-N1364 PolarHBondContact OG-ND2 3.13Å; S1207-N1364 VanDerWaalsContact OG-ND2 3.14Å; E1362-N1364 PolarHBondContact O-N 3.02Å; N1364-L1366 PolarHBondContact O-N 3.12Å; N1364-L1366 VanDerWaalsContact O-N 3.13Å; N1364-L1366 WeakPolarHBondContact OD1-CB 3.34Å; N1364-L1366 PolarHBondContact OD1-N 3.33Å; N1364-I1367 HydrophobicContact CB-CD1 3.85Å; N1364-I1367 HydrophobicContact CB-CG1 4.27Å; N1364-I1367 WeakPolarHBondContact O-CB 3.17Å; N1364-I1367 PolarHBondContact O-N 3.33Å | ||
| 1365 | P | 84.8 | Confident | 90.2 | Very high | 14.2 Ų | 14.2 | 17.7 Ų | 17.7 | 9% | 0.092 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -55.2 | -29.5 | -179.1 | -29.8 | 38.1 | 0 | 0 | 0 | 116 | I1367 Y1368 L1422 | P1365-I1367 PolarHBondContact O-N 3.21Å; P1365-I1367 VanDerWaalsContact O-N 3.1Å; P1365-Y1368 HydrophobicContact CB-CD2 4.15Å; P1365-Y1368 HydrophobicContact CB-CE2 3.98Å; P1365-Y1368 HydrophobicContact CB-CG 4.46Å; P1365-Y1368 HydrophobicContact CG-CE2 4.18Å; P1365-Y1368 WeakPolarHBondContact O-CB 3.41Å; P1365-Y1368 PolarHBondContact O-N 3.1Å; P1365-Y1368 VanDerWaalsContact O-N 3.1Å; P1365-L1422 HydrophobicContact CB-CD1 4.13Å; P1365-L1422 HydrophobicContact CB-CD2 4.03Å; P1365-L1422 HydrophobicContact CB-CG 4.18Å; P1365-L1422 HydrophobicContact CG-CD1 3.81Å; P1365-L1422 HydrophobicContact CG-CD2 3.73Å; P1365-L1422 HydrophobicContact CG-CG 4.05Å |
| 1366 | L | 84.6 | Confident | 90.1 | Very high | 32 Ų | 32 | 21 Ų | 21 | 17% | 0.168 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -62.3 | -17.2 | 176.4 | -72 | 167 | 0 | 0 | 0 | 113.5 | N1032 L1210 I1212 N1364 H1425 | N1032-L1366 HydrophobicContact CB-CD1 4Å; N1032-L1366 WeakPolarHBondContact OD1-CD1 3.38Å; L1210-L1366 HydrophobicContact CD1-CB 4.27Å; I1212-L1366 HydrophobicContact CD1-CD1 4.24Å; I1212-L1366 HydrophobicContact CD1-CD2 4.2Å; N1364-L1366 PolarHBondContact O-N 3.12Å; N1364-L1366 VanDerWaalsContact O-N 3.13Å; N1364-L1366 WeakPolarHBondContact OD1-CB 3.34Å; N1364-L1366 PolarHBondContact OD1-N 3.33Å; L1366-H1425 VanDerWaalsContact CD2-NE2 3.33Å; L1366-H1425 WeakPolarHBondContact CD2-NE2 3.37Å |
| 1367 | I | 88.9 | Confident | 89.9 | Confident | 0.4 Ų | 0.4 | 23.5 Ų | 23.5 | 0% | 0.002 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -92.6 | -12.9 | -179.4 | -49.8 | 165.2 | 0 | 0 | 0 | 111.2 | L1210 V1329 I1333 L1363 N1364 P1365 P1369 I1370 L1371 | L1210-I1367 HydrophobicContact CD1-CG1 4.19Å; V1329-I1367 HydrophobicContact CG1-CD1 4.39Å; V1329-I1367 HydrophobicContact CG1-CG1 4.42Å; V1329-I1367 HydrophobicContact CG1-CG2 4.07Å; I1333-I1367 HydrophobicContact CD1-CG2 3.98Å; I1333-I1367 HydrophobicContact CG1-CG2 3.89Å; L1363-I1367 HydrophobicContact CD1-CB 4.11Å; L1363-I1367 HydrophobicContact CD1-CD1 3.63Å; L1363-I1367 HydrophobicContact CD1-CG1 4.48Å; L1363-I1367 HydrophobicContact CD1-CG2 4.1Å; L1363-I1367 HydrophobicContact CD2-CB 4.34Å; L1363-I1367 HydrophobicContact CD2-CG2 4.37Å; L1363-I1367 HydrophobicContact CG-CB 4.2Å; L1363-I1367 HydrophobicContact CG-CD1 4.33Å; N1364-I1367 HydrophobicContact CB-CD1 3.85Å; N1364-I1367 HydrophobicContact CB-CG1 4.27Å; N1364-I1367 WeakPolarHBondContact O-CB 3.17Å; N1364-I1367 PolarHBondContact O-N 3.33Å; P1365-I1367 PolarHBondContact O-N 3.21Å; P1365-I1367 VanDerWaalsContact O-N 3.1Å; I1367-P1369 VanDerWaalsContact C-CD 3.45Å; I1367-P1369 VanDerWaalsContact C-N 3.34Å; I1367-I1370 HydrophobicContact CG2-CB 4.44Å; I1367-I1370 WeakPolarHBondContact O-CB 3.42Å; I1367-I1370 PolarHBondContact O-N 3.13Å; I1367-L1371 PolarHBondContact O-N 3.12Å |
| 1368 | Y | 89.2 | Confident | 89.8 | Confident | 3.4 Ų | 3.4 | 23.7 Ų | 23.7 | 1% | 0.013 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -55.2 | -40.1 | -177.3 | -66.2 | -6.9 | 0 | 0 | 0 | 113.6 | L1363 P1365 I1370 L1371 F1372 I1411 K1414 L1422 L1426 | L1363-Y1368 HydrophobicContact CB-CE1 4.19Å; L1363-Y1368 HydrophobicContact CD2-CD1 3.92Å; L1363-Y1368 HydrophobicContact CD2-CE1 4.05Å; L1363-Y1368 HydrophobicContact CG-CD1 4.39Å; L1363-Y1368 HydrophobicContact CG-CE1 4.19Å; L1363-Y1368 PolarHBondContact O-OH 3.13Å; P1365-Y1368 HydrophobicContact CB-CD2 4.15Å; P1365-Y1368 HydrophobicContact CB-CE2 3.98Å; P1365-Y1368 HydrophobicContact CB-CG 4.46Å; P1365-Y1368 HydrophobicContact CG-CE2 4.18Å; P1365-Y1368 WeakPolarHBondContact O-CB 3.41Å; P1365-Y1368 PolarHBondContact O-N 3.1Å; P1365-Y1368 VanDerWaalsContact O-N 3.1Å; Y1368-I1370 VanDerWaalsContact C-N 3.32Å; Y1368-I1370 PolarHBondContact O-N 3.29Å; Y1368-L1371 PolarHBondContact O-N 3.16Å; Y1368-F1372 VanDerWaalsContact O-CD2 3.25Å; Y1368-F1372 WeakPolarHBondContact O-CD2 3.43Å; Y1368-F1372 PolarHBondContact O-N 3.26Å; Y1368-I1411 HydrophobicContact CD2-CG2 4.26Å; Y1368-I1411 HydrophobicContact CE1-CD1 4.4Å; Y1368-I1411 HydrophobicContact CE1-CG1 4.43Å; Y1368-I1411 HydrophobicContact CE1-CG2 4.5Å; Y1368-I1411 HydrophobicContact CE2-CG2 3.85Å; Y1368-K1414 PolarHBondContact OH-NZ 2.89Å; Y1368-K1414 VanDerWaalsContact OH-NZ 3.16Å; Y1368-L1422 HydrophobicContact CE2-CD1 4.1Å; Y1368-L1422 HydrophobicContact CE2-CD2 3.92Å; Y1368-L1422 HydrophobicContact CE2-CG 4.42Å; Y1368-L1426 HydrophobicContact CD2-CD1 4.02Å; Y1368-L1426 HydrophobicContact CD2-CD2 4.21Å; Y1368-L1426 HydrophobicContact CD2-CG 4.44Å; Y1368-L1426 HydrophobicContact CE2-CD1 4.05Å |
| 1369 | P | 87.6 | Confident | 89.7 | Confident | 14.8 Ų | 14.8 | 23.6 Ų | 23.6 | 10% | 0.096 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.6 | -38.2 | 175 | -26.7 | 36.7 | 0 | 0 | 0 | 114.1 | V1316 L1320 I1367 N1373 L1428 V1429 | V1316-P1369 HydrophobicContact CG1-CB 4.22Å; V1316-P1369 HydrophobicContact CG1-CG 4.34Å; L1320-P1369 HydrophobicContact CD1-CB 4.12Å; I1367-P1369 VanDerWaalsContact C-CD 3.45Å; I1367-P1369 VanDerWaalsContact C-N 3.34Å; P1369-N1373 VanDerWaalsContact O-CB 3.27Å; P1369-N1373 WeakPolarHBondContact O-CB 3.4Å; P1369-N1373 PolarHBondContact O-N 3.02Å; P1369-L1428 HydrophobicContact CB-CB 4.37Å; P1369-L1428 HydrophobicContact CB-CD1 4.3Å; P1369-L1428 HydrophobicContact CG-CB 4.21Å; P1369-L1428 HydrophobicContact CG-CD1 4.05Å; P1369-L1428 HydrophobicContact CG-CG 4.5Å; P1369-V1429 HydrophobicContact CB-CG2 4Å; P1369-V1429 HydrophobicContact CG-CG2 4.36Å |
| 1370 | I | 89.4 | Confident | 89.5 | Confident | 14.6 Ų | 14.6 | 26 Ų | 26 | 8% | 0.075 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.5 | -45.3 | 177.1 | -60.4 | 172.8 | 0 | 0 | 0 | 109.9 | L1210 L1320 A1330 I1367 Y1368 N1373 Q1374 | L1210-I1370 HydrophobicContact CD1-CD1 4.4Å; L1210-I1370 HydrophobicContact CD2-CD1 3.56Å; L1210-I1370 VanDerWaalsContact CD2-CD1 3.48Å; L1320-I1370 HydrophobicContact CD2-CD1 4Å; L1320-I1370 HydrophobicContact CD2-CG1 3.92Å; A1330-I1370 HydrophobicContact CB-CG2 4.22Å; I1367-I1370 HydrophobicContact CG2-CB 4.44Å; I1367-I1370 WeakPolarHBondContact O-CB 3.42Å; I1367-I1370 PolarHBondContact O-N 3.13Å; Y1368-I1370 VanDerWaalsContact C-N 3.32Å; Y1368-I1370 PolarHBondContact O-N 3.29Å; I1370-N1373 PolarHBondContact O-N 3.27Å; I1370-Q1374 WeakPolarHBondContact O-CG 3.41Å; I1370-Q1374 PolarHBondContact O-N 2.99Å |
| 1371 | L | 92.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.7 | -53.9 | 177.7 | 176.4 | 69.4 | 0 | 0 | 0 | 111.5 | I1333 L1337 I1359 L1363 I1367 Y1368 N1373 Q1374 L1375 I1407 I1411 | I1333-L1371 HydrophobicContact CG2-CB 4.45Å; I1333-L1371 HydrophobicContact CG2-CD1 3.76Å; L1337-L1371 HydrophobicContact CD2-CD1 4.18Å; I1359-L1371 HydrophobicContact CG2-CD1 3.88Å; I1359-L1371 HydrophobicContact CG2-CD2 3.6Å; I1359-L1371 HydrophobicContact CG2-CG 4.42Å; L1363-L1371 HydrophobicContact CD2-CB 4.3Å; L1363-L1371 HydrophobicContact CD2-CD2 3.75Å; L1363-L1371 HydrophobicContact CD2-CG 4.46Å; I1367-L1371 PolarHBondContact O-N 3.12Å; Y1368-L1371 PolarHBondContact O-N 3.16Å; L1371-N1373 VanDerWaalsContact C-N 3.31Å; L1371-N1373 PolarHBondContact O-N 3.05Å; L1371-Q1374 PolarHBondContact O-N 3.2Å; L1371-L1375 HydrophobicContact CD1-CD1 4.03Å; L1371-L1375 HydrophobicContact CD1-CG 4.05Å; L1371-L1375 HydrophobicContact CD2-CD1 4.33Å; L1371-L1375 HydrophobicContact CG-CD1 3.82Å; L1371-L1375 HydrophobicContact CG-CG 4.21Å; L1371-L1375 VanDerWaalsContact O-CB 3.3Å; L1371-L1375 WeakPolarHBondContact O-CB 3.41Å; L1371-L1375 VanDerWaalsContact O-CG 3.28Å; L1371-L1375 WeakPolarHBondContact O-CG 3.36Å; L1371-L1375 PolarHBondContact O-N 3.05Å; L1371-I1407 HydrophobicContact CD2-CG2 4.36Å; L1371-I1411 HydrophobicContact CD2-CD1 3.66Å |
| 1372 | F | 92 | Very high | 89.3 | Confident | 6.2 Ų | 6.2 | 26.4 Ų | 26.4 | 3% | 0.027 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66 | -32.5 | -176.8 | -77.1 | -67.7 | 0 | 0 | 0 | 112.8 | Y1368 L1375 R1376 M1408 I1411 L1426 V1429 I1431 L1434 | Y1368-F1372 VanDerWaalsContact O-CD2 3.25Å; Y1368-F1372 WeakPolarHBondContact O-CD2 3.43Å; Y1368-F1372 PolarHBondContact O-N 3.26Å; F1372-L1375 HydrophobicContact CD1-CD1 4.39Å; F1372-R1376 VanDerWaalsContact O-CB 3.31Å; F1372-R1376 WeakPolarHBondContact O-CB 3.39Å; F1372-R1376 PolarHBondContact O-N 3.21Å; F1372-M1408 HydrophobicContact CE1-CE 4.44Å; F1372-M1408 HydrophobicContact CE1-CG 4.22Å; F1372-I1411 HydrophobicContact CZ-CD1 4.4Å; F1372-I1411 HydrophobicContact CZ-CG2 4.35Å; F1372-L1426 HydrophobicContact CD2-CD1 4.38Å; F1372-L1426 HydrophobicContact CE2-CD1 3.58Å; F1372-L1426 HydrophobicContact CE2-CD2 3.88Å; F1372-L1426 HydrophobicContact CZ-CD1 4.19Å; F1372-L1426 HydrophobicContact CZ-CD2 4.45Å; F1372-V1429 HydrophobicContact CB-CB 4.4Å; F1372-V1429 HydrophobicContact CB-CG1 3.69Å; F1372-V1429 VanDerWaalsContact CB-CG1 3.43Å; F1372-V1429 HydrophobicContact CB-CG2 4.34Å; F1372-V1429 HydrophobicContact CD1-CG1 4.42Å; F1372-V1429 HydrophobicContact CD2-CG1 4.01Å; F1372-V1429 HydrophobicContact CD2-CG2 4.22Å; F1372-V1429 HydrophobicContact CG-CG1 4.07Å; F1372-I1431 HydrophobicContact CD1-CD1 4.49Å; F1372-I1431 HydrophobicContact CE1-CD1 4.33Å; F1372-I1431 HydrophobicContact CE2-CD1 4.31Å; F1372-I1431 HydrophobicContact CZ-CD1 4.26Å; F1372-L1434 HydrophobicContact CD1-CD2 4.01Å; F1372-L1434 HydrophobicContact CE1-CD2 4.5Å |
| 1373 | N | 89.5 | Confident | 89.2 | Confident | 56.4 Ų | 56.4 | 26.7 Ų | 26.7 | 30% | 0.302 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -66.9 | -45.5 | 174 | -166.4 | 39.6 | 0 | 0 | 0 | 111.7 | L1320 N1321 P1369 I1370 L1371 R1376 N1377 | L1320-N1373 HydrophobicContact CD2-CB 4.36Å; N1321-N1373 PolarHBondContact OD1-ND2 3.21Å; P1369-N1373 VanDerWaalsContact O-CB 3.27Å; P1369-N1373 WeakPolarHBondContact O-CB 3.4Å; P1369-N1373 PolarHBondContact O-N 3.02Å; I1370-N1373 PolarHBondContact O-N 3.27Å; L1371-N1373 VanDerWaalsContact C-N 3.31Å; L1371-N1373 PolarHBondContact O-N 3.05Å; N1373-R1376 PolarHBondContact O-N 3.11Å; N1373-N1377 VanDerWaalsContact O-CG 3.22Å; N1373-N1377 PolarHBondContact O-N 3.11Å; N1373-N1377 PolarHBondContact O-ND2 3.02Å; N1373-N1377 PolarHBondContact O-OD1 3.12Å |
| 1374 | Q | 91 | Very high | 88.1 | Confident | 30 Ų | 30 | 29.4 Ų | 29.4 | 14% | 0.14 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.2 | -41.3 | 175.8 | -69.6 | -173.2 | -5.4 | 0 | 0 | 112.4 | A1330 I1333 G1334 L1337 I1370 L1371 R1376 N1377 H1378 | A1330-Q1374 PolarHBondContact O-NE2 2.96Å; I1333-Q1374 VanDerWaalsContact CG2-OE1 3.29Å; G1334-Q1374 VanDerWaalsContact N-OE1 3.09Å; L1337-Q1374 HydrophobicContact CD1-CB 3.68Å; I1370-Q1374 WeakPolarHBondContact O-CG 3.41Å; I1370-Q1374 PolarHBondContact O-N 2.99Å; L1371-Q1374 PolarHBondContact O-N 3.2Å; Q1374-R1376 VanDerWaalsContact C-N 3.33Å; Q1374-R1376 PolarHBondContact O-N 3.29Å; Q1374-N1377 PolarHBondContact O-N 3.09Å; Q1374-N1377 VanDerWaalsContact O-N 3.14Å; Q1374-H1378 PolarHBondContact O-CD2 3.08Å; Q1374-H1378 VanDerWaalsContact O-CD2 3.23Å; Q1374-H1378 PolarHBondContact O-N 3.13Å; Q1374-H1378 PolarHBondContact O-ND1 3.4Å |
| 1375 | L | 93.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.3 | -45.2 | 173.7 | -77.4 | 178.7 | 0 | 0 | 0 | 111.6 | L1337 L1371 F1372 N1377 H1378 V1379 F1400 V1404 L1434 | L1337-L1375 HydrophobicContact CD1-CD2 4.15Å; L1337-L1375 HydrophobicContact CD1-CG 4.45Å; L1337-L1375 HydrophobicContact CD2-CD2 3.54Å; L1337-L1375 HydrophobicContact CD2-CG 4.33Å; L1337-L1375 HydrophobicContact CG-CD2 4.48Å; L1371-L1375 HydrophobicContact CD1-CD1 4.03Å; L1371-L1375 HydrophobicContact CD1-CG 4.05Å; L1371-L1375 HydrophobicContact CD2-CD1 4.33Å; L1371-L1375 HydrophobicContact CG-CD1 3.82Å; L1371-L1375 HydrophobicContact CG-CG 4.21Å; L1371-L1375 VanDerWaalsContact O-CB 3.3Å; L1371-L1375 WeakPolarHBondContact O-CB 3.41Å; L1371-L1375 VanDerWaalsContact O-CG 3.28Å; L1371-L1375 WeakPolarHBondContact O-CG 3.36Å; L1371-L1375 PolarHBondContact O-N 3.05Å; F1372-L1375 HydrophobicContact CD1-CD1 4.39Å; L1375-N1377 PolarHBondContact O-N 3.16Å; L1375-H1378 PolarHBondContact O-N 3.19Å; L1375-V1379 WeakPolarHBondContact O-CB 3.38Å; L1375-V1379 WeakPolarHBondContact O-CG2 3.35Å; L1375-V1379 PolarHBondContact O-N 3.14Å; L1375-F1400 HydrophobicContact CD2-CZ 4.26Å; L1375-V1404 HydrophobicContact CD1-CG1 4.49Å; L1375-V1404 HydrophobicContact CD2-CB 4.46Å; L1375-V1404 HydrophobicContact CD2-CG1 4.18Å; L1375-V1404 HydrophobicContact CD2-CG2 3.61Å; L1375-L1434 HydrophobicContact CB-CD2 4.24Å |
| 1376 | R | 91.5 | Very high | 84.7 | Confident | 69.6 Ų | 69.6 | 41.6 Ų | 41.6 | 26% | 0.263 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.2 | -53.9 | 172.8 | -177.1 | -173.8 | -107.6 | -171.5 | -0.9 | 110.7 | F1372 N1373 Q1374 H1378 V1379 D1380 S1430 S1433 | F1372-R1376 VanDerWaalsContact O-CB 3.31Å; F1372-R1376 WeakPolarHBondContact O-CB 3.39Å; F1372-R1376 PolarHBondContact O-N 3.21Å; N1373-R1376 PolarHBondContact O-N 3.11Å; Q1374-R1376 VanDerWaalsContact C-N 3.33Å; Q1374-R1376 PolarHBondContact O-N 3.29Å; R1376-H1378 VanDerWaalsContact C-N 3.27Å; R1376-H1378 PolarHBondContact O-N 3.09Å; R1376-V1379 PolarHBondContact O-N 2.87Å; R1376-V1379 VanDerWaalsContact O-N 3.11Å; R1376-D1380 WeakPolarHBondContact CG-OD1 3.47Å; R1376-D1380 WeakPolarHBondContact CG-OD2 3.4Å; R1376-D1380 IonicContact CZ-OD2 3.15Å; R1376-D1380 IonicContact NE-OD2 3.31Å; R1376-D1380 PolarHBondContact NE-OD2 3.13Å; R1376-D1380 VanDerWaalsContact NE-OD2 3.13Å; R1376-D1380 IonicContact NH2-OD2 3.55Å; R1376-D1380 PolarHBondContact NH2-OD2 2.92Å; R1376-D1380 VanDerWaalsContact O-CB 3.31Å; R1376-D1380 WeakPolarHBondContact O-CB 3.33Å; R1376-D1380 PolarHBondContact O-N 3.16Å; R1376-S1430 PolarHBondContact NH2-O 3.16Å; R1376-S1430 PolarHBondContact NH2-OG 3.31Å; R1376-S1433 PolarHBondContact NE-OG 3.43Å; R1376-S1433 PolarHBondContact NH2-OG 3.13Å |
| 1377 | N | 89.6 | Confident | 83 | Confident | 88 Ų | 88 | 43.6 Ų | 43.6 | 47% | 0.471 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.9 | -36.8 | -177 | -64.5 | -13.6 | 0 | 0 | 0 | 113 | N1373 Q1374 L1375 A1381 | N1373-N1377 VanDerWaalsContact O-CG 3.22Å; N1373-N1377 PolarHBondContact O-N 3.11Å; N1373-N1377 PolarHBondContact O-ND2 3.02Å; N1373-N1377 PolarHBondContact O-OD1 3.12Å; Q1374-N1377 PolarHBondContact O-N 3.09Å; Q1374-N1377 VanDerWaalsContact O-N 3.14Å; L1375-N1377 PolarHBondContact O-N 3.16Å; N1377-A1381 WeakPolarHBondContact O-CB 3.39Å; N1377-A1381 PolarHBondContact O-N 3.14Å; N1377-A1381 VanDerWaalsContact O-N 3.1Å |
| 1378 | H | 89.1 | Confident | 81.2 | Confident | 69 Ų | 69 | 50.9 Ų | 50.9 | 32% | 0.319 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -73.1 | -37.4 | 175.2 | -77.1 | -65 | 0 | 0 | 0 | 113.5 | Q1374 L1375 R1376 A1381 C1382 F1400 | Q1374-H1378 PolarHBondContact O-CD2 3.08Å; Q1374-H1378 VanDerWaalsContact O-CD2 3.23Å; Q1374-H1378 PolarHBondContact O-N 3.13Å; Q1374-H1378 PolarHBondContact O-ND1 3.4Å; L1375-H1378 PolarHBondContact O-N 3.19Å; R1376-H1378 VanDerWaalsContact C-N 3.27Å; R1376-H1378 PolarHBondContact O-N 3.09Å; H1378-A1381 PolarHBondContact O-N 3.23Å; H1378-C1382 PolarHBondContact O-SG 3.38Å; H1378-C1382 VanDerWaalsContact O-SG 3.4Å; H1378-F1400 HydrophobicContact CB-CE1 3.64Å; H1378-F1400 HydrophobicContact CB-CE2 4.3Å; H1378-F1400 HydrophobicContact CB-CZ 3.46Å; H1378-F1400 AromaticContact CG-CZ 4Å |
| 1379 | V | 91.2 | Very high | 79.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70.3 | -39.5 | 174.5 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | L1375 R1376 A1381 C1382 F1383 F1400 I1401 L1434 N1437 I1438 | L1375-V1379 WeakPolarHBondContact O-CB 3.38Å; L1375-V1379 WeakPolarHBondContact O-CG2 3.35Å; L1375-V1379 PolarHBondContact O-N 3.14Å; R1376-V1379 PolarHBondContact O-N 2.87Å; R1376-V1379 VanDerWaalsContact O-N 3.11Å; V1379-A1381 VanDerWaalsContact C-N 3.27Å; V1379-A1381 PolarHBondContact O-N 3.29Å; V1379-C1382 VanDerWaalsContact O-CB 3.25Å; V1379-C1382 WeakPolarHBondContact O-CB 3.36Å; V1379-C1382 PolarHBondContact O-N 3.06Å; V1379-F1383 HydrophobicContact CG1-CE2 4.45Å; V1379-F1383 VanDerWaalsContact O-CD2 3.31Å; V1379-F1383 WeakPolarHBondContact O-CD2 3.43Å; V1379-F1383 WeakPolarHBondContact O-CE2 3.38Å; V1379-F1400 HydrophobicContact CG2-CD1 4.47Å; V1379-F1400 HydrophobicContact CG2-CE1 3.92Å; V1379-I1401 HydrophobicContact CB-CD1 4.43Å; V1379-I1401 HydrophobicContact CG1-CD1 3.99Å; V1379-I1401 HydrophobicContact CG2-CD1 3.76Å; V1379-L1434 HydrophobicContact CB-CD1 3.88Å; V1379-L1434 HydrophobicContact CG1-CD1 4.17Å; V1379-L1434 HydrophobicContact CG2-CD1 3.67Å; V1379-N1437 HydrophobicContact CG1-CB 3.71Å; V1379-I1438 HydrophobicContact CG1-CG1 4.35Å |
| 1380 | D | 89.6 | Confident | 79.2 | Confident | 51 Ų | 51 | 64 Ų | 64 | 27% | 0.273 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.2 | -32.6 | 176.7 | -67.4 | 10 | 0 | 0 | 0 | 110.5 | R1376 C1382 F1383 N1437 | R1376-D1380 WeakPolarHBondContact CG-OD1 3.47Å; R1376-D1380 WeakPolarHBondContact CG-OD2 3.4Å; R1376-D1380 IonicContact CZ-OD2 3.15Å; R1376-D1380 IonicContact NE-OD2 3.31Å; R1376-D1380 PolarHBondContact NE-OD2 3.13Å; R1376-D1380 VanDerWaalsContact NE-OD2 3.13Å; R1376-D1380 IonicContact NH2-OD2 3.55Å; R1376-D1380 PolarHBondContact NH2-OD2 2.92Å; R1376-D1380 VanDerWaalsContact O-CB 3.31Å; R1376-D1380 WeakPolarHBondContact O-CB 3.33Å; R1376-D1380 PolarHBondContact O-N 3.16Å; D1380-C1382 VanDerWaalsContact C-N 3.28Å; D1380-C1382 PolarHBondContact O-N 3.24Å; D1380-F1383 PolarHBondContact O-N 3.07Å; D1380-F1383 VanDerWaalsContact O-N 3.1Å; D1380-N1437 VanDerWaalsContact CG-ND2 3.33Å; D1380-N1437 PolarHBondContact OD1-ND2 3.2Å |
| 1381 | A | 87.5 | Confident | 78.9 | Confident | 72 Ų | 72 | 64.4 Ų | 64.4 | 60% | 0.595 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -9.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N1377 H1378 V1379 F1383 | N1377-A1381 WeakPolarHBondContact O-CB 3.39Å; N1377-A1381 PolarHBondContact O-N 3.14Å; N1377-A1381 VanDerWaalsContact O-N 3.1Å; H1378-A1381 PolarHBondContact O-N 3.23Å; V1379-A1381 VanDerWaalsContact C-N 3.27Å; V1379-A1381 PolarHBondContact O-N 3.29Å; A1381-F1383 PolarHBondContact O-N 3.15Å |
| 1382 | C | 86.3 | Confident | 78.6 | Confident | 3.8 Ų | 3.8 | 66.8 Ų | 66.8 | 3% | 0.026 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 1 | 170 | -59.9 | 0 | 0 | 0 | 0 | 113.2 | H1378 V1379 D1380 V1392 Y1441 | H1378-C1382 PolarHBondContact O-SG 3.38Å; H1378-C1382 VanDerWaalsContact O-SG 3.4Å; V1379-C1382 VanDerWaalsContact O-CB 3.25Å; V1379-C1382 WeakPolarHBondContact O-CB 3.36Å; V1379-C1382 PolarHBondContact O-N 3.06Å; D1380-C1382 VanDerWaalsContact C-N 3.28Å; D1380-C1382 PolarHBondContact O-N 3.24Å; C1382-V1392 WeakPolarHBondContact O-CB 3.46Å; C1382-V1392 PolarHBondContact O-N 3.13Å; C1382-Y1441 HydrophobicContact CB-CD2 4.09Å; C1382-Y1441 HydrophobicContact CB-CE2 4.18Å |
| 1383 | F | 86.4 | Confident | 78.3 | Confident | 34 Ų | 34 | 69.8 Ų | 69.8 | 15% | 0.149 | 40% | 0.395 | C | S | . | . | B | Isolated β-bridge | trans | -118.6 | 117 | 178.2 | -58.6 | -97.4 | 0 | 0 | 0 | 109.2 | V1379 D1380 A1381 Q1389 Q1390 V1391 N1437 R1440 | V1379-F1383 HydrophobicContact CG1-CE2 4.45Å; V1379-F1383 VanDerWaalsContact O-CD2 3.31Å; V1379-F1383 WeakPolarHBondContact O-CD2 3.43Å; V1379-F1383 WeakPolarHBondContact O-CE2 3.38Å; D1380-F1383 PolarHBondContact O-N 3.07Å; D1380-F1383 VanDerWaalsContact O-N 3.1Å; A1381-F1383 PolarHBondContact O-N 3.15Å; F1383-Q1389 HydrophobicContact CD1-CB 4.47Å; F1383-Q1390 WeakPolarHBondContact CA-O 2.94Å; F1383-V1391 HydrophobicContact CD1-CG2 4.03Å; F1383-V1391 HydrophobicContact CE1-CG1 4.4Å; F1383-V1391 HydrophobicContact CE1-CG2 3.73Å; F1383-N1437 HydrophobicContact CE2-CB 3.88Å; F1383-N1437 HydrophobicContact CZ-CB 4.15Å; F1383-N1437 WeakPolarHBondContact CZ-O 3.3Å; F1383-R1440 HydrophobicContact CE1-CB 4.15Å; F1383-R1440 HydrophobicContact CZ-CB 4.21Å |
| 1384 | S | 68 | Low | 78.2 | Confident | 57.2 Ų | 57.2 | 69.8 Ų | 69.8 | 40% | 0.4 | 40% | 0.397 | S | S | . | . | trans | -90.6 | 135 | -179.6 | 60.7 | 0 | 0 | 0 | 0 | 111.7 | Q1386 Q1390 V1392 | S1384-Q1386 PolarHBondContact O-N 2.89Å; S1384-Q1390 PolarHBondContact N-O 2.93Å; S1384-Q1390 PolarHBondContact OG-O 3.27Å; S1384-V1392 WeakPolarHBondContact OG-CG2 3.39Å | ||
| 1385 | G | 58.6 | Low | 78.1 | Confident | 68.8 Ų | 68.8 | 75.5 Ų | 75.5 | 71% | 0.709 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -141.6 | 126.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115 | G1387 | G1385-G1387 PolarHBondContact O-N 3.37Š|
| 1386 | Q | 43 | Very low | 77.9 | Confident | 203 Ų | 203 | 78.1 Ų | 78.1 | 95% | 0.949 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -118 | 117.8 | 159.7 | -85.6 | -177.2 | -5.6 | 0 | 0 | 111.5 | S1384 Q1388 | S1384-Q1386 PolarHBondContact O-N 2.89Å; Q1386-Q1388 PolarHBondContact O-N 3.32Å; Q1386-Q1388 VanDerWaalsContact O-N 3.13Å |
| 1387 | G | 49.6 | Very low | 77.9 | Confident | 73.2 Ų | 73.2 | 76.4 Ų | 76.4 | 76% | 0.755 | 44% | 0.436 | S | S | * | . | S | Bend | trans | 100 | -34.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | G1385 Q1389 | G1385-G1387 PolarHBondContact O-N 3.37Å; G1387-Q1389 PolarHBondContact O-N 2.92Å |
| 1388 | Q | 50.2 | Low | 78 | Confident | 154 Ų | 154 | 73.1 Ų | 73.1 | 72% | 0.72 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -121.4 | 106.8 | -179.1 | -66.5 | -174.5 | -31.4 | 0 | 0 | 112.9 | Q1386 Q1390 V1575 | Q1386-Q1388 PolarHBondContact O-N 3.32Å; Q1386-Q1388 VanDerWaalsContact O-N 3.13Å; Q1388-Q1390 PolarHBondContact O-N 3.1Å; Q1388-V1575 HydrophobicContact CG-CG2 4.07Å; Q1388-V1575 VanDerWaalsContact NE2-CG2 3.3Å |
| 1389 | Q | 62.1 | Low | 78.1 | Confident | 152 Ų | 152 | 71.4 Ų | 71.4 | 71% | 0.71 | 41% | 0.412 | S | S | * | . | trans | -88.2 | 28.9 | -174.7 | -69 | 179.9 | -7.6 | 0 | 0 | 113.2 | F1383 G1387 V1391 | F1383-Q1389 HydrophobicContact CD1-CB 4.47Å; G1387-Q1389 PolarHBondContact O-N 2.92Å; Q1389-V1391 PolarHBondContact O-N 3.16Å | ||
| 1390 | Q | 72.4 | Confident | 78.2 | Confident | 142 Ų | 142 | 72 Ų | 72 | 66% | 0.664 | 42% | 0.415 | S | S | * | . | trans | -78.4 | 120 | 177.7 | -166 | 169.2 | 27.2 | 0 | 0 | 110.6 | F1383 S1384 Q1388 | F1383-Q1390 WeakPolarHBondContact CA-O 2.94Å; S1384-Q1390 PolarHBondContact N-O 2.93Å; S1384-Q1390 PolarHBondContact OG-O 3.27Å; Q1388-Q1390 PolarHBondContact O-N 3.1Å | ||
| 1391 | V | 83.3 | Confident | 78.3 | Confident | 21.2 Ų | 21.2 | 69.6 Ų | 69.6 | 13% | 0.128 | 40% | 0.402 | C | S | . | . | B | Isolated β-bridge | trans | -85.1 | 125.2 | -178.9 | -173.2 | 0 | 0 | 0 | 0 | 109.8 | F1383 Q1389 V1393 Y1441 H1444 | F1383-V1391 HydrophobicContact CD1-CG2 4.03Å; F1383-V1391 HydrophobicContact CE1-CG1 4.4Å; F1383-V1391 HydrophobicContact CE1-CG2 3.73Å; Q1389-V1391 PolarHBondContact O-N 3.16Å; V1391-V1393 VanDerWaalsContact C-N 3.33Å; V1391-V1393 HydrophobicContact CB-CG2 4.36Å; V1391-V1393 HydrophobicContact CG1-CG2 3.9Å; V1391-V1393 PolarHBondContact O-N 3.18Å; V1391-V1393 VanDerWaalsContact O-N 3.13Å; V1391-Y1441 HydrophobicContact CG1-CD2 3.39Å; V1391-Y1441 VanDerWaalsContact CG1-CD2 3.44Å; V1391-Y1441 HydrophobicContact CG1-CE2 3.81Å; V1391-Y1441 HydrophobicContact CG1-CG 4.13Å; V1391-H1444 HydrophobicContact CB-CB 4.38Å; V1391-H1444 HydrophobicContact CG2-CB 4.37Å; V1391-H1444 WeakPolarHBondContact CG2-ND1 3.42Å |
| 1392 | V | 85.6 | Confident | 78.6 | Confident | 50.4 Ų | 50.4 | 68 Ų | 68 | 31% | 0.305 | 38% | 0.382 | S | S | . | . | trans | -86.2 | 80.5 | 178.5 | -172.1 | 0 | 0 | 0 | 0 | 109 | C1382 S1384 T1394 N1397 | C1382-V1392 WeakPolarHBondContact O-CB 3.46Å; C1382-V1392 PolarHBondContact O-N 3.13Å; S1384-V1392 WeakPolarHBondContact OG-CG2 3.39Å; V1392-T1394 HydrophobicContact CG1-CG2 4.17Å; V1392-T1394 PolarHBondContact O-N 3.18Å; V1392-N1397 PolarHBondContact O-ND2 3.17Å | ||
| 1393 | V | 86.6 | Confident | 78.9 | Confident | 70.2 Ų | 70.2 | 67.9 Ų | 67.9 | 43% | 0.425 | 38% | 0.382 | S | S | . | . | trans | -73.5 | 114 | 177.6 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | V1391 H1444 L1445 | V1391-V1393 VanDerWaalsContact C-N 3.33Å; V1391-V1393 HydrophobicContact CB-CG2 4.36Å; V1391-V1393 HydrophobicContact CG1-CG2 3.9Å; V1391-V1393 PolarHBondContact O-N 3.18Å; V1391-V1393 VanDerWaalsContact O-N 3.13Å; V1393-H1444 HydrophobicContact CG2-CB 4.44Å; V1393-L1445 HydrophobicContact CG1-CD2 3.77Å; V1393-L1445 HydrophobicContact CG2-CD2 4.46Å | ||
| 1394 | T | 88 | Confident | 79.2 | Confident | 56 Ų | 56 | 66.3 Ų | 66.3 | 34% | 0.344 | 37% | 0.374 | S | S | . | . | trans | -134.9 | 162.9 | 171.1 | 68.1 | 0 | 0 | 0 | 0 | 109.7 | V1392 T1396 N1397 T1398 Y1441 | V1392-T1394 HydrophobicContact CG1-CG2 4.17Å; V1392-T1394 PolarHBondContact O-N 3.18Å; T1394-T1396 VanDerWaalsContact C-N 3.31Å; T1394-T1396 PolarHBondContact O-N 3.21Å; T1394-N1397 PolarHBondContact O-N 3.16Å; T1394-N1397 VanDerWaalsContact OG1-CB 3.28Å; T1394-N1397 WeakPolarHBondContact OG1-CB 3.38Å; T1394-N1397 PolarHBondContact OG1-N 3.14Å; T1394-N1397 PolarHBondContact OG1-ND2 3.2Å; T1394-N1397 PolarHBondContact OG1-OD1 3.26Å; T1394-T1398 VanDerWaalsContact O-CB 3.31Å; T1394-T1398 WeakPolarHBondContact O-CB 3.42Å; T1394-T1398 PolarHBondContact O-N 3.18Å; T1394-T1398 PolarHBondContact O-OG1 3.04Å; T1394-Y1441 PolarHBondContact N-OH 3.18Å; T1394-Y1441 PolarHBondContact O-OH 2.99Å | ||
| 1395 | E | 87.7 | Confident | 80.5 | Confident | 150.4 Ų | 150.4 | 63.7 Ų | 63.7 | 70% | 0.703 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.7 | -45.4 | 174.4 | -172.1 | 178.8 | 173.8 | 0 | 0 | 111.3 | Q1343 N1397 T1398 L1399 | Q1343-E1395 PolarHBondContact NE2-OE1 2.82Å; E1395-N1397 PolarHBondContact O-N 3.22Å; E1395-T1398 PolarHBondContact O-N 3.2Å; E1395-T1398 VanDerWaalsContact O-N 3.15Å; E1395-L1399 VanDerWaalsContact O-CB 3.3Å; E1395-L1399 WeakPolarHBondContact O-CB 3.26Å; E1395-L1399 PolarHBondContact O-N 3.08Å |
| 1396 | T | 89.7 | Confident | 82.1 | Confident | 55 Ų | 55 | 64 Ų | 64 | 34% | 0.337 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 178.3 | -42 | 0 | 0 | 0 | 0 | 112.5 | S1341 Q1343 T1394 F1400 | S1341-T1396 PolarHBondContact OG-O 3.4Å; Q1343-T1396 PolarHBondContact NE2-OG1 2.92Å; Q1343-T1396 PolarHBondContact OE1-OG1 2.89Å; T1394-T1396 VanDerWaalsContact C-N 3.31Å; T1394-T1396 PolarHBondContact O-N 3.21Å; T1396-F1400 WeakPolarHBondContact O-CB 3.4Å; T1396-F1400 PolarHBondContact O-N 3.24Å |
| 1397 | N | 91 | Very high | 84.5 | Confident | 32.2 Ų | 32.2 | 54.3 Ų | 54.3 | 17% | 0.172 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.7 | -36.8 | 176.6 | -68.2 | -5.2 | 0 | 0 | 0 | 111.4 | V1392 T1394 E1395 F1400 I1401 Y1441 | V1392-N1397 PolarHBondContact O-ND2 3.17Å; T1394-N1397 PolarHBondContact O-N 3.16Å; T1394-N1397 VanDerWaalsContact OG1-CB 3.28Å; T1394-N1397 WeakPolarHBondContact OG1-CB 3.38Å; T1394-N1397 PolarHBondContact OG1-N 3.14Å; T1394-N1397 PolarHBondContact OG1-ND2 3.2Å; T1394-N1397 PolarHBondContact OG1-OD1 3.26Å; E1395-N1397 PolarHBondContact O-N 3.22Å; N1397-F1400 WeakPolarHBondContact O-CB 3.36Å; N1397-F1400 PolarHBondContact O-N 3.13Å; N1397-I1401 WeakPolarHBondContact O-CB 3.47Å; N1397-I1401 VanDerWaalsContact O-CG1 3.24Å; N1397-I1401 WeakPolarHBondContact O-CG1 3.35Å; N1397-I1401 PolarHBondContact O-N 3.14Å; N1397-Y1441 HydrophobicContact CB-CE2 4.06Å; N1397-Y1441 WeakPolarHBondContact CB-OH 3.35Å |
| 1398 | T | 91.8 | Very high | 86.5 | Confident | 19.6 Ų | 19.6 | 50.9 Ų | 50.9 | 12% | 0.12 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.8 | -42.4 | 178.7 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | T1394 E1395 I1401 E1402 Y1441 L1445 I1453 | T1394-T1398 VanDerWaalsContact O-CB 3.31Å; T1394-T1398 WeakPolarHBondContact O-CB 3.42Å; T1394-T1398 PolarHBondContact O-N 3.18Å; T1394-T1398 PolarHBondContact O-OG1 3.04Å; E1395-T1398 PolarHBondContact O-N 3.2Å; E1395-T1398 VanDerWaalsContact O-N 3.15Å; T1398-I1401 PolarHBondContact O-N 3.23Å; T1398-E1402 PolarHBondContact O-N 3.01Å; T1398-Y1441 PolarHBondContact N-OH 3.17Å; T1398-Y1441 VanDerWaalsContact N-OH 3.16Å; T1398-Y1441 PolarHBondContact OG1-OH 3.09Å; T1398-L1445 HydrophobicContact CG2-CD1 4.03Å; T1398-L1445 HydrophobicContact CG2-CD2 4.04Å; T1398-I1453 HydrophobicContact CG2-CD1 3.74Å |
| 1399 | L | 91.3 | Very high | 88.5 | Confident | 34 Ų | 34 | 47.1 Ų | 47.1 | 18% | 0.178 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.5 | -41.4 | 172.8 | 178.9 | 62.6 | 0 | 0 | 0 | 111.9 | Q1343 E1395 E1402 N1403 | Q1343-L1399 HydrophobicContact CG-CD2 4.38Å; E1395-L1399 VanDerWaalsContact O-CB 3.3Å; E1395-L1399 WeakPolarHBondContact O-CB 3.26Å; E1395-L1399 PolarHBondContact O-N 3.08Å; L1399-E1402 PolarHBondContact O-N 2.91Å; L1399-N1403 WeakPolarHBondContact O-CB 3.32Å; L1399-N1403 PolarHBondContact O-N 2.98Å; L1399-N1403 VanDerWaalsContact O-N 3.1Å; L1399-N1403 PolarHBondContact O-ND2 3.35Å |
| 1400 | F | 93.5 | Very high | 89.9 | Confident | 13 Ų | 13 | 40.7 Ų | 40.7 | 6% | 0.057 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.5 | -54.9 | 173.2 | -175.4 | -105.1 | 0 | 0 | 0 | 110.6 | L1337 I1340 S1341 L1375 H1378 V1379 T1396 N1397 E1402 N1403 V1404 | L1337-F1400 HydrophobicContact CB-CE2 4.44Å; I1340-F1400 HydrophobicContact CB-CD2 4.46Å; I1340-F1400 HydrophobicContact CD1-CD2 3.81Å; I1340-F1400 HydrophobicContact CD1-CE2 3.69Å; I1340-F1400 HydrophobicContact CD1-CZ 4.48Å; I1340-F1400 HydrophobicContact CG1-CD2 3.87Å; I1340-F1400 HydrophobicContact CG1-CE2 3.97Å; I1340-F1400 HydrophobicContact CG2-CD2 4.1Å; S1341-F1400 WeakPolarHBondContact OG-CA 3.32Å; S1341-F1400 WeakPolarHBondContact OG-CB 3.32Å; S1341-F1400 PolarHBondContact OG-N 2.87Å; L1375-F1400 HydrophobicContact CD2-CZ 4.26Å; H1378-F1400 HydrophobicContact CB-CE1 3.64Å; H1378-F1400 HydrophobicContact CB-CE2 4.3Å; H1378-F1400 HydrophobicContact CB-CZ 3.46Å; H1378-F1400 AromaticContact CG-CZ 4Å; V1379-F1400 HydrophobicContact CG2-CD1 4.47Å; V1379-F1400 HydrophobicContact CG2-CE1 3.92Å; T1396-F1400 WeakPolarHBondContact O-CB 3.4Å; T1396-F1400 PolarHBondContact O-N 3.24Å; N1397-F1400 WeakPolarHBondContact O-CB 3.36Å; N1397-F1400 PolarHBondContact O-N 3.13Å; F1400-E1402 VanDerWaalsContact C-N 3.34Å; F1400-E1402 PolarHBondContact O-N 3.23Å; F1400-N1403 PolarHBondContact O-N 3.09Å; F1400-N1403 VanDerWaalsContact O-N 3.13Å; F1400-V1404 HydrophobicContact CD1-CG2 4.02Å; F1400-V1404 HydrophobicContact CD2-CG2 4.32Å; F1400-V1404 HydrophobicContact CE1-CG2 3.7Å; F1400-V1404 HydrophobicContact CE2-CG2 4.09Å; F1400-V1404 HydrophobicContact CG-CG2 4.35Å; F1400-V1404 HydrophobicContact CZ-CG2 3.73Å; F1400-V1404 VanDerWaalsContact O-CG2 3.31Å; F1400-V1404 WeakPolarHBondContact O-CG2 3.38Å; F1400-V1404 PolarHBondContact O-N 3.34Å |
| 1401 | I | 92.4 | Very high | 90.7 | Very high | 0.6 Ų | 0.6 | 34 Ų | 34 | 0% | 0.003 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.6 | -44 | 179.8 | -68.9 | -74.7 | 0 | 0 | 0 | 111.7 | V1379 N1397 T1398 N1403 V1404 I1405 I1438 Y1441 V1442 | V1379-I1401 HydrophobicContact CB-CD1 4.43Å; V1379-I1401 HydrophobicContact CG1-CD1 3.99Å; V1379-I1401 HydrophobicContact CG2-CD1 3.76Å; N1397-I1401 WeakPolarHBondContact O-CB 3.47Å; N1397-I1401 VanDerWaalsContact O-CG1 3.24Å; N1397-I1401 WeakPolarHBondContact O-CG1 3.35Å; N1397-I1401 PolarHBondContact O-N 3.14Å; T1398-I1401 PolarHBondContact O-N 3.23Å; I1401-N1403 VanDerWaalsContact C-N 3.34Å; I1401-N1403 PolarHBondContact O-N 3.04Å; I1401-V1404 PolarHBondContact O-N 3.02Å; I1401-I1405 HydrophobicContact CG2-CD1 3.79Å; I1401-I1405 HydrophobicContact CG2-CG1 4.49Å; I1401-I1405 WeakPolarHBondContact O-CD1 3.37Å; I1401-I1405 VanDerWaalsContact O-CG1 3.25Å; I1401-I1405 WeakPolarHBondContact O-CG1 3.2Å; I1401-I1405 PolarHBondContact O-N 3.17Å; I1401-I1438 HydrophobicContact CD1-CG1 4.2Å; I1401-I1438 HydrophobicContact CG2-CG2 4.37Å; I1401-Y1441 HydrophobicContact CB-CD1 4.24Å; I1401-Y1441 HydrophobicContact CB-CE1 4.36Å; I1401-Y1441 HydrophobicContact CD1-CG 4.38Å; I1401-Y1441 HydrophobicContact CG1-CD1 3.85Å; I1401-Y1441 HydrophobicContact CG1-CD2 4.41Å; I1401-Y1441 HydrophobicContact CG1-CE1 4.05Å; I1401-Y1441 HydrophobicContact CG1-CG 4.09Å; I1401-Y1441 HydrophobicContact CG2-CD1 4.1Å; I1401-V1442 HydrophobicContact CG2-CG2 4.11Å |
| 1402 | E | 92.4 | Very high | 90.8 | Very high | 37 Ų | 37 | 33.1 Ų | 33.1 | 17% | 0.173 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.6 | -43.2 | 176.3 | -180 | 169.6 | -169.4 | 0 | 0 | 112.4 | T1398 L1399 F1400 I1405 F1406 H1449 K1456 | T1398-E1402 PolarHBondContact O-N 3.01Å; L1399-E1402 PolarHBondContact O-N 2.91Å; F1400-E1402 VanDerWaalsContact C-N 3.34Å; F1400-E1402 PolarHBondContact O-N 3.23Å; E1402-I1405 PolarHBondContact O-N 3.23Å; E1402-F1406 PolarHBondContact O-N 3.08Å; E1402-F1406 VanDerWaalsContact O-N 3.15Å; E1402-H1449 IonicContact OE1-CE1 3.14Å; E1402-H1449 IonicContact OE1-NE2 2.81Å; E1402-H1449 PolarHBondContact OE1-NE2 3.25Å; E1402-H1449 IonicContact OE2-CD2 3.52Å; E1402-H1449 IonicContact OE2-CE1 3.25Å; E1402-H1449 IonicContact OE2-NE2 3.6Å; E1402-H1449 PolarHBondContact OE2-NE2 3.28Å; E1402-K1456 IonicContact OE1-NZ 2.98Å; E1402-K1456 PolarHBondContact OE1-NZ 3.13Å |
| 1403 | N | 92.8 | Very high | 90.8 | Very high | 2.2 Ų | 2.2 | 34.4 Ų | 34.4 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -72.5 | -31.1 | 177.9 | -72.3 | -31.3 | 0 | 0 | 0 | 112.6 | I1340 K1356 L1399 F1400 I1401 F1406 I1407 | I1340-N1403 HydrophobicContact CB-CB 4.22Å; I1340-N1403 HydrophobicContact CD1-CB 4.18Å; I1340-N1403 HydrophobicContact CG2-CB 3.25Å; I1340-N1403 PolarHBondContact O-ND2 3.11Å; K1356-N1403 HydrophobicContact CD-CB 4.19Å; K1356-N1403 WeakPolarHBondContact CD-OD1 3.43Å; K1356-N1403 WeakPolarHBondContact CE-OD1 3.46Å; K1356-N1403 PolarHBondContact NZ-OD1 3.01Å; L1399-N1403 WeakPolarHBondContact O-CB 3.32Å; L1399-N1403 PolarHBondContact O-N 2.98Å; L1399-N1403 VanDerWaalsContact O-N 3.1Å; L1399-N1403 PolarHBondContact O-ND2 3.35Å; F1400-N1403 PolarHBondContact O-N 3.09Å; F1400-N1403 VanDerWaalsContact O-N 3.13Å; I1401-N1403 VanDerWaalsContact C-N 3.34Å; I1401-N1403 PolarHBondContact O-N 3.04Å; N1403-F1406 WeakPolarHBondContact O-CB 3.4Å; N1403-F1406 PolarHBondContact O-N 3.11Å; N1403-I1407 VanDerWaalsContact O-CG1 3.31Å; N1403-I1407 WeakPolarHBondContact O-CG1 3.34Å; N1403-I1407 PolarHBondContact O-N 3.17Å |
| 1404 | V | 94.1 | Very high | 90 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.3 | -43 | 171.7 | 172 | 0 | 0 | 0 | 0 | 111.2 | I1340 L1375 F1400 I1401 F1406 I1407 M1408 I1438 | I1340-V1404 HydrophobicContact CD1-CG2 4.01Å; L1375-V1404 HydrophobicContact CD1-CG1 4.49Å; L1375-V1404 HydrophobicContact CD2-CB 4.46Å; L1375-V1404 HydrophobicContact CD2-CG1 4.18Å; L1375-V1404 HydrophobicContact CD2-CG2 3.61Å; F1400-V1404 HydrophobicContact CD1-CG2 4.02Å; F1400-V1404 HydrophobicContact CD2-CG2 4.32Å; F1400-V1404 HydrophobicContact CE1-CG2 3.7Å; F1400-V1404 HydrophobicContact CE2-CG2 4.09Å; F1400-V1404 HydrophobicContact CG-CG2 4.35Å; F1400-V1404 HydrophobicContact CZ-CG2 3.73Å; F1400-V1404 VanDerWaalsContact O-CG2 3.31Å; F1400-V1404 WeakPolarHBondContact O-CG2 3.38Å; F1400-V1404 PolarHBondContact O-N 3.34Å; I1401-V1404 PolarHBondContact O-N 3.02Å; V1404-F1406 VanDerWaalsContact C-N 3.27Å; V1404-F1406 PolarHBondContact O-N 3.13Å; V1404-I1407 PolarHBondContact O-N 2.98Å; V1404-I1407 VanDerWaalsContact O-N 3.16Å; V1404-M1408 HydrophobicContact CG1-CG 4.23Å; V1404-M1408 HydrophobicContact CG1-SD 4.02Å; V1404-M1408 WeakPolarHBondContact O-CG 3.38Å; V1404-M1408 PolarHBondContact O-N 3.07Å; V1404-I1438 HydrophobicContact CG1-CD1 4.09Å |
| 1405 | I | 94.1 | Very high | 88.5 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.2 | -42.5 | 173.8 | -69.2 | 157.2 | 0 | 0 | 0 | 110.6 | I1401 E1402 R1409 I1438 V1442 I1453 K1456 V1457 L1460 | I1401-I1405 HydrophobicContact CG2-CD1 3.79Å; I1401-I1405 HydrophobicContact CG2-CG1 4.49Å; I1401-I1405 WeakPolarHBondContact O-CD1 3.37Å; I1401-I1405 VanDerWaalsContact O-CG1 3.25Å; I1401-I1405 WeakPolarHBondContact O-CG1 3.2Å; I1401-I1405 PolarHBondContact O-N 3.17Å; E1402-I1405 PolarHBondContact O-N 3.23Å; I1405-R1409 VanDerWaalsContact O-CB 3.29Å; I1405-R1409 WeakPolarHBondContact O-CB 3.36Å; I1405-R1409 PolarHBondContact O-N 3.03Å; I1405-R1409 VanDerWaalsContact O-N 3.08Å; I1405-I1438 HydrophobicContact CD1-CG2 3.98Å; I1405-I1438 HydrophobicContact CG1-CG2 3.86Å; I1405-V1442 HydrophobicContact CD1-CG2 4.5Å; I1405-I1453 HydrophobicContact CD1-CG2 3.95Å; I1405-K1456 HydrophobicContact CG2-CB 3.92Å; I1405-V1457 HydrophobicContact CD1-CG2 3.48Å; I1405-V1457 VanDerWaalsContact CD1-CG2 3.47Å; I1405-V1457 HydrophobicContact CG1-CG2 4.1Å; I1405-L1460 HydrophobicContact CB-CD2 4.44Å; I1405-L1460 HydrophobicContact CG1-CD2 4.41Å; I1405-L1460 HydrophobicContact CG2-CB 4.37Å; I1405-L1460 HydrophobicContact CG2-CD2 4.11Å |
| 1406 | F | 93.5 | Very high | 86.7 | Confident | 74.6 Ų | 74.6 | 36.2 Ų | 36.2 | 33% | 0.327 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.4 | -47 | 174.4 | 178.9 | -87.5 | 0 | 0 | 0 | 112.6 | K1356 E1357 E1402 N1403 V1404 R1409 S1410 W1799 | K1356-F1406 HydrophobicContact CB-CD1 4.01Å; K1356-F1406 HydrophobicContact CB-CE1 4.35Å; K1356-F1406 HydrophobicContact CD-CD1 4Å; K1356-F1406 HydrophobicContact CD-CE1 4.4Å; K1356-F1406 HydrophobicContact CD-CG 4.31Å; K1356-F1406 HydrophobicContact CG-CD1 3.7Å; K1356-F1406 HydrophobicContact CG-CE1 3.82Å; E1357-F1406 HydrophobicContact CG-CE1 4.32Å; E1357-F1406 HydrophobicContact CG-CZ 4.28Å; E1402-F1406 PolarHBondContact O-N 3.08Å; E1402-F1406 VanDerWaalsContact O-N 3.15Å; N1403-F1406 WeakPolarHBondContact O-CB 3.4Å; N1403-F1406 PolarHBondContact O-N 3.11Å; V1404-F1406 VanDerWaalsContact C-N 3.27Å; V1404-F1406 PolarHBondContact O-N 3.13Å; F1406-R1409 PolarHBondContact O-N 3.12Å; F1406-S1410 VanDerWaalsContact O-CB 3.31Å; F1406-S1410 WeakPolarHBondContact O-CB 3.36Å; F1406-S1410 PolarHBondContact O-N 3.09Å; F1406-W1799 HydrophobicContact CZ-CH2 4.04Å; F1406-W1799 HydrophobicContact CZ-CZ2 4.38Å |
| 1407 | I | 93 | Very high | 84.6 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.5 | -48.7 | -179.8 | -72.6 | 165.1 | 0 | 0 | 0 | 111.1 | I1340 K1356 I1359 L1371 N1403 V1404 R1409 S1410 I1411 | I1340-I1407 HydrophobicContact CD1-CD1 3.62Å; I1340-I1407 VanDerWaalsContact CD1-CD1 3.48Å; I1340-I1407 HydrophobicContact CG1-CD1 4.42Å; I1340-I1407 HydrophobicContact CG2-CD1 4.31Å; K1356-I1407 HydrophobicContact CB-CD1 4.04Å; K1356-I1407 HydrophobicContact CB-CG1 3.92Å; I1359-I1407 HydrophobicContact CB-CD1 4.28Å; I1359-I1407 HydrophobicContact CB-CG1 4.44Å; I1359-I1407 HydrophobicContact CB-CG2 4.42Å; I1359-I1407 HydrophobicContact CD1-CD1 4.06Å; I1359-I1407 HydrophobicContact CG2-CD1 4.22Å; I1359-I1407 HydrophobicContact CG2-CG1 4.38Å; I1359-I1407 HydrophobicContact CG2-CG2 3.65Å; L1371-I1407 HydrophobicContact CD2-CG2 4.36Å; N1403-I1407 VanDerWaalsContact O-CG1 3.31Å; N1403-I1407 WeakPolarHBondContact O-CG1 3.34Å; N1403-I1407 PolarHBondContact O-N 3.17Å; V1404-I1407 PolarHBondContact O-N 2.98Å; V1404-I1407 VanDerWaalsContact O-N 3.16Å; I1407-R1409 VanDerWaalsContact C-N 3.32Å; I1407-R1409 PolarHBondContact O-N 3.08Å; I1407-S1410 PolarHBondContact O-N 3.21Å; I1407-I1411 HydrophobicContact CG2-CD1 3.81Å; I1407-I1411 WeakPolarHBondContact O-CG1 3.41Å; I1407-I1411 PolarHBondContact O-N 3.21Å |
| 1408 | M | 91.7 | Very high | 82.1 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.2 | -44.2 | 177.9 | -68.5 | -176.6 | 66.7 | 0 | 0 | 111.3 | F1372 V1404 I1411 L1412 I1431 L1434 M1435 I1438 L1460 | F1372-M1408 HydrophobicContact CE1-CE 4.44Å; F1372-M1408 HydrophobicContact CE1-CG 4.22Å; V1404-M1408 HydrophobicContact CG1-CG 4.23Å; V1404-M1408 HydrophobicContact CG1-SD 4.02Å; V1404-M1408 WeakPolarHBondContact O-CG 3.38Å; V1404-M1408 PolarHBondContact O-N 3.07Å; M1408-I1411 PolarHBondContact O-N 3.25Å; M1408-L1412 WeakPolarHBondContact O-CB 3.37Å; M1408-L1412 VanDerWaalsContact O-CG 3.31Å; M1408-L1412 WeakPolarHBondContact O-CG 3.37Å; M1408-L1412 PolarHBondContact O-N 3.19Å; M1408-L1412 VanDerWaalsContact O-N 3.09Å; M1408-I1431 HydrophobicContact CE-CG2 3.67Å; M1408-L1434 HydrophobicContact CE-CD2 3.91Å; M1408-L1434 HydrophobicContact CE-CG 4.2Å; M1408-L1434 HydrophobicContact SD-CD2 3.7Å; M1408-L1434 HydrophobicContact SD-CG 3.97Å; M1408-M1435 HydrophobicContact CE-CG 3.93Å; M1408-M1435 HydrophobicContact CE-SD 3.91Å; M1408-M1435 HydrophobicContact SD-SD 4.31Å; M1408-I1438 HydrophobicContact SD-CD1 3.57Å; M1408-I1438 VanDerWaalsContact SD-CD1 3.53Å; M1408-L1460 HydrophobicContact CB-CD1 3.78Å; M1408-L1460 HydrophobicContact CB-CD2 4.08Å; M1408-L1460 HydrophobicContact CE-CD2 4.46Å; M1408-L1460 HydrophobicContact SD-CD2 4.39Å |
| 1409 | R | 92.4 | Very high | 79.6 | Confident | 74.8 Ų | 74.8 | 48.7 Ų | 48.7 | 28% | 0.282 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.8 | -44.9 | 176.1 | 179.8 | -178.6 | 172.9 | 168.4 | 4.4 | 111.6 | I1405 F1406 I1407 I1411 L1412 D1413 Q1459 L1460 K1463 | I1405-R1409 VanDerWaalsContact O-CB 3.29Å; I1405-R1409 WeakPolarHBondContact O-CB 3.36Å; I1405-R1409 PolarHBondContact O-N 3.03Å; I1405-R1409 VanDerWaalsContact O-N 3.08Å; F1406-R1409 PolarHBondContact O-N 3.12Å; I1407-R1409 VanDerWaalsContact C-N 3.32Å; I1407-R1409 PolarHBondContact O-N 3.08Å; R1409-I1411 VanDerWaalsContact C-N 3.32Å; R1409-I1411 PolarHBondContact O-N 3.09Å; R1409-L1412 PolarHBondContact O-N 2.99Å; R1409-D1413 VanDerWaalsContact O-CB 3.3Å; R1409-D1413 WeakPolarHBondContact O-CB 3.35Å; R1409-D1413 PolarHBondContact O-N 3.19Å; R1409-Q1459 VanDerWaalsContact CZ-OE1 3.27Å; R1409-Q1459 VanDerWaalsContact NH2-OE1 3.11Å; R1409-L1460 HydrophobicContact CB-CD1 4.14Å; R1409-K1463 HydrophobicContact CG-CG 4.44Å |
| 1410 | S | 89.9 | Confident | 77.4 | Confident | 17 Ų | 17 | 51.6 Ų | 51.6 | 12% | 0.119 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.6 | -36.6 | -180 | 178.6 | 0 | 0 | 0 | 0 | 112.6 | G1360 N1361 F1406 I1407 L1412 K1414 | G1360-S1410 VanDerWaalsContact C-OG 3.28Å; G1360-S1410 VanDerWaalsContact CA-OG 3.27Å; G1360-S1410 WeakPolarHBondContact CA-OG 3.42Å; G1360-S1410 PolarHBondContact O-OG 3.12Å; N1361-S1410 PolarHBondContact OD1-OG 2.83Å; F1406-S1410 VanDerWaalsContact O-CB 3.31Å; F1406-S1410 WeakPolarHBondContact O-CB 3.36Å; F1406-S1410 PolarHBondContact O-N 3.09Å; I1407-S1410 PolarHBondContact O-N 3.21Å; S1410-L1412 VanDerWaalsContact C-N 3.33Å; S1410-L1412 PolarHBondContact O-N 3.35Å; S1410-K1414 WeakPolarHBondContact O-CG 3.45Å; S1410-K1414 PolarHBondContact O-N 2.96Å |
| 1411 | I | 89.1 | Confident | 75.5 | Confident | 1.6 Ų | 1.6 | 58.3 Ų | 58.3 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.9 | -41.1 | 174.5 | -68 | 168.7 | 0 | 0 | 0 | 111 | Y1368 L1371 F1372 I1407 M1408 R1409 L1426 R1467 | Y1368-I1411 HydrophobicContact CD2-CG2 4.26Å; Y1368-I1411 HydrophobicContact CE1-CD1 4.4Å; Y1368-I1411 HydrophobicContact CE1-CG1 4.43Å; Y1368-I1411 HydrophobicContact CE1-CG2 4.5Å; Y1368-I1411 HydrophobicContact CE2-CG2 3.85Å; L1371-I1411 HydrophobicContact CD2-CD1 3.66Å; F1372-I1411 HydrophobicContact CZ-CD1 4.4Å; F1372-I1411 HydrophobicContact CZ-CG2 4.35Å; I1407-I1411 HydrophobicContact CG2-CD1 3.81Å; I1407-I1411 WeakPolarHBondContact O-CG1 3.41Å; I1407-I1411 PolarHBondContact O-N 3.21Å; M1408-I1411 PolarHBondContact O-N 3.25Å; R1409-I1411 VanDerWaalsContact C-N 3.32Å; R1409-I1411 PolarHBondContact O-N 3.09Å; I1411-L1426 HydrophobicContact CG2-CD2 4.44Å; I1411-R1467 PolarHBondContact O-NH1 3.17Å |
| 1412 | L | 87 | Confident | 73.4 | Confident | 3.4 Ų | 3.4 | 59.2 Ų | 59.2 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -73.2 | -38.3 | -179.6 | -71 | 168.5 | 0 | 0 | 0 | 113.2 | M1408 R1409 S1410 K1414 L1426 L1460 K1463 M1464 R1467 L1471 | M1408-L1412 WeakPolarHBondContact O-CB 3.37Å; M1408-L1412 VanDerWaalsContact O-CG 3.31Å; M1408-L1412 WeakPolarHBondContact O-CG 3.37Å; M1408-L1412 PolarHBondContact O-N 3.19Å; M1408-L1412 VanDerWaalsContact O-N 3.09Å; R1409-L1412 PolarHBondContact O-N 2.99Å; S1410-L1412 VanDerWaalsContact C-N 3.33Å; S1410-L1412 PolarHBondContact O-N 3.35Å; L1412-K1414 PolarHBondContact O-N 3.19Å; L1412-K1414 VanDerWaalsContact O-N 3.15Å; L1412-L1426 HydrophobicContact CD2-CD2 4.29Å; L1412-L1460 HydrophobicContact CD1-CD1 3.78Å; L1412-K1463 HydrophobicContact CB-CB 4.35Å; L1412-M1464 HydrophobicContact CD1-CB 4.07Å; L1412-R1467 WeakPolarHBondContact O-CD 3.36Å; L1412-R1467 PolarHBondContact O-NH1 3.03Å; L1412-R1467 VanDerWaalsContact O-NH1 3.11Å; L1412-L1471 HydrophobicContact CD2-CD1 4.33Å; L1412-L1471 HydrophobicContact CD2-CD2 4.25Å |
| 1413 | D | 84.8 | Confident | 71.4 | Confident | 77.4 Ų | 77.4 | 59.2 Ų | 59.2 | 41% | 0.414 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -71.4 | -11.6 | -176.3 | -148.5 | 5.3 | 0 | 0 | 0 | 113.7 | R1409 R1415 K1463 | R1409-D1413 VanDerWaalsContact O-CB 3.3Å; R1409-D1413 WeakPolarHBondContact O-CB 3.35Å; R1409-D1413 PolarHBondContact O-N 3.19Å; D1413-R1415 VanDerWaalsContact C-N 3.3Å; D1413-R1415 PolarHBondContact O-N 3.18Å; D1413-K1463 HydrophobicContact CB-CD 4.41Å; D1413-K1463 VanDerWaalsContact CG-NZ 3.25Å; D1413-K1463 WeakPolarHBondContact OD1-CD 3.37Å; D1413-K1463 VanDerWaalsContact OD1-CE 3.3Å; D1413-K1463 WeakPolarHBondContact OD1-CE 3.32Å; D1413-K1463 IonicContact OD1-NZ 3.24Å; D1413-K1463 PolarHBondContact OD1-NZ 3.08Å; D1413-K1463 WeakPolarHBondContact OD2-CE 3.38Å; D1413-K1463 IonicContact OD2-NZ 2.98Å; D1413-K1463 PolarHBondContact OD2-NZ 3.2Å; D1413-K1463 VanDerWaalsContact OD2-NZ 3.13Å |
| 1414 | K | 70.1 | Confident | 69.7 | Low | 39.6 Ų | 39.6 | 61.8 Ų | 61.8 | 17% | 0.172 | 30% | 0.299 | C | S | . | . | trans | -66.4 | 86.8 | 170.2 | -72.3 | 173.6 | -177.8 | 172.4 | 0 | 111.4 | G1360 N1361 Y1368 S1410 L1412 T1416 R1467 | G1360-K1414 WeakPolarHBondContact O-CE 3.41Å; G1360-K1414 PolarHBondContact O-NZ 3.21Å; N1361-K1414 VanDerWaalsContact C-NZ 3.32Å; N1361-K1414 WeakPolarHBondContact O-CE 3.29Å; N1361-K1414 PolarHBondContact O-NZ 3.16Å; Y1368-K1414 PolarHBondContact OH-NZ 2.89Å; Y1368-K1414 VanDerWaalsContact OH-NZ 3.16Å; S1410-K1414 WeakPolarHBondContact O-CG 3.45Å; S1410-K1414 PolarHBondContact O-N 2.96Å; L1412-K1414 PolarHBondContact O-N 3.19Å; L1412-K1414 VanDerWaalsContact O-N 3.15Å; K1414-T1416 VanDerWaalsContact C-N 3.31Å; K1414-T1416 HydrophobicContact CB-CG2 4.3Å; K1414-T1416 HydrophobicContact CG-CG2 4.5Å; K1414-T1416 PolarHBondContact O-N 3.07Å; K1414-T1416 PolarHBondContact O-OG1 3.3Å; K1414-R1467 PolarHBondContact O-NH1 3.27Å | ||
| 1415 | R | 56.3 | Low | 68.4 | Low | 215 Ų | 215 | 63.4 Ų | 63.4 | 81% | 0.811 | 31% | 0.306 | S | S | * | . | trans | -69.5 | 85.3 | 155.6 | -108.8 | -172.7 | -139.6 | -176.7 | 1.1 | 109.1 | D1413 K1417 | D1413-R1415 VanDerWaalsContact C-N 3.3Å; D1413-R1415 PolarHBondContact O-N 3.18Å; R1415-K1417 VanDerWaalsContact C-N 3.3Å; R1415-K1417 HydrophobicContact CG-CG 4.07Å; R1415-K1417 WeakPolarHBondContact O-CG 3.46Å; R1415-K1417 PolarHBondContact O-N 3.1Å; R1415-K1417 VanDerWaalsContact O-N 3.12Å | ||
| 1416 | T | 50.6 | Low | 67.2 | Low | 59.4 Ų | 59.4 | 63.4 Ų | 63.4 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | trans | -67.5 | 93.8 | 175.2 | -16.8 | 0 | 0 | 0 | 0 | 109.9 | K1414 S1418 V1419 D1420 L1422 | K1414-T1416 VanDerWaalsContact C-N 3.31Å; K1414-T1416 HydrophobicContact CB-CG2 4.3Å; K1414-T1416 HydrophobicContact CG-CG2 4.5Å; K1414-T1416 PolarHBondContact O-N 3.07Å; K1414-T1416 PolarHBondContact O-OG1 3.3Å; T1416-S1418 PolarHBondContact O-N 3.13Å; T1416-V1419 HydrophobicContact CG2-CB 4.37Å; T1416-V1419 HydrophobicContact CG2-CG2 3.82Å; T1416-D1420 HydrophobicContact CG2-CB 4.01Å; T1416-L1422 HydrophobicContact CG2-CD1 4.1Å; T1416-L1422 WeakPolarHBondContact OG1-CD1 3.33Å | ||
| 1417 | K | 45.2 | Very low | 65.8 | Low | 187 Ų | 187 | 63.6 Ų | 63.6 | 81% | 0.813 | 31% | 0.309 | S | S | * | . | trans | -67.7 | 52.2 | -177.1 | -67.8 | -177 | 179.3 | 179.6 | 0 | 113.1 | R1415 V1419 | R1415-K1417 VanDerWaalsContact C-N 3.3Å; R1415-K1417 HydrophobicContact CG-CG 4.07Å; R1415-K1417 WeakPolarHBondContact O-CG 3.46Å; R1415-K1417 PolarHBondContact O-N 3.1Å; R1415-K1417 VanDerWaalsContact O-N 3.12Å; K1417-V1419 PolarHBondContact O-N 3.2Å | ||
| 1418 | S | 38.3 | Very low | 64.6 | Low | 86 Ų | 86 | 65.7 Ų | 65.7 | 60% | 0.601 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 164.5 | 42.9 | 178.4 | 59 | 0 | 0 | 0 | 0 | 116 | T1416 D1420 | T1416-S1418 PolarHBondContact O-N 3.13Å; S1418-D1420 VanDerWaalsContact C-N 3.28Å; S1418-D1420 PolarHBondContact O-N 3.15Å |
| 1419 | V | 40.1 | Very low | 63.9 | Low | 96 Ų | 96 | 66.7 Ų | 66.7 | 58% | 0.582 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -122 | 4.3 | -174.2 | -174.3 | 0 | 0 | 0 | 0 | 115.4 | T1416 K1417 R1421 L1422 N2019 | T1416-V1419 HydrophobicContact CG2-CB 4.37Å; T1416-V1419 HydrophobicContact CG2-CG2 3.82Å; K1417-V1419 PolarHBondContact O-N 3.2Å; V1419-R1421 PolarHBondContact O-N 2.9Å; V1419-L1422 HydrophobicContact CB-CD1 4.18Å; V1419-L1422 HydrophobicContact CG1-CD1 3.58Å; V1419-N2019 PolarHBondContact O-ND2 2.66Å |
| 1420 | D | 45 | Very low | 63.3 | Low | 94.4 Ų | 94.4 | 64.2 Ų | 64.2 | 51% | 0.505 | 32% | 0.32 | S | S | . | . | trans | -52.5 | 112.6 | 176.8 | -54 | -41.8 | 0 | 0 | 0 | 115.2 | R1029 T1416 S1418 L1422 N2019 | R1029-D1420 IonicContact CZ-OD2 3.6Å; R1029-D1420 IonicContact NH1-OD2 3.73Å; R1029-D1420 PolarHBondContact NH1-OD2 2.99Å; T1416-D1420 HydrophobicContact CG2-CB 4.01Å; S1418-D1420 VanDerWaalsContact C-N 3.28Å; S1418-D1420 PolarHBondContact O-N 3.15Å; D1420-L1422 VanDerWaalsContact C-N 3.29Å; D1420-L1422 HydrophobicContact CB-CD1 3.92Å; D1420-L1422 HydrophobicContact CB-CD2 3.73Å; D1420-L1422 HydrophobicContact CB-CG 3.99Å; D1420-L1422 PolarHBondContact O-N 3.21Å; D1420-N2019 PolarHBondContact N-ND2 2.64Å | ||
| 1421 | R | 52.1 | Low | 63.2 | Low | 153.8 Ų | 153.8 | 63.6 Ų | 63.6 | 58% | 0.58 | 32% | 0.315 | S | S | * | . | trans | -72.7 | 49 | 176.4 | -67.2 | -175.3 | -178.1 | 179.4 | 1.7 | 114.8 | V1419 D1424 H1425 | V1419-R1421 PolarHBondContact O-N 2.9Å; R1421-D1424 HydrophobicContact CB-CB 4.42Å; R1421-D1424 WeakPolarHBondContact CB-OD1 3.15Å; R1421-D1424 WeakPolarHBondContact CB-OD2 3.31Å; R1421-D1424 VanDerWaalsContact CD-OD2 3.27Å; R1421-D1424 WeakPolarHBondContact CD-OD2 3.18Å; R1421-D1424 WeakPolarHBondContact CG-OD2 3.19Å; R1421-D1424 IonicContact CZ-OD2 2.71Å; R1421-D1424 IonicContact NE-OD2 3.39Å; R1421-D1424 IonicContact NH1-OD2 3.09Å; R1421-D1424 PolarHBondContact NH1-OD2 2.91Å; R1421-H1425 PolarHBondContact O-CD2 2.89Å | ||
| 1422 | L | 49.3 | Very low | 63.3 | Low | 19.6 Ų | 19.6 | 64.5 Ų | 64.5 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | trans | -89.4 | -24.2 | -176.7 | -106.3 | 121.6 | 0 | 0 | 0 | 113.5 | P1365 Y1368 T1416 V1419 D1420 H1425 L1426 | P1365-L1422 HydrophobicContact CB-CD1 4.13Å; P1365-L1422 HydrophobicContact CB-CD2 4.03Å; P1365-L1422 HydrophobicContact CB-CG 4.18Å; P1365-L1422 HydrophobicContact CG-CD1 3.81Å; P1365-L1422 HydrophobicContact CG-CD2 3.73Å; P1365-L1422 HydrophobicContact CG-CG 4.05Å; Y1368-L1422 HydrophobicContact CE2-CD1 4.1Å; Y1368-L1422 HydrophobicContact CE2-CD2 3.92Å; Y1368-L1422 HydrophobicContact CE2-CG 4.42Å; T1416-L1422 HydrophobicContact CG2-CD1 4.1Å; T1416-L1422 WeakPolarHBondContact OG1-CD1 3.33Å; V1419-L1422 HydrophobicContact CB-CD1 4.18Å; V1419-L1422 HydrophobicContact CG1-CD1 3.58Å; D1420-L1422 VanDerWaalsContact C-N 3.29Å; D1420-L1422 HydrophobicContact CB-CD1 3.92Å; D1420-L1422 HydrophobicContact CB-CD2 3.73Å; D1420-L1422 HydrophobicContact CB-CG 3.99Å; D1420-L1422 PolarHBondContact O-N 3.21Å; L1422-H1425 PolarHBondContact O-N 3.28Å; L1422-L1426 HydrophobicContact CD2-CD1 4.14Å; L1422-L1426 HydrophobicContact CG-CD1 3.94Å; L1422-L1426 WeakPolarHBondContact O-CD1 3.5Å; L1422-L1426 PolarHBondContact O-N 3.29Å | ||
| 1423 | S | 49.1 | Very low | 63.4 | Low | 36.8 Ų | 36.8 | 66 Ų | 66 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.2 | -52.1 | 176.5 | 1.2 | 0 | 0 | 0 | 0 | 111.6 | H1425 L1426 E1427 D1470 | S1423-H1425 PolarHBondContact O-N 3.15Å; S1423-L1426 WeakPolarHBondContact O-CB 3.43Å; S1423-L1426 PolarHBondContact O-N 3.04Å; S1423-E1427 VanDerWaalsContact CB-OE1 3.24Å; S1423-E1427 WeakPolarHBondContact CB-OE1 3.36Å; S1423-E1427 WeakPolarHBondContact O-CG 3.38Å; S1423-E1427 PolarHBondContact O-N 3.19Å; S1423-D1470 WeakPolarHBondContact CB-OD1 3.44Å; S1423-D1470 PolarHBondContact OG-OD1 3.22Å |
| 1424 | D | 58.5 | Low | 63.7 | Low | 57.6 Ų | 57.6 | 62.5 Ų | 62.5 | 31% | 0.308 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -54.7 | -13.1 | -175 | -46.9 | 31.6 | 0 | 0 | 0 | 114.6 | R1421 E1427 | R1421-D1424 HydrophobicContact CB-CB 4.42Å; R1421-D1424 WeakPolarHBondContact CB-OD1 3.15Å; R1421-D1424 WeakPolarHBondContact CB-OD2 3.31Å; R1421-D1424 VanDerWaalsContact CD-OD2 3.27Å; R1421-D1424 WeakPolarHBondContact CD-OD2 3.18Å; R1421-D1424 WeakPolarHBondContact CG-OD2 3.19Å; R1421-D1424 IonicContact CZ-OD2 2.71Å; R1421-D1424 IonicContact NE-OD2 3.39Å; R1421-D1424 IonicContact NH1-OD2 3.09Å; R1421-D1424 PolarHBondContact NH1-OD2 2.91Å; D1424-E1427 PolarHBondContact N-OE1 3.26Å |
| 1425 | H | 65.2 | Low | 64.9 | Low | 32.4 Ų | 32.4 | 60.6 Ų | 60.6 | 15% | 0.15 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -113.5 | -17.1 | -176.5 | -59 | -20.7 | 0 | 0 | 0 | 113.4 | L1366 R1421 L1422 S1423 | L1366-H1425 VanDerWaalsContact CD2-NE2 3.33Å; L1366-H1425 WeakPolarHBondContact CD2-NE2 3.37Å; R1421-H1425 PolarHBondContact O-CD2 2.89Å; L1422-H1425 PolarHBondContact O-N 3.28Å; S1423-H1425 PolarHBondContact O-N 3.15Å |
| 1426 | L | 69.5 | Low | 66.6 | Low | 3.4 Ų | 3.4 | 51.5 Ų | 51.5 | 2% | 0.018 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -86 | -32 | 171.6 | -108.9 | 89.1 | 0 | 0 | 0 | 111.3 | Y1368 F1372 I1411 L1412 L1422 S1423 L1428 V1429 D1470 L1471 | Y1368-L1426 HydrophobicContact CD2-CD1 4.02Å; Y1368-L1426 HydrophobicContact CD2-CD2 4.21Å; Y1368-L1426 HydrophobicContact CD2-CG 4.44Å; Y1368-L1426 HydrophobicContact CE2-CD1 4.05Å; F1372-L1426 HydrophobicContact CD2-CD1 4.38Å; F1372-L1426 HydrophobicContact CE2-CD1 3.58Å; F1372-L1426 HydrophobicContact CE2-CD2 3.88Å; F1372-L1426 HydrophobicContact CZ-CD1 4.19Å; F1372-L1426 HydrophobicContact CZ-CD2 4.45Å; I1411-L1426 HydrophobicContact CG2-CD2 4.44Å; L1412-L1426 HydrophobicContact CD2-CD2 4.29Å; L1422-L1426 HydrophobicContact CD2-CD1 4.14Å; L1422-L1426 HydrophobicContact CG-CD1 3.94Å; L1422-L1426 WeakPolarHBondContact O-CD1 3.5Å; L1422-L1426 PolarHBondContact O-N 3.29Å; S1423-L1426 WeakPolarHBondContact O-CB 3.43Å; S1423-L1426 PolarHBondContact O-N 3.04Å; L1426-L1428 PolarHBondContact O-N 3.16Å; L1426-L1428 VanDerWaalsContact O-N 3.09Å; L1426-V1429 PolarHBondContact O-N 3.3Å; L1426-D1470 WeakPolarHBondContact CB-O 3.36Å; L1426-L1471 HydrophobicContact CB-CD2 4.1Å; L1426-L1471 HydrophobicContact CD1-CD2 4.5Å; L1426-L1471 HydrophobicContact CD2-CD2 3.73Å; L1426-L1471 VanDerWaalsContact CD2-CD2 3.47Å; L1426-L1471 HydrophobicContact CG-CD2 4.04Å |
| 1427 | E | 65.3 | Low | 68.6 | Low | 79.8 Ų | 79.8 | 49.3 Ų | 49.3 | 37% | 0.373 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -16.8 | 171.7 | -68.7 | 166 | -138.1 | 0 | 0 | 114.1 | S1423 D1424 V1429 A1472 | S1423-E1427 VanDerWaalsContact CB-OE1 3.24Å; S1423-E1427 WeakPolarHBondContact CB-OE1 3.36Å; S1423-E1427 WeakPolarHBondContact O-CG 3.38Å; S1423-E1427 PolarHBondContact O-N 3.19Å; D1424-E1427 PolarHBondContact N-OE1 3.26Å; E1427-V1429 VanDerWaalsContact C-N 3.26Å; E1427-V1429 PolarHBondContact O-N 3.18Å; E1427-A1472 WeakPolarHBondContact O-CB 3.43Å |
| 1428 | L | 67.9 | Low | 70.9 | Confident | 43.4 Ų | 43.4 | 40.4 Ų | 40.4 | 23% | 0.227 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -10.7 | 178.9 | -69.2 | 175.9 | 0 | 0 | 0 | 114.2 | L1313 V1316 Q1317 P1369 L1426 | L1313-L1428 HydrophobicContact CB-CD1 4.45Å; L1313-L1428 HydrophobicContact CB-CD2 4.09Å; L1313-L1428 HydrophobicContact CD1-CD2 4.05Å; L1313-L1428 HydrophobicContact CD2-CD1 4.01Å; L1313-L1428 HydrophobicContact CD2-CD2 3.92Å; L1313-L1428 HydrophobicContact CD2-CG 4.04Å; L1313-L1428 HydrophobicContact CG-CD1 3.98Å; L1313-L1428 HydrophobicContact CG-CD2 3.95Å; L1313-L1428 HydrophobicContact CG-CG 3.99Å; V1316-L1428 HydrophobicContact CG1-CD1 4.32Å; Q1317-L1428 HydrophobicContact CB-CD2 4.3Å; Q1317-L1428 HydrophobicContact CG-CD2 4.47Å; Q1317-L1428 PolarHBondContact NE2-O 3.15Å; Q1317-L1428 VanDerWaalsContact NE2-O 3.1Å; P1369-L1428 HydrophobicContact CB-CB 4.37Å; P1369-L1428 HydrophobicContact CB-CD1 4.3Å; P1369-L1428 HydrophobicContact CG-CB 4.21Å; P1369-L1428 HydrophobicContact CG-CD1 4.05Å; P1369-L1428 HydrophobicContact CG-CG 4.5Å; L1426-L1428 PolarHBondContact O-N 3.16Å; L1426-L1428 VanDerWaalsContact O-N 3.09Å |
| 1429 | V | 75.7 | Confident | 73.5 | Confident | 22 Ų | 22 | 36.3 Ų | 36.3 | 13% | 0.133 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -132.3 | 124.5 | -173.4 | -176.5 | 0 | 0 | 0 | 0 | 113 | P1369 F1372 L1426 E1427 I1431 | P1369-V1429 HydrophobicContact CB-CG2 4Å; P1369-V1429 HydrophobicContact CG-CG2 4.36Å; F1372-V1429 HydrophobicContact CB-CB 4.4Å; F1372-V1429 HydrophobicContact CB-CG1 3.69Å; F1372-V1429 VanDerWaalsContact CB-CG1 3.43Å; F1372-V1429 HydrophobicContact CB-CG2 4.34Å; F1372-V1429 HydrophobicContact CD1-CG1 4.42Å; F1372-V1429 HydrophobicContact CD2-CG1 4.01Å; F1372-V1429 HydrophobicContact CD2-CG2 4.22Å; F1372-V1429 HydrophobicContact CG-CG1 4.07Å; L1426-V1429 PolarHBondContact O-N 3.3Å; E1427-V1429 VanDerWaalsContact C-N 3.26Å; E1427-V1429 PolarHBondContact O-N 3.18Å; V1429-I1431 HydrophobicContact CG1-CG1 4.29Å; V1429-I1431 PolarHBondContact O-N 3.24Å; V1429-I1431 VanDerWaalsContact O-N 3.08Å |
| 1430 | S | 80.9 | Confident | 75.9 | Confident | 21.8 Ų | 21.8 | 34.1 Ų | 34.1 | 15% | 0.152 | 17% | 0.17 | C | C | . | . | trans | -72.7 | 110.2 | 170.7 | 55.2 | 0 | 0 | 0 | 0 | 111.6 | R1376 E1432 A1472 | R1376-S1430 PolarHBondContact NH2-O 3.16Å; R1376-S1430 PolarHBondContact NH2-OG 3.31Å; S1430-E1432 VanDerWaalsContact C-N 3.29Å; S1430-E1432 PolarHBondContact O-N 3.16Å; S1430-A1472 WeakPolarHBondContact CA-O 3.38Å | ||
| 1431 | I | 87.5 | Confident | 78.1 | Confident | 4.2 Ų | 4.2 | 29.6 Ų | 29.6 | 2% | 0.022 | 15% | 0.146 | C | C | . | . | trans | -75 | -19.4 | 177.6 | -64.4 | -174.6 | 0 | 0 | 0 | 112.1 | F1372 M1408 V1429 S1433 L1434 M1435 M1464 L1471 | F1372-I1431 HydrophobicContact CD1-CD1 4.49Å; F1372-I1431 HydrophobicContact CE1-CD1 4.33Å; F1372-I1431 HydrophobicContact CE2-CD1 4.31Å; F1372-I1431 HydrophobicContact CZ-CD1 4.26Å; M1408-I1431 HydrophobicContact CE-CG2 3.67Å; V1429-I1431 HydrophobicContact CG1-CG1 4.29Å; V1429-I1431 PolarHBondContact O-N 3.24Å; V1429-I1431 VanDerWaalsContact O-N 3.08Å; I1431-S1433 PolarHBondContact O-N 3.02Å; I1431-L1434 WeakPolarHBondContact O-CB 3.26Å; I1431-L1434 PolarHBondContact O-N 3.16Å; I1431-L1434 VanDerWaalsContact O-N 3.14Å; I1431-M1435 HydrophobicContact CG2-CB 4.28Å; I1431-M1435 HydrophobicContact CG2-CG 3.56Å; I1431-M1435 PolarHBondContact O-N 2.93Å; I1431-M1464 HydrophobicContact CG2-SD 4.24Å; I1431-L1471 HydrophobicContact CD1-CD1 4.36Å; I1431-L1471 HydrophobicContact CD1-CD2 3.7Å; I1431-L1471 HydrophobicContact CG1-CD2 4.47Å | ||
| 1432 | E | 90.2 | Very high | 80.1 | Confident | 21 Ų | 21 | 22.3 Ų | 22.3 | 10% | 0.098 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -44.2 | -56.8 | -174 | -62.9 | 166.9 | 135.7 | 0 | 0 | 114.5 | S1430 L1434 M1435 L1436 F1473 R1474 Q1475 E1476 F1479 | S1430-E1432 VanDerWaalsContact C-N 3.29Å; S1430-E1432 PolarHBondContact O-N 3.16Å; E1432-L1434 VanDerWaalsContact C-N 3.34Å; E1432-L1434 PolarHBondContact O-N 3.12Å; E1432-M1435 PolarHBondContact O-N 3.23Å; E1432-L1436 WeakPolarHBondContact O-CB 3.24Å; E1432-L1436 VanDerWaalsContact O-CG 3.31Å; E1432-L1436 WeakPolarHBondContact O-CG 3.4Å; E1432-L1436 PolarHBondContact O-N 3.23Å; E1432-F1473 HydrophobicContact CG-CD1 3.78Å; E1432-F1473 HydrophobicContact CG-CE1 4.38Å; E1432-F1473 WeakPolarHBondContact OE1-CB 3.22Å; E1432-R1474 VanDerWaalsContact CD-N 3.29Å; E1432-R1474 PolarHBondContact OE1-N 3.17Å; E1432-R1474 WeakPolarHBondContact OE2-CB 3.34Å; E1432-R1474 PolarHBondContact OE2-N 3.14Å; E1432-Q1475 PolarHBondContact OE1-N 3.1Å; E1432-E1476 PolarHBondContact OE1-N 3.47Å; E1432-F1479 HydrophobicContact CB-CD2 3.92Å; E1432-F1479 HydrophobicContact CB-CE2 4.18Å; E1432-F1479 HydrophobicContact CB-CG 4.35Å; E1432-F1479 HydrophobicContact CG-CB 4.31Å; E1432-F1479 HydrophobicContact CG-CD1 4.34Å; E1432-F1479 HydrophobicContact CG-CD2 4.06Å; E1432-F1479 HydrophobicContact CG-CE2 4.42Å; E1432-F1479 HydrophobicContact CG-CG 3.99Å; E1432-F1479 WeakPolarHBondContact O-CE2 3.38Å |
| 1433 | S | 89.5 | Confident | 81.9 | Confident | 36 Ų | 36 | 26.8 Ų | 26.8 | 25% | 0.252 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -65.2 | -41 | -176.1 | -166.8 | 0 | 0 | 0 | 0 | 112.4 | R1376 I1431 L1436 N1437 | R1376-S1433 PolarHBondContact NE-OG 3.43Å; R1376-S1433 PolarHBondContact NH2-OG 3.13Å; I1431-S1433 PolarHBondContact O-N 3.02Å; S1433-L1436 PolarHBondContact O-N 3.12Å; S1433-N1437 VanDerWaalsContact O-CB 3.25Å; S1433-N1437 WeakPolarHBondContact O-CB 3.27Å; S1433-N1437 VanDerWaalsContact O-CG 3.24Å; S1433-N1437 PolarHBondContact O-N 3.07Å; S1433-N1437 PolarHBondContact O-ND2 3.18Å; S1433-N1437 PolarHBondContact O-OD1 3.14Å |
| 1434 | L | 92.2 | Very high | 83.6 | Confident | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.4 | -46 | 179.1 | 172.5 | 58.9 | 0 | 0 | 0 | 110.3 | F1372 L1375 V1379 M1408 I1431 E1432 N1437 I1438 | F1372-L1434 HydrophobicContact CD1-CD2 4.01Å; F1372-L1434 HydrophobicContact CE1-CD2 4.5Å; L1375-L1434 HydrophobicContact CB-CD2 4.24Å; V1379-L1434 HydrophobicContact CB-CD1 3.88Å; V1379-L1434 HydrophobicContact CG1-CD1 4.17Å; V1379-L1434 HydrophobicContact CG2-CD1 3.67Å; M1408-L1434 HydrophobicContact CE-CD2 3.91Å; M1408-L1434 HydrophobicContact CE-CG 4.2Å; M1408-L1434 HydrophobicContact SD-CD2 3.7Å; M1408-L1434 HydrophobicContact SD-CG 3.97Å; I1431-L1434 WeakPolarHBondContact O-CB 3.26Å; I1431-L1434 PolarHBondContact O-N 3.16Å; I1431-L1434 VanDerWaalsContact O-N 3.14Å; E1432-L1434 VanDerWaalsContact C-N 3.34Å; E1432-L1434 PolarHBondContact O-N 3.12Å; L1434-N1437 PolarHBondContact O-N 3.27Å; L1434-I1438 HydrophobicContact CD1-CD1 3.89Å; L1434-I1438 HydrophobicContact CD1-CG1 4.31Å; L1434-I1438 HydrophobicContact CG-CD1 4.04Å; L1434-I1438 WeakPolarHBondContact O-CB 3.36Å; L1434-I1438 VanDerWaalsContact O-CG1 3.28Å; L1434-I1438 WeakPolarHBondContact O-CG1 3.29Å; L1434-I1438 PolarHBondContact O-N 3.27Å |
| 1435 | M | 93.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.8 | -42.3 | 178.8 | -133.7 | 22.7 | -132.1 | 0 | 0 | 112.7 | M1408 I1431 E1432 N1437 I1438 V1439 V1457 L1460 V1461 M1464 F1479 | M1408-M1435 HydrophobicContact CE-CG 3.93Å; M1408-M1435 HydrophobicContact CE-SD 3.91Å; M1408-M1435 HydrophobicContact SD-SD 4.31Å; I1431-M1435 HydrophobicContact CG2-CB 4.28Å; I1431-M1435 HydrophobicContact CG2-CG 3.56Å; I1431-M1435 PolarHBondContact O-N 2.93Å; E1432-M1435 PolarHBondContact O-N 3.23Å; M1435-N1437 VanDerWaalsContact C-N 3.3Å; M1435-N1437 PolarHBondContact O-N 3.26Å; M1435-I1438 PolarHBondContact O-N 2.86Å; M1435-I1438 HydrophobicContact SD-CD1 4.26Å; M1435-V1439 HydrophobicContact CE-CG2 4.24Å; M1435-V1439 WeakPolarHBondContact O-CG2 3.26Å; M1435-V1439 PolarHBondContact O-N 3.07Å; M1435-V1457 HydrophobicContact CE-CG1 3.86Å; M1435-L1460 HydrophobicContact CE-CB 4.4Å; M1435-L1460 HydrophobicContact CE-CD2 3.96Å; M1435-L1460 HydrophobicContact CE-CG 3.99Å; M1435-L1460 HydrophobicContact SD-CD2 3.73Å; M1435-L1460 HydrophobicContact SD-CG 4.15Å; M1435-V1461 HydrophobicContact CE-CB 4.44Å; M1435-V1461 HydrophobicContact CE-CG2 3.49Å; M1435-M1464 HydrophobicContact CE-CE 3.96Å; M1435-M1464 HydrophobicContact CE-SD 4.2Å; M1435-M1464 HydrophobicContact CG-CE 4.23Å; M1435-M1464 HydrophobicContact CG-SD 4.01Å; M1435-M1464 HydrophobicContact SD-SD 4.42Å; M1435-F1479 HydrophobicContact CB-CE2 4.01Å; M1435-F1479 HydrophobicContact CB-CZ 3.98Å; M1435-F1479 HydrophobicContact CG-CE2 4.43Å; M1435-F1479 HydrophobicContact CG-CZ 4.21Å |
| 1436 | L | 92.4 | Very high | 85.4 | Confident | 24.8 Ų | 24.8 | 34.8 Ų | 34.8 | 13% | 0.13 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.2 | -34.8 | 174.8 | -70.4 | 173.2 | 0 | 0 | 0 | 112.1 | E1432 S1433 V1439 R1440 F1479 K1482 L1483 Y1486 | E1432-L1436 WeakPolarHBondContact O-CB 3.24Å; E1432-L1436 VanDerWaalsContact O-CG 3.31Å; E1432-L1436 WeakPolarHBondContact O-CG 3.4Å; E1432-L1436 PolarHBondContact O-N 3.23Å; S1433-L1436 PolarHBondContact O-N 3.12Å; L1436-V1439 PolarHBondContact O-N 2.93Å; L1436-R1440 VanDerWaalsContact O-CB 3.32Å; L1436-R1440 WeakPolarHBondContact O-CB 3.3Å; L1436-R1440 WeakPolarHBondContact O-CD 2.82Å; L1436-R1440 WeakPolarHBondContact O-CG 3.36Å; L1436-R1440 VanDerWaalsContact O-CZ 3.31Å; L1436-R1440 PolarHBondContact O-N 3.04Å; L1436-R1440 PolarHBondContact O-NE 2.96Å; L1436-R1440 PolarHBondContact O-NH2 3.29Å; L1436-F1479 HydrophobicContact CD1-CD2 4.06Å; L1436-F1479 HydrophobicContact CD2-CD2 4.08Å; L1436-F1479 HydrophobicContact CD2-CE2 4.27Å; L1436-F1479 HydrophobicContact CG-CD2 3.83Å; L1436-F1479 HydrophobicContact CG-CE2 3.94Å; L1436-K1482 HydrophobicContact CD1-CD 4.4Å; L1436-K1482 HydrophobicContact CD2-CB 4.42Å; L1436-K1482 HydrophobicContact CD2-CD 4.34Å; L1436-K1482 HydrophobicContact CD2-CG 4.29Å; L1436-L1483 HydrophobicContact CD2-CD2 4.13Å; L1436-L1483 HydrophobicContact CD2-CG 4.37Å; L1436-Y1486 HydrophobicContact CD2-CD2 4.45Å; L1436-Y1486 HydrophobicContact CD2-CE2 4.03Å |
| 1437 | N | 92 | Very high | 85.4 | Confident | 12.2 Ų | 12.2 | 37.7 Ų | 37.7 | 7% | 0.065 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -73.8 | -40 | 176.9 | -71.7 | -11.2 | 0 | 0 | 0 | 111.7 | V1379 D1380 F1383 S1433 L1434 M1435 V1439 R1440 Y1441 | V1379-N1437 HydrophobicContact CG1-CB 3.71Å; D1380-N1437 VanDerWaalsContact CG-ND2 3.33Å; D1380-N1437 PolarHBondContact OD1-ND2 3.2Å; F1383-N1437 HydrophobicContact CE2-CB 3.88Å; F1383-N1437 HydrophobicContact CZ-CB 4.15Å; F1383-N1437 WeakPolarHBondContact CZ-O 3.3Å; S1433-N1437 VanDerWaalsContact O-CB 3.25Å; S1433-N1437 WeakPolarHBondContact O-CB 3.27Å; S1433-N1437 VanDerWaalsContact O-CG 3.24Å; S1433-N1437 PolarHBondContact O-N 3.07Å; S1433-N1437 PolarHBondContact O-ND2 3.18Å; S1433-N1437 PolarHBondContact O-OD1 3.14Å; L1434-N1437 PolarHBondContact O-N 3.27Å; M1435-N1437 VanDerWaalsContact C-N 3.3Å; M1435-N1437 PolarHBondContact O-N 3.26Å; N1437-V1439 VanDerWaalsContact C-N 3.35Å; N1437-V1439 PolarHBondContact O-N 3.35Å; N1437-R1440 PolarHBondContact O-N 3.09Å; N1437-R1440 VanDerWaalsContact O-N 3.17Å; N1437-R1440 VanDerWaalsContact OD1-CZ 3.23Å; N1437-R1440 PolarHBondContact OD1-NH1 3.2Å; N1437-R1440 PolarHBondContact OD1-NH2 3.21Å; N1437-Y1441 WeakPolarHBondContact O-CB 3.36Å; N1437-Y1441 PolarHBondContact O-N 3.11Å |
| 1438 | I | 93.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.6 | -48.5 | 171 | -71.6 | 164 | 0 | 0 | 0 | 111 | V1379 I1401 V1404 I1405 M1408 L1434 M1435 R1440 Y1441 V1442 V1457 | V1379-I1438 HydrophobicContact CG1-CG1 4.35Å; I1401-I1438 HydrophobicContact CD1-CG1 4.2Å; I1401-I1438 HydrophobicContact CG2-CG2 4.37Å; V1404-I1438 HydrophobicContact CG1-CD1 4.09Å; I1405-I1438 HydrophobicContact CD1-CG2 3.98Å; I1405-I1438 HydrophobicContact CG1-CG2 3.86Å; M1408-I1438 HydrophobicContact SD-CD1 3.57Å; M1408-I1438 VanDerWaalsContact SD-CD1 3.53Å; L1434-I1438 HydrophobicContact CD1-CD1 3.89Å; L1434-I1438 HydrophobicContact CD1-CG1 4.31Å; L1434-I1438 HydrophobicContact CG-CD1 4.04Å; L1434-I1438 WeakPolarHBondContact O-CB 3.36Å; L1434-I1438 VanDerWaalsContact O-CG1 3.28Å; L1434-I1438 WeakPolarHBondContact O-CG1 3.29Å; L1434-I1438 PolarHBondContact O-N 3.27Å; M1435-I1438 PolarHBondContact O-N 2.86Å; M1435-I1438 HydrophobicContact SD-CD1 4.26Å; I1438-R1440 VanDerWaalsContact C-N 3.34Å; I1438-R1440 PolarHBondContact O-N 3.2Å; I1438-Y1441 PolarHBondContact O-N 3.28Å; I1438-V1442 HydrophobicContact CG2-CG2 4.48Å; I1438-V1442 WeakPolarHBondContact O-CG2 3.38Å; I1438-V1442 PolarHBondContact O-N 3.16Å; I1438-V1457 HydrophobicContact CG2-CG2 4.13Å |
| 1439 | V | 93.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.1 | -40.6 | 179.9 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | M1435 L1436 N1437 Y1441 V1442 R1443 V1457 L1483 Y1486 W1490 | M1435-V1439 HydrophobicContact CE-CG2 4.24Å; M1435-V1439 WeakPolarHBondContact O-CG2 3.26Å; M1435-V1439 PolarHBondContact O-N 3.07Å; L1436-V1439 PolarHBondContact O-N 2.93Å; N1437-V1439 VanDerWaalsContact C-N 3.35Å; N1437-V1439 PolarHBondContact O-N 3.35Å; V1439-Y1441 VanDerWaalsContact C-N 3.34Å; V1439-Y1441 PolarHBondContact O-N 3.28Å; V1439-V1442 PolarHBondContact O-N 3.1Å; V1439-R1443 WeakPolarHBondContact O-CB 3.27Å; V1439-R1443 PolarHBondContact O-N 3.26Å; V1439-V1457 HydrophobicContact CG2-CG1 3.92Å; V1439-L1483 HydrophobicContact CB-CD2 4.47Å; V1439-L1483 HydrophobicContact CG2-CD2 3.88Å; V1439-Y1486 HydrophobicContact CB-CD2 4.32Å; V1439-Y1486 VanDerWaalsContact CG1-CB 3.45Å; V1439-Y1486 HydrophobicContact CG1-CD1 4.43Å; V1439-Y1486 HydrophobicContact CG1-CD2 3.57Å; V1439-Y1486 VanDerWaalsContact CG1-CD2 3.44Å; V1439-Y1486 HydrophobicContact CG1-CE2 4.39Å; V1439-Y1486 HydrophobicContact CG1-CG 3.78Å; V1439-W1490 HydrophobicContact CG1-CH2 4.44Å; V1439-W1490 HydrophobicContact CG1-CZ2 4.15Å |
| 1440 | R | 90.9 | Very high | 86.9 | Confident | 49.8 Ų | 49.8 | 40.3 Ų | 40.3 | 19% | 0.188 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.4 | -39.2 | 173.3 | -81.8 | 177.3 | -125.1 | 127.6 | 2.9 | 112.7 | F1383 L1436 N1437 I1438 R1443 H1444 Y1486 | F1383-R1440 HydrophobicContact CE1-CB 4.15Å; F1383-R1440 HydrophobicContact CZ-CB 4.21Å; L1436-R1440 VanDerWaalsContact O-CB 3.32Å; L1436-R1440 WeakPolarHBondContact O-CB 3.3Å; L1436-R1440 WeakPolarHBondContact O-CD 2.82Å; L1436-R1440 WeakPolarHBondContact O-CG 3.36Å; L1436-R1440 VanDerWaalsContact O-CZ 3.31Å; L1436-R1440 PolarHBondContact O-N 3.04Å; L1436-R1440 PolarHBondContact O-NE 2.96Å; L1436-R1440 PolarHBondContact O-NH2 3.29Å; N1437-R1440 PolarHBondContact O-N 3.09Å; N1437-R1440 VanDerWaalsContact O-N 3.17Å; N1437-R1440 VanDerWaalsContact OD1-CZ 3.23Å; N1437-R1440 PolarHBondContact OD1-NH1 3.2Å; N1437-R1440 PolarHBondContact OD1-NH2 3.21Å; I1438-R1440 VanDerWaalsContact C-N 3.34Å; I1438-R1440 PolarHBondContact O-N 3.2Å; R1440-R1443 PolarHBondContact O-N 3.45Å; R1440-H1444 PolarHBondContact O-CE1 2.92Å; R1440-H1444 PolarHBondContact O-ND1 3.16Å; R1440-Y1486 VanDerWaalsContact CD-OH 3.27Å; R1440-Y1486 WeakPolarHBondContact CD-OH 3.4Å; R1440-Y1486 HydrophobicContact CG-CE1 4.34Å; R1440-Y1486 HydrophobicContact CG-CE2 4.22Å; R1440-Y1486 VanDerWaalsContact CG-OH 3.25Å; R1440-Y1486 WeakPolarHBondContact CG-OH 3.45Å; R1440-Y1486 PolarHBondContact NE-OH 3.09Å |
| 1441 | Y | 92 | Very high | 87.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.7 | -50.8 | 174.7 | -173.5 | -85 | 0 | 0 | 0 | 110.7 | C1382 V1391 T1394 N1397 T1398 I1401 N1437 I1438 V1439 R1443 H1444 L1445 | C1382-Y1441 HydrophobicContact CB-CD2 4.09Å; C1382-Y1441 HydrophobicContact CB-CE2 4.18Å; V1391-Y1441 HydrophobicContact CG1-CD2 3.39Å; V1391-Y1441 VanDerWaalsContact CG1-CD2 3.44Å; V1391-Y1441 HydrophobicContact CG1-CE2 3.81Å; V1391-Y1441 HydrophobicContact CG1-CG 4.13Å; T1394-Y1441 PolarHBondContact N-OH 3.18Å; T1394-Y1441 PolarHBondContact O-OH 2.99Å; N1397-Y1441 HydrophobicContact CB-CE2 4.06Å; N1397-Y1441 WeakPolarHBondContact CB-OH 3.35Å; T1398-Y1441 PolarHBondContact N-OH 3.17Å; T1398-Y1441 VanDerWaalsContact N-OH 3.16Å; T1398-Y1441 PolarHBondContact OG1-OH 3.09Å; I1401-Y1441 HydrophobicContact CB-CD1 4.24Å; I1401-Y1441 HydrophobicContact CB-CE1 4.36Å; I1401-Y1441 HydrophobicContact CD1-CG 4.38Å; I1401-Y1441 HydrophobicContact CG1-CD1 3.85Å; I1401-Y1441 HydrophobicContact CG1-CD2 4.41Å; I1401-Y1441 HydrophobicContact CG1-CE1 4.05Å; I1401-Y1441 HydrophobicContact CG1-CG 4.09Å; I1401-Y1441 HydrophobicContact CG2-CD1 4.1Å; N1437-Y1441 WeakPolarHBondContact O-CB 3.36Å; N1437-Y1441 PolarHBondContact O-N 3.11Å; I1438-Y1441 PolarHBondContact O-N 3.28Å; V1439-Y1441 VanDerWaalsContact C-N 3.34Å; V1439-Y1441 PolarHBondContact O-N 3.28Å; Y1441-R1443 VanDerWaalsContact C-N 3.28Å; Y1441-R1443 PolarHBondContact O-N 3.13Å; Y1441-H1444 PolarHBondContact O-N 3.26Å; Y1441-L1445 HydrophobicContact CD1-CD1 4.28Å; Y1441-L1445 HydrophobicContact CD1-CD2 4.45Å; Y1441-L1445 HydrophobicContact CD1-CG 4.38Å; Y1441-L1445 HydrophobicContact CE1-CD1 4.14Å; Y1441-L1445 HydrophobicContact CE1-CD2 3.84Å; Y1441-L1445 HydrophobicContact CE1-CG 4.2Å |
| 1442 | V | 92.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.5 | -25.7 | -177.1 | 174.4 | 0 | 0 | 0 | 0 | 113.2 | I1401 I1405 I1438 V1439 H1444 L1445 I1453 K1454 V1457 W1490 | I1401-V1442 HydrophobicContact CG2-CG2 4.11Å; I1405-V1442 HydrophobicContact CD1-CG2 4.5Å; I1438-V1442 HydrophobicContact CG2-CG2 4.48Å; I1438-V1442 WeakPolarHBondContact O-CG2 3.38Å; I1438-V1442 PolarHBondContact O-N 3.16Å; V1439-V1442 PolarHBondContact O-N 3.1Å; V1442-H1444 PolarHBondContact O-N 3.13Å; V1442-L1445 HydrophobicContact CB-CD1 4.46Å; V1442-L1445 HydrophobicContact CG2-CD1 4.2Å; V1442-L1445 PolarHBondContact O-N 3.31Å; V1442-I1453 HydrophobicContact CB-CG2 4.47Å; V1442-I1453 HydrophobicContact CG1-CG2 3.98Å; V1442-I1453 HydrophobicContact CG2-CG2 3.6Å; V1442-K1454 HydrophobicContact CG1-CB 4.49Å; V1442-K1454 HydrophobicContact CG1-CG 3.53Å; V1442-K1454 WeakPolarHBondContact O-CE 3.35Å; V1442-V1457 HydrophobicContact CG1-CG2 4.46Å; V1442-V1457 HydrophobicContact CG2-CG2 4.15Å; V1442-W1490 HydrophobicContact CB-CH2 4.42Å; V1442-W1490 HydrophobicContact CB-CZ2 4.29Å; V1442-W1490 HydrophobicContact CG1-CH2 3.85Å; V1442-W1490 HydrophobicContact CG1-CZ2 3.83Å |
| 1443 | R | 88.1 | Confident | 87.3 | Confident | 115.6 Ų | 115.6 | 43.5 Ų | 43.5 | 44% | 0.436 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.7 | -26.9 | 171.1 | -170.2 | 177.5 | 138.2 | 142.1 | 3.2 | 113.1 | V1439 R1440 Y1441 D1489 | V1439-R1443 WeakPolarHBondContact O-CB 3.27Å; V1439-R1443 PolarHBondContact O-N 3.26Å; R1440-R1443 PolarHBondContact O-N 3.45Å; Y1441-R1443 VanDerWaalsContact C-N 3.28Å; Y1441-R1443 PolarHBondContact O-N 3.13Å; R1443-D1489 IonicContact CZ-OD2 2.94Å; R1443-D1489 IonicContact NH1-OD2 2.81Å; R1443-D1489 PolarHBondContact NH1-OD2 3.09Å; R1443-D1489 IonicContact NH2-OD2 3.24Å; R1443-D1489 PolarHBondContact NH2-OD2 3.1Å |
| 1444 | H | 85.7 | Confident | 87.5 | Confident | 89.2 Ų | 89.2 | 43.4 Ų | 43.4 | 41% | 0.413 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 13.8 | -179 | -60.5 | 88 | 0 | 0 | 0 | 113.6 | V1391 V1393 R1440 Y1441 V1442 | V1391-H1444 HydrophobicContact CB-CB 4.38Å; V1391-H1444 HydrophobicContact CG2-CB 4.37Å; V1391-H1444 WeakPolarHBondContact CG2-ND1 3.42Å; V1393-H1444 HydrophobicContact CG2-CB 4.44Å; R1440-H1444 PolarHBondContact O-CE1 2.92Å; R1440-H1444 PolarHBondContact O-ND1 3.16Å; Y1441-H1444 PolarHBondContact O-N 3.26Å; V1442-H1444 PolarHBondContact O-N 3.13Å |
| 1445 | L | 85.9 | Confident | 87.4 | Confident | 9.2 Ų | 9.2 | 44.3 Ų | 44.3 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | trans | -92.1 | 113 | 176.2 | -68.1 | 178.3 | 0 | 0 | 0 | 111.6 | V1393 T1398 Y1441 V1442 C1447 S1450 I1453 K1454 | V1393-L1445 HydrophobicContact CG1-CD2 3.77Å; V1393-L1445 HydrophobicContact CG2-CD2 4.46Å; T1398-L1445 HydrophobicContact CG2-CD1 4.03Å; T1398-L1445 HydrophobicContact CG2-CD2 4.04Å; Y1441-L1445 HydrophobicContact CD1-CD1 4.28Å; Y1441-L1445 HydrophobicContact CD1-CD2 4.45Å; Y1441-L1445 HydrophobicContact CD1-CG 4.38Å; Y1441-L1445 HydrophobicContact CE1-CD1 4.14Å; Y1441-L1445 HydrophobicContact CE1-CD2 3.84Å; Y1441-L1445 HydrophobicContact CE1-CG 4.2Å; V1442-L1445 HydrophobicContact CB-CD1 4.46Å; V1442-L1445 HydrophobicContact CG2-CD1 4.2Å; V1442-L1445 PolarHBondContact O-N 3.31Å; L1445-C1447 PolarHBondContact O-N 2.89Å; L1445-S1450 VanDerWaalsContact O-CB 3.28Å; L1445-S1450 WeakPolarHBondContact O-CB 3.35Å; L1445-S1450 PolarHBondContact O-OG 3.21Å; L1445-I1453 HydrophobicContact CD1-CD1 3.93Å; L1445-I1453 HydrophobicContact CD1-CG2 4.36Å; L1445-K1454 PolarHBondContact O-NZ 3Å | ||
| 1446 | E | 74.9 | Confident | 87.5 | Confident | 196.4 Ų | 196.4 | 47.1 Ų | 47.1 | 92% | 0.918 | 23% | 0.229 | S | C | * | . | trans | -100.4 | 13.7 | -177.7 | -60.5 | -175.6 | 165.6 | 0 | 0 | 113.7 | ||||
| 1447 | C | 70.2 | Confident | 87.6 | Confident | 62.6 Ų | 62.6 | 45.9 Ų | 45.9 | 42% | 0.423 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -90.9 | 158.6 | 179.4 | 79.3 | 0 | 0 | 0 | 0 | 112.6 | L1445 H1449 S1450 | L1445-C1447 PolarHBondContact O-N 2.89Å; C1447-H1449 PolarHBondContact O-N 3.15Å; C1447-S1450 WeakPolarHBondContact O-CA 3.4Å; C1447-S1450 WeakPolarHBondContact O-CB 3.4Å; C1447-S1450 PolarHBondContact O-N 3.2Å; C1447-S1450 PolarHBondContact O-OG 3.29Å; C1447-S1450 PolarHBondContact SG-N 3.18Å; C1447-S1450 VanDerWaalsContact SG-N 3.4Å |
| 1448 | V | 72.3 | Confident | 87.8 | Confident | 117.8 Ų | 117.8 | 45.9 Ų | 45.9 | 71% | 0.714 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -35.7 | 174.6 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | S1450 L1451 | V1448-S1450 PolarHBondContact O-N 3.06Å; V1448-S1450 VanDerWaalsContact O-N 3.11Å; V1448-L1451 PolarHBondContact O-N 3.37Å |
| 1449 | H | 81.2 | Confident | 87.8 | Confident | 73.2 Ų | 73.2 | 48.4 Ų | 48.4 | 34% | 0.339 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.8 | -17.8 | 175 | -167.3 | 53.5 | 0 | 0 | 0 | 113.5 | E1402 C1447 L1451 Q1452 I1453 | E1402-H1449 IonicContact OE1-CE1 3.14Å; E1402-H1449 IonicContact OE1-NE2 2.81Å; E1402-H1449 PolarHBondContact OE1-NE2 3.25Å; E1402-H1449 IonicContact OE2-CD2 3.52Å; E1402-H1449 IonicContact OE2-CE1 3.25Å; E1402-H1449 IonicContact OE2-NE2 3.6Å; E1402-H1449 PolarHBondContact OE2-NE2 3.28Å; C1447-H1449 PolarHBondContact O-N 3.15Å; H1449-L1451 VanDerWaalsContact C-N 3.26Å; H1449-L1451 PolarHBondContact O-N 3.1Å; H1449-Q1452 PolarHBondContact CE1-OE1 3.31Å; H1449-Q1452 PolarHBondContact O-N 3.23Å; H1449-Q1452 VanDerWaalsContact O-N 3.14Å; H1449-I1453 PolarHBondContact O-N 3.23Å; H1449-I1453 VanDerWaalsContact O-N 3.14Å |
| 1450 | S | 85.3 | Confident | 87.9 | Confident | 9.6 Ų | 9.6 | 48.5 Ų | 48.5 | 7% | 0.067 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.7 | -31.7 | 178.9 | 75.3 | 0 | 0 | 0 | 0 | 112.7 | L1445 C1447 V1448 Q1452 I1453 K1454 | L1445-S1450 VanDerWaalsContact O-CB 3.28Å; L1445-S1450 WeakPolarHBondContact O-CB 3.35Å; L1445-S1450 PolarHBondContact O-OG 3.21Å; C1447-S1450 WeakPolarHBondContact O-CA 3.4Å; C1447-S1450 WeakPolarHBondContact O-CB 3.4Å; C1447-S1450 PolarHBondContact O-N 3.2Å; C1447-S1450 PolarHBondContact O-OG 3.29Å; C1447-S1450 PolarHBondContact SG-N 3.18Å; C1447-S1450 VanDerWaalsContact SG-N 3.4Å; V1448-S1450 PolarHBondContact O-N 3.06Å; V1448-S1450 VanDerWaalsContact O-N 3.11Å; S1450-Q1452 PolarHBondContact O-N 3.01Å; S1450-I1453 PolarHBondContact O-N 3.28Å; S1450-K1454 WeakPolarHBondContact O-CB 3.35Å; S1450-K1454 WeakPolarHBondContact O-CD 3.22Å; S1450-K1454 VanDerWaalsContact O-CG 3.22Å; S1450-K1454 WeakPolarHBondContact O-CG 3.4Å; S1450-K1454 PolarHBondContact O-N 3.24Å; S1450-K1454 PolarHBondContact OG-NZ 3.12Å; S1450-K1454 VanDerWaalsContact OG-NZ 3.11Å |
| 1451 | L | 86 | Confident | 88.1 | Confident | 43.2 Ų | 43.2 | 46.2 Ų | 46.2 | 23% | 0.226 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.6 | -45 | 176 | -77.9 | 164.8 | 0 | 0 | 0 | 111 | V1448 H1449 I1453 K1454 I1455 Q1856 L1860 | V1448-L1451 PolarHBondContact O-N 3.37Å; H1449-L1451 VanDerWaalsContact C-N 3.26Å; H1449-L1451 PolarHBondContact O-N 3.1Å; L1451-I1453 VanDerWaalsContact C-N 3.34Å; L1451-I1453 PolarHBondContact O-N 3.2Å; L1451-K1454 PolarHBondContact O-N 3.19Å; L1451-I1455 HydrophobicContact CD1-CD1 4.33Å; L1451-I1455 HydrophobicContact CG-CD1 4.14Å; L1451-I1455 WeakPolarHBondContact O-CD1 3.38Å; L1451-I1455 VanDerWaalsContact O-CG1 3.31Å; L1451-I1455 WeakPolarHBondContact O-CG1 3.38Å; L1451-I1455 PolarHBondContact O-N 3.2Å; L1451-Q1856 HydrophobicContact CD1-CB 4.03Å; L1451-L1860 HydrophobicContact CD2-CD2 3.75Å |
| 1452 | Q | 89.5 | Confident | 88.2 | Confident | 69.8 Ų | 69.8 | 49.2 Ų | 49.2 | 33% | 0.326 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.4 | -37.9 | 176.8 | -64.5 | -151 | -1.7 | 0 | 0 | 112.1 | H1449 S1450 I1455 K1456 | H1449-Q1452 PolarHBondContact CE1-OE1 3.31Å; H1449-Q1452 PolarHBondContact O-N 3.23Å; H1449-Q1452 VanDerWaalsContact O-N 3.14Å; S1450-Q1452 PolarHBondContact O-N 3.01Å; Q1452-I1455 PolarHBondContact O-N 3.45Å; Q1452-K1456 WeakPolarHBondContact O-CB 3.36Å; Q1452-K1456 VanDerWaalsContact O-CD 3.29Å; Q1452-K1456 WeakPolarHBondContact O-CD 3.24Å; Q1452-K1456 VanDerWaalsContact O-CG 3.28Å; Q1452-K1456 WeakPolarHBondContact O-CG 3.33Å; Q1452-K1456 PolarHBondContact O-N 3.17Å |
| 1453 | I | 92.2 | Very high | 88.2 | Confident | 0.6 Ų | 0.6 | 52.3 Ų | 52.3 | 0% | 0.003 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.5 | -44.3 | 175.1 | -63.5 | 173.3 | 0 | 0 | 0 | 110.4 | T1398 I1405 V1442 L1445 H1449 S1450 L1451 I1455 K1456 V1457 | T1398-I1453 HydrophobicContact CG2-CD1 3.74Å; I1405-I1453 HydrophobicContact CD1-CG2 3.95Å; V1442-I1453 HydrophobicContact CB-CG2 4.47Å; V1442-I1453 HydrophobicContact CG1-CG2 3.98Å; V1442-I1453 HydrophobicContact CG2-CG2 3.6Å; L1445-I1453 HydrophobicContact CD1-CD1 3.93Å; L1445-I1453 HydrophobicContact CD1-CG2 4.36Å; H1449-I1453 PolarHBondContact O-N 3.23Å; H1449-I1453 VanDerWaalsContact O-N 3.14Å; S1450-I1453 PolarHBondContact O-N 3.28Å; L1451-I1453 VanDerWaalsContact C-N 3.34Å; L1451-I1453 PolarHBondContact O-N 3.2Å; I1453-I1455 PolarHBondContact O-N 3.07Å; I1453-K1456 WeakPolarHBondContact O-CB 3.29Å; I1453-K1456 PolarHBondContact O-N 3.03Å; I1453-K1456 VanDerWaalsContact O-N 3.14Å; I1453-V1457 WeakPolarHBondContact O-CG2 3.38Å; I1453-V1457 PolarHBondContact O-N 3.07Å |
| 1454 | K | 92.7 | Very high | 88.4 | Confident | 34.4 Ų | 34.4 | 46.8 Ų | 46.8 | 15% | 0.15 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59 | -46.5 | 175.9 | -72.8 | 163.9 | -179 | 159.1 | 0 | 111.6 | V1442 L1445 S1450 L1451 K1456 V1457 C1458 W1490 L1860 | V1442-K1454 HydrophobicContact CG1-CB 4.49Å; V1442-K1454 HydrophobicContact CG1-CG 3.53Å; V1442-K1454 WeakPolarHBondContact O-CE 3.35Å; L1445-K1454 PolarHBondContact O-NZ 3Å; S1450-K1454 WeakPolarHBondContact O-CB 3.35Å; S1450-K1454 WeakPolarHBondContact O-CD 3.22Å; S1450-K1454 VanDerWaalsContact O-CG 3.22Å; S1450-K1454 WeakPolarHBondContact O-CG 3.4Å; S1450-K1454 PolarHBondContact O-N 3.24Å; S1450-K1454 PolarHBondContact OG-NZ 3.12Å; S1450-K1454 VanDerWaalsContact OG-NZ 3.11Å; L1451-K1454 PolarHBondContact O-N 3.19Å; K1454-K1456 VanDerWaalsContact C-N 3.32Å; K1454-K1456 PolarHBondContact O-N 3.02Å; K1454-V1457 WeakPolarHBondContact O-CB 3.38Å; K1454-V1457 PolarHBondContact O-N 3.23Å; K1454-V1457 VanDerWaalsContact O-N 3.11Å; K1454-C1458 PolarHBondContact O-N 3.16Å; K1454-C1458 PolarHBondContact O-SG 3.04Å; K1454-W1490 HydrophobicContact CB-CD2 4.42Å; K1454-W1490 HydrophobicContact CB-CE3 3.82Å; K1454-W1490 HydrophobicContact CB-CH2 4.27Å; K1454-W1490 HydrophobicContact CB-CZ3 3.72Å; K1454-W1490 HydrophobicContact CD-CD2 4.22Å; K1454-W1490 HydrophobicContact CD-CE3 4.36Å; K1454-W1490 HydrophobicContact CD-CG 4.36Å; K1454-W1490 HydrophobicContact CG-CD2 4.01Å; K1454-W1490 HydrophobicContact CG-CE3 3.86Å; K1454-W1490 HydrophobicContact CG-CH2 3.94Å; K1454-W1490 HydrophobicContact CG-CZ2 4.08Å; K1454-W1490 HydrophobicContact CG-CZ3 3.82Å; K1454-L1860 HydrophobicContact CB-CD1 3.58Å; K1454-L1860 HydrophobicContact CB-CD2 4.31Å; K1454-L1860 HydrophobicContact CD-CD2 4.22Å |
| 1455 | I | 92 | Very high | 88.7 | Confident | 22.8 Ų | 22.8 | 43.6 Ų | 43.6 | 12% | 0.117 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.1 | -44.9 | 173.5 | -68.9 | 160.1 | 0 | 0 | 0 | 111.3 | L1451 Q1452 I1453 V1457 C1458 Q1459 E1859 L1860 A1863 | L1451-I1455 HydrophobicContact CD1-CD1 4.33Å; L1451-I1455 HydrophobicContact CG-CD1 4.14Å; L1451-I1455 WeakPolarHBondContact O-CD1 3.38Å; L1451-I1455 VanDerWaalsContact O-CG1 3.31Å; L1451-I1455 WeakPolarHBondContact O-CG1 3.38Å; L1451-I1455 PolarHBondContact O-N 3.2Å; Q1452-I1455 PolarHBondContact O-N 3.45Å; I1453-I1455 PolarHBondContact O-N 3.07Å; I1455-V1457 VanDerWaalsContact C-N 3.33Å; I1455-V1457 PolarHBondContact O-N 3.18Å; I1455-C1458 PolarHBondContact O-N 3.13Å; I1455-Q1459 WeakPolarHBondContact O-CG 3.37Å; I1455-Q1459 PolarHBondContact O-N 3.27Å; I1455-E1859 HydrophobicContact CD1-CB 4.15Å; I1455-E1859 HydrophobicContact CD1-CG 3.92Å; I1455-L1860 HydrophobicContact CD1-CB 4.34Å; I1455-L1860 HydrophobicContact CG1-CB 4.01Å; I1455-L1860 HydrophobicContact CG1-CD1 4.02Å; I1455-A1863 HydrophobicContact CG1-CB 4.5Å; I1455-A1863 HydrophobicContact CG2-CB 4.3Å |
| 1456 | K | 94.2 | Very high | 88.8 | Confident | 57.8 Ų | 57.8 | 46.9 Ų | 46.9 | 25% | 0.251 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.7 | -36.3 | 176.7 | -70.2 | 162.9 | -170.9 | 166.7 | 0 | 112.4 | E1402 I1405 Q1452 I1453 K1454 Q1459 L1460 | E1402-K1456 IonicContact OE1-NZ 2.98Å; E1402-K1456 PolarHBondContact OE1-NZ 3.13Å; I1405-K1456 HydrophobicContact CG2-CB 3.92Å; Q1452-K1456 WeakPolarHBondContact O-CB 3.36Å; Q1452-K1456 VanDerWaalsContact O-CD 3.29Å; Q1452-K1456 WeakPolarHBondContact O-CD 3.24Å; Q1452-K1456 VanDerWaalsContact O-CG 3.28Å; Q1452-K1456 WeakPolarHBondContact O-CG 3.33Å; Q1452-K1456 PolarHBondContact O-N 3.17Å; I1453-K1456 WeakPolarHBondContact O-CB 3.29Å; I1453-K1456 PolarHBondContact O-N 3.03Å; I1453-K1456 VanDerWaalsContact O-N 3.14Å; K1454-K1456 VanDerWaalsContact C-N 3.32Å; K1454-K1456 PolarHBondContact O-N 3.02Å; K1456-Q1459 PolarHBondContact O-N 3.5Å; K1456-L1460 WeakPolarHBondContact O-CB 3.35Å; K1456-L1460 PolarHBondContact O-N 3.23Å |
| 1457 | V | 95.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67 | -44.6 | 173.2 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | I1405 M1435 I1438 V1439 V1442 I1453 K1454 I1455 Q1459 L1460 V1461 W1490 | I1405-V1457 HydrophobicContact CD1-CG2 3.48Å; I1405-V1457 VanDerWaalsContact CD1-CG2 3.47Å; I1405-V1457 HydrophobicContact CG1-CG2 4.1Å; M1435-V1457 HydrophobicContact CE-CG1 3.86Å; I1438-V1457 HydrophobicContact CG2-CG2 4.13Å; V1439-V1457 HydrophobicContact CG2-CG1 3.92Å; V1442-V1457 HydrophobicContact CG1-CG2 4.46Å; V1442-V1457 HydrophobicContact CG2-CG2 4.15Å; I1453-V1457 WeakPolarHBondContact O-CG2 3.38Å; I1453-V1457 PolarHBondContact O-N 3.07Å; K1454-V1457 WeakPolarHBondContact O-CB 3.38Å; K1454-V1457 PolarHBondContact O-N 3.23Å; K1454-V1457 VanDerWaalsContact O-N 3.11Å; I1455-V1457 VanDerWaalsContact C-N 3.33Å; I1455-V1457 PolarHBondContact O-N 3.18Å; V1457-Q1459 VanDerWaalsContact C-N 3.33Å; V1457-Q1459 PolarHBondContact O-N 3.25Å; V1457-L1460 CarbonylContact O-C 3.56Å; V1457-L1460 WeakPolarHBondContact O-CA 3.36Å; V1457-L1460 WeakPolarHBondContact O-CB 3.38Å; V1457-L1460 PolarHBondContact O-N 3.23Å; V1457-L1460 VanDerWaalsContact O-N 3.1Å; V1457-V1461 HydrophobicContact CG1-CG2 4.36Å; V1457-V1461 WeakPolarHBondContact O-CG2 3.37Å; V1457-V1461 PolarHBondContact O-N 3.25Å; V1457-W1490 HydrophobicContact CB-CH2 4.07Å; V1457-W1490 HydrophobicContact CB-CZ3 4.27Å; V1457-W1490 HydrophobicContact CG1-CH2 3.88Å; V1457-W1490 HydrophobicContact CG1-CZ3 4.26Å; V1457-W1490 HydrophobicContact CG2-CH2 4.48Å |
| 1458 | C | 95.3 | Very high | 90 | Very high | 11.4 Ų | 11.4 | 39.4 Ų | 39.4 | 8% | 0.077 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.7 | -44.7 | 176.4 | -64.2 | 0 | 0 | 0 | 0 | 111.6 | K1454 I1455 L1460 V1461 Q1462 A1863 C1864 A1867 | K1454-C1458 PolarHBondContact O-N 3.16Å; K1454-C1458 PolarHBondContact O-SG 3.04Å; I1455-C1458 PolarHBondContact O-N 3.13Å; C1458-L1460 VanDerWaalsContact C-N 3.27Å; C1458-L1460 PolarHBondContact O-N 3.25Å; C1458-V1461 WeakPolarHBondContact O-CB 3.36Å; C1458-V1461 PolarHBondContact O-N 3.04Å; C1458-V1461 VanDerWaalsContact O-N 3.13Å; C1458-Q1462 WeakPolarHBondContact O-CG 3.42Å; C1458-Q1462 PolarHBondContact O-N 3.12Å; C1458-A1863 HydrophobicContact CB-CB 3.92Å; C1458-A1863 WeakPolarHBondContact CB-O 3.38Å; C1458-C1864 PolarHBondContact SG-SG 3Å; C1458-A1867 HydrophobicContact CB-CB 4.12Å |
| 1459 | Q | 94.8 | Very high | 90.5 | Very high | 54 Ų | 54 | 40.1 Ų | 40.1 | 25% | 0.252 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.1 | -30.9 | 174.9 | -68.4 | 174.4 | 6.8 | 0 | 0 | 112.6 | R1409 I1455 K1456 V1457 K1463 | R1409-Q1459 VanDerWaalsContact CZ-OE1 3.27Å; R1409-Q1459 VanDerWaalsContact NH2-OE1 3.11Å; I1455-Q1459 WeakPolarHBondContact O-CG 3.37Å; I1455-Q1459 PolarHBondContact O-N 3.27Å; K1456-Q1459 PolarHBondContact O-N 3.5Å; V1457-Q1459 VanDerWaalsContact C-N 3.33Å; V1457-Q1459 PolarHBondContact O-N 3.25Å; Q1459-K1463 VanDerWaalsContact O-CG 3.27Å; Q1459-K1463 WeakPolarHBondContact O-CG 3.37Å; Q1459-K1463 PolarHBondContact O-N 3.06Å |
| 1460 | L | 95.3 | Very high | 90.4 | Very high | 0.6 Ų | 0.6 | 38.9 Ų | 38.9 | 0% | 0.003 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69 | -44 | 170.8 | 171.6 | 60.6 | 0 | 0 | 0 | 111.9 | I1405 M1408 R1409 L1412 M1435 K1456 V1457 C1458 Q1462 K1463 M1464 | I1405-L1460 HydrophobicContact CB-CD2 4.44Å; I1405-L1460 HydrophobicContact CG1-CD2 4.41Å; I1405-L1460 HydrophobicContact CG2-CB 4.37Å; I1405-L1460 HydrophobicContact CG2-CD2 4.11Å; M1408-L1460 HydrophobicContact CB-CD1 3.78Å; M1408-L1460 HydrophobicContact CB-CD2 4.08Å; M1408-L1460 HydrophobicContact CE-CD2 4.46Å; M1408-L1460 HydrophobicContact SD-CD2 4.39Å; R1409-L1460 HydrophobicContact CB-CD1 4.14Å; L1412-L1460 HydrophobicContact CD1-CD1 3.78Å; M1435-L1460 HydrophobicContact CE-CB 4.4Å; M1435-L1460 HydrophobicContact CE-CD2 3.96Å; M1435-L1460 HydrophobicContact CE-CG 3.99Å; M1435-L1460 HydrophobicContact SD-CD2 3.73Å; M1435-L1460 HydrophobicContact SD-CG 4.15Å; K1456-L1460 WeakPolarHBondContact O-CB 3.35Å; K1456-L1460 PolarHBondContact O-N 3.23Å; V1457-L1460 CarbonylContact O-C 3.56Å; V1457-L1460 WeakPolarHBondContact O-CA 3.36Å; V1457-L1460 WeakPolarHBondContact O-CB 3.38Å; V1457-L1460 PolarHBondContact O-N 3.23Å; V1457-L1460 VanDerWaalsContact O-N 3.1Å; C1458-L1460 VanDerWaalsContact C-N 3.27Å; C1458-L1460 PolarHBondContact O-N 3.25Å; L1460-Q1462 VanDerWaalsContact C-N 3.33Å; L1460-Q1462 PolarHBondContact O-N 3.15Å; L1460-K1463 PolarHBondContact O-N 3.16Å; L1460-M1464 WeakPolarHBondContact O-CB 3.42Å; L1460-M1464 PolarHBondContact O-N 2.94Å |
| 1461 | V | 95.6 | Very high | 90.3 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | 176.6 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | M1435 V1457 C1458 K1463 M1464 M1465 L1487 A1867 L1871 | M1435-V1461 HydrophobicContact CE-CB 4.44Å; M1435-V1461 HydrophobicContact CE-CG2 3.49Å; V1457-V1461 HydrophobicContact CG1-CG2 4.36Å; V1457-V1461 WeakPolarHBondContact O-CG2 3.37Å; V1457-V1461 PolarHBondContact O-N 3.25Å; C1458-V1461 WeakPolarHBondContact O-CB 3.36Å; C1458-V1461 PolarHBondContact O-N 3.04Å; C1458-V1461 VanDerWaalsContact O-N 3.13Å; V1461-K1463 VanDerWaalsContact C-N 3.35Å; V1461-K1463 PolarHBondContact O-N 3.23Å; V1461-M1464 HydrophobicContact CG1-CE 4.41Å; V1461-M1464 HydrophobicContact CG2-CE 4.42Å; V1461-M1464 PolarHBondContact O-N 3.23Å; V1461-M1465 HydrophobicContact CG1-CG 4.37Å; V1461-M1465 WeakPolarHBondContact O-CB 3.35Å; V1461-M1465 WeakPolarHBondContact O-CG 3.44Å; V1461-M1465 PolarHBondContact O-N 2.94Å; V1461-L1487 HydrophobicContact CG1-CD1 4.39Å; V1461-L1487 HydrophobicContact CG2-CD1 4.44Å; V1461-A1867 HydrophobicContact CB-CB 4.1Å; V1461-A1867 HydrophobicContact CG1-CB 3.97Å; V1461-L1871 HydrophobicContact CG1-CD1 3.81Å; V1461-L1871 HydrophobicContact CG1-CD2 4.15Å; V1461-L1871 HydrophobicContact CG1-CG 3.84Å |
| 1462 | Q | 93.6 | Very high | 90.1 | Very high | 62.6 Ų | 62.6 | 38.4 Ų | 38.4 | 29% | 0.293 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -56.8 | -47.6 | 174.7 | -81.1 | 176 | 21.5 | 0 | 0 | 111.9 | C1458 L1460 M1464 M1465 A1466 A1863 E1866 A1867 | C1458-Q1462 WeakPolarHBondContact O-CG 3.42Å; C1458-Q1462 PolarHBondContact O-N 3.12Å; L1460-Q1462 VanDerWaalsContact C-N 3.33Å; L1460-Q1462 PolarHBondContact O-N 3.15Å; Q1462-M1464 VanDerWaalsContact C-N 3.34Å; Q1462-M1464 PolarHBondContact O-N 3.21Å; Q1462-M1465 PolarHBondContact O-N 2.9Å; Q1462-A1466 VanDerWaalsContact O-CB 3.29Å; Q1462-A1466 WeakPolarHBondContact O-CB 3.31Å; Q1462-A1466 PolarHBondContact O-N 3.1Å; Q1462-A1863 PolarHBondContact NE2-O 3.07Å; Q1462-E1866 HydrophobicContact CG-CB 4.36Å; Q1462-E1866 PolarHBondContact NE2-OE2 3.1Å; Q1462-A1867 HydrophobicContact CG-CB 4.14Å |
| 1463 | K | 91.8 | Very high | 89.8 | Confident | 64.2 Ų | 64.2 | 36.8 Ų | 36.8 | 28% | 0.279 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -68.4 | -33.4 | -179.6 | -65 | -70.9 | 179.8 | 171.4 | 0 | 112.7 | R1409 L1412 D1413 Q1459 L1460 V1461 R1467 | R1409-K1463 HydrophobicContact CG-CG 4.44Å; L1412-K1463 HydrophobicContact CB-CB 4.35Å; D1413-K1463 HydrophobicContact CB-CD 4.41Å; D1413-K1463 VanDerWaalsContact CG-NZ 3.25Å; D1413-K1463 WeakPolarHBondContact OD1-CD 3.37Å; D1413-K1463 VanDerWaalsContact OD1-CE 3.3Å; D1413-K1463 WeakPolarHBondContact OD1-CE 3.32Å; D1413-K1463 IonicContact OD1-NZ 3.24Å; D1413-K1463 PolarHBondContact OD1-NZ 3.08Å; D1413-K1463 WeakPolarHBondContact OD2-CE 3.38Å; D1413-K1463 IonicContact OD2-NZ 2.98Å; D1413-K1463 PolarHBondContact OD2-NZ 3.2Å; D1413-K1463 VanDerWaalsContact OD2-NZ 3.13Å; Q1459-K1463 VanDerWaalsContact O-CG 3.27Å; Q1459-K1463 WeakPolarHBondContact O-CG 3.37Å; Q1459-K1463 PolarHBondContact O-N 3.06Å; L1460-K1463 PolarHBondContact O-N 3.16Å; V1461-K1463 VanDerWaalsContact C-N 3.35Å; V1461-K1463 PolarHBondContact O-N 3.23Å; K1463-R1467 PolarHBondContact O-N 2.91Å |
| 1464 | M | 92.3 | Very high | 89.3 | Confident | 0.6 Ų | 0.6 | 45.5 Ų | 45.5 | 0% | 0.003 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.9 | -48.1 | 172.8 | -179.6 | 179.7 | 64.6 | 0 | 0 | 111.4 | L1412 I1431 M1435 L1460 V1461 Q1462 A1466 R1467 R1468 L1471 F1479 L1483 | L1412-M1464 HydrophobicContact CD1-CB 4.07Å; I1431-M1464 HydrophobicContact CG2-SD 4.24Å; M1435-M1464 HydrophobicContact CE-CE 3.96Å; M1435-M1464 HydrophobicContact CE-SD 4.2Å; M1435-M1464 HydrophobicContact CG-CE 4.23Å; M1435-M1464 HydrophobicContact CG-SD 4.01Å; M1435-M1464 HydrophobicContact SD-SD 4.42Å; L1460-M1464 WeakPolarHBondContact O-CB 3.42Å; L1460-M1464 PolarHBondContact O-N 2.94Å; V1461-M1464 HydrophobicContact CG1-CE 4.41Å; V1461-M1464 HydrophobicContact CG2-CE 4.42Å; V1461-M1464 PolarHBondContact O-N 3.23Å; Q1462-M1464 VanDerWaalsContact C-N 3.34Å; Q1462-M1464 PolarHBondContact O-N 3.21Å; M1464-A1466 VanDerWaalsContact C-N 3.32Å; M1464-A1466 PolarHBondContact O-N 2.77Å; M1464-R1467 CarbonylContact O-C 3.52Å; M1464-R1467 PolarHBondContact O-N 2.9Å; M1464-R1467 VanDerWaalsContact O-N 3.09Å; M1464-R1468 PolarHBondContact O-N 3.24Å; M1464-R1468 VanDerWaalsContact O-N 3.13Å; M1464-L1471 HydrophobicContact CG-CD1 3.78Å; M1464-F1479 HydrophobicContact CE-CE1 3.79Å; M1464-F1479 HydrophobicContact CE-CZ 3.7Å; M1464-F1479 HydrophobicContact SD-CE1 4.14Å; M1464-F1479 HydrophobicContact SD-CZ 3.93Å; M1464-L1483 HydrophobicContact CE-CD1 3.78Å |
| 1465 | M | 91.5 | Very high | 89 | Confident | 21.6 Ų | 21.6 | 48.5 Ų | 48.5 | 11% | 0.106 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.5 | -34.9 | 178.4 | -70.4 | -67.3 | 102.4 | 0 | 0 | 112.6 | V1461 Q1462 R1467 R1468 F1473 F1479 R1480 L1483 A1870 L1871 | V1461-M1465 HydrophobicContact CG1-CG 4.37Å; V1461-M1465 WeakPolarHBondContact O-CB 3.35Å; V1461-M1465 WeakPolarHBondContact O-CG 3.44Å; V1461-M1465 PolarHBondContact O-N 2.94Å; Q1462-M1465 PolarHBondContact O-N 2.9Å; M1465-R1467 PolarHBondContact O-N 2.93Å; M1465-R1467 VanDerWaalsContact O-N 3.11Å; M1465-R1468 HydrophobicContact CE-CB 4.28Å; M1465-R1468 WeakPolarHBondContact O-CB 3.32Å; M1465-R1468 PolarHBondContact O-N 3.18Å; M1465-F1473 HydrophobicContact CE-CE1 4.48Å; M1465-F1473 HydrophobicContact CE-CZ 3.96Å; M1465-F1479 HydrophobicContact CE-CE1 3.97Å; M1465-R1480 HydrophobicContact CE-CG 4.17Å; M1465-R1480 HydrophobicContact SD-CG 4.19Å; M1465-L1483 HydrophobicContact CE-CD1 4.39Å; M1465-A1870 HydrophobicContact CB-CB 4.04Å; M1465-A1870 HydrophobicContact CG-CB 4.47Å; M1465-L1871 HydrophobicContact CE-CD2 4.5Å; M1465-L1871 HydrophobicContact CG-CD2 3.94Å; M1465-L1871 HydrophobicContact CG-CG 4.3Å; M1465-L1871 HydrophobicContact SD-CD2 3.83Å |
| 1466 | A | 89.5 | Confident | 88.8 | Confident | 79 Ų | 79 | 49.5 Ų | 49.5 | 65% | 0.653 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -6.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q1462 M1464 | Q1462-A1466 VanDerWaalsContact O-CB 3.29Å; Q1462-A1466 WeakPolarHBondContact O-CB 3.31Å; Q1462-A1466 PolarHBondContact O-N 3.1Å; M1464-A1466 VanDerWaalsContact C-N 3.32Å; M1464-A1466 PolarHBondContact O-N 2.77Å |
| 1467 | R | 83.7 | Confident | 88.5 | Confident | 35 Ų | 35 | 49.9 Ų | 49.9 | 13% | 0.132 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | 23 | 174.3 | -69.7 | -168.5 | 65.8 | -157.8 | -10.5 | 112.8 | I1411 L1412 K1414 K1463 M1464 M1465 E1469 D1470 L1471 | I1411-R1467 PolarHBondContact O-NH1 3.17Å; L1412-R1467 WeakPolarHBondContact O-CD 3.36Å; L1412-R1467 PolarHBondContact O-NH1 3.03Å; L1412-R1467 VanDerWaalsContact O-NH1 3.11Å; K1414-R1467 PolarHBondContact O-NH1 3.27Å; K1463-R1467 PolarHBondContact O-N 2.91Å; M1464-R1467 CarbonylContact O-C 3.52Å; M1464-R1467 PolarHBondContact O-N 2.9Å; M1464-R1467 VanDerWaalsContact O-N 3.09Å; M1465-R1467 PolarHBondContact O-N 2.93Å; M1465-R1467 VanDerWaalsContact O-N 3.11Å; R1467-E1469 PolarHBondContact O-N 3.27Å; R1467-E1469 VanDerWaalsContact O-N 3.1Å; R1467-D1470 IonicContact CZ-OD2 3.03Å; R1467-D1470 IonicContact NE-OD2 3.64Å; R1467-D1470 PolarHBondContact NE-OD2 3.13Å; R1467-D1470 VanDerWaalsContact NH2-CB 3.35Å; R1467-D1470 VanDerWaalsContact NH2-CG 3.27Å; R1467-D1470 IonicContact NH2-OD1 2.86Å; R1467-D1470 IonicContact NH2-OD2 2.65Å; R1467-D1470 PolarHBondContact NH2-OD2 3.15Å; R1467-D1470 WeakPolarHBondContact O-CB 3.32Å; R1467-D1470 PolarHBondContact O-N 3.13Å; R1467-L1471 WeakPolarHBondContact O-CG 3.37Å |
| 1468 | R | 86.5 | Confident | 88.2 | Confident | 66.4 Ų | 66.4 | 56.7 Ų | 56.7 | 25% | 0.251 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -55.3 | -31.8 | -176.1 | 72.3 | -177.4 | -174.1 | -162.3 | -2.7 | 113.4 | M1464 M1465 D1470 L1471 F1473 H1873 | M1464-R1468 PolarHBondContact O-N 3.24Å; M1464-R1468 VanDerWaalsContact O-N 3.13Å; M1465-R1468 HydrophobicContact CE-CB 4.28Å; M1465-R1468 WeakPolarHBondContact O-CB 3.32Å; M1465-R1468 PolarHBondContact O-N 3.18Å; R1468-D1470 VanDerWaalsContact C-N 3.26Å; R1468-D1470 PolarHBondContact O-N 3.08Å; R1468-L1471 WeakPolarHBondContact O-CB 3.44Å; R1468-L1471 PolarHBondContact O-N 3.09Å; R1468-L1471 VanDerWaalsContact O-N 3.1Å; R1468-F1473 HydrophobicContact CB-CE2 4.01Å; R1468-F1473 HydrophobicContact CB-CZ 4.48Å; R1468-F1473 WeakPolarHBondContact O-CE2 3.33Å; R1468-H1873 PolarHBondContact NH1-O 3.09Å |
| 1469 | E | 81.1 | Confident | 88.1 | Confident | 131.4 Ų | 131.4 | 56.5 Ų | 56.5 | 61% | 0.614 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -70.5 | -18.5 | -179.9 | -36.7 | -61.1 | 170.2 | 0 | 0 | 112.9 | R1467 L1471 | R1467-E1469 PolarHBondContact O-N 3.27Å; R1467-E1469 VanDerWaalsContact O-N 3.1Å; E1469-L1471 VanDerWaalsContact C-N 3.34Å |
| 1470 | D | 79.6 | Confident | 88 | Confident | 48.2 Ų | 48.2 | 54.9 Ų | 54.9 | 26% | 0.258 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -92.4 | 5.3 | 175.4 | -59 | -30.9 | 0 | 0 | 0 | 112.6 | S1423 L1426 R1467 R1468 | S1423-D1470 WeakPolarHBondContact CB-OD1 3.44Å; S1423-D1470 PolarHBondContact OG-OD1 3.22Å; L1426-D1470 WeakPolarHBondContact CB-O 3.36Å; R1467-D1470 IonicContact CZ-OD2 3.03Å; R1467-D1470 IonicContact NE-OD2 3.64Å; R1467-D1470 PolarHBondContact NE-OD2 3.13Å; R1467-D1470 VanDerWaalsContact NH2-CB 3.35Å; R1467-D1470 VanDerWaalsContact NH2-CG 3.27Å; R1467-D1470 IonicContact NH2-OD1 2.86Å; R1467-D1470 IonicContact NH2-OD2 2.65Å; R1467-D1470 PolarHBondContact NH2-OD2 3.15Å; R1467-D1470 WeakPolarHBondContact O-CB 3.32Å; R1467-D1470 PolarHBondContact O-N 3.13Å; R1468-D1470 VanDerWaalsContact C-N 3.26Å; R1468-D1470 PolarHBondContact O-N 3.08Å |
| 1471 | L | 83.7 | Confident | 88 | Confident | 13.4 Ų | 13.4 | 56 Ų | 56 | 7% | 0.07 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -125.9 | 130.2 | -167.1 | -64.2 | -179.6 | 0 | 0 | 0 | 112 | L1412 L1426 I1431 M1464 R1467 R1468 E1469 F1473 | L1412-L1471 HydrophobicContact CD2-CD1 4.33Å; L1412-L1471 HydrophobicContact CD2-CD2 4.25Å; L1426-L1471 HydrophobicContact CB-CD2 4.1Å; L1426-L1471 HydrophobicContact CD1-CD2 4.5Å; L1426-L1471 HydrophobicContact CD2-CD2 3.73Å; L1426-L1471 VanDerWaalsContact CD2-CD2 3.47Å; L1426-L1471 HydrophobicContact CG-CD2 4.04Å; I1431-L1471 HydrophobicContact CD1-CD1 4.36Å; I1431-L1471 HydrophobicContact CD1-CD2 3.7Å; I1431-L1471 HydrophobicContact CG1-CD2 4.47Å; M1464-L1471 HydrophobicContact CG-CD1 3.78Å; R1467-L1471 WeakPolarHBondContact O-CG 3.37Å; R1468-L1471 WeakPolarHBondContact O-CB 3.44Å; R1468-L1471 PolarHBondContact O-N 3.09Å; R1468-L1471 VanDerWaalsContact O-N 3.1Å; E1469-L1471 VanDerWaalsContact C-N 3.34Å; L1471-F1473 HydrophobicContact CB-CD2 4.36Å; L1471-F1473 HydrophobicContact CB-CE2 3.66Å; L1471-F1473 HydrophobicContact CB-CZ 3.9Å; L1471-F1473 HydrophobicContact CD1-CE2 4.41Å; L1471-F1473 HydrophobicContact CD1-CZ 4.02Å; L1471-F1473 VanDerWaalsContact O-CD2 3.27Å; L1471-F1473 WeakPolarHBondContact O-CD2 3.33Å; L1471-F1473 PolarHBondContact O-N 3.14Å |
| 1472 | A | 81.4 | Confident | 87.8 | Confident | 29.8 Ų | 29.8 | 58.7 Ų | 58.7 | 25% | 0.246 | 28% | 0.275 | C | S | . | . | trans | -80 | 112.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | E1427 S1430 | E1427-A1472 WeakPolarHBondContact O-CB 3.43Å; S1430-A1472 WeakPolarHBondContact CA-O 3.38Å | ||
| 1473 | F | 82.8 | Confident | 87.8 | Confident | 35.4 Ų | 35.4 | 55.7 Ų | 55.7 | 16% | 0.155 | 26% | 0.261 | C | S | . | . | trans | -102.4 | 140.8 | 169 | -61 | -78.7 | 0 | 0 | 0 | 110.2 | E1432 M1465 R1468 L1471 E1476 F1479 | E1432-F1473 HydrophobicContact CG-CD1 3.78Å; E1432-F1473 HydrophobicContact CG-CE1 4.38Å; E1432-F1473 WeakPolarHBondContact OE1-CB 3.22Å; M1465-F1473 HydrophobicContact CE-CE1 4.48Å; M1465-F1473 HydrophobicContact CE-CZ 3.96Å; R1468-F1473 HydrophobicContact CB-CE2 4.01Å; R1468-F1473 HydrophobicContact CB-CZ 4.48Å; R1468-F1473 WeakPolarHBondContact O-CE2 3.33Å; L1471-F1473 HydrophobicContact CB-CD2 4.36Å; L1471-F1473 HydrophobicContact CB-CE2 3.66Å; L1471-F1473 HydrophobicContact CB-CZ 3.9Å; L1471-F1473 HydrophobicContact CD1-CE2 4.41Å; L1471-F1473 HydrophobicContact CD1-CZ 4.02Å; L1471-F1473 VanDerWaalsContact O-CD2 3.27Å; L1471-F1473 WeakPolarHBondContact O-CD2 3.33Å; L1471-F1473 PolarHBondContact O-N 3.14Å; F1473-E1476 HydrophobicContact CB-CB 3.65Å; F1473-E1476 HydrophobicContact CB-CG 4.09Å; F1473-E1476 HydrophobicContact CD1-CB 4.45Å; F1473-E1476 HydrophobicContact CD1-CG 4.27Å; F1473-E1476 HydrophobicContact CD2-CB 4.36Å; F1473-E1476 HydrophobicContact CD2-CG 3.88Å; F1473-E1476 HydrophobicContact CE2-CG 4.35Å; F1473-E1476 HydrophobicContact CG-CB 3.95Å; F1473-E1476 HydrophobicContact CG-CG 3.81Å; F1473-F1479 AromaticContact CD1-CD1 3.9Å; F1473-F1479 HydrophobicContact CD1-CD1 3.9Å; F1473-F1479 HydrophobicContact CD1-CE1 4.11Å; F1473-F1479 AromaticContact CE1-CD1 3.78Å; F1473-F1479 HydrophobicContact CE1-CD1 3.78Å; F1473-F1479 AromaticContact CE1-CE1 3.53Å; F1473-F1479 HydrophobicContact CE1-CE1 3.53Å; F1473-F1479 VanDerWaalsContact CE1-CE1 3.44Å; F1473-F1479 HydrophobicContact CE1-CZ 4.41Å; F1473-F1479 HydrophobicContact CZ-CE1 4.42Å | ||
| 1474 | R | 82.9 | Confident | 88 | Confident | 184.4 Ų | 184.4 | 53.5 Ų | 53.5 | 70% | 0.696 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -91 | -33.7 | 172.2 | -64.8 | -178.5 | 169.7 | -160.7 | -4.5 | 111.7 | E1432 | E1432-R1474 VanDerWaalsContact CD-N 3.29Å; E1432-R1474 PolarHBondContact OE1-N 3.17Å; E1432-R1474 WeakPolarHBondContact OE2-CB 3.34Å; E1432-R1474 PolarHBondContact OE2-N 3.14Å |
| 1475 | Q | 85.4 | Confident | 88 | Confident | 97 Ų | 97 | 55.7 Ų | 55.7 | 45% | 0.453 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -144.8 | 55.2 | -178.7 | -62.3 | -170.8 | 7.1 | 0 | 0 | 110.6 | E1432 M1477 R1478 F1479 | E1432-Q1475 PolarHBondContact OE1-N 3.1Å; Q1475-M1477 VanDerWaalsContact C-N 3.33Å; Q1475-M1477 PolarHBondContact O-N 3.07Å; Q1475-M1477 VanDerWaalsContact O-N 3.17Å; Q1475-R1478 HydrophobicContact CB-CB 4.26Å; Q1475-R1478 WeakPolarHBondContact O-CA 3.49Å; Q1475-R1478 WeakPolarHBondContact O-CB 3.47Å; Q1475-R1478 PolarHBondContact O-N 3.06Å; Q1475-F1479 PolarHBondContact O-N 2.92Å |
| 1476 | E | 88.5 | Confident | 88 | Confident | 42.8 Ų | 42.8 | 55.9 Ų | 55.9 | 20% | 0.2 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -46.4 | -48.6 | -171.8 | -165.6 | -151.7 | 154.4 | 0 | 0 | 113.7 | E1432 F1473 R1478 F1479 R1480 | E1432-E1476 PolarHBondContact OE1-N 3.47Å; F1473-E1476 HydrophobicContact CB-CB 3.65Å; F1473-E1476 HydrophobicContact CB-CG 4.09Å; F1473-E1476 HydrophobicContact CD1-CB 4.45Å; F1473-E1476 HydrophobicContact CD1-CG 4.27Å; F1473-E1476 HydrophobicContact CD2-CB 4.36Å; F1473-E1476 HydrophobicContact CD2-CG 3.88Å; F1473-E1476 HydrophobicContact CE2-CG 4.35Å; F1473-E1476 HydrophobicContact CG-CB 3.95Å; F1473-E1476 HydrophobicContact CG-CG 3.81Å; E1476-R1478 VanDerWaalsContact C-N 3.34Å; E1476-R1478 PolarHBondContact O-N 3.14Å; E1476-F1479 CarbonylContact O-C 3.59Å; E1476-F1479 WeakPolarHBondContact O-CB 3.25Å; E1476-F1479 PolarHBondContact O-N 3Å; E1476-R1480 HydrophobicContact CG-CG 4.31Å; E1476-R1480 WeakPolarHBondContact O-CB 3.31Å; E1476-R1480 VanDerWaalsContact O-CG 3.32Å; E1476-R1480 WeakPolarHBondContact O-CG 3.33Å; E1476-R1480 PolarHBondContact O-N 3.35Å; E1476-R1480 WeakPolarHBondContact OE1-CD 3.37Å; E1476-R1480 IonicContact OE1-CZ 3.24Å; E1476-R1480 IonicContact OE1-NE 2.92Å; E1476-R1480 IonicContact OE1-NH1 3.05Å; E1476-R1480 PolarHBondContact OE1-NH1 3.21Å; E1476-R1480 IonicContact OE2-NH1 3.92Å |
| 1477 | M | 88.4 | Confident | 88.2 | Confident | 67.2 Ų | 67.2 | 52.5 Ų | 52.5 | 33% | 0.331 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.8 | -41.2 | -178.1 | -64.6 | -53.7 | -163.8 | 0 | 0 | 112.3 | Q1475 R1480 N1481 G1874 M1875 P1876 | Q1475-M1477 VanDerWaalsContact C-N 3.33Å; Q1475-M1477 PolarHBondContact O-N 3.07Å; Q1475-M1477 VanDerWaalsContact O-N 3.17Å; M1477-R1480 PolarHBondContact O-N 3.49Å; M1477-N1481 WeakPolarHBondContact O-CB 3.33Å; M1477-N1481 PolarHBondContact O-N 3.01Å; M1477-N1481 PolarHBondContact O-ND2 3.26Å; M1477-N1481 PolarHBondContact O-OD1 2.96Å; M1477-G1874 WeakPolarHBondContact CE-O 3.46Å; M1477-M1875 HydrophobicContact SD-CG 4.25Å; M1477-P1876 HydrophobicContact CE-CG 4.27Å; M1477-P1876 HydrophobicContact CG-CG 4.27Å; M1477-P1876 HydrophobicContact SD-CG 4.18Å |
| 1478 | R | 89.5 | Confident | 88.5 | Confident | 142.6 Ų | 142.6 | 51.4 Ų | 51.4 | 54% | 0.538 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.2 | -41.1 | 176.2 | -85.3 | 177.9 | 169.6 | -179.6 | -4.1 | 111.5 | Q1475 E1476 K1482 Q1878 | Q1475-R1478 HydrophobicContact CB-CB 4.26Å; Q1475-R1478 WeakPolarHBondContact O-CA 3.49Å; Q1475-R1478 WeakPolarHBondContact O-CB 3.47Å; Q1475-R1478 PolarHBondContact O-N 3.06Å; E1476-R1478 VanDerWaalsContact C-N 3.34Å; E1476-R1478 PolarHBondContact O-N 3.14Å; R1478-K1482 VanDerWaalsContact O-CB 3.27Å; R1478-K1482 WeakPolarHBondContact O-CB 3.42Å; R1478-K1482 PolarHBondContact O-N 3.09Å; R1478-K1482 VanDerWaalsContact O-N 3.12Å; R1478-Q1878 VanDerWaalsContact CG-OE1 3.24Å |
| 1479 | F | 92.3 | Very high | 88.7 | Confident | 7.2 Ų | 7.2 | 50.6 Ų | 50.6 | 3% | 0.032 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 175 | 169 | -109.5 | 0 | 0 | 0 | 111.8 | E1432 M1435 L1436 M1464 M1465 F1473 Q1475 E1476 K1482 L1483 | E1432-F1479 HydrophobicContact CB-CD2 3.92Å; E1432-F1479 HydrophobicContact CB-CE2 4.18Å; E1432-F1479 HydrophobicContact CB-CG 4.35Å; E1432-F1479 HydrophobicContact CG-CB 4.31Å; E1432-F1479 HydrophobicContact CG-CD1 4.34Å; E1432-F1479 HydrophobicContact CG-CD2 4.06Å; E1432-F1479 HydrophobicContact CG-CE2 4.42Å; E1432-F1479 HydrophobicContact CG-CG 3.99Å; E1432-F1479 WeakPolarHBondContact O-CE2 3.38Å; M1435-F1479 HydrophobicContact CB-CE2 4.01Å; M1435-F1479 HydrophobicContact CB-CZ 3.98Å; M1435-F1479 HydrophobicContact CG-CE2 4.43Å; M1435-F1479 HydrophobicContact CG-CZ 4.21Å; L1436-F1479 HydrophobicContact CD1-CD2 4.06Å; L1436-F1479 HydrophobicContact CD2-CD2 4.08Å; L1436-F1479 HydrophobicContact CD2-CE2 4.27Å; L1436-F1479 HydrophobicContact CG-CD2 3.83Å; L1436-F1479 HydrophobicContact CG-CE2 3.94Å; M1464-F1479 HydrophobicContact CE-CE1 3.79Å; M1464-F1479 HydrophobicContact CE-CZ 3.7Å; M1464-F1479 HydrophobicContact SD-CE1 4.14Å; M1464-F1479 HydrophobicContact SD-CZ 3.93Å; M1465-F1479 HydrophobicContact CE-CE1 3.97Å; F1473-F1479 AromaticContact CD1-CD1 3.9Å; F1473-F1479 HydrophobicContact CD1-CD1 3.9Å; F1473-F1479 HydrophobicContact CD1-CE1 4.11Å; F1473-F1479 AromaticContact CE1-CD1 3.78Å; F1473-F1479 HydrophobicContact CE1-CD1 3.78Å; F1473-F1479 AromaticContact CE1-CE1 3.53Å; F1473-F1479 HydrophobicContact CE1-CE1 3.53Å; F1473-F1479 VanDerWaalsContact CE1-CE1 3.44Å; F1473-F1479 HydrophobicContact CE1-CZ 4.41Å; F1473-F1479 HydrophobicContact CZ-CE1 4.42Å; Q1475-F1479 PolarHBondContact O-N 2.92Å; E1476-F1479 CarbonylContact O-C 3.59Å; E1476-F1479 WeakPolarHBondContact O-CB 3.25Å; E1476-F1479 PolarHBondContact O-N 3Å; F1479-K1482 PolarHBondContact O-N 3.26Å; F1479-L1483 HydrophobicContact CD1-CD1 4.31Å; F1479-L1483 HydrophobicContact CD2-CD1 4.38Å; F1479-L1483 HydrophobicContact CD2-CG 4.45Å; F1479-L1483 HydrophobicContact CE1-CD1 3.71Å; F1479-L1483 HydrophobicContact CE2-CD1 3.78Å; F1479-L1483 HydrophobicContact CE2-CD2 4.5Å; F1479-L1483 HydrophobicContact CE2-CG 4.12Å; F1479-L1483 HydrophobicContact CZ-CD1 3.43Å; F1479-L1483 VanDerWaalsContact CZ-CD1 3.43Å; F1479-L1483 HydrophobicContact CZ-CG 4.28Å; F1479-L1483 WeakPolarHBondContact O-CB 3.45Å; F1479-L1483 WeakPolarHBondContact O-CG 3.47Å; F1479-L1483 PolarHBondContact O-N 3.25Å |
| 1480 | R | 93.8 | Very high | 89 | Confident | 20.2 Ų | 20.2 | 45.2 Ų | 45.2 | 8% | 0.076 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.3 | -48.2 | 177.4 | -73.8 | 169.9 | 59.2 | -176.4 | -3.8 | 112.1 | M1465 E1476 M1477 K1482 L1483 V1484 L1871 H1873 M1875 | M1465-R1480 HydrophobicContact CE-CG 4.17Å; M1465-R1480 HydrophobicContact SD-CG 4.19Å; E1476-R1480 HydrophobicContact CG-CG 4.31Å; E1476-R1480 WeakPolarHBondContact O-CB 3.31Å; E1476-R1480 VanDerWaalsContact O-CG 3.32Å; E1476-R1480 WeakPolarHBondContact O-CG 3.33Å; E1476-R1480 PolarHBondContact O-N 3.35Å; E1476-R1480 WeakPolarHBondContact OE1-CD 3.37Å; E1476-R1480 IonicContact OE1-CZ 3.24Å; E1476-R1480 IonicContact OE1-NE 2.92Å; E1476-R1480 IonicContact OE1-NH1 3.05Å; E1476-R1480 PolarHBondContact OE1-NH1 3.21Å; E1476-R1480 IonicContact OE2-NH1 3.92Å; M1477-R1480 PolarHBondContact O-N 3.49Å; R1480-K1482 VanDerWaalsContact C-N 3.32Å; R1480-K1482 PolarHBondContact O-N 3.13Å; R1480-L1483 PolarHBondContact O-N 3.29Å; R1480-L1483 VanDerWaalsContact O-N 3.17Å; R1480-V1484 WeakPolarHBondContact O-CG2 3.34Å; R1480-V1484 PolarHBondContact O-N 3.34Å; R1480-L1871 HydrophobicContact CB-CD2 4.23Å; R1480-L1871 HydrophobicContact CG-CD2 3.95Å; R1480-L1871 VanDerWaalsContact CZ-O 3.28Å; R1480-L1871 PolarHBondContact NE-O 3.1Å; R1480-L1871 PolarHBondContact NH2-O 3.05Å; R1480-H1873 PolarHBondContact NH2-O 2.98Å; R1480-M1875 VanDerWaalsContact C-SD 3.57Å; R1480-M1875 HydrophobicContact CB-CG 4.23Å; R1480-M1875 HydrophobicContact CB-SD 3.55Å; R1480-M1875 VanDerWaalsContact CB-SD 3.52Å |
| 1481 | N | 93.3 | Very high | 89.2 | Confident | 24.4 Ų | 24.4 | 44.2 Ų | 44.2 | 13% | 0.13 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.7 | -49.2 | 175 | -82.1 | -80.7 | 0 | 0 | 0 | 110.6 | M1477 L1483 V1484 D1485 M1875 P1876 L1877 Q1878 | M1477-N1481 WeakPolarHBondContact O-CB 3.33Å; M1477-N1481 PolarHBondContact O-N 3.01Å; M1477-N1481 PolarHBondContact O-ND2 3.26Å; M1477-N1481 PolarHBondContact O-OD1 2.96Å; N1481-L1483 VanDerWaalsContact C-N 3.32Å; N1481-L1483 PolarHBondContact O-N 3.18Å; N1481-V1484 WeakPolarHBondContact O-CA 3.38Å; N1481-V1484 WeakPolarHBondContact O-CB 3.4Å; N1481-V1484 PolarHBondContact O-N 3.08Å; N1481-V1484 VanDerWaalsContact O-N 3.11Å; N1481-D1485 VanDerWaalsContact O-CG 3.26Å; N1481-D1485 PolarHBondContact O-N 3.08Å; N1481-D1485 VanDerWaalsContact O-N 3.12Å; N1481-M1875 HydrophobicContact CB-CE 4.42Å; N1481-M1875 PolarHBondContact N-SD 3.3Å; N1481-P1876 PolarHBondContact ND2-O 3.11Å; N1481-L1877 WeakPolarHBondContact OD1-CA 3.32Å; N1481-Q1878 PolarHBondContact OD1-N 3.28Å |
| 1482 | K | 92.9 | Very high | 88.8 | Confident | 58.6 Ų | 58.6 | 46.7 Ų | 46.7 | 26% | 0.255 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.3 | -28.3 | -179.3 | -163.1 | 160.9 | -166 | 99.5 | 0 | 114.1 | L1436 R1478 F1479 R1480 D1485 Y1486 E1880 | L1436-K1482 HydrophobicContact CD1-CD 4.4Å; L1436-K1482 HydrophobicContact CD2-CB 4.42Å; L1436-K1482 HydrophobicContact CD2-CD 4.34Å; L1436-K1482 HydrophobicContact CD2-CG 4.29Å; R1478-K1482 VanDerWaalsContact O-CB 3.27Å; R1478-K1482 WeakPolarHBondContact O-CB 3.42Å; R1478-K1482 PolarHBondContact O-N 3.09Å; R1478-K1482 VanDerWaalsContact O-N 3.12Å; F1479-K1482 PolarHBondContact O-N 3.26Å; R1480-K1482 VanDerWaalsContact C-N 3.32Å; R1480-K1482 PolarHBondContact O-N 3.13Å; K1482-D1485 WeakPolarHBondContact CA-OD2 3.39Å; K1482-Y1486 HydrophobicContact CD-CE2 4.44Å; K1482-Y1486 VanDerWaalsContact CE-OH 3.29Å; K1482-Y1486 WeakPolarHBondContact CE-OH 3.3Å; K1482-Y1486 HydrophobicContact CG-CD2 4.39Å; K1482-Y1486 HydrophobicContact CG-CE2 4.01Å; K1482-Y1486 VanDerWaalsContact O-CD2 3.24Å; K1482-Y1486 WeakPolarHBondContact O-CD2 3.36Å; K1482-Y1486 PolarHBondContact O-N 3.12Å; K1482-E1880 IonicContact NZ-OE1 3.21Å; K1482-E1880 PolarHBondContact NZ-OE1 3.24Å; K1482-E1880 IonicContact NZ-OE2 2.96Å; K1482-E1880 PolarHBondContact NZ-OE2 3.27Å |
| 1483 | L | 94.1 | Very high | 88.1 | Confident | 0.8 Ų | 0.8 | 46.7 Ų | 46.7 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72.2 | -38.2 | 169.6 | -77.8 | -178.4 | 0 | 0 | 0 | 112.4 | L1436 V1439 M1464 M1465 F1479 R1480 N1481 Y1486 L1487 L1871 | L1436-L1483 HydrophobicContact CD2-CD2 4.13Å; L1436-L1483 HydrophobicContact CD2-CG 4.37Å; V1439-L1483 HydrophobicContact CB-CD2 4.47Å; V1439-L1483 HydrophobicContact CG2-CD2 3.88Å; M1464-L1483 HydrophobicContact CE-CD1 3.78Å; M1465-L1483 HydrophobicContact CE-CD1 4.39Å; F1479-L1483 HydrophobicContact CD1-CD1 4.31Å; F1479-L1483 HydrophobicContact CD2-CD1 4.38Å; F1479-L1483 HydrophobicContact CD2-CG 4.45Å; F1479-L1483 HydrophobicContact CE1-CD1 3.71Å; F1479-L1483 HydrophobicContact CE2-CD1 3.78Å; F1479-L1483 HydrophobicContact CE2-CD2 4.5Å; F1479-L1483 HydrophobicContact CE2-CG 4.12Å; F1479-L1483 HydrophobicContact CZ-CD1 3.43Å; F1479-L1483 VanDerWaalsContact CZ-CD1 3.43Å; F1479-L1483 HydrophobicContact CZ-CG 4.28Å; F1479-L1483 WeakPolarHBondContact O-CB 3.45Å; F1479-L1483 WeakPolarHBondContact O-CG 3.47Å; F1479-L1483 PolarHBondContact O-N 3.25Å; R1480-L1483 PolarHBondContact O-N 3.29Å; R1480-L1483 VanDerWaalsContact O-N 3.17Å; N1481-L1483 VanDerWaalsContact C-N 3.32Å; N1481-L1483 PolarHBondContact O-N 3.18Å; L1483-Y1486 PolarHBondContact O-N 3.1Å; L1483-L1487 WeakPolarHBondContact O-CB 3.38Å; L1483-L1487 VanDerWaalsContact O-CG 3.25Å; L1483-L1487 WeakPolarHBondContact O-CG 3.36Å; L1483-L1487 PolarHBondContact O-N 3.08Å; L1483-L1871 HydrophobicContact CB-CD1 3.85Å; L1483-L1871 HydrophobicContact CB-CD2 4.17Å; L1483-L1871 HydrophobicContact CD1-CD2 4.05Å |
| 1484 | V | 94.5 | Very high | 87 | Confident | 16.6 Ų | 16.6 | 46.1 Ų | 46.1 | 10% | 0.101 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.8 | -45.4 | 175.7 | 173.4 | 0 | 0 | 0 | 0 | 110.3 | R1480 N1481 Y1486 L1487 C1488 V1868 L1871 L1872 M1875 Y1898 | R1480-V1484 WeakPolarHBondContact O-CG2 3.34Å; R1480-V1484 PolarHBondContact O-N 3.34Å; N1481-V1484 WeakPolarHBondContact O-CA 3.38Å; N1481-V1484 WeakPolarHBondContact O-CB 3.4Å; N1481-V1484 PolarHBondContact O-N 3.08Å; N1481-V1484 VanDerWaalsContact O-N 3.11Å; V1484-Y1486 PolarHBondContact O-N 3.13Å; V1484-L1487 PolarHBondContact O-N 3.34Å; V1484-L1487 VanDerWaalsContact O-N 3.09Å; V1484-C1488 VanDerWaalsContact O-CB 3.27Å; V1484-C1488 WeakPolarHBondContact O-CB 3.42Å; V1484-C1488 PolarHBondContact O-N 3.08Å; V1484-C1488 PolarHBondContact O-SG 3.31Å; V1484-C1488 VanDerWaalsContact O-SG 3.36Å; V1484-V1868 HydrophobicContact CG1-CG1 4.4Å; V1484-L1871 HydrophobicContact CG2-CB 3.65Å; V1484-L1871 HydrophobicContact CG2-CD1 3.92Å; V1484-L1871 HydrophobicContact CG2-CG 4.38Å; V1484-L1872 HydrophobicContact CG1-CD2 4.38Å; V1484-L1872 HydrophobicContact CG2-CD2 4.21Å; V1484-L1872 HydrophobicContact CG2-CG 4.46Å; V1484-M1875 HydrophobicContact CG2-CE 4.2Å; V1484-M1875 HydrophobicContact CG2-SD 4.21Å; V1484-Y1898 HydrophobicContact CG1-CD1 4.3Å; V1484-Y1898 HydrophobicContact CG1-CE1 3.79Å; V1484-Y1898 HydrophobicContact CG1-CE2 4.27Å |
| 1485 | D | 92.1 | Very high | 85.5 | Confident | 47 Ų | 47 | 39.4 Ų | 39.4 | 25% | 0.251 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -54.6 | -52 | 174.3 | -81.8 | -47.6 | 0 | 0 | 0 | 112.2 | N1481 K1482 L1487 C1488 D1489 K1897 Y1898 | N1481-D1485 VanDerWaalsContact O-CG 3.26Å; N1481-D1485 PolarHBondContact O-N 3.08Å; N1481-D1485 VanDerWaalsContact O-N 3.12Å; K1482-D1485 WeakPolarHBondContact CA-OD2 3.39Å; D1485-L1487 VanDerWaalsContact C-N 3.3Å; D1485-L1487 PolarHBondContact O-N 3.17Å; D1485-C1488 PolarHBondContact O-N 3.17Å; D1485-D1489 PolarHBondContact O-N 3.08Å; D1485-K1897 IonicContact OD1-NZ 2.77Å; D1485-K1897 PolarHBondContact OD1-NZ 3.37Å; D1485-Y1898 PolarHBondContact N-OH 3.12Å; D1485-Y1898 WeakPolarHBondContact OD1-CE1 3.49Å; D1485-Y1898 PolarHBondContact OD1-OH 3.27Å; D1485-Y1898 VanDerWaalsContact OD1-OH 3.12Å; D1485-Y1898 PolarHBondContact OD2-OH 2.91Å |
| 1486 | Y | 92 | Very high | 83.5 | Confident | 26.2 Ų | 26.2 | 42 Ų | 42 | 10% | 0.103 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.1 | -28 | -179.1 | -68.9 | -35.8 | 0 | 0 | 0 | 114.4 | L1436 V1439 R1440 K1482 L1483 V1484 W1490 | L1436-Y1486 HydrophobicContact CD2-CD2 4.45Å; L1436-Y1486 HydrophobicContact CD2-CE2 4.03Å; V1439-Y1486 HydrophobicContact CB-CD2 4.32Å; V1439-Y1486 VanDerWaalsContact CG1-CB 3.45Å; V1439-Y1486 HydrophobicContact CG1-CD1 4.43Å; V1439-Y1486 HydrophobicContact CG1-CD2 3.57Å; V1439-Y1486 VanDerWaalsContact CG1-CD2 3.44Å; V1439-Y1486 HydrophobicContact CG1-CE2 4.39Å; V1439-Y1486 HydrophobicContact CG1-CG 3.78Å; R1440-Y1486 VanDerWaalsContact CD-OH 3.27Å; R1440-Y1486 WeakPolarHBondContact CD-OH 3.4Å; R1440-Y1486 HydrophobicContact CG-CE1 4.34Å; R1440-Y1486 HydrophobicContact CG-CE2 4.22Å; R1440-Y1486 VanDerWaalsContact CG-OH 3.25Å; R1440-Y1486 WeakPolarHBondContact CG-OH 3.45Å; R1440-Y1486 PolarHBondContact NE-OH 3.09Å; K1482-Y1486 HydrophobicContact CD-CE2 4.44Å; K1482-Y1486 VanDerWaalsContact CE-OH 3.29Å; K1482-Y1486 WeakPolarHBondContact CE-OH 3.3Å; K1482-Y1486 HydrophobicContact CG-CD2 4.39Å; K1482-Y1486 HydrophobicContact CG-CE2 4.01Å; K1482-Y1486 VanDerWaalsContact O-CD2 3.24Å; K1482-Y1486 WeakPolarHBondContact O-CD2 3.36Å; K1482-Y1486 PolarHBondContact O-N 3.12Å; L1483-Y1486 PolarHBondContact O-N 3.1Å; V1484-Y1486 PolarHBondContact O-N 3.13Å; Y1486-W1490 PolarHBondContact O-NE1 3.07Å |
| 1487 | L | 93.3 | Very high | 81.4 | Confident | 7.6 Ų | 7.6 | 46.9 Ų | 46.9 | 4% | 0.04 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -83 | -36.3 | 176.4 | -68.8 | 177.7 | 0 | 0 | 0 | 111.9 | V1461 L1483 V1484 D1485 D1489 W1490 I1491 C1864 A1867 V1868 L1871 | V1461-L1487 HydrophobicContact CG1-CD1 4.39Å; V1461-L1487 HydrophobicContact CG2-CD1 4.44Å; L1483-L1487 WeakPolarHBondContact O-CB 3.38Å; L1483-L1487 VanDerWaalsContact O-CG 3.25Å; L1483-L1487 WeakPolarHBondContact O-CG 3.36Å; L1483-L1487 PolarHBondContact O-N 3.08Å; V1484-L1487 PolarHBondContact O-N 3.34Å; V1484-L1487 VanDerWaalsContact O-N 3.09Å; D1485-L1487 VanDerWaalsContact C-N 3.3Å; D1485-L1487 PolarHBondContact O-N 3.17Å; L1487-D1489 VanDerWaalsContact C-N 3.3Å; L1487-D1489 PolarHBondContact O-N 2.91Å; L1487-W1490 HydrophobicContact CD2-CD2 4.36Å; L1487-W1490 HydrophobicContact CD2-CE3 3.66Å; L1487-W1490 HydrophobicContact CD2-CH2 4.22Å; L1487-W1490 HydrophobicContact CD2-CZ3 3.58Å; L1487-W1490 WeakPolarHBondContact O-CB 3.38Å; L1487-W1490 PolarHBondContact O-N 3Å; L1487-W1490 VanDerWaalsContact O-N 3.09Å; L1487-I1491 PolarHBondContact O-N 3.03Å; L1487-C1864 PolarHBondContact O-SG 2.79Å; L1487-A1867 HydrophobicContact CD1-CB 3.92Å; L1487-V1868 HydrophobicContact CB-CG2 3.76Å; L1487-V1868 HydrophobicContact CD1-CG2 4.1Å; L1487-L1871 HydrophobicContact CD1-CD1 3.68Å |
| 1488 | C | 91.6 | Very high | 79.3 | Confident | 11.8 Ų | 11.8 | 46.8 Ų | 46.8 | 8% | 0.08 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.5 | -36.5 | 172 | -74.1 | 0 | 0 | 0 | 0 | 112 | V1484 D1485 W1490 I1491 M1492 Y1898 L1901 | V1484-C1488 VanDerWaalsContact O-CB 3.27Å; V1484-C1488 WeakPolarHBondContact O-CB 3.42Å; V1484-C1488 PolarHBondContact O-N 3.08Å; V1484-C1488 PolarHBondContact O-SG 3.31Å; V1484-C1488 VanDerWaalsContact O-SG 3.36Å; D1485-C1488 PolarHBondContact O-N 3.17Å; C1488-W1490 PolarHBondContact O-N 3.22Å; C1488-I1491 PolarHBondContact O-N 2.92Å; C1488-I1491 VanDerWaalsContact O-N 3.17Å; C1488-M1492 HydrophobicContact CB-CE 4.39Å; C1488-M1492 WeakPolarHBondContact O-CG 3.41Å; C1488-M1492 PolarHBondContact O-N 3.11Å; C1488-M1492 VanDerWaalsContact O-N 3.1Å; C1488-Y1898 HydrophobicContact CB-CD1 4.42Å; C1488-Y1898 HydrophobicContact CB-CE1 4.18Å; C1488-L1901 HydrophobicContact CB-CD2 3.64Å |
| 1489 | D | 89 | Confident | 76.8 | Confident | 49.4 Ų | 49.4 | 44.7 Ų | 44.7 | 26% | 0.264 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -54.4 | -37.1 | 170.5 | -80 | -10.8 | 0 | 0 | 0 | 112.5 | R1443 D1485 L1487 M1492 G1493 | R1443-D1489 IonicContact CZ-OD2 2.94Å; R1443-D1489 IonicContact NH1-OD2 2.81Å; R1443-D1489 PolarHBondContact NH1-OD2 3.09Å; R1443-D1489 IonicContact NH2-OD2 3.24Å; R1443-D1489 PolarHBondContact NH2-OD2 3.1Å; D1485-D1489 PolarHBondContact O-N 3.08Å; L1487-D1489 VanDerWaalsContact C-N 3.3Å; L1487-D1489 PolarHBondContact O-N 2.91Å; D1489-M1492 WeakPolarHBondContact OD1-CE 3.37Å; D1489-G1493 PolarHBondContact O-N 3.08Å |
| 1490 | W | 88.8 | Confident | 74.2 | Confident | 19.4 Ų | 19.4 | 50.3 Ų | 50.3 | 7% | 0.073 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -73.4 | -36.6 | -179.8 | -63.1 | -4.9 | 0 | 0 | 0 | 112.4 | V1439 V1442 K1454 V1457 Y1486 L1487 C1488 G1493 S1494 L1860 | V1439-W1490 HydrophobicContact CG1-CH2 4.44Å; V1439-W1490 HydrophobicContact CG1-CZ2 4.15Å; V1442-W1490 HydrophobicContact CB-CH2 4.42Å; V1442-W1490 HydrophobicContact CB-CZ2 4.29Å; V1442-W1490 HydrophobicContact CG1-CH2 3.85Å; V1442-W1490 HydrophobicContact CG1-CZ2 3.83Å; K1454-W1490 HydrophobicContact CB-CD2 4.42Å; K1454-W1490 HydrophobicContact CB-CE3 3.82Å; K1454-W1490 HydrophobicContact CB-CH2 4.27Å; K1454-W1490 HydrophobicContact CB-CZ3 3.72Å; K1454-W1490 HydrophobicContact CD-CD2 4.22Å; K1454-W1490 HydrophobicContact CD-CE3 4.36Å; K1454-W1490 HydrophobicContact CD-CG 4.36Å; K1454-W1490 HydrophobicContact CG-CD2 4.01Å; K1454-W1490 HydrophobicContact CG-CE3 3.86Å; K1454-W1490 HydrophobicContact CG-CH2 3.94Å; K1454-W1490 HydrophobicContact CG-CZ2 4.08Å; K1454-W1490 HydrophobicContact CG-CZ3 3.82Å; V1457-W1490 HydrophobicContact CB-CH2 4.07Å; V1457-W1490 HydrophobicContact CB-CZ3 4.27Å; V1457-W1490 HydrophobicContact CG1-CH2 3.88Å; V1457-W1490 HydrophobicContact CG1-CZ3 4.26Å; V1457-W1490 HydrophobicContact CG2-CH2 4.48Å; Y1486-W1490 PolarHBondContact O-NE1 3.07Å; L1487-W1490 HydrophobicContact CD2-CD2 4.36Å; L1487-W1490 HydrophobicContact CD2-CE3 3.66Å; L1487-W1490 HydrophobicContact CD2-CH2 4.22Å; L1487-W1490 HydrophobicContact CD2-CZ3 3.58Å; L1487-W1490 WeakPolarHBondContact O-CB 3.38Å; L1487-W1490 PolarHBondContact O-N 3Å; L1487-W1490 VanDerWaalsContact O-N 3.09Å; C1488-W1490 PolarHBondContact O-N 3.22Å; W1490-G1493 CarbonylContact O-C 3.6Å; W1490-G1493 VanDerWaalsContact O-CA 3.26Å; W1490-G1493 WeakPolarHBondContact O-CA 3.44Å; W1490-G1493 PolarHBondContact O-N 3.17Å; W1490-G1493 VanDerWaalsContact O-N 3.15Å; W1490-S1494 PolarHBondContact O-N 2.98Å; W1490-S1494 VanDerWaalsContact O-N 3.11Å; W1490-S1494 PolarHBondContact O-OG 3.3Å; W1490-L1860 HydrophobicContact CE3-CD1 4.37Å |
| 1491 | I | 83.7 | Confident | 71.6 | Confident | 27 Ų | 27 | 51.2 Ų | 51.2 | 14% | 0.138 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 175.3 | -60.4 | 167 | 0 | 0 | 0 | 110.1 | L1487 C1488 G1493 S1494 S1495 C1864 M1865 L1901 L1905 | L1487-I1491 PolarHBondContact O-N 3.03Å; C1488-I1491 PolarHBondContact O-N 2.92Å; C1488-I1491 VanDerWaalsContact O-N 3.17Å; I1491-G1493 VanDerWaalsContact C-N 3.28Å; I1491-G1493 PolarHBondContact O-N 3.03Å; I1491-S1494 WeakPolarHBondContact O-CB 3.35Å; I1491-S1494 PolarHBondContact O-N 3.1Å; I1491-S1495 PolarHBondContact O-OG 3.33Å; I1491-C1864 HydrophobicContact CD1-CB 4.08Å; I1491-C1864 HydrophobicContact CG1-CB 3.88Å; I1491-M1865 HydrophobicContact CD1-CG 4.08Å; I1491-M1865 HydrophobicContact CD1-SD 3.44Å; I1491-M1865 WeakPolarHBondContact CD1-SD 3.38Å; I1491-L1901 HydrophobicContact CG2-CD1 4.29Å; I1491-L1905 HydrophobicContact CG2-CD2 4.2Å |
| 1492 | M | 74.7 | Confident | 69 | Low | 65.6 Ų | 65.6 | 53.5 Ų | 53.5 | 32% | 0.323 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 174.6 | -66.7 | -175.2 | -66.2 | 0 | 0 | 111.5 | C1488 D1489 S1494 S1495 Y1496 L1901 | C1488-M1492 HydrophobicContact CB-CE 4.39Å; C1488-M1492 WeakPolarHBondContact O-CG 3.41Å; C1488-M1492 PolarHBondContact O-N 3.11Å; C1488-M1492 VanDerWaalsContact O-N 3.1Å; D1489-M1492 WeakPolarHBondContact OD1-CE 3.37Å; M1492-S1494 VanDerWaalsContact C-N 3.33Å; M1492-S1494 PolarHBondContact O-N 3.02Å; M1492-S1494 VanDerWaalsContact O-N 3.11Å; M1492-S1495 VanDerWaalsContact O-CB 3.28Å; M1492-S1495 WeakPolarHBondContact O-CB 3.41Å; M1492-S1495 PolarHBondContact O-N 3Å; M1492-Y1496 HydrophobicContact CB-CE2 4.45Å; M1492-Y1496 WeakPolarHBondContact O-CD1 3.11Å; M1492-Y1496 VanDerWaalsContact O-CD2 3.29Å; M1492-Y1496 WeakPolarHBondContact O-CD2 3.43Å; M1492-Y1496 VanDerWaalsContact O-CE1 3.24Å; M1492-Y1496 WeakPolarHBondContact O-CE1 3.38Å; M1492-Y1496 WeakPolarHBondContact O-CE2 3.4Å; M1492-L1901 HydrophobicContact CG-CD1 3.57Å; M1492-L1901 HydrophobicContact CG-CD2 4.16Å; M1492-L1901 HydrophobicContact CG-CG 4.48Å; M1492-L1901 HydrophobicContact SD-CD1 4.43Å; M1492-L1901 HydrophobicContact SD-CD2 4.49Å |
| 1493 | G | 66.3 | Low | 66.2 | Low | 30.4 Ų | 30.4 | 56.9 Ų | 56.9 | 31% | 0.313 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.4 | -38.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1489 W1490 I1491 S1495 Y1496 | D1489-G1493 PolarHBondContact O-N 3.08Å; W1490-G1493 CarbonylContact O-C 3.6Å; W1490-G1493 VanDerWaalsContact O-CA 3.26Å; W1490-G1493 WeakPolarHBondContact O-CA 3.44Å; W1490-G1493 PolarHBondContact O-N 3.17Å; W1490-G1493 VanDerWaalsContact O-N 3.15Å; I1491-G1493 VanDerWaalsContact C-N 3.28Å; I1491-G1493 PolarHBondContact O-N 3.03Å; G1493-S1495 VanDerWaalsContact C-N 3.33Å; G1493-S1495 PolarHBondContact O-N 2.92Å; G1493-Y1496 VanDerWaalsContact CA-CE1 3.42Å; G1493-Y1496 WeakPolarHBondContact O-CE1 3.48Å; G1493-Y1496 WeakPolarHBondContact O-CE2 3.32Å; G1493-Y1496 PolarHBondContact O-N 3.39Å |
| 1494 | S | 59.6 | Low | 63.5 | Low | 21.4 Ų | 21.4 | 61.6 Ų | 61.6 | 15% | 0.15 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.4 | -41.5 | 179 | -65.9 | 0 | 0 | 0 | 0 | 112.9 | W1490 I1491 M1492 Y1496 H1497 L1498 T1857 D1861 | W1490-S1494 PolarHBondContact O-N 2.98Å; W1490-S1494 VanDerWaalsContact O-N 3.11Å; W1490-S1494 PolarHBondContact O-OG 3.3Å; I1491-S1494 WeakPolarHBondContact O-CB 3.35Å; I1491-S1494 PolarHBondContact O-N 3.1Å; M1492-S1494 VanDerWaalsContact C-N 3.33Å; M1492-S1494 PolarHBondContact O-N 3.02Å; M1492-S1494 VanDerWaalsContact O-N 3.11Å; S1494-Y1496 VanDerWaalsContact C-N 3.32Å; S1494-Y1496 PolarHBondContact O-N 3.1Å; S1494-H1497 PolarHBondContact O-N 3.23Å; S1494-L1498 PolarHBondContact O-N 2.96Å; S1494-T1857 VanDerWaalsContact CB-CG2 3.42Å; S1494-T1857 WeakPolarHBondContact OG-CG2 3.38Å; S1494-D1861 VanDerWaalsContact CB-OD1 3.26Å; S1494-D1861 WeakPolarHBondContact CB-OD1 3.4Å; S1494-D1861 PolarHBondContact OG-OD1 3.08Å |
| 1495 | S | 51.1 | Low | 60.7 | Low | 44.2 Ų | 44.2 | 65.7 Ų | 65.7 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.9 | -28.2 | -169.9 | -54.5 | 0 | 0 | 0 | 0 | 114 | I1491 M1492 G1493 N1499 | I1491-S1495 PolarHBondContact O-OG 3.33Å; M1492-S1495 VanDerWaalsContact O-CB 3.28Å; M1492-S1495 WeakPolarHBondContact O-CB 3.41Å; M1492-S1495 PolarHBondContact O-N 3Å; G1493-S1495 VanDerWaalsContact C-N 3.33Å; G1493-S1495 PolarHBondContact O-N 2.92Å; S1495-N1499 PolarHBondContact O-N 3.05Å; S1495-N1499 VanDerWaalsContact O-N 3.1Å; S1495-N1499 PolarHBondContact O-ND2 3.1Å; S1495-N1499 VanDerWaalsContact O-ND2 3.15Å |
| 1496 | Y | 43.7 | Very low | 57.9 | Low | 151.8 Ų | 151.8 | 72.3 Ų | 72.3 | 60% | 0.595 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -73.5 | -40 | -179.9 | -32.4 | -65.3 | 0 | 0 | 0 | 112.3 | M1492 G1493 S1494 L1498 N1499 L1500 | M1492-Y1496 HydrophobicContact CB-CE2 4.45Å; M1492-Y1496 WeakPolarHBondContact O-CD1 3.11Å; M1492-Y1496 VanDerWaalsContact O-CD2 3.29Å; M1492-Y1496 WeakPolarHBondContact O-CD2 3.43Å; M1492-Y1496 VanDerWaalsContact O-CE1 3.24Å; M1492-Y1496 WeakPolarHBondContact O-CE1 3.38Å; M1492-Y1496 WeakPolarHBondContact O-CE2 3.4Å; G1493-Y1496 VanDerWaalsContact CA-CE1 3.42Å; G1493-Y1496 WeakPolarHBondContact O-CE1 3.48Å; G1493-Y1496 WeakPolarHBondContact O-CE2 3.32Å; G1493-Y1496 PolarHBondContact O-N 3.39Å; S1494-Y1496 VanDerWaalsContact C-N 3.32Å; S1494-Y1496 PolarHBondContact O-N 3.1Å; Y1496-L1498 VanDerWaalsContact C-N 3.33Å; Y1496-L1498 PolarHBondContact O-N 3.05Å; Y1496-N1499 PolarHBondContact O-N 3.26Å; Y1496-L1500 PolarHBondContact O-N 3.1Å; Y1496-L1500 VanDerWaalsContact O-N 3.11Å |
| 1497 | H | 45.7 | Very low | 55.2 | Low | 145.2 Ų | 145.2 | 78.4 Ų | 78.4 | 67% | 0.672 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -68.8 | -34.2 | -179.5 | -115 | -77 | 0 | 0 | 0 | 112.3 | S1494 S1501 | S1494-H1497 PolarHBondContact O-N 3.23Å; H1497-S1501 WeakPolarHBondContact O-CB 3.4Å; H1497-S1501 PolarHBondContact O-N 3.17Å; H1497-S1501 PolarHBondContact O-OG 2.69Å |
| 1498 | L | 44.2 | Very low | 52.3 | Low | 65.4 Ų | 65.4 | 81.2 Ų | 81.2 | 34% | 0.342 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.7 | -45.3 | 173.3 | -74 | 167 | 0 | 0 | 0 | 111.6 | S1494 Y1496 L1500 S1501 V1502 A1854 T1857 | S1494-L1498 PolarHBondContact O-N 2.96Å; Y1496-L1498 VanDerWaalsContact C-N 3.33Å; Y1496-L1498 PolarHBondContact O-N 3.05Å; L1498-L1500 VanDerWaalsContact C-N 3.34Å; L1498-L1500 PolarHBondContact O-N 3.05Å; L1498-S1501 WeakPolarHBondContact O-CB 3.43Å; L1498-S1501 PolarHBondContact O-N 2.97Å; L1498-S1501 VanDerWaalsContact O-N 3.1Å; L1498-S1501 PolarHBondContact O-OG 3.25Å; L1498-V1502 VanDerWaalsContact O-CG2 3.28Å; L1498-V1502 WeakPolarHBondContact O-CG2 3.28Å; L1498-V1502 PolarHBondContact O-N 3.07Å; L1498-V1502 VanDerWaalsContact O-N 3.14Å; L1498-A1854 HydrophobicContact CD2-CB 3.97Å; L1498-T1857 HydrophobicContact CD1-CG2 4.19Å; L1498-T1857 HydrophobicContact CD2-CG2 4.49Å; L1498-T1857 HydrophobicContact CG-CG2 4.14Å |
| 1499 | N | 36.2 | Very low | 49.5 | Very low | 97.8 Ų | 97.8 | 87 Ų | 87 | 52% | 0.523 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.2 | -40.6 | -179.9 | -89.8 | -76.1 | 0 | 0 | 0 | 113.4 | S1495 Y1496 S1501 V1502 Q1503 | S1495-N1499 PolarHBondContact O-N 3.05Å; S1495-N1499 VanDerWaalsContact O-N 3.1Å; S1495-N1499 PolarHBondContact O-ND2 3.1Å; S1495-N1499 VanDerWaalsContact O-ND2 3.15Å; Y1496-N1499 PolarHBondContact O-N 3.26Å; N1499-S1501 VanDerWaalsContact C-N 3.29Å; N1499-S1501 PolarHBondContact O-N 3.01Å; N1499-V1502 PolarHBondContact O-N 3.2Å; N1499-Q1503 WeakPolarHBondContact O-CB 3.3Å; N1499-Q1503 WeakPolarHBondContact O-CG 3.21Å; N1499-Q1503 PolarHBondContact O-N 3.01Å; N1499-Q1503 VanDerWaalsContact O-N 3.08Å |
| 1500 | L | 38.5 | Very low | 46.8 | Very low | 125.4 Ų | 125.4 | 92.2 Ų | 92.2 | 66% | 0.657 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.4 | -35.6 | 176 | -113.7 | 69 | 0 | 0 | 0 | 112.8 | Y1496 L1498 V1502 Q1503 T1504 | Y1496-L1500 PolarHBondContact O-N 3.1Å; Y1496-L1500 VanDerWaalsContact O-N 3.11Å; L1498-L1500 VanDerWaalsContact C-N 3.34Å; L1498-L1500 PolarHBondContact O-N 3.05Å; L1500-V1502 VanDerWaalsContact C-N 3.34Å; L1500-V1502 PolarHBondContact O-N 3.26Å; L1500-Q1503 PolarHBondContact O-N 3.18Å; L1500-T1504 PolarHBondContact O-N 3.3Å; L1500-T1504 VanDerWaalsContact O-N 3.09Å; L1500-T1504 PolarHBondContact O-OG1 2.99Å; L1500-T1504 VanDerWaalsContact O-OG1 3.1Å |
| 1501 | S | 37.7 | Very low | 44.2 | Very low | 39.6 Ų | 39.6 | 96.3 Ų | 96.3 | 28% | 0.277 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -73.8 | -25 | 178.8 | 72.5 | 0 | 0 | 0 | 0 | 113.7 | H1497 L1498 N1499 T1504 N1505 | H1497-S1501 WeakPolarHBondContact O-CB 3.4Å; H1497-S1501 PolarHBondContact O-N 3.17Å; H1497-S1501 PolarHBondContact O-OG 2.69Å; L1498-S1501 WeakPolarHBondContact O-CB 3.43Å; L1498-S1501 PolarHBondContact O-N 2.97Å; L1498-S1501 VanDerWaalsContact O-N 3.1Å; L1498-S1501 PolarHBondContact O-OG 3.25Å; N1499-S1501 VanDerWaalsContact C-N 3.29Å; N1499-S1501 PolarHBondContact O-N 3.01Å; S1501-T1504 PolarHBondContact O-OG1 3.31Å; S1501-N1505 PolarHBondContact O-ND2 3.1Å |
| 1502 | V | 40 | Very low | 41.8 | Very low | 72 Ų | 72 | 102.2 Ų | 102.2 | 44% | 0.436 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -80.1 | -41.6 | 179.1 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | L1498 N1499 L1500 T1504 N1505 Y1506 | L1498-V1502 VanDerWaalsContact O-CG2 3.28Å; L1498-V1502 WeakPolarHBondContact O-CG2 3.28Å; L1498-V1502 PolarHBondContact O-N 3.07Å; L1498-V1502 VanDerWaalsContact O-N 3.14Å; N1499-V1502 PolarHBondContact O-N 3.2Å; L1500-V1502 VanDerWaalsContact C-N 3.34Å; L1500-V1502 PolarHBondContact O-N 3.26Å; V1502-T1504 VanDerWaalsContact C-N 3.29Å; V1502-T1504 PolarHBondContact O-N 3.07Å; V1502-T1504 VanDerWaalsContact O-N 3.15Å; V1502-N1505 PolarHBondContact O-N 2.87Å; V1502-N1505 VanDerWaalsContact O-N 3.1Å; V1502-Y1506 HydrophobicContact CG1-CD2 4.15Å; V1502-Y1506 HydrophobicContact CG1-CE2 3.83Å; V1502-Y1506 WeakPolarHBondContact O-CD2 3.37Å; V1502-Y1506 PolarHBondContact O-N 3.07Å |
| 1503 | Q | 32.5 | Very low | 39.9 | Very low | 129.6 Ų | 129.6 | 102.5 Ų | 102.5 | 61% | 0.606 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.6 | -30.2 | -178.4 | -71.3 | -175.6 | -5.4 | 0 | 0 | 113.4 | N1499 L1500 N1505 Y1506 L1507 | N1499-Q1503 WeakPolarHBondContact O-CB 3.3Å; N1499-Q1503 WeakPolarHBondContact O-CG 3.21Å; N1499-Q1503 PolarHBondContact O-N 3.01Å; N1499-Q1503 VanDerWaalsContact O-N 3.08Å; L1500-Q1503 PolarHBondContact O-N 3.18Å; Q1503-N1505 VanDerWaalsContact C-N 3.31Å; Q1503-N1505 PolarHBondContact O-N 3.23Å; Q1503-Y1506 PolarHBondContact O-N 3.21Å; Q1503-L1507 WeakPolarHBondContact O-CD1 3.34Å |
| 1504 | T | 38.1 | Very low | 38.3 | Very low | 100 Ų | 100 | 107.2 Ų | 107.2 | 61% | 0.613 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.1 | -24.4 | 179 | -0.4 | 0 | 0 | 0 | 0 | 113.8 | L1500 S1501 V1502 | L1500-T1504 PolarHBondContact O-N 3.3Å; L1500-T1504 VanDerWaalsContact O-N 3.09Å; L1500-T1504 PolarHBondContact O-OG1 2.99Å; L1500-T1504 VanDerWaalsContact O-OG1 3.1Å; S1501-T1504 PolarHBondContact O-OG1 3.31Å; V1502-T1504 VanDerWaalsContact C-N 3.29Å; V1502-T1504 PolarHBondContact O-N 3.07Å; V1502-T1504 VanDerWaalsContact O-N 3.15Å |
| 1505 | N | 35.6 | Very low | 37 | Very low | 102.2 Ų | 102.2 | 113.6 Ų | 113.6 | 55% | 0.547 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -90 | -17.1 | -176.5 | -74.3 | -46.6 | 0 | 0 | 0 | 114.4 | S1501 V1502 Q1503 A1508 N1509 | S1501-N1505 PolarHBondContact O-ND2 3.1Å; V1502-N1505 PolarHBondContact O-N 2.87Å; V1502-N1505 VanDerWaalsContact O-N 3.1Å; Q1503-N1505 VanDerWaalsContact C-N 3.31Å; Q1503-N1505 PolarHBondContact O-N 3.23Å; N1505-A1508 PolarHBondContact O-N 3.31Å; N1505-N1509 PolarHBondContact O-ND2 3.19Å |
| 1506 | Y | 33.5 | Very low | 36.2 | Very low | 186.8 Ų | 186.8 | 118.6 Ų | 118.6 | 73% | 0.733 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -85.9 | -14.5 | -179.4 | -79.2 | -78.9 | 0 | 0 | 0 | 114.5 | V1502 Q1503 | V1502-Y1506 HydrophobicContact CG1-CD2 4.15Å; V1502-Y1506 HydrophobicContact CG1-CE2 3.83Å; V1502-Y1506 WeakPolarHBondContact O-CD2 3.37Å; V1502-Y1506 PolarHBondContact O-N 3.07Å; Q1503-Y1506 PolarHBondContact O-N 3.21Å |
| 1507 | L | 34.8 | Very low | 35.5 | Very low | 154.4 Ų | 154.4 | 117.1 Ų | 117.1 | 81% | 0.808 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -93.6 | -11.2 | 173.6 | -77.1 | 114.1 | 0 | 0 | 0 | 113.5 | Q1503 | Q1503-L1507 WeakPolarHBondContact O-CD1 3.34Š|
| 1508 | A | 33.9 | Very low | 34.9 | Very low | 65.2 Ų | 65.2 | 116.2 Ų | 116.2 | 54% | 0.539 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -85.8 | -14.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | N1505 | N1505-A1508 PolarHBondContact O-N 3.31Š|
| 1509 | N | 32.5 | Very low | 34.2 | Very low | 134.6 Ų | 134.6 | 118.4 Ų | 118.4 | 72% | 0.72 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -109.4 | 33 | -170 | -75.9 | -35.2 | 0 | 0 | 0 | 114.1 | N1505 | N1505-N1509 PolarHBondContact O-ND2 3.19Š|
| 1510 | N | 32.4 | Very low | 33.9 | Very low | 158.4 Ų | 158.4 | 121.7 Ų | 121.7 | 85% | 0.847 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -144.1 | 68.8 | 171.7 | -94.4 | -30.4 | 0 | 0 | 0 | 112.7 | ||
| 1511 | S | 33.5 | Very low | 33.6 | Very low | 106 Ų | 106 | 120.1 Ų | 120.1 | 74% | 0.741 | 69% | 0.692 | S | S | * | * | trans | -158.8 | 64.6 | 175.9 | 57.8 | 0 | 0 | 0 | 0 | 114.8 | G1513 | S1511-G1513 VanDerWaalsContact C-N 3.32Å; S1511-G1513 PolarHBondContact O-N 3.25Å | ||
| 1512 | T | 34.3 | Very low | 33.2 | Very low | 149.8 Ų | 149.8 | 124.7 Ų | 124.7 | 92% | 0.919 | 72% | 0.719 | S | S | * | * | trans | -85.2 | 99.7 | 164.7 | 37.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1513 | G | 33.8 | Very low | 32.8 | Very low | 71.6 Ų | 71.6 | 125.5 Ų | 125.5 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | trans | -167.2 | 101.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S1511 I1515 | S1511-G1513 VanDerWaalsContact C-N 3.32Å; S1511-G1513 PolarHBondContact O-N 3.25Å; G1513-I1515 PolarHBondContact O-N 2.6Å | ||
| 1514 | T | 32.3 | Very low | 32.7 | Very low | 130 Ų | 130 | 125.2 Ų | 125.2 | 80% | 0.798 | 74% | 0.741 | S | S | * | * | trans | -75.6 | 116.5 | 172.8 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | I1516 | T1514-I1516 HydrophobicContact CG2-CG1 4.18Š| ||
| 1515 | I | 32.2 | Very low | 32.3 | Very low | 155.6 Ų | 155.6 | 126.3 Ų | 126.3 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | trans | -162.3 | 135.9 | 145.9 | -71.8 | 163.7 | 0 | 0 | 0 | 113.7 | G1513 | G1513-I1515 PolarHBondContact O-N 2.6Š| ||
| 1516 | I | 34.4 | Very low | 32 | Very low | 149.6 Ų | 149.6 | 128.1 Ų | 128.1 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | trans | 21.2 | 124.4 | 158.1 | -56.8 | 171.9 | 0 | 0 | 0 | 114.4 | T1514 | T1514-I1516 HydrophobicContact CG2-CG1 4.18Š| ||
| 1517 | T | 28.6 | Very low | 31.9 | Very low | 120.8 Ų | 120.8 | 123.7 Ų | 123.7 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | trans | 15.8 | 134.6 | 142.5 | -38.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1518 | T | 33.9 | Very low | 31.6 | Very low | 124.6 Ų | 124.6 | 121.7 Ų | 121.7 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | trans | 162.9 | 121.3 | 132.8 | -62.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1519 | T | 29.7 | Very low | 31.3 | Very low | 112.6 Ų | 112.6 | 123.7 Ų | 123.7 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | trans | -27.7 | 146.7 | 159.6 | 54.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1520 | M | 30.5 | Very low | 31.2 | Very low | 166.6 Ų | 166.6 | 124 Ų | 124 | 82% | 0.821 | 77% | 0.774 | S | S | * | * | 153.8 | 136 | 119.2 | -81.4 | -62.4 | 163.3 | 0 | 0 | 116.8 | |||||
| 1521 | S | 30.3 | Very low | 31.1 | Very low | 91.2 Ų | 91.2 | 123.1 Ų | 123.1 | 64% | 0.638 | 77% | 0.769 | S | S | * | * | trans | 24.4 | 142 | 144.7 | -55.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1522 | T | 30.3 | Very low | 31.1 | Very low | 137.4 Ų | 137.4 | 123.2 Ų | 123.2 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | 79.3 | 143.3 | 133.6 | 42.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1523 | A | 30.8 | Very low | 30.9 | Very low | 89.2 Ų | 89.2 | 123 Ų | 123 | 74% | 0.737 | 76% | 0.763 | S | S | * | * | trans | 70.4 | 109.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1524 | T | 31.3 | Very low | 30.7 | Very low | 123.4 Ų | 123.4 | 126.1 Ų | 126.1 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | 103.5 | 129.8 | 82.3 | -38.1 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 1525 | T | 30.6 | Very low | 30.6 | Very low | 123 Ų | 123 | 125.4 Ų | 125.4 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | 85.8 | 138.1 | 149.9 | 49.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1526 | V | 29.4 | Very low | 30.6 | Very low | 138.4 Ų | 138.4 | 121.3 Ų | 121.3 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | trans | 55.3 | 130.2 | 141.1 | -120.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1527 | A | 29.6 | Very low | 30.4 | Very low | 94.4 Ų | 94.4 | 120 Ų | 120 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | trans | 136.2 | 151.9 | 139.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1528 | S | 28.9 | Very low | 30.4 | Very low | 114 Ų | 114 | 124 Ų | 124 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | 126.5 | 124.2 | 124.4 | -156.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 1529 | C | 27.9 | Very low | 30.3 | Very low | 106.8 Ų | 106.8 | 121.3 Ų | 121.3 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | -138.8 | 157 | 150.1 | 51.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 1530 | N | 30.6 | Very low | 30.4 | Very low | 140.8 Ų | 140.8 | 121.4 Ų | 121.4 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | 172.1 | 154.6 | 128.4 | -83.3 | -26.2 | 0 | 0 | 0 | 113.9 | |||||
| 1531 | N | 30.8 | Very low | 30.5 | Very low | 139 Ų | 139 | 118.6 Ų | 118.6 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | 70.3 | 138.9 | 146.4 | -81 | -11.8 | 0 | 0 | 0 | 118.7 | ||||
| 1532 | S | 33 | Very low | 30.4 | Very low | 108 Ų | 108 | 121.7 Ų | 121.7 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | 171.6 | 135 | 111.4 | -20.9 | 0 | 0 | 0 | 0 | 116 | |||||
| 1533 | N | 29.5 | Very low | 30.4 | Very low | 146.8 Ų | 146.8 | 121.4 Ų | 121.4 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -144.2 | 146.7 | 149.7 | -80.7 | -18.4 | 0 | 0 | 0 | 116.9 | S1535 | N1533-S1535 PolarHBondContact O-N 3.47Š| ||
| 1534 | V | 30.9 | Very low | 30.5 | Very low | 135.6 Ų | 135.6 | 121.9 Ų | 121.9 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | 92 | 128.8 | 138.7 | 173.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1535 | S | 30.2 | Very low | 30.4 | Very low | 114.6 Ų | 114.6 | 124.1 Ų | 124.1 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | cis | -156.8 | 153.2 | -10.2 | -87.9 | 0 | 0 | 0 | 0 | 112.1 | N1533 | N1533-S1535 PolarHBondContact O-N 3.47Š| ||
| 1536 | G | 31.3 | Very low | 30.3 | Very low | 70.6 Ų | 70.6 | 122.2 Ų | 122.2 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | trans | 112 | 130 | 145.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1537 | V | 30 | Very low | 30.2 | Very low | 123 Ų | 123 | 120.8 Ų | 120.8 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | cis | 165.6 | 131.7 | 20.2 | 147 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1538 | F | 29.4 | Very low | 30.2 | Very low | 203 Ų | 203 | 121.2 Ų | 121.2 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | trans | 65.3 | 136.4 | 161.6 | -71.5 | -77.4 | 0 | 0 | 0 | 118.6 | ||||
| 1539 | G | 30.3 | Very low | 30.2 | Very low | 69.6 Ų | 69.6 | 123.3 Ų | 123.3 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | cis | 161.6 | 146.1 | 33.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1540 | S | 32.2 | Very low | 30.2 | Very low | 114.2 Ų | 114.2 | 124 Ų | 124 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | 143.9 | 137 | 164.6 | -66.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 1541 | S | 32.6 | Very low | 30.2 | Very low | 108.2 Ų | 108.2 | 121.9 Ų | 121.9 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | cis | -161.5 | 145.2 | 26.8 | 6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1542 | N | 27.9 | Very low | 30.2 | Very low | 156 Ų | 156 | 122.7 Ų | 122.7 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | -116.4 | 151.6 | 146.8 | -69.6 | -31.4 | 0 | 0 | 0 | 113.2 | ||||
| 1543 | T | 32 | Very low | 30.1 | Very low | 130.6 Ų | 130.6 | 126.6 Ų | 126.6 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | -156.2 | 158.7 | 103.1 | 34.4 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1544 | S | 31.6 | Very low | 30.1 | Very low | 100.6 Ų | 100.6 | 125.8 Ų | 125.8 | 70% | 0.703 | 77% | 0.768 | S | S | * | * | trans | 114.1 | 129.5 | 131.5 | 63.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1545 | I | 28.9 | Very low | 30.1 | Very low | 169.6 Ų | 169.6 | 127.1 Ų | 127.1 | 87% | 0.87 | 77% | 0.766 | S | S | * | * | 175.8 | 146.4 | 118.5 | -52.7 | 167.1 | 0 | 0 | 0 | 111.6 | |||||
| 1546 | A | 28.5 | Very low | 30 | Very low | 83.4 Ų | 83.4 | 127.5 Ų | 127.5 | 69% | 0.689 | 76% | 0.759 | S | S | * | * | trans | -138.1 | 155 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1547 | S | 28.5 | Very low | 29.9 | Very low | 108.2 Ų | 108.2 | 129.9 Ų | 129.9 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | trans | 45.2 | 138.9 | 143.3 | 49.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1548 | S | 29 | Very low | 29.8 | Very low | 103.6 Ų | 103.6 | 128.3 Ų | 128.3 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | 177.3 | 132.5 | 78.5 | 41.9 | 0 | 0 | 0 | 0 | 112.6 | T1550 | S1548-T1550 PolarHBondContact O-N 2.84Š| |||
| 1549 | L | 28.5 | Very low | 29.6 | Very low | 157.4 Ų | 157.4 | 126.5 Ų | 126.5 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | trans | 57.1 | 121 | 146 | -61.9 | 170.5 | 0 | 0 | 0 | 118.4 | S1551 | L1549-S1551 PolarHBondContact O-N 3.22Å; L1549-S1551 VanDerWaalsContact O-N 3.17Å | ||
| 1550 | T | 28.7 | Very low | 29.6 | Very low | 120.2 Ų | 120.2 | 128.3 Ų | 128.3 | 74% | 0.737 | 75% | 0.754 | S | S | * | * | -70.9 | 149.9 | 102.5 | 45 | 0 | 0 | 0 | 0 | 114.9 | S1548 E1552 | S1548-T1550 PolarHBondContact O-N 2.84Å; T1550-E1552 WeakPolarHBondContact CA-OE1 3.4Å; T1550-E1552 WeakPolarHBondContact CB-OE1 3.2Å; T1550-E1552 WeakPolarHBondContact CG2-OE1 3.46Å; T1550-E1552 PolarHBondContact O-N 3.3Å | |||
| 1551 | S | 30.5 | Very low | 29.3 | Very low | 97.4 Ų | 97.4 | 130.1 Ų | 130.1 | 68% | 0.681 | 75% | 0.754 | S | S | * | * | cis | -137.8 | 147.4 | 32.9 | 44.7 | 0 | 0 | 0 | 0 | 112.3 | L1549 F1553 | L1549-S1551 PolarHBondContact O-N 3.22Å; L1549-S1551 VanDerWaalsContact O-N 3.17Å; S1551-F1553 PolarHBondContact O-N 3.1Å | ||
| 1552 | E | 30.6 | Very low | 29.1 | Very low | 155.2 Ų | 155.2 | 129.9 Ų | 129.9 | 73% | 0.725 | 75% | 0.753 | S | S | * | * | 144.5 | 136.9 | 60.5 | -70.1 | 177.1 | 147.2 | 0 | 0 | 112.5 | K1353 T1550 | K1353-E1552 IonicContact NZ-OE2 3.55Å; T1550-E1552 WeakPolarHBondContact CA-OE1 3.4Å; T1550-E1552 WeakPolarHBondContact CB-OE1 3.2Å; T1550-E1552 WeakPolarHBondContact CG2-OE1 3.46Å; T1550-E1552 PolarHBondContact O-N 3.3Å | |||
| 1553 | F | 30.9 | Very low | 29.1 | Very low | 191 Ų | 191 | 127.8 Ų | 127.8 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | -142.2 | 141.3 | 132.8 | -76.7 | -83 | 0 | 0 | 0 | 114.5 | S1551 | S1551-F1553 PolarHBondContact O-N 3.1Š| ||
| 1554 | N | 29.5 | Very low | 28.9 | Very low | 129.6 Ų | 129.6 | 130.3 Ų | 130.3 | 69% | 0.693 | 75% | 0.753 | S | S | * | * | trans | -149.3 | 132.2 | 157.6 | -155.6 | 34.6 | 0 | 0 | 0 | 113.2 | N1556 | N1554-N1556 PolarHBondContact ND2-ND2 2.93Å; N1554-N1556 PolarHBondContact ND2-OD1 3.46Å; N1554-N1556 PolarHBondContact OD1-ND2 2.81Å; N1554-N1556 VanDerWaalsContact OD1-ND2 3.07Å | ||
| 1555 | E | 30.3 | Very low | 28.7 | Very low | 163.8 Ų | 163.8 | 131.6 Ų | 131.6 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | -128.5 | 134.3 | 155.6 | -90.8 | 173.9 | 158.1 | 0 | 0 | 111.6 | V1557 | E1555-V1557 HydrophobicContact CB-CG2 4.28Å; E1555-V1557 PolarHBondContact O-N 3.22Å | ||
| 1556 | N | 28.2 | Very low | 28.6 | Very low | 122.6 Ų | 122.6 | 130.2 Ų | 130.2 | 66% | 0.656 | 75% | 0.751 | S | S | * | * | 149.7 | 133.4 | 129.5 | -83.5 | -46 | 0 | 0 | 0 | 114.6 | N1554 | N1554-N1556 PolarHBondContact ND2-ND2 2.93Å; N1554-N1556 PolarHBondContact ND2-OD1 3.46Å; N1554-N1556 PolarHBondContact OD1-ND2 2.81Å; N1554-N1556 VanDerWaalsContact OD1-ND2 3.07Å | |||
| 1557 | V | 29.1 | Very low | 28.8 | Very low | 120.4 Ų | 120.4 | 131.9 Ų | 131.9 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | trans | 108.8 | 115.8 | 141 | -179.6 | 0 | 0 | 0 | 0 | 115.4 | E1555 L1559 | E1555-V1557 HydrophobicContact CB-CG2 4.28Å; E1555-V1557 PolarHBondContact O-N 3.22Å; V1557-L1559 VanDerWaalsContact C-N 3.35Å; V1557-L1559 PolarHBondContact O-N 3.44Å | ||
| 1558 | S | 27.8 | Very low | 28.9 | Very low | 89.8 Ų | 89.8 | 131.8 Ų | 131.8 | 63% | 0.628 | 75% | 0.754 | S | S | * | * | trans | -136 | 125.2 | -172.4 | 59.7 | 0 | 0 | 0 | 0 | 114.9 | S1560 | S1558-S1560 PolarHBondContact O-N 2.92Å; S1558-S1560 VanDerWaalsContact O-N 3.16Å | ||
| 1559 | L | 26.3 | Very low | 28.8 | Very low | 164.2 Ų | 164.2 | 133.9 Ų | 133.9 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | 26.3 | 126.3 | 153.5 | -70.3 | 159.3 | 0 | 0 | 0 | 117.9 | V1557 N1561 | V1557-L1559 VanDerWaalsContact C-N 3.35Å; V1557-L1559 PolarHBondContact O-N 3.44Å; L1559-N1561 PolarHBondContact O-N 3Å | ||
| 1560 | S | 29.5 | Very low | 28.9 | Very low | 108.6 Ų | 108.6 | 135.6 Ų | 135.6 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | -155.2 | 128.4 | 150.1 | 64.1 | 0 | 0 | 0 | 0 | 115.3 | S1558 | S1558-S1560 PolarHBondContact O-N 2.92Å; S1558-S1560 VanDerWaalsContact O-N 3.16Å | ||
| 1561 | N | 27.4 | Very low | 29 | Very low | 151.8 Ų | 151.8 | 136.5 Ų | 136.5 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | trans | 46.9 | 124.7 | 151.9 | -93.3 | -6.8 | 0 | 0 | 0 | 118.6 | L1559 | L1559-N1561 PolarHBondContact O-N 3Š| ||
| 1562 | S | 26.7 | Very low | 29.1 | Very low | 103.2 Ų | 103.2 | 137.4 Ų | 137.4 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | 115.7 | 122.6 | 136.7 | 55.4 | 0 | 0 | 0 | 0 | 116.4 | Q1564 | S1562-Q1564 PolarHBondContact O-N 3.42Š| ||
| 1563 | S | 28.2 | Very low | 29.2 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | 160.6 | 140.9 | 105.3 | -48 | 0 | 0 | 0 | 0 | 115.9 | V1565 | S1563-V1565 PolarHBondContact O-N 3.09Š| |||
| 1564 | Q | 27.4 | Very low | 29.3 | Very low | 183.6 Ų | 183.6 | 129.9 Ų | 129.9 | 86% | 0.858 | 76% | 0.76 | S | S | * | * | trans | -28.7 | 134.3 | 168.5 | -62.8 | 174.3 | -57.3 | 0 | 0 | 114.7 | S1562 | S1562-Q1564 PolarHBondContact O-N 3.42Š| ||
| 1565 | V | 27.6 | Very low | 29.3 | Very low | 127.4 Ų | 127.4 | 129.9 Ų | 129.9 | 77% | 0.772 | 76% | 0.764 | S | S | * | * | 171.2 | 113.2 | 124.9 | 174.3 | 0 | 0 | 0 | 0 | 113 | S1563 | S1563-V1565 PolarHBondContact O-N 3.09Š| |||
| 1566 | N | 26.8 | Very low | 29.3 | Very low | 140.2 Ų | 140.2 | 125.3 Ų | 125.3 | 75% | 0.75 | 76% | 0.76 | S | S | * | * | trans | -80 | 151.4 | 151.1 | -77.8 | -17.4 | 0 | 0 | 0 | 115.4 | S1568 | N1566-S1568 PolarHBondContact O-N 3.14Š| ||
| 1567 | P | 32.5 | Very low | 29.3 | Very low | 118.6 Ų | 118.6 | 126.7 Ų | 126.7 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | -87.6 | 133.2 | 178.5 | 33.8 | -31.9 | 0 | 0 | 0 | 112.3 | I1569 | P1567-I1569 PolarHBondContact O-N 2.8Š| ||
| 1568 | S | 30.6 | Very low | 29.5 | Very low | 106.2 Ų | 106.2 | 126 Ų | 126 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | -106.7 | 122.1 | 173.2 | -20.6 | 0 | 0 | 0 | 0 | 111.9 | N1566 F1570 | N1566-S1568 PolarHBondContact O-N 3.14Å; S1568-F1570 PolarHBondContact O-N 3.11Å | ||
| 1569 | I | 28.3 | Very low | 29.5 | Very low | 148.2 Ų | 148.2 | 129.3 Ų | 129.3 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | trans | -30.5 | 119.4 | 143 | -60.1 | 171 | 0 | 0 | 0 | 111.6 | P1567 L1571 | P1567-I1569 PolarHBondContact O-N 2.8Å; I1569-L1571 HydrophobicContact CG2-CD1 3.96Å | ||
| 1570 | F | 29.8 | Very low | 29.5 | Very low | 192.6 Ų | 192.6 | 125.7 Ų | 125.7 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | trans | -124.4 | 127.5 | 155.8 | -106.4 | -88 | 0 | 0 | 0 | 113.5 | S1568 | S1568-F1570 PolarHBondContact O-N 3.11Š| ||
| 1571 | L | 30.9 | Very low | 29.5 | Very low | 139.2 Ų | 139.2 | 129.3 Ų | 129.3 | 73% | 0.729 | 77% | 0.767 | S | S | * | * | trans | -116.7 | 154.8 | 166.5 | -82.2 | 104.5 | 0 | 0 | 0 | 110 | I1569 S1573 | I1569-L1571 HydrophobicContact CG2-CD1 3.96Å; L1571-S1573 PolarHBondContact O-N 3.1Å; L1571-S1573 VanDerWaalsContact O-N 3.09Å | ||
| 1572 | P | 32.8 | Very low | 29.6 | Very low | 115.8 Ų | 115.8 | 126.2 Ų | 126.2 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | -96.8 | 144.6 | -167 | 34.9 | -31.5 | 0 | 0 | 0 | 113.3 | ||||
| 1573 | S | 33.7 | Very low | 30 | Very low | 116.4 Ų | 116.4 | 129.1 Ų | 129.1 | 81% | 0.814 | 76% | 0.759 | S | S | * | * | trans | 171 | 127.5 | 157.6 | -70.1 | 0 | 0 | 0 | 0 | 114.7 | L1571 V1820 | L1571-S1573 PolarHBondContact O-N 3.1Å; L1571-S1573 VanDerWaalsContact O-N 3.09Å; S1573-V1820 VanDerWaalsContact OG-CG2 3.31Å; S1573-V1820 WeakPolarHBondContact OG-CG2 3.38Å | ||
| 1574 | G | 31.6 | Very low | 30.1 | Very low | 72.2 Ų | 72.2 | 129.8 Ų | 129.8 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | trans | -178.5 | 85.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | R1819 | G1574-R1819 PolarHBondContact O-NH2 2.87Š| ||
| 1575 | V | 30.6 | Very low | 30.4 | Very low | 129.6 Ų | 129.6 | 128.6 Ų | 128.6 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | -58.9 | 122.6 | 168.7 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | Q1388 A1818 | Q1388-V1575 HydrophobicContact CG-CG2 4.07Å; Q1388-V1575 VanDerWaalsContact NE2-CG2 3.3Å; V1575-A1818 HydrophobicContact CG2-CB 4.27Å | ||
| 1576 | G | 28.9 | Very low | 30.6 | Very low | 66.8 Ų | 66.8 | 127.3 Ų | 127.3 | 69% | 0.689 | 75% | 0.75 | S | S | * | * | trans | -163.1 | 147.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1577 | I | 29.8 | Very low | 30.8 | Very low | 152.8 Ų | 152.8 | 128.4 Ų | 128.4 | 78% | 0.784 | 75% | 0.754 | S | S | * | * | trans | 168.8 | 139.5 | 158.7 | -64.9 | 171.1 | 0 | 0 | 0 | 110.9 | Q1129 | Q1129-I1577 PolarHBondContact NE2-O 2.61Å; Q1129-I1577 VanDerWaalsContact NE2-O 3.1Å | ||
| 1578 | P | 31.8 | Very low | 30.7 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 69% | 0.688 | 75% | 0.751 | S | S | * | * | trans | -112.5 | 166.4 | -152 | 38.3 | -30.3 | 0 | 0 | 0 | 115.8 | ||||
| 1579 | I | 27.3 | Very low | 30.7 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 82% | 0.815 | 76% | 0.755 | S | S | * | * | trans | 115.6 | 123.6 | 155.5 | -64.9 | 158.6 | 0 | 0 | 0 | 115.7 | ||||
| 1580 | S | 27.3 | Very low | 30.9 | Very low | 89.2 Ų | 89.2 | 128.2 Ų | 128.2 | 62% | 0.624 | 76% | 0.755 | S | S | * | * | trans | -119.7 | 151.8 | 153.7 | 63.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1581 | Q | 29.6 | Very low | 30.9 | Very low | 182.6 Ų | 182.6 | 123.6 Ų | 123.6 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | trans | 68.9 | 151.5 | 153.7 | -60.8 | 174.7 | 20 | 0 | 0 | 117.8 | ||||
| 1582 | S | 30.3 | Very low | 31.1 | Very low | 86.6 Ų | 86.6 | 124.8 Ų | 124.8 | 61% | 0.606 | 75% | 0.748 | S | S | * | * | cis | -166.9 | 163 | -14.6 | 60.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1583 | Q | 33.5 | Very low | 31 | Very low | 164.2 Ų | 164.2 | 125.8 Ų | 125.8 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | trans | 70.8 | 136.1 | 155.6 | -63.5 | -178 | 25.9 | 0 | 0 | 119.3 | ||||
| 1584 | N | 31 | Very low | 30.9 | Very low | 127.8 Ų | 127.8 | 125 Ų | 125 | 68% | 0.683 | 74% | 0.741 | S | S | * | * | cis | 167.1 | 138.2 | 21.4 | -86.4 | -12.7 | 0 | 0 | 0 | 113.8 | ||||
| 1585 | N | 34.8 | Very low | 30.7 | Very low | 159.6 Ų | 159.6 | 129.8 Ų | 129.8 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | trans | 143.1 | 150.7 | 131.8 | -79.5 | -21.2 | 0 | 0 | 0 | 114.9 | ||||
| 1586 | S | 30.9 | Very low | 30.6 | Very low | 100.2 Ų | 100.2 | 131.3 Ų | 131.3 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | trans | -132.8 | 161.5 | -142.3 | 49.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1587 | I | 31.2 | Very low | 30.5 | Very low | 162.6 Ų | 162.6 | 131.8 Ų | 131.8 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | trans | 158.8 | 131.6 | 135.7 | -77.5 | 155.9 | 0 | 0 | 0 | 110.5 | ||||
| 1588 | A | 29.3 | Very low | 30.4 | Very low | 85.6 Ų | 85.6 | 135.1 Ų | 135.1 | 71% | 0.707 | 75% | 0.749 | S | S | * | * | -172.9 | 151.6 | 116.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1589 | I | 31.9 | Very low | 30.3 | Very low | 160.6 Ų | 160.6 | 134.5 Ų | 134.5 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | -154.6 | 144.8 | 118.4 | -77.5 | 166.6 | 0 | 0 | 0 | 111.9 | |||||
| 1590 | T | 31.3 | Very low | 30.3 | Very low | 122.8 Ų | 122.8 | 133.6 Ų | 133.6 | 75% | 0.753 | 74% | 0.744 | S | S | * | * | trans | -90.3 | 153.7 | -176.9 | 45.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1591 | S | 31.5 | Very low | 30.4 | Very low | 96 Ų | 96 | 136.5 Ų | 136.5 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | 164.5 | 151.6 | 73.4 | 62.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1592 | H | 34.3 | Very low | 30.4 | Very low | 163.8 Ų | 163.8 | 133.8 Ų | 133.8 | 76% | 0.758 | 75% | 0.747 | S | S | * | * | 43.5 | 141.7 | 107.7 | -77.9 | -56.6 | 0 | 0 | 0 | 116.3 | |||||
| 1593 | N | 30.9 | Very low | 30.6 | Very low | 138.4 Ų | 138.4 | 134.9 Ų | 134.9 | 74% | 0.74 | 75% | 0.752 | S | S | * | * | cis | 116.3 | 159.1 | 43.6 | -105.5 | 15.4 | 0 | 0 | 0 | 114.6 | ||||
| 1594 | S | 31.6 | Very low | 30.3 | Very low | 98.2 Ų | 98.2 | 132.1 Ų | 132.1 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | cis | 144.8 | 144.2 | -9.4 | 47.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1595 | Q | 27 | Very low | 30.3 | Very low | 173.4 Ų | 173.4 | 131.9 Ų | 131.9 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | 140.2 | 152.2 | 68.7 | -125.5 | 179.5 | -9.5 | 0 | 0 | 112.1 | |||||
| 1596 | L | 29.3 | Very low | 30 | Very low | 160.8 Ų | 160.8 | 127.7 Ų | 127.7 | 84% | 0.842 | 75% | 0.753 | S | S | * | * | trans | 88.1 | 137.7 | 163.9 | -62.6 | 166.7 | 0 | 0 | 0 | 116.5 | ||||
| 1597 | A | 26.8 | Very low | 30 | Very low | 76.6 Ų | 76.6 | 129.8 Ų | 129.8 | 63% | 0.633 | 76% | 0.762 | S | S | * | * | cis | 152.9 | 155.5 | 13.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1598 | Y | 27.3 | Very low | 29.8 | Very low | 223.4 Ų | 223.4 | 128.1 Ų | 128.1 | 88% | 0.876 | 76% | 0.764 | S | S | * | * | trans | 55.9 | 126 | 156.9 | -72.4 | -84.6 | 0 | 0 | 0 | 119.9 | ||||
| 1599 | S | 29 | Very low | 29.7 | Very low | 92.4 Ų | 92.4 | 127.4 Ų | 127.4 | 65% | 0.646 | 77% | 0.765 | S | S | * | * | 114.4 | 132.5 | 125.2 | 61.8 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 1600 | N | 28 | Very low | 29.6 | Very low | 140.8 Ų | 140.8 | 128.4 Ų | 128.4 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | 74 | 147.9 | 136.8 | -72.2 | -9.2 | 0 | 0 | 0 | 116.3 | K1282 | K1282-N1600 PolarHBondContact O-ND2 3.11Š| ||
| 1601 | I | 29.8 | Very low | 29.4 | Very low | 150.2 Ų | 150.2 | 129.1 Ų | 129.1 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | 125.3 | 119.5 | 132.8 | -73.4 | 165.4 | 0 | 0 | 0 | 115.2 | ||||
| 1602 | V | 29.5 | Very low | 29.4 | Very low | 126.6 Ų | 126.6 | 130.3 Ų | 130.3 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | trans | -37 | 143.7 | 147.5 | 178.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1603 | P | 33.1 | Very low | 29.1 | Very low | 108.8 Ų | 108.8 | 128.2 Ų | 128.2 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | -142.5 | 166.3 | 100.5 | 38.1 | -19.5 | 0 | 0 | 0 | 117.2 | |||||
| 1604 | S | 27.5 | Very low | 29.1 | Very low | 104.6 Ų | 104.6 | 131.8 Ų | 131.8 | 73% | 0.731 | 77% | 0.769 | S | S | * | * | trans | -47.5 | 146.9 | 157.5 | 40.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1605 | S | 31.2 | Very low | 29 | Very low | 124.2 Ų | 124.2 | 130.8 Ų | 130.8 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | 105.6 | 139.5 | 123.1 | 66.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1606 | G | 29.4 | Very low | 29.1 | Very low | 71.2 Ų | 71.2 | 126.1 Ų | 126.1 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | 155.2 | 113 | 163.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1607 | V | 29.5 | Very low | 29.2 | Very low | 145 Ų | 145 | 125.8 Ų | 125.8 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | 15.3 | 125.1 | 152.4 | -139.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1608 | S | 26.8 | Very low | 29.4 | Very low | 126.6 Ų | 126.6 | 131.1 Ų | 131.1 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | 55.4 | 154 | 151.2 | -148.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1609 | G | 28.8 | Very low | 29.6 | Very low | 71.2 Ų | 71.2 | 124 Ų | 124 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | 116.5 | 128.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1610 | M | 28.4 | Very low | 29.7 | Very low | 181 Ų | 181 | 126.5 Ų | 126.5 | 89% | 0.892 | 78% | 0.782 | S | S | * | * | cis | -124.9 | 157.3 | -19.4 | -102.9 | -177.4 | 173 | 0 | 0 | 111.3 | ||||
| 1611 | I | 28.3 | Very low | 29.9 | Very low | 137.4 Ų | 137.4 | 126.6 Ų | 126.6 | 71% | 0.705 | 78% | 0.781 | S | S | * | * | 89.4 | 118.1 | 110.5 | -76.4 | 167.4 | 0 | 0 | 0 | 116.2 | |||||
| 1612 | T | 30 | Very low | 30 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | 72.5 | 163.8 | 146.5 | 59 | 0 | 0 | 0 | 0 | 118 | ||||
| 1613 | N | 29.7 | Very low | 30.1 | Very low | 118.8 Ų | 118.8 | 123.4 Ų | 123.4 | 64% | 0.635 | 78% | 0.784 | S | S | * | * | cis | -153.9 | 163.6 | 20.5 | -141.1 | -7.6 | 0 | 0 | 0 | 114.8 | ||||
| 1614 | Y | 29.7 | Very low | 29.8 | Very low | 213.6 Ų | 213.6 | 124.3 Ų | 124.3 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | 45.9 | 131.8 | 165 | -63.7 | -71 | 0 | 0 | 0 | 122.6 | ||||
| 1615 | G | 30.2 | Very low | 30.2 | Very low | 78 Ų | 78 | 124.8 Ų | 124.8 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | cis | 130.1 | 132.9 | 25.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1616 | G | 29.4 | Very low | 30.2 | Very low | 75.2 Ų | 75.2 | 124.8 Ų | 124.8 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | 107.4 | 147.5 | 147.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1617 | I | 31 | Very low | 30.2 | Very low | 155 Ų | 155 | 127.6 Ų | 127.6 | 80% | 0.795 | 79% | 0.789 | S | S | * | * | cis | -167.1 | 135.4 | 10.6 | -83.4 | 174 | 0 | 0 | 0 | 111.4 | ||||
| 1618 | H | 31.1 | Very low | 30.5 | Very low | 187.4 Ų | 187.4 | 125.8 Ų | 125.8 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | trans | 42.2 | 136 | 163.3 | -72.7 | -104.4 | 0 | 0 | 0 | 120.9 | ||||
| 1619 | G | 31.8 | Very low | 30.6 | Very low | 73.4 Ų | 73.4 | 129.8 Ų | 129.8 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | cis | 170.7 | 126.9 | 31.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1620 | N | 31.3 | Very low | 30.6 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | -136.5 | 150.3 | 142.8 | -124.2 | 0.3 | 0 | 0 | 0 | 111.6 | ||||
| 1621 | I | 32.4 | Very low | 30.7 | Very low | 141.4 Ų | 141.4 | 126.9 Ų | 126.9 | 73% | 0.725 | 77% | 0.773 | S | S | * | * | trans | 84.7 | 111 | 130.7 | -66.4 | 170.8 | 0 | 0 | 0 | 115.1 | ||||
| 1622 | T | 32 | Very low | 31.1 | Very low | 135.6 Ų | 135.6 | 126.1 Ų | 126.1 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | 98.3 | 146.2 | 80.6 | 50.5 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1623 | G | 31.3 | Very low | 31 | Very low | 75 Ų | 75 | 127.8 Ų | 127.8 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | cis | 166.9 | 116.8 | 16.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1624 | C | 26 | Very low | 31.1 | Very low | 128.6 Ų | 128.6 | 128.3 Ų | 128.3 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -84.7 | 170.9 | 178 | -71.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 1625 | P | 35.6 | Very low | 31.1 | Very low | 113.8 Ų | 113.8 | 124 Ų | 124 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | cis | -129.5 | -166.7 | -33.4 | 33.9 | -14.3 | 0 | 0 | 0 | 115.3 | ||||
| 1626 | V | 31.5 | Very low | 31.3 | Very low | 125.6 Ų | 125.6 | 124 Ų | 124 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | trans | 105.4 | 110.6 | 157 | 177 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1627 | V | 30.5 | Very low | 31.3 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | 68.8 | 156 | 124.9 | -162.5 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1628 | P | 35.7 | Very low | 31.2 | Very low | 107.2 Ų | 107.2 | 128.9 Ų | 128.9 | 70% | 0.696 | 79% | 0.79 | S | S | * | * | -136.5 | 178.7 | -82.9 | 41.5 | -23.8 | 0 | 0 | 0 | 116.5 | |||||
| 1629 | Y | 28.7 | Very low | 31.2 | Very low | 212.4 Ų | 212.4 | 123.4 Ų | 123.4 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | trans | 136.2 | 131.3 | 153 | -115.2 | -91.5 | 0 | 0 | 0 | 115.3 | ||||
| 1630 | C | 27.3 | Very low | 31 | Very low | 123.8 Ų | 123.8 | 127.2 Ų | 127.2 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | 75.8 | 132.1 | 156.8 | -125.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1631 | G | 31.8 | Very low | 31 | Very low | 67.2 Ų | 67.2 | 128.2 Ų | 128.2 | 69% | 0.693 | 79% | 0.788 | S | S | * | * | trans | 168 | 151.6 | 151 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1632 | P | 35.2 | Very low | 30.7 | Very low | 120.4 Ų | 120.4 | 127.6 Ų | 127.6 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | trans | -109.4 | 158.5 | -174.6 | 35.2 | -25.8 | 0 | 0 | 0 | 114.9 | ||||
| 1633 | L | 29.5 | Very low | 30.6 | Very low | 158.4 Ų | 158.4 | 131.8 Ų | 131.8 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | 118.3 | 125.2 | 154.4 | -68.5 | 173.8 | 0 | 0 | 0 | 116.6 | ||||
| 1634 | T | 30.6 | Very low | 30.5 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | 116.3 | 144.1 | 131 | 47.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1635 | S | 30.9 | Very low | 30.7 | Very low | 124.6 Ų | 124.6 | 130.8 Ų | 130.8 | 87% | 0.871 | 78% | 0.782 | S | S | * | * | trans | 94.6 | 143.2 | 145.2 | -159.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1636 | G | 33.1 | Very low | 30.3 | Very low | 76.2 Ų | 76.2 | 134.6 Ų | 134.6 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | 161.7 | 140.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1637 | N | 31 | Very low | 30.2 | Very low | 143.4 Ų | 143.4 | 132.2 Ų | 132.2 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | cis | -151.8 | 160 | -45.1 | -161.7 | 5.7 | 0 | 0 | 0 | 109.7 | ||||
| 1638 | F | 28.3 | Very low | 30.1 | Very low | 191.4 Ų | 191.4 | 134.6 Ų | 134.6 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | 96.6 | 145.1 | 170.4 | -78 | -85.4 | 0 | 0 | 0 | 116.9 | L1640 | F1638-L1640 HydrophobicContact CD1-CD1 3.86Å; F1638-L1640 HydrophobicContact CE1-CD1 4.31Å | ||
| 1639 | G | 30.3 | Very low | 29.7 | Very low | 71.6 Ų | 71.6 | 133.9 Ų | 133.9 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | 149.6 | 116.3 | 148.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1640 | L | 28.7 | Very low | 29.5 | Very low | 151.6 Ų | 151.6 | 129.1 Ų | 129.1 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -97.3 | 154.7 | -177.1 | -102 | 99.3 | 0 | 0 | 0 | 112.9 | F1638 | F1638-L1640 HydrophobicContact CD1-CD1 3.86Å; F1638-L1640 HydrophobicContact CE1-CD1 4.31Å | ||
| 1641 | M | 29.7 | Very low | 29.5 | Very low | 169 Ų | 169 | 127.3 Ų | 127.3 | 83% | 0.833 | 78% | 0.782 | S | S | * | * | 158.8 | 135.2 | 116.6 | -101.7 | 174 | 178.2 | 0 | 0 | 115.1 | |||||
| 1642 | N | 27.8 | Very low | 29.3 | Very low | 128.2 Ų | 128.2 | 131.4 Ų | 131.4 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | 103.4 | 138.4 | 113.1 | -143.5 | 17 | 0 | 0 | 0 | 117.9 | |||||
| 1643 | Y | 28.9 | Very low | 28.8 | Very low | 222.4 Ų | 222.4 | 129.4 Ų | 129.4 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | 25.1 | 139.4 | 157.6 | -67.2 | -93.9 | 0 | 0 | 0 | 113 | ||||
| 1644 | G | 29 | Very low | 28.6 | Very low | 67.4 Ų | 67.4 | 132.5 Ų | 132.5 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | cis | 137.8 | 137.3 | 10.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1645 | S | 30.1 | Very low | 28.4 | Very low | 115.2 Ų | 115.2 | 133 Ų | 133 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | 108.8 | 143 | 156.1 | -88.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1646 | Q | 27.9 | Very low | 28.1 | Very low | 195 Ų | 195 | 138 Ų | 138 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | 59.9 | 144.3 | 144.3 | -73.4 | 174 | -10.4 | 0 | 0 | 117.5 | ||||
| 1647 | G | 29.7 | Very low | 27.9 | Very low | 74.8 Ų | 74.8 | 138.9 Ų | 138.9 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | trans | 165 | 106.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1648 | Q | 27.5 | Very low | 27.7 | Very low | 179 Ų | 179 | 139.1 Ų | 139.1 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | -14.6 | 152.3 | 144.9 | -70.1 | -179.5 | -8.9 | 0 | 0 | 115.6 | K1733 S1734 | Q1648-K1733 VanDerWaalsContact CB-O 3.32Å; Q1648-K1733 WeakPolarHBondContact CB-O 3.46Å; Q1648-K1733 PolarHBondContact OE1-O 3.07Å; Q1648-S1734 CarbonylContact C-O 3.37Å; Q1648-S1734 VanDerWaalsContact O-O 3.09Å | ||
| 1649 | S | 26.8 | Very low | 27.7 | Very low | 91.4 Ų | 91.4 | 137 Ų | 137 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | cis | 168.3 | 150.7 | 7.2 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | K1733 S1734 T1735 | S1649-K1733 VanDerWaalsContact OG-C 3.29Å; S1649-K1733 PolarHBondContact OG-O 3.36Å; S1649-S1734 PolarHBondContact N-O 3.03Å; S1649-S1734 PolarHBondContact OG-N 2.77Å; S1649-T1735 PolarHBondContact O-N 3.29Å | ||
| 1650 | S | 26.3 | Very low | 27.5 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | 68 | 121.3 | 131.3 | -42.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1651 | A | 26.7 | Very low | 27.5 | Very low | 85 Ų | 85 | 139.4 Ų | 139.4 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | 111.8 | 127.4 | 126.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1652 | N | 26.5 | Very low | 27.4 | Very low | 152.8 Ų | 152.8 | 135.9 Ų | 135.9 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | 145.5 | 149 | 127.3 | -78.7 | -21.4 | 0 | 0 | 0 | 115.4 | F1702 | N1652-F1702 HydrophobicContact CB-CE1 4.41Š| |||
| 1653 | A | 25.9 | Very low | 27.4 | Very low | 80 Ų | 80 | 136.6 Ų | 136.6 | 66% | 0.661 | 76% | 0.763 | S | S | * | * | trans | 88.5 | 149.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1654 | W | 25 | Very low | 27.3 | Very low | 223 Ų | 223 | 131.4 Ų | 131.4 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | 91.1 | 119.2 | 134.6 | -71.1 | 46.9 | 0 | 0 | 0 | 119.8 | T1700 | W1654-T1700 HydrophobicContact CD2-CG2 4Å; W1654-T1700 HydrophobicContact CE3-CG2 4.18Å; W1654-T1700 HydrophobicContact CH2-CG2 3.6Å; W1654-T1700 VanDerWaalsContact CZ2-CB 3.44Å; W1654-T1700 HydrophobicContact CZ2-CG2 3.39Å; W1654-T1700 WeakPolarHBondContact CZ2-OG1 3.43Å; W1654-T1700 HydrophobicContact CZ3-CG2 3.97Å | ||
| 1655 | N | 27.1 | Very low | 27.2 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | 45.2 | 124.4 | 136 | -85.2 | -18.5 | 0 | 0 | 0 | 122.1 | ||||
| 1656 | R | 24.2 | Very low | 27.2 | Very low | 231.2 Ų | 231.2 | 138.1 Ų | 138.1 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | trans | -55 | 138.3 | 139.1 | -73.7 | -172.1 | -178.5 | -165.9 | 0.9 | 113.7 | ||||
| 1657 | S | 27.8 | Very low | 27.2 | Very low | 95.2 Ų | 95.2 | 135.5 Ų | 135.5 | 67% | 0.666 | 76% | 0.756 | S | S | * | * | cis | 119 | 140.9 | 37.5 | 62.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1658 | N | 27.3 | Very low | 27.1 | Very low | 146.8 Ų | 146.8 | 139.1 Ų | 139.1 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | 85.3 | 152.9 | 158.8 | -69.9 | -9.1 | 0 | 0 | 0 | 113.6 | ||||
| 1659 | I | 27.8 | Very low | 27.2 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | 162.4 | 148.2 | 89.7 | -66.8 | 168 | 0 | 0 | 0 | 113 | |||||
| 1660 | L | 27.5 | Very low | 27.3 | Very low | 146.6 Ų | 146.6 | 136.8 Ų | 136.8 | 77% | 0.768 | 76% | 0.762 | S | S | * | * | trans | 49.5 | 141 | 155.6 | -92.9 | 74.8 | 0 | 0 | 0 | 115.7 | ||||
| 1661 | D | 27.1 | Very low | 27.6 | Very low | 126.8 Ų | 126.8 | 137.3 Ų | 137.3 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | 160.2 | 152 | 100.6 | -104.3 | -27.9 | 0 | 0 | 0 | 116.3 | V836 R837 | V836-D1661 HydrophobicContact CG2-CB 4.22Å; R837-D1661 IonicContact CZ-OD1 3.49Å; R837-D1661 IonicContact CZ-OD2 3.81Å; R837-D1661 VanDerWaalsContact CZ-OD2 3.3Å; R837-D1661 IonicContact NH1-OD1 2.66Å; R837-D1661 IonicContact NH1-OD2 3.76Å; R837-D1661 PolarHBondContact NH1-OD2 3.16Å; R837-D1661 VanDerWaalsContact NH2-CG 3.29Å; R837-D1661 IonicContact NH2-OD1 2.98Å; R837-D1661 PolarHBondContact NH2-OD1 2.96Å; R837-D1661 IonicContact NH2-OD2 3.74Å; R837-D1661 PolarHBondContact NH2-OD2 3.38Å | |||
| 1662 | S | 27.7 | Very low | 27.7 | Very low | 95.6 Ų | 95.6 | 138.2 Ų | 138.2 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | trans | -135 | 120.5 | -179.2 | -58 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1663 | N | 28.5 | Very low | 27.7 | Very low | 141.4 Ų | 141.4 | 139.1 Ų | 139.1 | 76% | 0.756 | 77% | 0.767 | S | S | * | * | trans | 140 | 122.4 | 142.1 | -75.2 | -26.3 | 0 | 0 | 0 | 117.8 | R837 | R837-N1663 HydrophobicContact CG-CB 4.3Å; R837-N1663 PolarHBondContact NE-ND2 3.16Å; R837-N1663 VanDerWaalsContact NE-ND2 3.18Å; R837-N1663 PolarHBondContact NH2-ND2 3.38Å | ||
| 1664 | C | 26.2 | Very low | 27.9 | Very low | 113.4 Ų | 113.4 | 138.6 Ų | 138.6 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | trans | 45 | 121.9 | 149.7 | -74.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1665 | A | 28 | Very low | 28 | Very low | 86.4 Ų | 86.4 | 136.2 Ų | 136.2 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | 124.7 | 131.4 | 87.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1666 | W | 29 | Very low | 28.1 | Very low | 237 Ų | 237 | 132.9 Ų | 132.9 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | trans | -171.3 | 133.3 | 140.6 | -79.2 | 42.2 | 0 | 0 | 0 | 111.1 | ||||
| 1667 | D | 28.2 | Very low | 28.3 | Very low | 140.6 Ų | 140.6 | 129 Ų | 129 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | -136.7 | 155.4 | -163 | -90.8 | -47.6 | 0 | 0 | 0 | 113.4 | ||||
| 1668 | N | 28.3 | Very low | 28.3 | Very low | 150.6 Ų | 150.6 | 127.5 Ų | 127.5 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | trans | -115.1 | 134.3 | 139.8 | -80.4 | -57.5 | 0 | 0 | 0 | 114.3 | ||||
| 1669 | A | 29.8 | Very low | 28.2 | Very low | 91 Ų | 91 | 128.1 Ų | 128.1 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | -170.4 | 133.7 | 140.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1670 | T | 28.2 | Very low | 28.2 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | -98 | 152.1 | 162.6 | 49.6 | 0 | 0 | 0 | 0 | 112 | S1672 | T1670-S1672 VanDerWaalsContact C-N 3.33Å; T1670-S1672 PolarHBondContact O-N 2.91Å; T1670-S1672 VanDerWaalsContact O-N 3.09Å | ||
| 1671 | P | 33.6 | Very low | 28.2 | Very low | 123.6 Ų | 123.6 | 124.7 Ų | 124.7 | 80% | 0.803 | 77% | 0.768 | S | S | * | * | trans | -104.5 | 137 | -173.1 | 35.9 | -29 | 0 | 0 | 0 | 114.7 | ||||
| 1672 | S | 28.1 | Very low | 28.2 | Very low | 102.2 Ų | 102.2 | 126.9 Ų | 126.9 | 72% | 0.715 | 77% | 0.774 | S | S | * | * | trans | -57.3 | 153.4 | 154.4 | 59.9 | 0 | 0 | 0 | 0 | 115.9 | T1670 G1674 | T1670-S1672 VanDerWaalsContact C-N 3.33Å; T1670-S1672 PolarHBondContact O-N 2.91Å; T1670-S1672 VanDerWaalsContact O-N 3.09Å; S1672-G1674 PolarHBondContact O-N 3.12Å | ||
| 1673 | L | 27.2 | Very low | 28.3 | Very low | 172 Ų | 172 | 125.7 Ų | 125.7 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | trans | 16.8 | 134.2 | 171.4 | -93.1 | 86.2 | 0 | 0 | 0 | 115.6 | ||||
| 1674 | G | 28.6 | Very low | 28.2 | Very low | 69.4 Ų | 69.4 | 127 Ų | 127 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | trans | 159.4 | 131 | 145.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S1672 | S1672-G1674 PolarHBondContact O-N 3.12Š| ||
| 1675 | I | 27.7 | Very low | 28.3 | Very low | 173 Ų | 173 | 130.6 Ų | 130.6 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | trans | 54.4 | 122.1 | 161.7 | -55.1 | 173.7 | 0 | 0 | 0 | 112.9 | ||||
| 1676 | G | 29 | Very low | 28.3 | Very low | 68.4 Ų | 68.4 | 130.8 Ų | 130.8 | 71% | 0.705 | 78% | 0.778 | S | S | * | * | trans | 161.7 | 129.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1677 | V | 28.5 | Very low | 28.2 | Very low | 148 Ų | 148 | 127.1 Ų | 127.1 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | trans | 60.2 | 128 | 166.9 | -173.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1678 | G | 27.1 | Very low | 28.2 | Very low | 65.6 Ų | 65.6 | 125.4 Ų | 125.4 | 68% | 0.676 | 78% | 0.775 | S | S | * | * | trans | -140.1 | 163.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1679 | L | 27.1 | Very low | 28.2 | Very low | 158.6 Ų | 158.6 | 123.4 Ų | 123.4 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | trans | -153.9 | 128.2 | -169.5 | -101 | 129.2 | 0 | 0 | 0 | 112.9 | A1681 | L1679-A1681 PolarHBondContact O-N 3.48Š| ||
| 1680 | I | 27 | Very low | 28.1 | Very low | 136.8 Ų | 136.8 | 128 Ų | 128 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | 27.6 | 122.5 | 125.5 | -59.4 | 162.8 | 0 | 0 | 0 | 117.4 | T2293 K2294 | I1680-T2293 HydrophobicContact CD1-CG2 4.03Å; I1680-T2293 VanDerWaalsContact CG2-CB 3.48Å; I1680-T2293 WeakPolarHBondContact CG2-O 3.29Å; I1680-K2294 HydrophobicContact CB-CG 4.33Å; I1680-K2294 HydrophobicContact CG2-CB 4.25Å; I1680-K2294 HydrophobicContact CG2-CG 3.68Å; I1680-K2294 VanDerWaalsContact CG2-N 3.32Å | |||
| 1681 | A | 28.2 | Very low | 28 | Very low | 85.4 Ų | 85.4 | 126.4 Ų | 126.4 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | -147.6 | 151.2 | 145.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1679 K2294 | L1679-A1681 PolarHBondContact O-N 3.48Å; A1681-K2294 WeakPolarHBondContact O-CD 3.46Å; A1681-K2294 WeakPolarHBondContact O-CE 3.48Å; A1681-K2294 PolarHBondContact O-NZ 2.91Å | ||
| 1682 | H | 26.9 | Very low | 27.9 | Very low | 173.8 Ų | 173.8 | 125.2 Ų | 125.2 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | trans | -42.4 | 142.3 | 176 | -78.9 | -104.4 | 0 | 0 | 0 | 116.6 | K2294 E2295 | H1682-K2294 PolarHBondContact CD2-O 2.87Å; H1682-K2294 VanDerWaalsContact CD2-O 3.31Å; H1682-K2294 PolarHBondContact NE2-O 2.86Å; H1682-E2295 VanDerWaalsContact CE1-CG 3.46Å; H1682-E2295 WeakPolarHBondContact CE1-CG 3.42Å | ||
| 1683 | G | 28.2 | Very low | 27.9 | Very low | 70.6 Ų | 70.6 | 129.3 Ų | 129.3 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | trans | 157.7 | 120.6 | 146.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1684 | Q | 26.8 | Very low | 27.9 | Very low | 168.4 Ų | 168.4 | 130 Ų | 130 | 79% | 0.787 | 76% | 0.757 | S | S | * | * | trans | -159.6 | 148.8 | 156.2 | -77.8 | -173.6 | -12.8 | 0 | 0 | 113.6 | ||||
| 1685 | F | 28 | Very low | 27.7 | Very low | 189.8 Ų | 189.8 | 131.5 Ų | 131.5 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | 125.6 | 118.9 | 152.2 | -75.6 | -79.3 | 0 | 0 | 0 | 115.9 | ||||
| 1686 | S | 28.2 | Very low | 27.6 | Very low | 89.8 Ų | 89.8 | 128.9 Ų | 128.9 | 63% | 0.628 | 75% | 0.749 | S | S | * | * | trans | -119.4 | 125.4 | 151.4 | 53.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1687 | N | 27.8 | Very low | 27.5 | Very low | 160 Ų | 160 | 131.4 Ų | 131.4 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | trans | 51.7 | 117.2 | 141.1 | -62.3 | -12.9 | 0 | 0 | 0 | 117.7 | ||||
| 1688 | S | 27.7 | Very low | 27.5 | Very low | 104.8 Ų | 104.8 | 133 Ų | 133 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | -131.4 | 154.6 | 129.9 | 66.1 | 0 | 0 | 0 | 0 | 109.6 | F1690 E1918 | S1688-F1690 PolarHBondContact O-N 3.35Å; S1688-E1918 PolarHBondContact OG-OE1 3.49Å | |||
| 1689 | P | 28.9 | Very low | 27.5 | Very low | 107.8 Ų | 107.8 | 136.9 Ų | 136.9 | 70% | 0.7 | 75% | 0.753 | S | S | * | * | trans | -115.3 | 133.7 | 179.9 | 35.1 | -27.9 | 0 | 0 | 0 | 114.9 | ||||
| 1690 | F | 27.5 | Very low | 27.5 | Very low | 187.6 Ų | 187.6 | 134.6 Ų | 134.6 | 82% | 0.823 | 75% | 0.746 | S | S | * | * | trans | -153.1 | 89.6 | 149.9 | -102.3 | -73.5 | 0 | 0 | 0 | 111.9 | S1688 | S1688-F1690 PolarHBondContact O-N 3.35Š| ||
| 1691 | S | 26.3 | Very low | 27.4 | Very low | 99 Ų | 99 | 132.7 Ų | 132.7 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | trans | -169.4 | 136.1 | 160.5 | -146.2 | 0 | 0 | 0 | 0 | 112.5 | Y1693 Q1921 | S1691-Y1693 PolarHBondContact OG-N 3.49Å; S1691-Y1693 VanDerWaalsContact OG-N 3.08Å; S1691-Q1921 VanDerWaalsContact CB-OE1 3.24Å; S1691-Q1921 PolarHBondContact OG-NE2 3.42Å; S1691-Q1921 PolarHBondContact OG-OE1 3Å | ||
| 1692 | P | 31 | Very low | 27.3 | Very low | 97.8 Ų | 97.8 | 137.7 Ų | 137.7 | 64% | 0.635 | 75% | 0.751 | S | S | * | * | trans | -116.3 | 141.8 | 168.3 | 36.2 | -24.9 | 0 | 0 | 0 | 111.5 | ||||
| 1693 | Y | 27.9 | Very low | 27.2 | Very low | 188 Ų | 188 | 134.1 Ų | 134.1 | 74% | 0.737 | 75% | 0.745 | S | S | * | * | trans | 94.5 | 125.2 | 154.5 | -75.7 | -73.4 | 0 | 0 | 0 | 114.5 | K1353 S1691 I2472 | K1353-Y1693 VanDerWaalsContact NZ-CD2 3.32Å; S1691-Y1693 PolarHBondContact OG-N 3.49Å; S1691-Y1693 VanDerWaalsContact OG-N 3.08Å; Y1693-I2472 WeakPolarHBondContact OH-CD1 3.43Å; Y1693-I2472 VanDerWaalsContact OH-CG1 3.26Å; Y1693-I2472 WeakPolarHBondContact OH-CG1 3.38Å | ||
| 1694 | F | 27.3 | Very low | 27.2 | Very low | 187.6 Ų | 187.6 | 136.1 Ų | 136.1 | 82% | 0.823 | 75% | 0.748 | S | S | * | * | -88.4 | 138.1 | 115 | -99 | -95.4 | 0 | 0 | 0 | 111.1 | T1696 | F1694-T1696 HydrophobicContact CD1-CG2 4.47Š| |||
| 1695 | S | 24.4 | Very low | 27.2 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | -151.9 | 122.5 | 117.5 | -109.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1696 | T | 25.8 | Very low | 27.5 | Very low | 119.2 Ų | 119.2 | 132.3 Ų | 132.3 | 73% | 0.731 | 74% | 0.744 | S | S | * | * | trans | 102.9 | 104.9 | 141.6 | 33.6 | 0 | 0 | 0 | 0 | 116.3 | F1694 | F1694-T1696 HydrophobicContact CD1-CG2 4.47Š| ||
| 1697 | T | 27.3 | Very low | 27.3 | Very low | 121.6 Ų | 121.6 | 139 Ų | 139 | 75% | 0.746 | 76% | 0.757 | S | S | * | * | trans | 30.9 | 106.6 | 157.7 | 46.4 | 0 | 0 | 0 | 0 | 116.4 | L1699 | T1697-L1699 HydrophobicContact CG2-CD1 4.35Š| ||
| 1698 | E | 28.3 | Very low | 27.4 | Very low | 181.6 Ų | 181.6 | 135.1 Ų | 135.1 | 85% | 0.849 | 75% | 0.754 | S | S | * | * | -142.1 | 128.8 | 117.4 | -84.6 | -177.2 | -178.7 | 0 | 0 | 107 | |||||
| 1699 | L | 26.2 | Very low | 27.4 | Very low | 146.4 Ų | 146.4 | 139.4 Ų | 139.4 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | 95 | 129.1 | 69.8 | -88.7 | 164.9 | 0 | 0 | 0 | 113.7 | T1697 | T1697-L1699 HydrophobicContact CG2-CD1 4.35Š| |||
| 1700 | T | 26.8 | Very low | 27.5 | Very low | 111.2 Ų | 111.2 | 140.5 Ų | 140.5 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | trans | 61.6 | 134 | 149.7 | 54.3 | 0 | 0 | 0 | 0 | 116.2 | W1654 | W1654-T1700 HydrophobicContact CD2-CG2 4Å; W1654-T1700 HydrophobicContact CE3-CG2 4.18Å; W1654-T1700 HydrophobicContact CH2-CG2 3.6Å; W1654-T1700 VanDerWaalsContact CZ2-CB 3.44Å; W1654-T1700 HydrophobicContact CZ2-CG2 3.39Å; W1654-T1700 WeakPolarHBondContact CZ2-OG1 3.43Å; W1654-T1700 HydrophobicContact CZ3-CG2 3.97Å | ||
| 1701 | S | 25.7 | Very low | 27.5 | Very low | 97.2 Ų | 97.2 | 137.7 Ų | 137.7 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | 159.4 | 146.8 | 72.9 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1702 | F | 25.7 | Very low | 27.7 | Very low | 189.4 Ų | 189.4 | 139.2 Ų | 139.2 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | trans | -117.6 | 123.3 | 163.9 | -84.9 | -79.2 | 0 | 0 | 0 | 114.4 | N1652 | N1652-F1702 HydrophobicContact CB-CE1 4.41Š| ||
| 1703 | S | 25.8 | Very low | 27.6 | Very low | 97.8 Ų | 97.8 | 141.7 Ų | 141.7 | 68% | 0.684 | 77% | 0.766 | S | S | * | * | 99.1 | 139.9 | 118.7 | 65.2 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1704 | S | 27.9 | Very low | 27.6 | Very low | 112.8 Ų | 112.8 | 143.2 Ų | 143.2 | 79% | 0.789 | 77% | 0.77 | S | S | * | * | trans | 72.9 | 125.9 | 152.8 | -41.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 1705 | M | 27 | Very low | 27.5 | Very low | 176.8 Ų | 176.8 | 142.9 Ų | 142.9 | 87% | 0.871 | 77% | 0.769 | S | S | * | * | trans | 11.6 | 169 | 148.9 | -83.1 | -165.2 | 131.9 | 0 | 0 | 116 | ||||
| 1706 | P | 33 | Very low | 27.7 | Very low | 102 Ų | 102 | 143.5 Ų | 143.5 | 66% | 0.662 | 77% | 0.768 | S | S | * | * | cis | -138.8 | 178.7 | -8.9 | 35 | -13.8 | 0 | 0 | 0 | 116.1 | ||||
| 1707 | Y | 25.5 | Very low | 27.8 | Very low | 231 Ų | 231 | 143.7 Ų | 143.7 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | trans | 21.5 | 124.8 | 156.2 | -80.1 | -78.6 | 0 | 0 | 0 | 119.5 | ||||
| 1708 | G | 28.9 | Very low | 27.8 | Very low | 77.6 Ų | 77.6 | 141.3 Ų | 141.3 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | trans | -174.6 | 129.1 | 150.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1709 | K | 27.8 | Very low | 27.7 | Very low | 194.4 Ų | 194.4 | 141 Ų | 141 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | -118.8 | 146.2 | 174.4 | -111.7 | 179.1 | -177.6 | 177.8 | 0 | 113.4 | ||||
| 1710 | V | 30.9 | Very low | 27.8 | Very low | 132.2 Ų | 132.2 | 141.4 Ų | 141.4 | 80% | 0.801 | 77% | 0.77 | S | S | * | * | trans | 165.1 | 112.9 | 151.6 | 178.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1711 | N | 28.1 | Very low | 27.8 | Very low | 127.4 Ų | 127.4 | 140.6 Ų | 140.6 | 68% | 0.681 | 77% | 0.769 | S | S | * | * | trans | 20.3 | 137.1 | 149.8 | -63.3 | -0.6 | 0 | 0 | 0 | 122.4 | ||||
| 1712 | N | 30.2 | Very low | 27.8 | Very low | 132.2 Ų | 132.2 | 141.3 Ų | 141.3 | 71% | 0.707 | 77% | 0.772 | S | S | * | * | trans | 69.6 | 123.1 | 131.9 | -60.6 | -5.3 | 0 | 0 | 0 | 121 | ||||
| 1713 | N | 28.9 | Very low | 27.8 | Very low | 148.8 Ų | 148.8 | 139.9 Ų | 139.9 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | 112 | 140.9 | 123.3 | -73.3 | -26.1 | 0 | 0 | 0 | 117.9 | |||||
| 1714 | R | 27.1 | Very low | 27.9 | Very low | 219 Ų | 219 | 138.2 Ų | 138.2 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | 94.2 | 125.6 | 134.2 | -109.8 | -176.2 | 172.7 | 156.4 | -0.6 | 118.1 | V1716 | R1714-V1716 PolarHBondContact O-N 3.45Š| ||
| 1715 | F | 26 | Very low | 27.8 | Very low | 182.6 Ų | 182.6 | 140.5 Ų | 140.5 | 80% | 0.801 | 77% | 0.768 | S | S | * | * | trans | 52.2 | 150.6 | 134.2 | -91.9 | -115.8 | 0 | 0 | 0 | 116.8 | ||||
| 1716 | V | 29 | Very low | 27.8 | Very low | 112.2 Ų | 112.2 | 136.6 Ų | 136.6 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | 160.3 | 129.4 | 118 | 171 | 0 | 0 | 0 | 0 | 112.3 | R1714 | R1714-V1716 PolarHBondContact O-N 3.45Š| |||
| 1717 | T | 27.1 | Very low | 27.6 | Very low | 123.6 Ų | 123.6 | 139.9 Ų | 139.9 | 76% | 0.758 | 77% | 0.765 | S | S | * | * | trans | 53.1 | 138.4 | 137.8 | 59 | 0 | 0 | 0 | 0 | 117 | ||||
| 1718 | G | 27.9 | Very low | 27.8 | Very low | 70.6 Ų | 70.6 | 133 Ų | 133 | 73% | 0.728 | 75% | 0.748 | S | S | * | * | cis | 167.9 | 149.9 | 33 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1719 | E | 26 | Very low | 27.7 | Very low | 175.2 Ų | 175.2 | 139.7 Ų | 139.7 | 82% | 0.819 | 75% | 0.749 | S | S | * | * | trans | -154.7 | 157.6 | -157.5 | -85.3 | 170.6 | 137.6 | 0 | 0 | 111 | ||||
| 1720 | L | 28.2 | Very low | 27.6 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | trans | 168.1 | 148.4 | 159 | -95.6 | 87.5 | 0 | 0 | 0 | 113.1 | ||||
| 1721 | S | 26.6 | Very low | 27.5 | Very low | 94.4 Ų | 94.4 | 137.7 Ų | 137.7 | 66% | 0.66 | 75% | 0.748 | S | S | * | * | cis | 167.7 | 157.2 | 0.3 | 67.3 | 0 | 0 | 0 | 0 | 110.5 | I1723 | S1721-I1723 VanDerWaalsContact OG-CD1 3.25Å; S1721-I1723 WeakPolarHBondContact OG-CD1 3.15Å | ||
| 1722 | C | 25.9 | Very low | 27.4 | Very low | 112.2 Ų | 112.2 | 135.6 Ų | 135.6 | 76% | 0.758 | 75% | 0.748 | S | S | * | * | cis | -152.2 | 146.8 | 37.6 | 49.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1723 | I | 26.2 | Very low | 27.3 | Very low | 159.2 Ų | 159.2 | 138 Ų | 138 | 82% | 0.816 | 75% | 0.753 | S | S | * | * | 101.7 | 132.9 | 100.1 | -57.5 | 172.2 | 0 | 0 | 0 | 112.6 | S1721 | S1721-I1723 VanDerWaalsContact OG-CD1 3.25Å; S1721-I1723 WeakPolarHBondContact OG-CD1 3.15Å | |||
| 1724 | G | 27 | Very low | 27.3 | Very low | 61.8 Ų | 61.8 | 135.6 Ų | 135.6 | 64% | 0.637 | 75% | 0.747 | S | S | * | * | trans | 155.1 | 124.1 | 148.9 | 0 | 0 | 0 | 0 | 0 | 116 | S1011 | S1011-G1724 WeakPolarHBondContact CB-O 3.18Å; S1011-G1724 PolarHBondContact OG-O 3.42Å | ||
| 1725 | Q | 27.1 | Very low | 27.4 | Very low | 160.4 Ų | 160.4 | 131 Ų | 131 | 75% | 0.75 | 74% | 0.744 | S | S | * | * | trans | 101.1 | 138.5 | 163.9 | -85.3 | -176.9 | 24.1 | 0 | 0 | 116.1 | D1007 R1010 | D1007-Q1725 PolarHBondContact O-NE2 3.03Å; D1007-Q1725 VanDerWaalsContact O-NE2 3.11Å; D1007-Q1725 PolarHBondContact OD1-NE2 3.15Å; R1010-Q1725 VanDerWaalsContact CB-CD 3.46Å; R1010-Q1725 HydrophobicContact CB-CG 4.09Å; R1010-Q1725 VanDerWaalsContact CD-OE1 3.27Å; R1010-Q1725 VanDerWaalsContact NE-OE1 3.14Å | ||
| 1726 | S | 27.1 | Very low | 27.6 | Very low | 96.2 Ų | 96.2 | 126.2 Ų | 126.2 | 67% | 0.673 | 74% | 0.737 | S | S | * | * | 104.5 | 141.9 | 126.3 | 59.4 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 1727 | Q | 27.5 | Very low | 27.6 | Very low | 171.4 Ų | 171.4 | 128.3 Ų | 128.3 | 80% | 0.801 | 74% | 0.744 | S | S | * | * | 124.1 | 153.3 | 107.6 | -68 | -63.5 | -26 | 0 | 0 | 115.8 | |||||
| 1728 | P | 31.3 | Very low | 27.7 | Very low | 86.2 Ų | 86.2 | 127.6 Ų | 127.6 | 56% | 0.56 | 74% | 0.744 | S | S | * | * | trans | -117.4 | 170.6 | -161.2 | 42.4 | -32.7 | 0 | 0 | 0 | 115 | ||||
| 1729 | W | 24.9 | Very low | 27.8 | Very low | 217.6 Ų | 217.6 | 127.3 Ų | 127.3 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | trans | 178.3 | 141 | 147.9 | -83.8 | -38.3 | 0 | 0 | 0 | 114.5 | ||||
| 1730 | N | 26.3 | Very low | 27.9 | Very low | 147 Ų | 147 | 125.1 Ų | 125.1 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | trans | -93.4 | 146.2 | 159.2 | -84.9 | -36.3 | 0 | 0 | 0 | 114.1 | ||||
| 1731 | V | 28.1 | Very low | 28 | Very low | 137.2 Ų | 137.2 | 123.4 Ų | 123.4 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | trans | 172.4 | 121.2 | 141.7 | -179.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1732 | A | 27.9 | Very low | 28 | Very low | 82.8 Ų | 82.8 | 126.3 Ų | 126.3 | 68% | 0.684 | 74% | 0.744 | S | S | * | * | trans | 11.2 | 150.4 | 131.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1733 | K | 27.7 | Very low | 27.9 | Very low | 184.4 Ų | 184.4 | 125.6 Ų | 125.6 | 80% | 0.802 | 74% | 0.739 | S | S | * | * | -177.9 | 134.9 | 87.4 | -125 | 172.9 | -177.5 | 178.5 | 0 | 114.5 | Q1648 S1649 | Q1648-K1733 VanDerWaalsContact CB-O 3.32Å; Q1648-K1733 WeakPolarHBondContact CB-O 3.46Å; Q1648-K1733 PolarHBondContact OE1-O 3.07Å; S1649-K1733 VanDerWaalsContact OG-C 3.29Å; S1649-K1733 PolarHBondContact OG-O 3.36Å | |||
| 1734 | S | 28.4 | Very low | 27.9 | Very low | 97.4 Ų | 97.4 | 125.7 Ų | 125.7 | 68% | 0.681 | 74% | 0.736 | S | S | * | * | trans | 111.9 | 132.4 | 144.7 | -64.8 | 0 | 0 | 0 | 0 | 114 | Q1648 S1649 | Q1648-S1734 CarbonylContact C-O 3.37Å; Q1648-S1734 VanDerWaalsContact O-O 3.09Å; S1649-S1734 PolarHBondContact N-O 3.03Å; S1649-S1734 PolarHBondContact OG-N 2.77Å | ||
| 1735 | T | 29.3 | Very low | 27.8 | Very low | 123.2 Ų | 123.2 | 128.7 Ų | 128.7 | 76% | 0.756 | 74% | 0.737 | S | S | * | * | cis | 106.7 | 149.3 | 32.1 | 42.6 | 0 | 0 | 0 | 0 | 113.4 | S1649 | S1649-T1735 PolarHBondContact O-N 3.29Š| ||
| 1736 | A | 29.7 | Very low | 27.9 | Very low | 80.4 Ų | 80.4 | 130.9 Ų | 130.9 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | cis | 175.7 | 172.1 | -8.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1737 | L | 29.5 | Very low | 27.9 | Very low | 157.4 Ų | 157.4 | 132.9 Ų | 132.9 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | trans | 62.1 | 126.7 | 159.4 | -74.1 | 91.9 | 0 | 0 | 0 | 119.4 | ||||
| 1738 | S | 28.6 | Very low | 27.9 | Very low | 108.4 Ų | 108.4 | 129.4 Ų | 129.4 | 76% | 0.758 | 74% | 0.737 | S | S | * | * | 76.2 | 139 | 85.4 | 22.5 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 1739 | G | 30.6 | Very low | 27.8 | Very low | 65 Ų | 65 | 131.3 Ų | 131.3 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | trans | 135.3 | 108 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1740 | T | 28.7 | Very low | 28.1 | Very low | 127.8 Ų | 127.8 | 126.5 Ų | 126.5 | 78% | 0.784 | 75% | 0.746 | S | S | * | * | 51.6 | 114 | 98.2 | 56.4 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 1741 | T | 29.4 | Very low | 28.3 | Very low | 121.6 Ų | 121.6 | 122.8 Ų | 122.8 | 75% | 0.746 | 74% | 0.743 | S | S | * | * | trans | 108.9 | 132.8 | 130.4 | 39.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1742 | L | 26.5 | Very low | 28.4 | Very low | 155.4 Ų | 155.4 | 123.8 Ų | 123.8 | 81% | 0.814 | 74% | 0.744 | S | S | * | * | 68.2 | 133.3 | 124.3 | -78.5 | 167.7 | 0 | 0 | 0 | 120 | |||||
| 1743 | C | 24.3 | Very low | 28.4 | Very low | 96 Ų | 96 | 124.8 Ų | 124.8 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | trans | 87.5 | 138.1 | 148.2 | -79.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1744 | Q | 26.9 | Very low | 28.4 | Very low | 162.4 Ų | 162.4 | 123.5 Ų | 123.5 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | 84.4 | 131.1 | 133.5 | -79.1 | 166.8 | -52 | 0 | 0 | 119.3 | ||||
| 1745 | N | 24.9 | Very low | 28.4 | Very low | 125.4 Ų | 125.4 | 123.3 Ų | 123.3 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | trans | 53.6 | 147.9 | 133.6 | -61.5 | -9.6 | 0 | 0 | 0 | 118.1 | ||||
| 1746 | Y | 27.7 | Very low | 28.2 | Very low | 205.4 Ų | 205.4 | 123.4 Ų | 123.4 | 81% | 0.805 | 75% | 0.745 | S | S | * | * | 148.8 | 119.9 | 129.3 | -92.2 | -80.2 | 0 | 0 | 0 | 114.8 | |||||
| 1747 | I | 27.1 | Very low | 28.1 | Very low | 138.8 Ų | 138.8 | 125.7 Ų | 125.7 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | 84.5 | 134.4 | 121.7 | -80.5 | -178.3 | 0 | 0 | 0 | 115.1 | |||||
| 1748 | S | 28.2 | Very low | 27.9 | Very low | 98.2 Ų | 98.2 | 123.4 Ų | 123.4 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | 144.5 | 145.3 | 126.1 | -70 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1749 | T | 28.7 | Very low | 28 | Very low | 125.2 Ų | 125.2 | 123.6 Ų | 123.6 | 77% | 0.768 | 75% | 0.75 | S | S | * | * | 87.5 | 143.1 | 103.7 | 31.8 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1750 | S | 31.2 | Very low | 27.8 | Very low | 116.6 Ų | 116.6 | 125.5 Ų | 125.5 | 82% | 0.815 | 75% | 0.753 | S | S | * | * | cis | 139.4 | 139.3 | 12.7 | 54.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1751 | G | 31.5 | Very low | 27.9 | Very low | 69.2 Ų | 69.2 | 124.9 Ų | 124.9 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | 163.8 | 140.1 | 130 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1752 | N | 29.1 | Very low | 27.9 | Very low | 159.6 Ų | 159.6 | 122.3 Ų | 122.3 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | trans | -14.2 | 145.7 | 156.2 | -81.7 | -11.6 | 0 | 0 | 0 | 113.7 | ||||
| 1753 | S | 28.5 | Very low | 28 | Very low | 102.8 Ų | 102.8 | 124.5 Ų | 124.5 | 72% | 0.719 | 75% | 0.754 | S | S | * | * | 77.9 | 141.8 | 105.1 | 57.3 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 1754 | L | 27.7 | Very low | 28.1 | Very low | 156.8 Ų | 156.8 | 126.5 Ų | 126.5 | 82% | 0.821 | 76% | 0.759 | S | S | * | * | 118.8 | 144.4 | 112.3 | -132.6 | 71.7 | 0 | 0 | 0 | 116.3 | |||||
| 1755 | S | 27.9 | Very low | 28.1 | Very low | 94.4 Ų | 94.4 | 128.8 Ų | 128.8 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | trans | 83.6 | 157.1 | 133.7 | 59.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1756 | T | 26 | Very low | 28.3 | Very low | 123.8 Ų | 123.8 | 129.9 Ų | 129.9 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | 121.8 | 149 | 68.5 | 30.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1757 | V | 27 | Very low | 28.2 | Very low | 129.6 Ų | 129.6 | 125.8 Ų | 125.8 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 84.5 | 128.9 | 141.8 | -161.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1758 | S | 26.6 | Very low | 28.4 | Very low | 108.6 Ų | 108.6 | 122.5 Ų | 122.5 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | -99.6 | 147.9 | 128.3 | -46.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1759 | S | 29.7 | Very low | 28.3 | Very low | 113.4 Ų | 113.4 | 126.4 Ų | 126.4 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | trans | 153.2 | 144.4 | 136.5 | 61.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 1760 | S | 27 | Very low | 28.3 | Very low | 105.4 Ų | 105.4 | 127.3 Ų | 127.3 | 74% | 0.737 | 77% | 0.774 | S | S | * | * | trans | 178.7 | 148.1 | 168.1 | 61.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1761 | S | 31 | Very low | 28.2 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | 110.1 | 147.3 | 165.7 | 47.4 | 0 | 0 | 0 | 0 | 113.8 | Y1789 | S1761-Y1789 WeakPolarHBondContact CA-OH 3.25Å; S1761-Y1789 PolarHBondContact N-OH 2.89Å; S1761-Y1789 PolarHBondContact OG-OH 3.21Å | ||
| 1762 | G | 29.6 | Very low | 28 | Very low | 67.4 Ų | 67.4 | 131.3 Ų | 131.3 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | cis | 131 | 138.6 | 40.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1763 | F | 27.2 | Very low | 28.1 | Very low | 201 Ų | 201 | 129.6 Ų | 129.6 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | trans | -60.4 | 144.4 | 157.5 | -69 | -94.9 | 0 | 0 | 0 | 114.9 | ||||
| 1764 | N | 26.7 | Very low | 28.1 | Very low | 139.2 Ų | 139.2 | 132.5 Ų | 132.5 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | trans | 107.4 | 136.3 | 132.5 | -70.6 | -42.7 | 0 | 0 | 0 | 115 | ||||
| 1765 | Y | 26.8 | Very low | 28.3 | Very low | 210.4 Ų | 210.4 | 135.2 Ų | 135.2 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | 117.5 | 142.5 | 108.4 | -113.3 | -84.4 | 0 | 0 | 0 | 116.4 | |||||
| 1766 | I | 29.1 | Very low | 28.4 | Very low | 148.8 Ų | 148.8 | 133.6 Ų | 133.6 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | trans | 69.8 | 124 | 161.7 | -56.2 | 175.4 | 0 | 0 | 0 | 116.6 | ||||
| 1767 | S | 26.5 | Very low | 28.7 | Very low | 117.6 Ų | 117.6 | 133 Ų | 133 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | cis | 177.2 | 147 | 38.6 | -142 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1768 | G | 30 | Very low | 28.9 | Very low | 69.8 Ų | 69.8 | 133.7 Ų | 133.7 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | 154.5 | 119.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1769 | Q | 27.7 | Very low | 29.1 | Very low | 181.4 Ų | 181.4 | 135.6 Ų | 135.6 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | -153.7 | 140 | 94.6 | -75.5 | -167 | -24.6 | 0 | 0 | 112.4 | |||||
| 1770 | I | 28.2 | Very low | 29.3 | Very low | 143.2 Ų | 143.2 | 135.4 Ų | 135.4 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | 150.7 | 121.1 | 134.1 | -72.1 | 169.5 | 0 | 0 | 0 | 112.1 | ||||
| 1771 | N | 28.5 | Very low | 29.4 | Very low | 142.6 Ų | 142.6 | 136.3 Ų | 136.3 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | 157.1 | 146 | 86.6 | -99.2 | -16.6 | 0 | 0 | 0 | 116 | |||||
| 1772 | V | 27.9 | Very low | 29.4 | Very low | 126.8 Ų | 126.8 | 136 Ų | 136 | 77% | 0.768 | 76% | 0.764 | S | S | * | * | trans | -179.8 | 126.8 | 135.4 | 173 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1773 | T | 30 | Very low | 29.3 | Very low | 125.2 Ų | 125.2 | 139.9 Ų | 139.9 | 77% | 0.768 | 77% | 0.769 | S | S | * | * | trans | 165.2 | 156.9 | 164.4 | 40.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1774 | K | 29.4 | Very low | 29.5 | Very low | 162.4 Ų | 162.4 | 136.4 Ų | 136.4 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | cis | -175.6 | 150.5 | -14.5 | -162.2 | 175 | -180 | -170.9 | 0 | 109.7 | ||||
| 1775 | Y | 30.9 | Very low | 29.6 | Very low | 213.8 Ų | 213.8 | 134.6 Ų | 134.6 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | 82.3 | 142.1 | 172.7 | -60.7 | -77.4 | 0 | 0 | 0 | 115.6 | ||||
| 1776 | G | 31 | Very low | 29.6 | Very low | 62.2 Ų | 62.2 | 129.4 Ų | 129.4 | 64% | 0.641 | 76% | 0.757 | S | S | * | * | cis | 161 | 133 | -13.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1777 | S | 32.8 | Very low | 29.6 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | 78.5 | 136.2 | 169.5 | 85.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1778 | N | 30.5 | Very low | 29.5 | Very low | 142.6 Ų | 142.6 | 128.9 Ų | 128.9 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | cis | 165.7 | 133.7 | 12.1 | -103.2 | -6.4 | 0 | 0 | 0 | 111.7 | ||||
| 1779 | I | 31.7 | Very low | 29.4 | Very low | 148.6 Ų | 148.6 | 135.2 Ų | 135.2 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | 170.1 | 146.6 | 99.2 | -69.3 | 167.8 | 0 | 0 | 0 | 112.4 | T1781 | I1779-T1781 HydrophobicContact CG2-CG2 3.91Š| |||
| 1780 | P | 32.8 | Very low | 29.4 | Very low | 109.8 Ų | 109.8 | 131.7 Ų | 131.7 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | trans | -126 | 167.1 | 171.6 | 36.2 | -19.4 | 0 | 0 | 0 | 115.6 | ||||
| 1781 | T | 28.7 | Very low | 29.5 | Very low | 125.4 Ų | 125.4 | 128.5 Ų | 128.5 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | 52 | 126.6 | 145.2 | 62.9 | 0 | 0 | 0 | 0 | 119.8 | I1779 | I1779-T1781 HydrophobicContact CG2-CG2 3.91Š| ||
| 1782 | S | 31 | Very low | 29.4 | Very low | 107.6 Ų | 107.6 | 130.9 Ų | 130.9 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | -166.1 | 141.6 | 125.7 | 61.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1783 | N | 28.8 | Very low | 29.4 | Very low | 148.8 Ų | 148.8 | 129.9 Ų | 129.9 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | trans | 108.1 | 132.1 | 155.8 | -75.2 | -17.2 | 0 | 0 | 0 | 114.6 | ||||
| 1784 | V | 29.8 | Very low | 29.2 | Very low | 126.8 Ų | 126.8 | 128.7 Ų | 128.7 | 77% | 0.768 | 76% | 0.756 | S | S | * | * | 122.7 | 126.1 | 108.3 | -176.5 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1785 | S | 29.7 | Very low | 29.1 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -0.2 | 145.1 | 147.5 | 55.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1786 | S | 27 | Very low | 28.8 | Very low | 102 Ų | 102 | 121.8 Ų | 121.8 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | -97.4 | 136.5 | 108.9 | 44.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1787 | I | 27.9 | Very low | 28.6 | Very low | 150.8 Ų | 150.8 | 124 Ų | 124 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | 88.3 | 112.6 | 128.8 | -58.3 | 172.3 | 0 | 0 | 0 | 113.2 | Y1789 | I1787-Y1789 HydrophobicContact CG2-CD2 4.05Å; I1787-Y1789 HydrophobicContact CG2-CE2 4.34Å | |||
| 1788 | S | 25.9 | Very low | 28.2 | Very low | 105.2 Ų | 105.2 | 124.4 Ų | 124.4 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | -122.7 | 140.7 | 138.8 | 41 | 0 | 0 | 0 | 0 | 112 | ||||
| 1789 | Y | 27.8 | Very low | 28 | Very low | 202 Ų | 202 | 128.2 Ų | 128.2 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | trans | -94.3 | 119.3 | 157.6 | -83.7 | -80.2 | 0 | 0 | 0 | 113 | S1761 I1787 | S1761-Y1789 WeakPolarHBondContact CA-OH 3.25Å; S1761-Y1789 PolarHBondContact N-OH 2.89Å; S1761-Y1789 PolarHBondContact OG-OH 3.21Å; I1787-Y1789 HydrophobicContact CG2-CD2 4.05Å; I1787-Y1789 HydrophobicContact CG2-CE2 4.34Å | ||
| 1790 | S | 26.9 | Very low | 27.7 | Very low | 107.2 Ų | 107.2 | 126.4 Ų | 126.4 | 75% | 0.75 | 77% | 0.767 | S | S | * | * | 78.4 | 112.9 | 68.2 | 74.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1791 | G | 29.7 | Very low | 27.3 | Very low | 75.8 Ų | 75.8 | 124.9 Ų | 124.9 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | trans | -146.4 | 116.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1792 | Q | 26.5 | Very low | 27.2 | Very low | 194 Ų | 194 | 123.7 Ų | 123.7 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | trans | -63.2 | 133 | 135 | -65 | -179.4 | -15.1 | 0 | 0 | 111.9 | ||||
| 1793 | S | 27.8 | Very low | 27 | Very low | 105.2 Ų | 105.2 | 124.1 Ų | 124.1 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | -164.9 | 136.6 | 120.7 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1794 | S | 26 | Very low | 26.8 | Very low | 100 Ų | 100 | 121.8 Ų | 121.8 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | 43.6 | 138.2 | 134 | 73.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1795 | V | 27 | Very low | 26.7 | Very low | 138.4 Ų | 138.4 | 123.1 Ų | 123.1 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | -130.2 | 151.1 | 138.3 | -108.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1796 | A | 25.3 | Very low | 26.5 | Very low | 94.2 Ų | 94.2 | 124.3 Ų | 124.3 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | trans | -144.6 | 124.5 | 147.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1797 | S | 26.3 | Very low | 26.4 | Very low | 106.8 Ų | 106.8 | 128.6 Ų | 128.6 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | trans | 164.8 | 132.8 | 162 | 53.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1798 | T | 25.7 | Very low | 26.3 | Very low | 120.8 Ų | 120.8 | 127.2 Ų | 127.2 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | trans | 172.8 | 143.9 | 137.9 | 3.1 | 0 | 0 | 0 | 0 | 114.6 | S1800 | T1798-S1800 WeakPolarHBondContact CB-OG 3.41Å; T1798-S1800 PolarHBondContact O-N 3.41Å | ||
| 1799 | W | 25.4 | Very low | 26.3 | Very low | 220.8 Ų | 220.8 | 129.2 Ų | 129.2 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | trans | -56.6 | 131.9 | 156.9 | -66.3 | -38.2 | 0 | 0 | 0 | 113.7 | F1406 | F1406-W1799 HydrophobicContact CZ-CH2 4.04Å; F1406-W1799 HydrophobicContact CZ-CZ2 4.38Å | ||
| 1800 | S | 25.1 | Very low | 26.2 | Very low | 111.8 Ų | 111.8 | 129.5 Ų | 129.5 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | 149.6 | 137.3 | 81.7 | -21.9 | 0 | 0 | 0 | 0 | 112.6 | T1798 | T1798-S1800 WeakPolarHBondContact CB-OG 3.41Å; T1798-S1800 PolarHBondContact O-N 3.41Å | |||
| 1801 | G | 24.7 | Very low | 26.2 | Very low | 79.2 Ų | 79.2 | 130.4 Ų | 130.4 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | trans | 123.5 | 97.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1802 | A | 26.8 | Very low | 26.1 | Very low | 99.2 Ų | 99.2 | 130.3 Ų | 130.3 | 82% | 0.82 | 78% | 0.776 | S | S | * | * | trans | -156 | 134.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1804 | A1802-S1804 PolarHBondContact O-N 3.26Š| ||
| 1803 | S | 26.2 | Very low | 26.2 | Very low | 116.6 Ų | 116.6 | 127.3 Ų | 127.3 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | trans | -105.9 | 115.7 | 169.9 | 54.7 | 0 | 0 | 0 | 0 | 111.9 | I1805 | S1803-I1805 PolarHBondContact O-N 3.1Å; S1803-I1805 VanDerWaalsContact O-N 3.08Å | ||
| 1804 | S | 24.9 | Very low | 26.1 | Very low | 101 Ų | 101 | 129.2 Ų | 129.2 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -104.3 | 121 | 165.3 | -51 | 0 | 0 | 0 | 0 | 111.8 | A1802 N1806 | A1802-S1804 PolarHBondContact O-N 3.26Å; S1804-N1806 PolarHBondContact O-N 3Å | ||
| 1805 | I | 28.4 | Very low | 26.3 | Very low | 153.8 Ų | 153.8 | 130.1 Ų | 130.1 | 79% | 0.789 | 78% | 0.775 | S | S | * | * | trans | -117.9 | 115.5 | 139.3 | -62 | 178.9 | 0 | 0 | 0 | 108.1 | S1803 Y1807 | S1803-I1805 PolarHBondContact O-N 3.1Å; S1803-I1805 VanDerWaalsContact O-N 3.08Å; I1805-Y1807 HydrophobicContact CG2-CD2 3.85Å; I1805-Y1807 HydrophobicContact CG2-CE2 3.72Å; I1805-Y1807 PolarHBondContact O-N 2.85Å | ||
| 1806 | N | 24.8 | Very low | 26.3 | Very low | 124.6 Ų | 124.6 | 129.6 Ų | 129.6 | 67% | 0.666 | 77% | 0.772 | S | S | * | * | trans | -32.8 | 135.8 | 155.4 | -69.6 | -29.5 | 0 | 0 | 0 | 114.7 | S1804 T1808 | S1804-N1806 PolarHBondContact O-N 3Å; N1806-T1808 VanDerWaalsContact C-N 3.35Å; N1806-T1808 PolarHBondContact O-N 3.12Å | ||
| 1807 | Y | 25.4 | Very low | 26.5 | Very low | 193.8 Ų | 193.8 | 130.5 Ų | 130.5 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | trans | -29.8 | 123.6 | 150.5 | -63.3 | -71.9 | 0 | 0 | 0 | 115.4 | I1805 L1809 | I1805-Y1807 HydrophobicContact CG2-CD2 3.85Å; I1805-Y1807 HydrophobicContact CG2-CE2 3.72Å; I1805-Y1807 PolarHBondContact O-N 2.85Å; Y1807-L1809 PolarHBondContact O-N 3.31Å | ||
| 1808 | T | 26.3 | Very low | 26.5 | Very low | 120.6 Ų | 120.6 | 129.7 Ų | 129.7 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | -114 | 149.6 | 127.8 | 6.7 | 0 | 0 | 0 | 0 | 113.3 | N1806 | N1806-T1808 VanDerWaalsContact C-N 3.35Å; N1806-T1808 PolarHBondContact O-N 3.12Å | |||
| 1809 | L | 25.7 | Very low | 26.6 | Very low | 147.2 Ų | 147.2 | 134.8 Ų | 134.8 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | trans | -80.6 | 133.3 | 168.3 | -92.5 | 113.8 | 0 | 0 | 0 | 114.3 | Y1807 | Y1807-L1809 PolarHBondContact O-N 3.31Š| ||
| 1810 | Y | 25.8 | Very low | 26.8 | Very low | 207.6 Ų | 207.6 | 129.4 Ų | 129.4 | 81% | 0.814 | 77% | 0.769 | S | S | * | * | trans | -127.2 | 126.5 | 145.3 | -103 | -95.9 | 0 | 0 | 0 | 113.2 | G1812 | Y1810-G1812 PolarHBondContact O-N 2.86Š| ||
| 1811 | T | 25.9 | Very low | 27 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | trans | -51.7 | 127.2 | 142.8 | 56 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1812 | G | 27.3 | Very low | 27.1 | Very low | 72.8 Ų | 72.8 | 131.1 Ų | 131.1 | 75% | 0.751 | 77% | 0.766 | S | S | * | * | trans | 178.9 | 126.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1810 | Y1810-G1812 PolarHBondContact O-N 2.86Š| ||
| 1813 | T | 28.5 | Very low | 27.2 | Very low | 131.2 Ų | 131.2 | 134.3 Ų | 134.3 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | trans | -116.6 | 141.2 | 167.2 | 49 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1814 | N | 26.9 | Very low | 27.2 | Very low | 146.6 Ų | 146.6 | 132.9 Ų | 132.9 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | trans | 77.1 | 137.7 | 156.8 | -65.5 | -21.5 | 0 | 0 | 0 | 115.4 | ||||
| 1815 | T | 29.1 | Very low | 27.3 | Very low | 118.8 Ų | 118.8 | 134.5 Ų | 134.5 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | 156.8 | 127 | 120.2 | 33 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1816 | T | 28.6 | Very low | 27.2 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | 58.1 | 121.4 | 138.1 | 49.5 | 0 | 0 | 0 | 0 | 119.5 | A1818 | T1816-A1818 PolarHBondContact O-N 3.46Š| ||
| 1817 | S | 27.7 | Very low | 27.3 | Very low | 112.8 Ų | 112.8 | 130.7 Ų | 130.7 | 79% | 0.789 | 77% | 0.77 | S | S | * | * | trans | 103.3 | 118.9 | 142.8 | -166.7 | 0 | 0 | 0 | 0 | 116.8 | R1819 | S1817-R1819 VanDerWaalsContact C-N 3.3Å; S1817-R1819 PolarHBondContact O-N 2.99Å | ||
| 1818 | A | 28.3 | Very low | 27.4 | Very low | 89.2 Ų | 89.2 | 127.8 Ų | 127.8 | 74% | 0.737 | 77% | 0.772 | S | S | * | * | trans | -8 | 115.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | V1575 T1816 V1820 | V1575-A1818 HydrophobicContact CG2-CB 4.27Å; T1816-A1818 PolarHBondContact O-N 3.46Å; A1818-V1820 PolarHBondContact O-N 3.08Å | ||
| 1819 | R | 27.5 | Very low | 27.5 | Very low | 228.2 Ų | 228.2 | 128 Ų | 128 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | trans | -131.6 | 128 | 148.9 | -96.1 | 177.3 | 172.8 | 171 | -2.2 | 113.5 | G1574 S1817 | G1574-R1819 PolarHBondContact O-NH2 2.87Å; S1817-R1819 VanDerWaalsContact C-N 3.3Å; S1817-R1819 PolarHBondContact O-N 2.99Å | ||
| 1820 | V | 28.7 | Very low | 27.6 | Very low | 107.6 Ų | 107.6 | 126.8 Ų | 126.8 | 65% | 0.652 | 77% | 0.773 | S | S | * | * | trans | -45.9 | 129.7 | 159.6 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | S1573 A1818 S1822 | S1573-V1820 VanDerWaalsContact OG-CG2 3.31Å; S1573-V1820 WeakPolarHBondContact OG-CG2 3.38Å; A1818-V1820 PolarHBondContact O-N 3.08Å; V1820-S1822 PolarHBondContact O-N 3.18Å | ||
| 1821 | P | 29.4 | Very low | 27.8 | Very low | 121.6 Ų | 121.6 | 124.9 Ų | 124.9 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -90.9 | 115.9 | 157.7 | 33.1 | -30.3 | 0 | 0 | 0 | 112 | I1823 | P1821-I1823 PolarHBondContact O-N 2.85Å; P1821-I1823 VanDerWaalsContact O-N 3.14Å | ||
| 1822 | S | 27.3 | Very low | 27.9 | Very low | 105.4 Ų | 105.4 | 123.9 Ų | 123.9 | 74% | 0.737 | 77% | 0.774 | S | S | * | * | trans | -86 | 114.4 | 168.8 | -56.9 | 0 | 0 | 0 | 0 | 111 | V1820 A1824 | V1820-S1822 PolarHBondContact O-N 3.18Å; S1822-A1824 PolarHBondContact O-N 3.07Å; S1822-A1824 VanDerWaalsContact O-N 3.16Å | ||
| 1823 | I | 27.7 | Very low | 28 | Very low | 165.2 Ų | 165.2 | 127.4 Ų | 127.4 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | trans | -127.7 | 122.8 | 167.8 | -74 | 164 | 0 | 0 | 0 | 108.4 | P1821 V1825 | P1821-I1823 PolarHBondContact O-N 2.85Å; P1821-I1823 VanDerWaalsContact O-N 3.14Å; I1823-V1825 HydrophobicContact CG2-CG2 3.81Å | ||
| 1824 | A | 27.1 | Very low | 28 | Very low | 87.8 Ų | 87.8 | 124.7 Ų | 124.7 | 73% | 0.726 | 78% | 0.779 | S | S | * | * | trans | -120.3 | 120.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | S1822 S1826 | S1822-A1824 PolarHBondContact O-N 3.07Å; S1822-A1824 VanDerWaalsContact O-N 3.16Å; A1824-S1826 VanDerWaalsContact C-N 3.34Å; A1824-S1826 PolarHBondContact O-N 2.88Å | ||
| 1825 | V | 27.1 | Very low | 28.1 | Very low | 134.4 Ų | 134.4 | 122.3 Ų | 122.3 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | trans | -76.1 | 106 | 154.2 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | I1823 A1827 | I1823-V1825 HydrophobicContact CG2-CG2 3.81Å; V1825-A1827 PolarHBondContact O-N 3.08Å; V1825-A1827 VanDerWaalsContact O-N 3.16Å | ||
| 1826 | S | 26 | Very low | 28.2 | Very low | 112.6 Ų | 112.6 | 127.4 Ų | 127.4 | 79% | 0.787 | 78% | 0.781 | S | S | * | * | trans | -100.4 | 93.6 | 167.7 | -86.4 | 0 | 0 | 0 | 0 | 110.7 | A1824 V1828 | A1824-S1826 VanDerWaalsContact C-N 3.34Å; A1824-S1826 PolarHBondContact O-N 2.88Å; S1826-V1828 VanDerWaalsContact C-N 3.28Å; S1826-V1828 PolarHBondContact O-N 3.09Å | ||
| 1827 | A | 27.1 | Very low | 28.2 | Very low | 86.8 Ų | 86.8 | 126.5 Ų | 126.5 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | trans | -71.8 | 109.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112 | V1825 T1829 | V1825-A1827 PolarHBondContact O-N 3.08Å; V1825-A1827 VanDerWaalsContact O-N 3.16Å; A1827-T1829 PolarHBondContact O-N 3.09Å; A1827-T1829 VanDerWaalsContact O-N 3.13Å | ||
| 1828 | V | 27.3 | Very low | 28.4 | Very low | 132.6 Ų | 132.6 | 126 Ų | 126 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -90.3 | 104.8 | 168.3 | 179.6 | 0 | 0 | 0 | 0 | 109.2 | S1826 T1830 | S1826-V1828 VanDerWaalsContact C-N 3.28Å; S1826-V1828 PolarHBondContact O-N 3.09Å; V1828-T1830 HydrophobicContact CG1-CG2 4.22Å; V1828-T1830 PolarHBondContact O-N 3.1Å; V1828-T1830 VanDerWaalsContact O-N 3.1Å | ||
| 1829 | T | 28.1 | Very low | 28.5 | Very low | 124.4 Ų | 124.4 | 129.4 Ų | 129.4 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | trans | -106.6 | 111 | 166.8 | -41.8 | 0 | 0 | 0 | 0 | 113.6 | A1827 L1831 | A1827-T1829 PolarHBondContact O-N 3.09Å; A1827-T1829 VanDerWaalsContact O-N 3.13Å; T1829-L1831 PolarHBondContact O-N 2.86Å | ||
| 1830 | T | 28.2 | Very low | 28.7 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -63.9 | 127.9 | 166.1 | 48.6 | 0 | 0 | 0 | 0 | 113.3 | V1828 | V1828-T1830 HydrophobicContact CG1-CG2 4.22Å; V1828-T1830 PolarHBondContact O-N 3.1Å; V1828-T1830 VanDerWaalsContact O-N 3.1Å | ||
| 1831 | L | 29.6 | Very low | 29 | Very low | 167.2 Ų | 167.2 | 125.1 Ų | 125.1 | 88% | 0.875 | 78% | 0.782 | S | S | * | * | trans | -113.3 | 134.4 | 158.5 | -83.6 | 167.5 | 0 | 0 | 0 | 110.8 | T1829 | T1829-L1831 PolarHBondContact O-N 2.86Š| ||
| 1832 | S | 28.2 | Very low | 29 | Very low | 105.2 Ų | 105.2 | 126.5 Ų | 126.5 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -101.6 | 127.8 | -178 | 59.2 | 0 | 0 | 0 | 0 | 113.6 | G1834 | S1832-G1834 PolarHBondContact O-N 2.9Š| ||
| 1833 | V | 28.7 | Very low | 29.4 | Very low | 147.6 Ų | 147.6 | 128.6 Ų | 128.6 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | trans | -65.3 | 114 | 159.3 | -171.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1834 | G | 30.1 | Very low | 29.7 | Very low | 74.6 Ų | 74.6 | 126.6 Ų | 126.6 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | 170.2 | 114.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1832 | S1832-G1834 PolarHBondContact O-N 2.9Š| ||
| 1835 | S | 28.4 | Very low | 30.5 | Very low | 95.4 Ų | 95.4 | 126.4 Ų | 126.4 | 67% | 0.667 | 77% | 0.774 | S | S | * | * | trans | -59.2 | 158.3 | 172.2 | -48.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1836 | Y | 30.8 | Very low | 31.5 | Very low | 226.8 Ų | 226.8 | 124.9 Ų | 124.9 | 89% | 0.889 | 77% | 0.765 | S | S | * | * | -164.6 | 141.7 | 73.6 | -67.9 | -83.3 | 0 | 0 | 0 | 115.2 | |||||
| 1837 | S | 29 | Very low | 32.3 | Very low | 108.8 Ų | 108.8 | 122.8 Ų | 122.8 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | trans | 4.1 | 125.5 | 158.2 | 177.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1838 | S | 32.5 | Very low | 33.3 | Very low | 100.6 Ų | 100.6 | 120.7 Ų | 120.7 | 70% | 0.703 | 74% | 0.741 | S | S | * | * | 178.6 | 119 | 111.6 | 45.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1839 | N | 30.4 | Very low | 34.7 | Very low | 162.4 Ų | 162.4 | 119.6 Ų | 119.6 | 87% | 0.868 | 73% | 0.73 | S | S | * | * | trans | 32.7 | 111.1 | 146.3 | -71.7 | -13.3 | 0 | 0 | 0 | 116.6 | ||||
| 1840 | V | 32 | Very low | 36.2 | Very low | 130.8 Ų | 130.8 | 117.3 Ų | 117.3 | 79% | 0.793 | 72% | 0.716 | S | S | * | * | trans | -138 | 132.7 | 163.1 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | N1842 | V1840-N1842 PolarHBondContact O-N 3.45Š| ||
| 1841 | P | 34.5 | Very low | 37.8 | Very low | 113.2 Ų | 113.2 | 114.5 Ų | 114.5 | 74% | 0.735 | 70% | 0.704 | S | S | * | * | trans | -85.3 | 137.6 | 165.7 | 10.3 | -1.3 | 0 | 0 | 0 | 112.8 | I1843 | P1841-I1843 PolarHBondContact O-N 3.18Š| ||
| 1842 | N | 29 | Very low | 39.4 | Very low | 152.2 Ų | 152.2 | 112.3 Ų | 112.3 | 81% | 0.814 | 69% | 0.69 | S | S | * | * | trans | -60.6 | 111.5 | 173.3 | -100.9 | -9.3 | 0 | 0 | 0 | 113.7 | V1840 T1844 | V1840-N1842 PolarHBondContact O-N 3.45Å; N1842-T1844 VanDerWaalsContact C-N 3.32Å; N1842-T1844 VanDerWaalsContact CG-OG1 3.31Å; N1842-T1844 PolarHBondContact ND2-OG1 3.46Å; N1842-T1844 PolarHBondContact O-N 3.31Å; N1842-T1844 PolarHBondContact OD1-OG1 3.22Å | ||
| 1843 | I | 34.9 | Very low | 41.2 | Very low | 149.8 Ų | 149.8 | 109.9 Ų | 109.9 | 77% | 0.768 | 67% | 0.671 | S | S | * | * | trans | -99.5 | 110.3 | 157.9 | -57.7 | 178.7 | 0 | 0 | 0 | 110.9 | P1841 S1845 | P1841-I1843 PolarHBondContact O-N 3.18Å; I1843-S1845 PolarHBondContact O-N 3.49Å | ||
| 1844 | T | 35.6 | Very low | 43.2 | Very low | 122.4 Ų | 122.4 | 104.6 Ų | 104.6 | 75% | 0.751 | 64% | 0.642 | S | S | * | * | trans | -96.2 | 97.3 | 177.7 | 3.7 | 0 | 0 | 0 | 0 | 112.3 | N1842 T1846 A1847 | N1842-T1844 VanDerWaalsContact C-N 3.32Å; N1842-T1844 VanDerWaalsContact CG-OG1 3.31Å; N1842-T1844 PolarHBondContact ND2-OG1 3.46Å; N1842-T1844 PolarHBondContact O-N 3.31Å; N1842-T1844 PolarHBondContact OD1-OG1 3.22Å; T1844-T1846 PolarHBondContact O-N 3.1Å; T1844-T1846 VanDerWaalsContact O-N 3.11Å; T1844-A1847 PolarHBondContact O-N 3.22Å; T1844-A1847 VanDerWaalsContact O-N 3.13Å | ||
| 1845 | S | 43.9 | Very low | 45.1 | Very low | 84 Ų | 84 | 103.8 Ų | 103.8 | 59% | 0.587 | 63% | 0.628 | S | S | * | * | trans | -106.4 | 22.7 | 176.6 | 58.3 | 0 | 0 | 0 | 0 | 114.2 | I1843 A1847 G1848 | I1843-S1845 PolarHBondContact O-N 3.49Å; S1845-A1847 PolarHBondContact O-N 3.32Å; S1845-A1847 VanDerWaalsContact O-N 3.07Å; S1845-G1848 PolarHBondContact O-N 3.18Å; S1845-G1848 PolarHBondContact OG-N 2.7Å; S1845-G1848 VanDerWaalsContact OG-N 3.09Å | ||
| 1846 | T | 46.5 | Very low | 47.3 | Very low | 102.8 Ų | 102.8 | 101.5 Ų | 101.5 | 63% | 0.631 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.7 | -32.4 | 179.8 | -18.5 | 0 | 0 | 0 | 0 | 113.1 | T1844 G1848 I1849 V1850 | T1844-T1846 PolarHBondContact O-N 3.1Å; T1844-T1846 VanDerWaalsContact O-N 3.11Å; T1846-G1848 VanDerWaalsContact C-N 3.33Å; T1846-G1848 PolarHBondContact O-N 2.97Å; T1846-I1849 PolarHBondContact O-N 3.14Å; T1846-V1850 PolarHBondContact O-N 3.05Å |
| 1847 | A | 42.6 | Very low | 49.7 | Very low | 68.8 Ų | 68.8 | 91.8 Ų | 91.8 | 57% | 0.569 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.9 | -36.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1844 S1845 I1849 V1850 A1851 | T1844-A1847 PolarHBondContact O-N 3.22Å; T1844-A1847 VanDerWaalsContact O-N 3.13Å; S1845-A1847 PolarHBondContact O-N 3.32Å; S1845-A1847 VanDerWaalsContact O-N 3.07Å; A1847-I1849 PolarHBondContact O-N 3.07Å; A1847-V1850 PolarHBondContact O-N 3.13Å; A1847-A1851 WeakPolarHBondContact O-CB 3.2Å; A1847-A1851 PolarHBondContact O-N 3.2Å; A1847-A1851 VanDerWaalsContact O-N 3.12Å |
| 1848 | G | 49.8 | Very low | 52.1 | Low | 41.8 Ų | 41.8 | 89.2 Ų | 89.2 | 43% | 0.431 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.6 | -38.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1845 T1846 A1851 Q1852 | S1845-G1848 PolarHBondContact O-N 3.18Å; S1845-G1848 PolarHBondContact OG-N 2.7Å; S1845-G1848 VanDerWaalsContact OG-N 3.09Å; T1846-G1848 VanDerWaalsContact C-N 3.33Å; T1846-G1848 PolarHBondContact O-N 2.97Å; G1848-A1851 PolarHBondContact O-N 3.34Å; G1848-Q1852 WeakPolarHBondContact O-CB 3.37Å; G1848-Q1852 PolarHBondContact O-N 3.08Å |
| 1849 | I | 55.4 | Low | 54.5 | Low | 110.6 Ų | 110.6 | 89.1 Ų | 89.1 | 57% | 0.567 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.3 | -41 | 179.7 | -58.9 | 174.6 | 0 | 0 | 0 | 110.6 | T1846 A1847 Q1852 T1853 | T1846-I1849 PolarHBondContact O-N 3.14Å; A1847-I1849 PolarHBondContact O-N 3.07Å; I1849-Q1852 PolarHBondContact O-N 3.09Å; I1849-T1853 WeakPolarHBondContact O-CB 3.3Å; I1849-T1853 PolarHBondContact O-N 3.24Å; I1849-T1853 PolarHBondContact O-OG1 3.17Å; I1849-T1853 VanDerWaalsContact O-OG1 3.12Å |
| 1850 | V | 60.2 | Low | 57.3 | Low | 76.2 Ų | 76.2 | 82.5 Ų | 82.5 | 46% | 0.462 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 176.2 | 179 | 0 | 0 | 0 | 0 | 110.7 | T1846 A1847 Q1852 T1853 A1854 | T1846-V1850 PolarHBondContact O-N 3.05Å; A1847-V1850 PolarHBondContact O-N 3.13Å; V1850-Q1852 PolarHBondContact O-N 3.4Å; V1850-T1853 PolarHBondContact O-N 2.98Å; V1850-A1854 WeakPolarHBondContact O-CB 3.34Å; V1850-A1854 PolarHBondContact O-N 3.13Å |
| 1851 | A | 60.7 | Low | 59.9 | Low | 62.4 Ų | 62.4 | 77.2 Ų | 77.2 | 52% | 0.516 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1847 G1848 T1853 A1854 A1855 | A1847-A1851 WeakPolarHBondContact O-CB 3.2Å; A1847-A1851 PolarHBondContact O-N 3.2Å; A1847-A1851 VanDerWaalsContact O-N 3.12Å; G1848-A1851 PolarHBondContact O-N 3.34Å; A1851-T1853 PolarHBondContact O-N 3.25Å; A1851-A1854 PolarHBondContact O-N 3.28Å; A1851-A1855 WeakPolarHBondContact O-CB 3.41Å; A1851-A1855 PolarHBondContact O-N 3.19Å |
| 1852 | Q | 63.4 | Low | 62.5 | Low | 121.6 Ų | 121.6 | 73.1 Ų | 73.1 | 57% | 0.568 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -65.7 | -41.6 | 177.4 | -172.8 | 173.8 | 10.2 | 0 | 0 | 112.1 | G1848 I1849 V1850 A1854 A1855 Q1856 | G1848-Q1852 WeakPolarHBondContact O-CB 3.37Å; G1848-Q1852 PolarHBondContact O-N 3.08Å; I1849-Q1852 PolarHBondContact O-N 3.09Å; V1850-Q1852 PolarHBondContact O-N 3.4Å; Q1852-A1854 PolarHBondContact O-N 3.28Å; Q1852-A1855 PolarHBondContact O-N 3Å; Q1852-Q1856 WeakPolarHBondContact O-CG 3.31Å; Q1852-Q1856 PolarHBondContact O-N 3.16Å; Q1852-Q1856 VanDerWaalsContact O-N 3.11Å |
| 1853 | T | 67.9 | Low | 65.5 | Low | 55.4 Ų | 55.4 | 66.5 Ų | 66.5 | 34% | 0.34 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 175.8 | -54.1 | 0 | 0 | 0 | 0 | 110.9 | I1849 V1850 A1851 A1855 Q1856 T1857 | I1849-T1853 WeakPolarHBondContact O-CB 3.3Å; I1849-T1853 PolarHBondContact O-N 3.24Å; I1849-T1853 PolarHBondContact O-OG1 3.17Å; I1849-T1853 VanDerWaalsContact O-OG1 3.12Å; V1850-T1853 PolarHBondContact O-N 2.98Å; A1851-T1853 PolarHBondContact O-N 3.25Å; T1853-A1855 VanDerWaalsContact C-N 3.3Å; T1853-A1855 PolarHBondContact O-N 3.15Å; T1853-Q1856 PolarHBondContact O-N 3.09Å; T1853-Q1856 VanDerWaalsContact O-N 3.14Å; T1853-T1857 WeakPolarHBondContact O-CB 3.36Å; T1853-T1857 PolarHBondContact O-N 3.14Å; T1853-T1857 PolarHBondContact O-OG1 3.26Å; T1853-T1857 VanDerWaalsContact O-OG1 3.1Å |
| 1854 | A | 69.2 | Low | 68.2 | Low | 35.4 Ų | 35.4 | 60 Ų | 60 | 29% | 0.293 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.1 | -35.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1498 V1850 A1851 Q1852 T1857 R1858 | L1498-A1854 HydrophobicContact CD2-CB 3.97Å; V1850-A1854 WeakPolarHBondContact O-CB 3.34Å; V1850-A1854 PolarHBondContact O-N 3.13Å; A1851-A1854 PolarHBondContact O-N 3.28Å; Q1852-A1854 PolarHBondContact O-N 3.28Å; A1854-T1857 WeakPolarHBondContact O-CB 3.47Å; A1854-T1857 PolarHBondContact O-N 2.94Å; A1854-R1858 WeakPolarHBondContact O-CG 3.49Å; A1854-R1858 PolarHBondContact O-N 3.13Å; A1854-R1858 VanDerWaalsContact O-N 3.08Å |
| 1855 | A | 71.4 | Confident | 70.9 | Confident | 58.2 Ų | 58.2 | 54.4 Ų | 54.4 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.6 | -45.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | A1851 Q1852 T1853 T1857 R1858 E1859 | A1851-A1855 WeakPolarHBondContact O-CB 3.41Å; A1851-A1855 PolarHBondContact O-N 3.19Å; Q1852-A1855 PolarHBondContact O-N 3Å; T1853-A1855 VanDerWaalsContact C-N 3.3Å; T1853-A1855 PolarHBondContact O-N 3.15Å; A1855-T1857 VanDerWaalsContact C-N 3.3Å; A1855-T1857 PolarHBondContact O-N 3.15Å; A1855-R1858 PolarHBondContact O-N 2.97Å; A1855-R1858 VanDerWaalsContact O-N 3.11Å; A1855-E1859 PolarHBondContact O-N 3.22Å |
| 1856 | Q | 74.1 | Confident | 73.2 | Confident | 47.8 Ų | 47.8 | 54.2 Ų | 54.2 | 22% | 0.223 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.8 | -32 | 176.1 | -71.5 | -177 | -32.7 | 0 | 0 | 112.9 | L1451 Q1852 T1853 E1859 L1860 | L1451-Q1856 HydrophobicContact CD1-CB 4.03Å; Q1852-Q1856 WeakPolarHBondContact O-CG 3.31Å; Q1852-Q1856 PolarHBondContact O-N 3.16Å; Q1852-Q1856 VanDerWaalsContact O-N 3.11Å; T1853-Q1856 PolarHBondContact O-N 3.09Å; T1853-Q1856 VanDerWaalsContact O-N 3.14Å; Q1856-E1859 PolarHBondContact O-N 3.31Å; Q1856-L1860 WeakPolarHBondContact O-CB 3.28Å; Q1856-L1860 PolarHBondContact O-N 3.15Å |
| 1857 | T | 80.5 | Confident | 75.5 | Confident | 22.8 Ų | 22.8 | 49.8 Ų | 49.8 | 14% | 0.14 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.3 | -48.7 | 171.7 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | S1494 L1498 T1853 A1854 A1855 E1859 L1860 D1861 | S1494-T1857 VanDerWaalsContact CB-CG2 3.42Å; S1494-T1857 WeakPolarHBondContact OG-CG2 3.38Å; L1498-T1857 HydrophobicContact CD1-CG2 4.19Å; L1498-T1857 HydrophobicContact CD2-CG2 4.49Å; L1498-T1857 HydrophobicContact CG-CG2 4.14Å; T1853-T1857 WeakPolarHBondContact O-CB 3.36Å; T1853-T1857 PolarHBondContact O-N 3.14Å; T1853-T1857 PolarHBondContact O-OG1 3.26Å; T1853-T1857 VanDerWaalsContact O-OG1 3.1Å; A1854-T1857 WeakPolarHBondContact O-CB 3.47Å; A1854-T1857 PolarHBondContact O-N 2.94Å; A1855-T1857 VanDerWaalsContact C-N 3.3Å; A1855-T1857 PolarHBondContact O-N 3.15Å; T1857-E1859 VanDerWaalsContact C-N 3.31Å; T1857-E1859 PolarHBondContact O-N 3.19Å; T1857-L1860 CarbonylContact O-C 3.58Å; T1857-L1860 WeakPolarHBondContact O-CA 3.44Å; T1857-L1860 WeakPolarHBondContact O-CB 3.39Å; T1857-L1860 PolarHBondContact O-N 2.99Å; T1857-L1860 VanDerWaalsContact O-N 3.1Å; T1857-D1861 PolarHBondContact O-N 3.17Å; T1857-D1861 VanDerWaalsContact O-OD2 3.1Å |
| 1858 | R | 79.1 | Confident | 77.9 | Confident | 53.6 Ų | 53.6 | 47 Ų | 47 | 20% | 0.202 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.2 | -31.7 | 177.1 | -70.8 | -105 | -170.7 | -176.4 | -0.1 | 113.4 | A1854 A1855 L1862 D1908 D1912 I1919 H1923 | A1854-R1858 WeakPolarHBondContact O-CG 3.49Å; A1854-R1858 PolarHBondContact O-N 3.13Å; A1854-R1858 VanDerWaalsContact O-N 3.08Å; A1855-R1858 PolarHBondContact O-N 2.97Å; A1855-R1858 VanDerWaalsContact O-N 3.11Å; R1858-L1862 PolarHBondContact O-N 3.28Å; R1858-L1862 VanDerWaalsContact O-N 3.13Å; R1858-D1908 PolarHBondContact NH2-O 3.13Å; R1858-D1912 IonicContact CZ-OD2 3.36Å; R1858-D1912 IonicContact NE-OD2 3.74Å; R1858-D1912 IonicContact NH2-OD2 2.74Å; R1858-D1912 PolarHBondContact NH2-OD2 3.22Å; R1858-I1919 VanDerWaalsContact NH1-CG2 3.3Å; R1858-H1923 VanDerWaalsContact CZ-NE2 3.27Å; R1858-H1923 PolarHBondContact NE-NE2 3.16Å; R1858-H1923 PolarHBondContact NH2-CE1 3.09Å; R1858-H1923 PolarHBondContact NH2-NE2 3.18Å |
| 1859 | E | 84.1 | Confident | 79.9 | Confident | 98.8 Ų | 98.8 | 45.4 Ų | 45.4 | 46% | 0.462 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67 | -41 | 171.4 | -155.8 | -174.3 | 167.9 | 0 | 0 | 111.6 | I1455 A1855 Q1856 T1857 L1862 A1863 | I1455-E1859 HydrophobicContact CD1-CB 4.15Å; I1455-E1859 HydrophobicContact CD1-CG 3.92Å; A1855-E1859 PolarHBondContact O-N 3.22Å; Q1856-E1859 PolarHBondContact O-N 3.31Å; T1857-E1859 VanDerWaalsContact C-N 3.31Å; T1857-E1859 PolarHBondContact O-N 3.19Å; E1859-L1862 PolarHBondContact O-N 2.9Å; E1859-A1863 WeakPolarHBondContact O-CB 3.39Å; E1859-A1863 PolarHBondContact O-N 3.13Å |
| 1860 | L | 87.8 | Confident | 81.6 | Confident | 23.8 Ų | 23.8 | 42.1 Ų | 42.1 | 13% | 0.125 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.6 | -45.3 | 173.3 | 176.6 | 61.8 | 0 | 0 | 0 | 111.8 | L1451 K1454 I1455 W1490 Q1856 T1857 L1862 A1863 C1864 | L1451-L1860 HydrophobicContact CD2-CD2 3.75Å; K1454-L1860 HydrophobicContact CB-CD1 3.58Å; K1454-L1860 HydrophobicContact CB-CD2 4.31Å; K1454-L1860 HydrophobicContact CD-CD2 4.22Å; I1455-L1860 HydrophobicContact CD1-CB 4.34Å; I1455-L1860 HydrophobicContact CG1-CB 4.01Å; I1455-L1860 HydrophobicContact CG1-CD1 4.02Å; W1490-L1860 HydrophobicContact CE3-CD1 4.37Å; Q1856-L1860 WeakPolarHBondContact O-CB 3.28Å; Q1856-L1860 PolarHBondContact O-N 3.15Å; T1857-L1860 CarbonylContact O-C 3.58Å; T1857-L1860 WeakPolarHBondContact O-CA 3.44Å; T1857-L1860 WeakPolarHBondContact O-CB 3.39Å; T1857-L1860 PolarHBondContact O-N 2.99Å; T1857-L1860 VanDerWaalsContact O-N 3.1Å; L1860-L1862 VanDerWaalsContact C-N 3.32Å; L1860-L1862 PolarHBondContact O-N 3.23Å; L1860-A1863 PolarHBondContact O-N 3.12Å; L1860-C1864 VanDerWaalsContact CD1-SG 3.54Å; L1860-C1864 WeakPolarHBondContact CD1-SG 3.43Å; L1860-C1864 VanDerWaalsContact O-CB 3.27Å; L1860-C1864 WeakPolarHBondContact O-CB 3.37Å; L1860-C1864 PolarHBondContact O-N 3.21Å; L1860-C1864 PolarHBondContact O-SG 3.18Å |
| 1861 | D | 88.2 | Confident | 83.1 | Confident | 19.8 Ų | 19.8 | 39.7 Ų | 39.7 | 11% | 0.106 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.6 | -44.2 | 178.9 | -59.6 | -30.9 | 0 | 0 | 0 | 111 | S1494 T1857 M1865 L1926 | S1494-D1861 VanDerWaalsContact CB-OD1 3.26Å; S1494-D1861 WeakPolarHBondContact CB-OD1 3.4Å; S1494-D1861 PolarHBondContact OG-OD1 3.08Å; T1857-D1861 PolarHBondContact O-N 3.17Å; T1857-D1861 VanDerWaalsContact O-OD2 3.1Å; D1861-M1865 WeakPolarHBondContact O-CB 3.4Å; D1861-M1865 WeakPolarHBondContact O-CG 3.34Å; D1861-M1865 PolarHBondContact O-N 3.16Å; D1861-L1926 HydrophobicContact CB-CD1 4.45Å; D1861-L1926 HydrophobicContact CB-CD2 4.35Å |
| 1862 | L | 89.3 | Confident | 84.5 | Confident | 26.4 Ų | 26.4 | 36.9 Ų | 36.9 | 14% | 0.138 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.4 | -52.3 | 175 | 178.4 | 60.6 | 0 | 0 | 0 | 112 | R1858 E1859 L1860 C1864 M1865 E1866 A1925 L1926 V1929 | R1858-L1862 PolarHBondContact O-N 3.28Å; R1858-L1862 VanDerWaalsContact O-N 3.13Å; E1859-L1862 PolarHBondContact O-N 2.9Å; L1860-L1862 VanDerWaalsContact C-N 3.32Å; L1860-L1862 PolarHBondContact O-N 3.23Å; L1862-C1864 VanDerWaalsContact C-N 3.32Å; L1862-C1864 PolarHBondContact O-N 3.26Å; L1862-M1865 PolarHBondContact O-N 3.1Å; L1862-M1865 VanDerWaalsContact O-N 3.16Å; L1862-E1866 HydrophobicContact CD1-CG 4.38Å; L1862-E1866 WeakPolarHBondContact O-CG 3.27Å; L1862-E1866 PolarHBondContact O-N 3.18Å; L1862-A1925 HydrophobicContact CD1-CB 4.06Å; L1862-A1925 HydrophobicContact CD2-CB 4.33Å; L1862-L1926 HydrophobicContact CB-CD1 4.49Å; L1862-L1926 HydrophobicContact CD1-CB 4.3Å; L1862-V1929 HydrophobicContact CD1-CG2 4.27Å |
| 1863 | A | 90.5 | Very high | 85.6 | Confident | 14.8 Ų | 14.8 | 34.8 Ų | 34.8 | 12% | 0.122 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.2 | -38.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1455 C1458 Q1462 E1859 L1860 E1866 A1867 | I1455-A1863 HydrophobicContact CG1-CB 4.5Å; I1455-A1863 HydrophobicContact CG2-CB 4.3Å; C1458-A1863 HydrophobicContact CB-CB 3.92Å; C1458-A1863 WeakPolarHBondContact CB-O 3.38Å; Q1462-A1863 PolarHBondContact NE2-O 3.07Å; E1859-A1863 WeakPolarHBondContact O-CB 3.39Å; E1859-A1863 PolarHBondContact O-N 3.13Å; L1860-A1863 PolarHBondContact O-N 3.12Å; A1863-E1866 PolarHBondContact O-N 2.86Å; A1863-A1867 WeakPolarHBondContact O-CB 3.34Å; A1863-A1867 PolarHBondContact O-N 3.11Å; A1863-A1867 VanDerWaalsContact O-N 3.1Å |
| 1864 | C | 92.8 | Very high | 86.1 | Confident | 13 Ų | 13 | 34.4 Ų | 34.4 | 9% | 0.088 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.7 | -48.5 | 173.2 | -88.4 | 0 | 0 | 0 | 0 | 111.3 | C1458 L1487 I1491 L1860 L1862 E1866 A1867 V1868 | C1458-C1864 PolarHBondContact SG-SG 3Å; L1487-C1864 PolarHBondContact O-SG 2.79Å; I1491-C1864 HydrophobicContact CD1-CB 4.08Å; I1491-C1864 HydrophobicContact CG1-CB 3.88Å; L1860-C1864 VanDerWaalsContact CD1-SG 3.54Å; L1860-C1864 WeakPolarHBondContact CD1-SG 3.43Å; L1860-C1864 VanDerWaalsContact O-CB 3.27Å; L1860-C1864 WeakPolarHBondContact O-CB 3.37Å; L1860-C1864 PolarHBondContact O-N 3.21Å; L1860-C1864 PolarHBondContact O-SG 3.18Å; L1862-C1864 VanDerWaalsContact C-N 3.32Å; L1862-C1864 PolarHBondContact O-N 3.26Å; C1864-E1866 VanDerWaalsContact C-N 3.33Å; C1864-E1866 PolarHBondContact O-N 3.04Å; C1864-A1867 WeakPolarHBondContact O-CB 3.03Å; C1864-A1867 PolarHBondContact O-N 3.2Å; C1864-A1867 VanDerWaalsContact O-N 3.1Å; C1864-V1868 WeakPolarHBondContact O-CB 3.39Å; C1864-V1868 VanDerWaalsContact O-CG2 3.31Å; C1864-V1868 WeakPolarHBondContact O-CG2 3.39Å; C1864-V1868 PolarHBondContact O-N 3.12Å |
| 1865 | M | 91.7 | Very high | 86.8 | Confident | 3.4 Ų | 3.4 | 33.3 Ų | 33.3 | 2% | 0.017 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.3 | -33.3 | 179.7 | -75.6 | -54.2 | -59.1 | 0 | 0 | 113 | I1491 D1861 L1862 V1868 A1869 F1902 L1905 L1926 V1929 T1930 A1933 | I1491-M1865 HydrophobicContact CD1-CG 4.08Å; I1491-M1865 HydrophobicContact CD1-SD 3.44Å; I1491-M1865 WeakPolarHBondContact CD1-SD 3.38Å; D1861-M1865 WeakPolarHBondContact O-CB 3.4Å; D1861-M1865 WeakPolarHBondContact O-CG 3.34Å; D1861-M1865 PolarHBondContact O-N 3.16Å; L1862-M1865 PolarHBondContact O-N 3.1Å; L1862-M1865 VanDerWaalsContact O-N 3.16Å; M1865-V1868 PolarHBondContact O-N 2.92Å; M1865-A1869 VanDerWaalsContact O-CB 3.24Å; M1865-A1869 WeakPolarHBondContact O-CB 3.41Å; M1865-A1869 PolarHBondContact O-N 3.17Å; M1865-F1902 HydrophobicContact CE-CD1 3.67Å; M1865-F1902 HydrophobicContact CE-CE1 3.67Å; M1865-F1902 HydrophobicContact CE-CG 4.33Å; M1865-F1902 HydrophobicContact CE-CZ 4.35Å; M1865-F1902 HydrophobicContact SD-CD1 4.04Å; M1865-F1902 HydrophobicContact SD-CE1 3.85Å; M1865-L1905 HydrophobicContact CE-CD2 4.32Å; M1865-L1905 HydrophobicContact CG-CD2 3.65Å; M1865-L1905 HydrophobicContact SD-CD2 3.85Å; M1865-L1926 HydrophobicContact CB-CD1 4.1Å; M1865-L1926 HydrophobicContact CG-CD1 3.92Å; M1865-V1929 HydrophobicContact CB-CG1 3.86Å; M1865-V1929 VanDerWaalsContact O-CG1 3.29Å; M1865-V1929 WeakPolarHBondContact O-CG1 3.33Å; M1865-T1930 HydrophobicContact CE-CG2 4Å; M1865-A1933 HydrophobicContact CE-CB 3.6Å |
| 1866 | E | 92.8 | Very high | 87.3 | Confident | 80.6 Ų | 80.6 | 33 Ų | 33 | 38% | 0.377 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.7 | -42.8 | 171.8 | -73.8 | -179.8 | 157.6 | 0 | 0 | 111.7 | Q1462 L1862 A1863 C1864 A1869 A1870 V1929 | Q1462-E1866 HydrophobicContact CG-CB 4.36Å; Q1462-E1866 PolarHBondContact NE2-OE2 3.1Å; L1862-E1866 HydrophobicContact CD1-CG 4.38Å; L1862-E1866 WeakPolarHBondContact O-CG 3.27Å; L1862-E1866 PolarHBondContact O-N 3.18Å; A1863-E1866 PolarHBondContact O-N 2.86Å; C1864-E1866 VanDerWaalsContact C-N 3.33Å; C1864-E1866 PolarHBondContact O-N 3.04Å; E1866-A1869 PolarHBondContact O-N 3.17Å; E1866-A1870 PolarHBondContact O-N 3.18Å; E1866-A1870 VanDerWaalsContact O-N 3.11Å; E1866-V1929 HydrophobicContact CB-CG1 4.34Å; E1866-V1929 HydrophobicContact CG-CB 4.45Å; E1866-V1929 HydrophobicContact CG-CG1 3.9Å; E1866-V1929 HydrophobicContact CG-CG2 3.97Å |
| 1867 | A | 93.9 | Very high | 87.9 | Confident | 10.4 Ų | 10.4 | 30.8 Ų | 30.8 | 9% | 0.086 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66 | -41.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C1458 V1461 Q1462 L1487 A1863 C1864 A1870 L1871 | C1458-A1867 HydrophobicContact CB-CB 4.12Å; V1461-A1867 HydrophobicContact CB-CB 4.1Å; V1461-A1867 HydrophobicContact CG1-CB 3.97Å; Q1462-A1867 HydrophobicContact CG-CB 4.14Å; L1487-A1867 HydrophobicContact CD1-CB 3.92Å; A1863-A1867 WeakPolarHBondContact O-CB 3.34Å; A1863-A1867 PolarHBondContact O-N 3.11Å; A1863-A1867 VanDerWaalsContact O-N 3.1Å; C1864-A1867 WeakPolarHBondContact O-CB 3.03Å; C1864-A1867 PolarHBondContact O-N 3.2Å; C1864-A1867 VanDerWaalsContact O-N 3.1Å; A1867-A1870 PolarHBondContact O-N 3.11Å; A1867-L1871 WeakPolarHBondContact O-CB 3.4Å; A1867-L1871 VanDerWaalsContact O-CG 3.29Å; A1867-L1871 WeakPolarHBondContact O-CG 3.32Å; A1867-L1871 PolarHBondContact O-N 2.89Å |
| 1868 | V | 94.2 | Very high | 87.8 | Confident | 9.8 Ų | 9.8 | 33 Ų | 33 | 6% | 0.059 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.2 | -42.6 | 175.8 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | V1484 L1487 C1864 M1865 A1870 L1871 L1872 F1902 | V1484-V1868 HydrophobicContact CG1-CG1 4.4Å; L1487-V1868 HydrophobicContact CB-CG2 3.76Å; L1487-V1868 HydrophobicContact CD1-CG2 4.1Å; C1864-V1868 WeakPolarHBondContact O-CB 3.39Å; C1864-V1868 VanDerWaalsContact O-CG2 3.31Å; C1864-V1868 WeakPolarHBondContact O-CG2 3.39Å; C1864-V1868 PolarHBondContact O-N 3.12Å; M1865-V1868 PolarHBondContact O-N 2.92Å; V1868-A1870 VanDerWaalsContact C-N 3.31Å; V1868-A1870 PolarHBondContact O-N 3.2Å; V1868-L1871 PolarHBondContact O-N 3.15Å; V1868-L1871 VanDerWaalsContact O-N 3.17Å; V1868-L1872 HydrophobicContact CG1-CD1 3.62Å; V1868-L1872 HydrophobicContact CG1-CG 4.14Å; V1868-L1872 WeakPolarHBondContact O-CB 3.3Å; V1868-L1872 VanDerWaalsContact O-CG 3.25Å; V1868-L1872 WeakPolarHBondContact O-CG 3.32Å; V1868-L1872 PolarHBondContact O-N 2.98Å; V1868-F1902 HydrophobicContact CG1-CE1 4.12Å; V1868-F1902 HydrophobicContact CG1-CZ 3.73Å |
| 1869 | A | 90.8 | Very high | 87.8 | Confident | 9.4 Ų | 9.4 | 31.8 Ų | 31.8 | 8% | 0.078 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.1 | -41.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1865 E1866 H1873 V1929 A1933 N1936 | M1865-A1869 VanDerWaalsContact O-CB 3.24Å; M1865-A1869 WeakPolarHBondContact O-CB 3.41Å; M1865-A1869 PolarHBondContact O-N 3.17Å; E1866-A1869 PolarHBondContact O-N 3.17Å; A1869-H1873 PolarHBondContact O-N 2.89Å; A1869-V1929 HydrophobicContact CB-CG1 4.17Å; A1869-A1933 HydrophobicContact CB-CB 4.05Å; A1869-N1936 PolarHBondContact O-ND2 3.03Å |
| 1870 | A | 91 | Very high | 87.2 | Confident | 40.6 Ų | 40.6 | 34 Ų | 34 | 34% | 0.336 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.1 | -43.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1465 E1866 A1867 V1868 L1872 H1873 | M1465-A1870 HydrophobicContact CB-CB 4.04Å; M1465-A1870 HydrophobicContact CG-CB 4.47Å; E1866-A1870 PolarHBondContact O-N 3.18Å; E1866-A1870 VanDerWaalsContact O-N 3.11Å; A1867-A1870 PolarHBondContact O-N 3.11Å; V1868-A1870 VanDerWaalsContact C-N 3.31Å; V1868-A1870 PolarHBondContact O-N 3.2Å; A1870-L1872 VanDerWaalsContact C-N 3.34Å; A1870-L1872 PolarHBondContact O-N 2.93Å; A1870-H1873 WeakPolarHBondContact O-CB 3.45Å; A1870-H1873 PolarHBondContact O-N 2.93Å |
| 1871 | L | 92 | Very high | 85.9 | Confident | 25.8 Ų | 25.8 | 40.4 Ų | 40.4 | 14% | 0.135 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.6 | -34.8 | 177.5 | -76 | 167.4 | 0 | 0 | 0 | 113.3 | V1461 M1465 R1480 L1483 V1484 L1487 A1867 V1868 H1873 | V1461-L1871 HydrophobicContact CG1-CD1 3.81Å; V1461-L1871 HydrophobicContact CG1-CD2 4.15Å; V1461-L1871 HydrophobicContact CG1-CG 3.84Å; M1465-L1871 HydrophobicContact CE-CD2 4.5Å; M1465-L1871 HydrophobicContact CG-CD2 3.94Å; M1465-L1871 HydrophobicContact CG-CG 4.3Å; M1465-L1871 HydrophobicContact SD-CD2 3.83Å; R1480-L1871 HydrophobicContact CB-CD2 4.23Å; R1480-L1871 HydrophobicContact CG-CD2 3.95Å; R1480-L1871 VanDerWaalsContact CZ-O 3.28Å; R1480-L1871 PolarHBondContact NE-O 3.1Å; R1480-L1871 PolarHBondContact NH2-O 3.05Å; L1483-L1871 HydrophobicContact CB-CD1 3.85Å; L1483-L1871 HydrophobicContact CB-CD2 4.17Å; L1483-L1871 HydrophobicContact CD1-CD2 4.05Å; V1484-L1871 HydrophobicContact CG2-CB 3.65Å; V1484-L1871 HydrophobicContact CG2-CD1 3.92Å; V1484-L1871 HydrophobicContact CG2-CG 4.38Å; L1487-L1871 HydrophobicContact CD1-CD1 3.68Å; A1867-L1871 WeakPolarHBondContact O-CB 3.4Å; A1867-L1871 VanDerWaalsContact O-CG 3.29Å; A1867-L1871 WeakPolarHBondContact O-CG 3.32Å; A1867-L1871 PolarHBondContact O-N 2.89Å; V1868-L1871 PolarHBondContact O-N 3.15Å; V1868-L1871 VanDerWaalsContact O-N 3.17Å; L1871-H1873 VanDerWaalsContact C-N 3.3Å; L1871-H1873 PolarHBondContact O-N 3.32Å |
| 1872 | L | 90.1 | Very high | 84.6 | Confident | 2.8 Ų | 2.8 | 44.7 Ų | 44.7 | 2% | 0.015 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -76.8 | -15.6 | -178.3 | -72.7 | 172.6 | 0 | 0 | 0 | 114.1 | V1484 V1868 A1870 G1874 M1875 F1902 A1933 N1936 L1937 | V1484-L1872 HydrophobicContact CG1-CD2 4.38Å; V1484-L1872 HydrophobicContact CG2-CD2 4.21Å; V1484-L1872 HydrophobicContact CG2-CG 4.46Å; V1868-L1872 HydrophobicContact CG1-CD1 3.62Å; V1868-L1872 HydrophobicContact CG1-CG 4.14Å; V1868-L1872 WeakPolarHBondContact O-CB 3.3Å; V1868-L1872 VanDerWaalsContact O-CG 3.25Å; V1868-L1872 WeakPolarHBondContact O-CG 3.32Å; V1868-L1872 PolarHBondContact O-N 2.98Å; A1870-L1872 VanDerWaalsContact C-N 3.34Å; A1870-L1872 PolarHBondContact O-N 2.93Å; L1872-G1874 PolarHBondContact O-N 3.21Å; L1872-M1875 HydrophobicContact CD2-CE 3.77Å; L1872-M1875 HydrophobicContact CD2-SD 4.47Å; L1872-M1875 WeakPolarHBondContact O-CB 3.15Å; L1872-M1875 PolarHBondContact O-N 3.23Å; L1872-F1902 HydrophobicContact CD1-CE2 3.88Å; L1872-F1902 HydrophobicContact CD1-CZ 3.94Å; L1872-A1933 HydrophobicContact CD1-CB 4.12Å; L1872-N1936 HydrophobicContact CB-CB 3.91Å; L1872-L1937 HydrophobicContact CD1-CB 4.31Å; L1872-L1937 HydrophobicContact CD1-CD1 4.48Å; L1872-L1937 HydrophobicContact CD2-CB 4.17Å; L1872-L1937 HydrophobicContact CD2-CD1 3.77Å |
| 1873 | H | 85.2 | Confident | 83 | Confident | 78.8 Ų | 78.8 | 50.4 Ų | 50.4 | 37% | 0.365 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 102 | -172.4 | -174.2 | 69.3 | 0 | 0 | 0 | 112.5 | R1468 R1480 A1869 A1870 L1871 N1936 H2460 | R1468-H1873 PolarHBondContact NH1-O 3.09Å; R1480-H1873 PolarHBondContact NH2-O 2.98Å; A1869-H1873 PolarHBondContact O-N 2.89Å; A1870-H1873 WeakPolarHBondContact O-CB 3.45Å; A1870-H1873 PolarHBondContact O-N 2.93Å; L1871-H1873 VanDerWaalsContact C-N 3.3Å; L1871-H1873 PolarHBondContact O-N 3.32Å; H1873-N1936 HydrophobicContact CB-CB 4.47Å; H1873-N1936 PolarHBondContact ND1-OD1 3.2Å; H1873-H2460 AromaticContact CD2-CD2 3.59Å; H1873-H2460 AromaticContact CD2-CG 3.72Å; H1873-H2460 AromaticContact CE1-CD2 3.84Å; H1873-H2460 AromaticContact NE2-CD2 3.27Å; H1873-H2460 PolarHBondContact NE2-CD2 3.07Å; H1873-H2460 AromaticContact NE2-CG 3.83Å; H1873-H2460 AromaticContact NE2-NE2 3.55Å |
| 1874 | G | 78.6 | Confident | 81.2 | Confident | 47 Ų | 47 | 59.3 Ų | 59.3 | 49% | 0.485 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 26.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | M1477 L1872 P1876 | M1477-G1874 WeakPolarHBondContact CE-O 3.46Å; L1872-G1874 PolarHBondContact O-N 3.21Å; G1874-P1876 VanDerWaalsContact O-CD 3.28Å; G1874-P1876 WeakPolarHBondContact O-CD 3.34Å |
| 1875 | M | 84.1 | Confident | 79.5 | Confident | 12.6 Ų | 12.6 | 62.5 Ų | 62.5 | 6% | 0.062 | 34% | 0.336 | C | S | . | . | trans | -98.2 | 107.7 | -179 | -165.3 | -171.3 | 81.7 | 0 | 0 | 112.5 | M1477 R1480 N1481 V1484 L1872 L1877 A1940 N1941 | M1477-M1875 HydrophobicContact SD-CG 4.25Å; R1480-M1875 VanDerWaalsContact C-SD 3.57Å; R1480-M1875 HydrophobicContact CB-CG 4.23Å; R1480-M1875 HydrophobicContact CB-SD 3.55Å; R1480-M1875 VanDerWaalsContact CB-SD 3.52Å; N1481-M1875 HydrophobicContact CB-CE 4.42Å; N1481-M1875 PolarHBondContact N-SD 3.3Å; V1484-M1875 HydrophobicContact CG2-CE 4.2Å; V1484-M1875 HydrophobicContact CG2-SD 4.21Å; L1872-M1875 HydrophobicContact CD2-CE 3.77Å; L1872-M1875 HydrophobicContact CD2-SD 4.47Å; L1872-M1875 WeakPolarHBondContact O-CB 3.15Å; L1872-M1875 PolarHBondContact O-N 3.23Å; M1875-L1877 HydrophobicContact CE-CD2 3.99Å; M1875-A1940 VanDerWaalsContact O-CB 3.3Å; M1875-A1940 WeakPolarHBondContact O-CB 3.41Å; M1875-N1941 PolarHBondContact O-ND2 3.32Å; M1875-N1941 VanDerWaalsContact O-ND2 3.11Å | ||
| 1876 | P | 82.8 | Confident | 78.6 | Confident | 50 Ų | 50 | 67 Ų | 67 | 33% | 0.325 | 36% | 0.36 | S | S | . | . | trans | -65.8 | 138.4 | 165.6 | 18.9 | -22 | 0 | 0 | 0 | 110.6 | M1477 N1481 G1874 N1941 R2529 | M1477-P1876 HydrophobicContact CE-CG 4.27Å; M1477-P1876 HydrophobicContact CG-CG 4.27Å; M1477-P1876 HydrophobicContact SD-CG 4.18Å; N1481-P1876 PolarHBondContact ND2-O 3.11Å; G1874-P1876 VanDerWaalsContact O-CD 3.28Å; G1874-P1876 WeakPolarHBondContact O-CD 3.34Å; P1876-N1941 WeakPolarHBondContact CA-OD1 3.36Å; P1876-R2529 PolarHBondContact O-NH2 2.83Å | ||
| 1877 | L | 85.7 | Confident | 77.7 | Confident | 3.6 Ų | 3.6 | 66.9 Ų | 66.9 | 2% | 0.019 | 36% | 0.361 | C | S | . | . | trans | -71.5 | 136.9 | 175.3 | -69.6 | 176.9 | 0 | 0 | 0 | 110.9 | N1481 M1875 K1891 L1894 F1895 Y1898 L1937 N1941 | N1481-L1877 WeakPolarHBondContact OD1-CA 3.32Å; M1875-L1877 HydrophobicContact CE-CD2 3.99Å; L1877-K1891 HydrophobicContact CB-CG 4.17Å; L1877-K1891 VanDerWaalsContact O-CE 3.24Å; L1877-K1891 WeakPolarHBondContact O-CE 3.38Å; L1877-L1894 HydrophobicContact CB-CD2 4.26Å; L1877-L1894 HydrophobicContact CD1-CB 4.47Å; L1877-L1894 HydrophobicContact CD1-CG 4.39Å; L1877-L1894 HydrophobicContact CD2-CD2 4.23Å; L1877-L1894 HydrophobicContact CD2-CG 4.29Å; L1877-F1895 HydrophobicContact CD1-CB 3.74Å; L1877-F1895 HydrophobicContact CD1-CD2 4.19Å; L1877-F1895 HydrophobicContact CD1-CG 4.41Å; L1877-Y1898 HydrophobicContact CD1-CD2 4.48Å; L1877-Y1898 HydrophobicContact CD2-CD2 3.98Å; L1877-Y1898 HydrophobicContact CD2-CE2 3.76Å; L1877-L1937 HydrophobicContact CD1-CD1 4.25Å; L1877-L1937 HydrophobicContact CD2-CD1 4.15Å; L1877-L1937 HydrophobicContact CG-CD1 4.37Å; L1877-N1941 WeakPolarHBondContact CB-OD1 3.29Å; L1877-N1941 WeakPolarHBondContact CG-OD1 3.37Å; L1877-N1941 PolarHBondContact N-OD1 3.18Å | ||
| 1878 | Q | 79.6 | Confident | 76.8 | Confident | 67.8 Ų | 67.8 | 69.8 Ų | 69.8 | 32% | 0.317 | 37% | 0.374 | S | S | . | . | trans | -132.4 | 113.7 | 175.1 | -66.7 | -170.7 | -18.5 | 0 | 0 | 109.1 | R1478 N1481 L1894 R2529 | R1478-Q1878 VanDerWaalsContact CG-OE1 3.24Å; N1481-Q1878 PolarHBondContact OD1-N 3.28Å; Q1878-L1894 WeakPolarHBondContact O-CD2 3.41Å; Q1878-R2529 VanDerWaalsContact CD-NH1 3.31Å | ||
| 1879 | P | 78.5 | Confident | 76.2 | Confident | 27.6 Ų | 27.6 | 72.9 Ų | 72.9 | 18% | 0.179 | 39% | 0.39 | C | S | . | . | trans | -65.7 | 149.7 | 171.3 | 29.4 | -34.7 | 0 | 0 | 0 | 110.7 | E1881 L1887 A1890 | P1879-E1881 VanDerWaalsContact C-N 3.33Å; P1879-L1887 HydrophobicContact CG-CD1 3.85Å; P1879-A1890 HydrophobicContact CB-CB 4.04Å; P1879-A1890 HydrophobicContact CG-CB 3.85Å | ||
| 1880 | E | 71 | Confident | 75.8 | Confident | 146 Ų | 146 | 73.8 Ų | 73.8 | 68% | 0.682 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -76.2 | -27.4 | 177.3 | -76.3 | -161.4 | 122 | 0 | 0 | 112.4 | K1482 | K1482-E1880 IonicContact NZ-OE1 3.21Å; K1482-E1880 PolarHBondContact NZ-OE1 3.24Å; K1482-E1880 IonicContact NZ-OE2 2.96Å; K1482-E1880 PolarHBondContact NZ-OE2 3.27Å |
| 1881 | E | 61.8 | Low | 75.4 | Confident | 157.6 Ų | 157.6 | 73.9 Ų | 73.9 | 74% | 0.736 | 39% | 0.391 | S | S | * | . | trans | -94.5 | 125.6 | 177.7 | -65.6 | 176 | 178.9 | 0 | 0 | 110.2 | P1879 R1884 | P1879-E1881 VanDerWaalsContact C-N 3.33Å; E1881-R1884 IonicContact OE2-CZ 2.78Å; E1881-R1884 VanDerWaalsContact OE2-CZ 3.31Å; E1881-R1884 IonicContact OE2-NH1 3.68Å; E1881-R1884 PolarHBondContact OE2-NH1 3.01Å; E1881-R1884 IonicContact OE2-NH2 3.77Å; E1881-R1884 PolarHBondContact OE2-NH2 3.33Å | ||
| 1882 | I | 60.2 | Low | 75.1 | Confident | 110.6 Ų | 110.6 | 73.5 Ų | 73.5 | 57% | 0.567 | 39% | 0.39 | S | S | * | . | trans | -103.6 | -2 | -172.4 | -57.7 | 173.6 | 0 | 0 | 0 | 111.5 | R1884 | I1882-R1884 VanDerWaalsContact C-N 3.3Å; I1882-R1884 PolarHBondContact O-N 3.21Å; I1882-R1884 VanDerWaalsContact O-N 3.15Å | ||
| 1883 | D | 54.9 | Low | 74.9 | Confident | 147.2 Ų | 147.2 | 79.8 Ų | 79.8 | 79% | 0.787 | 42% | 0.419 | S | S | * | . | trans | -74.1 | 62.2 | -170.6 | -69.1 | -23.8 | 0 | 0 | 0 | 113.3 | A1885 D1886 | D1883-A1885 PolarHBondContact O-N 2.94Å; D1883-D1886 PolarHBondContact O-N 3.2Å; D1883-D1886 VanDerWaalsContact O-N 3.16Å | ||
| 1884 | R | 53.8 | Low | 75 | Confident | 201.2 Ų | 201.2 | 77.2 Ų | 77.2 | 76% | 0.759 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 1.7 | -177.6 | -69 | -173.7 | 175 | 163.1 | -0.5 | 115.9 | E1881 I1882 D1886 | E1881-R1884 IonicContact OE2-CZ 2.78Å; E1881-R1884 VanDerWaalsContact OE2-CZ 3.31Å; E1881-R1884 IonicContact OE2-NH1 3.68Å; E1881-R1884 PolarHBondContact OE2-NH1 3.01Å; E1881-R1884 IonicContact OE2-NH2 3.77Å; E1881-R1884 PolarHBondContact OE2-NH2 3.33Å; I1882-R1884 VanDerWaalsContact C-N 3.3Å; I1882-R1884 PolarHBondContact O-N 3.21Å; I1882-R1884 VanDerWaalsContact O-N 3.15Å; R1884-D1886 PolarHBondContact O-N 2.95Å; R1884-D1886 VanDerWaalsContact O-N 3.1Å |
| 1885 | A | 56.2 | Low | 75.6 | Confident | 80.6 Ų | 80.6 | 74.9 Ų | 74.9 | 67% | 0.666 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -86.9 | -63.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1883 L1887 | D1883-A1885 PolarHBondContact O-N 2.94Å; A1885-L1887 PolarHBondContact O-N 3.28Å |
| 1886 | D | 72.3 | Confident | 75.7 | Confident | 97 Ų | 97 | 75.4 Ų | 75.4 | 52% | 0.519 | 39% | 0.39 | S | S | . | . | trans | -88 | 73 | -174.9 | -84.5 | -30.6 | 0 | 0 | 0 | 110.8 | D1883 R1884 M1888 D1889 A1890 K2756 | D1883-D1886 PolarHBondContact O-N 3.2Å; D1883-D1886 VanDerWaalsContact O-N 3.16Å; R1884-D1886 PolarHBondContact O-N 2.95Å; R1884-D1886 VanDerWaalsContact O-N 3.1Å; D1886-M1888 VanDerWaalsContact C-N 3.27Å; D1886-M1888 PolarHBondContact O-N 3.21Å; D1886-M1888 VanDerWaalsContact O-N 3.14Å; D1886-M1888 PolarHBondContact OD1-N 3.5Å; D1886-D1889 HydrophobicContact CB-CB 4.26Å; D1886-D1889 PolarHBondContact O-N 3.08Å; D1886-A1890 WeakPolarHBondContact O-CB 3.32Å; D1886-A1890 PolarHBondContact O-N 3.22Å; D1886-A1890 VanDerWaalsContact O-N 3.11Å; D1886-K2756 IonicContact OD2-NZ 2.7Å; D1886-K2756 PolarHBondContact OD2-NZ 3.09Å | ||
| 1887 | L | 74.9 | Confident | 76 | Confident | 78.8 Ų | 78.8 | 77.9 Ų | 77.9 | 41% | 0.413 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -55.6 | -31.8 | -176.1 | 179 | 63 | 0 | 0 | 0 | 113 | P1879 A1885 A1890 K1891 | P1879-L1887 HydrophobicContact CG-CD1 3.85Å; A1885-L1887 PolarHBondContact O-N 3.28Å; L1887-A1890 PolarHBondContact O-N 3.16Å; L1887-K1891 WeakPolarHBondContact O-CB 3.33Å; L1887-K1891 VanDerWaalsContact O-CG 3.27Å; L1887-K1891 WeakPolarHBondContact O-CG 3.42Å; L1887-K1891 PolarHBondContact O-N 3.2Å; L1887-K1891 VanDerWaalsContact O-N 3.15Å |
| 1888 | M | 75.4 | Confident | 76.3 | Confident | 70.4 Ų | 70.4 | 78.7 Ų | 78.7 | 35% | 0.347 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -75.1 | -36.1 | 177.6 | -68.8 | -59.5 | -72 | 0 | 0 | 112.7 | D1886 K1891 S1892 E1943 S1944 | D1886-M1888 VanDerWaalsContact C-N 3.27Å; D1886-M1888 PolarHBondContact O-N 3.21Å; D1886-M1888 VanDerWaalsContact O-N 3.14Å; D1886-M1888 PolarHBondContact OD1-N 3.5Å; M1888-K1891 WeakPolarHBondContact O-CB 3.46Å; M1888-K1891 PolarHBondContact O-N 3.07Å; M1888-K1891 HydrophobicContact SD-CD 4.11Å; M1888-S1892 WeakPolarHBondContact O-CB 3.22Å; M1888-S1892 PolarHBondContact O-N 3.04Å; M1888-S1892 PolarHBondContact O-OG 3.23Å; M1888-E1943 HydrophobicContact CE-CB 3.97Å; M1888-S1944 WeakPolarHBondContact CE-OG 3.41Å |
| 1889 | D | 80.2 | Confident | 76.7 | Confident | 75.2 Ų | 75.2 | 76.1 Ų | 76.1 | 40% | 0.402 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -71.9 | -40 | 176 | -69.6 | -26.5 | 0 | 0 | 0 | 110.8 | D1886 K1891 S1892 H1893 | D1886-D1889 HydrophobicContact CB-CB 4.26Å; D1886-D1889 PolarHBondContact O-N 3.08Å; D1889-K1891 VanDerWaalsContact C-N 3.33Å; D1889-K1891 PolarHBondContact O-N 3.08Å; D1889-S1892 CarbonylContact O-C 3.58Å; D1889-S1892 WeakPolarHBondContact O-CA 3.29Å; D1889-S1892 VanDerWaalsContact O-CB 3.28Å; D1889-S1892 WeakPolarHBondContact O-CB 3.33Å; D1889-S1892 PolarHBondContact O-N 3.03Å; D1889-S1892 VanDerWaalsContact O-N 3.07Å; D1889-H1893 WeakPolarHBondContact O-CB 3.3Å; D1889-H1893 PolarHBondContact O-CD2 3.12Å; D1889-H1893 PolarHBondContact O-N 3.11Å; D1889-H1893 PolarHBondContact O-ND1 3.46Å |
| 1890 | A | 82.4 | Confident | 77.1 | Confident | 29.2 Ų | 29.2 | 77.8 Ų | 77.8 | 24% | 0.241 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1879 D1886 L1887 L1894 | P1879-A1890 HydrophobicContact CB-CB 4.04Å; P1879-A1890 HydrophobicContact CG-CB 3.85Å; D1886-A1890 WeakPolarHBondContact O-CB 3.32Å; D1886-A1890 PolarHBondContact O-N 3.22Å; D1886-A1890 VanDerWaalsContact O-N 3.11Å; L1887-A1890 PolarHBondContact O-N 3.16Å; A1890-L1894 VanDerWaalsContact O-CB 3.32Å; A1890-L1894 WeakPolarHBondContact O-CB 3.32Å; A1890-L1894 PolarHBondContact O-N 3.11Å; A1890-L1894 VanDerWaalsContact O-N 3.16Å |
| 1891 | K | 83.6 | Confident | 77.9 | Confident | 42.2 Ų | 42.2 | 72.8 Ų | 72.8 | 18% | 0.183 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 170.8 | -92.9 | 176.6 | 178.9 | -179.9 | 0 | 112.4 | L1877 L1887 M1888 D1889 L1894 F1895 N1941 E1943 S1944 | L1877-K1891 HydrophobicContact CB-CG 4.17Å; L1877-K1891 VanDerWaalsContact O-CE 3.24Å; L1877-K1891 WeakPolarHBondContact O-CE 3.38Å; L1887-K1891 WeakPolarHBondContact O-CB 3.33Å; L1887-K1891 VanDerWaalsContact O-CG 3.27Å; L1887-K1891 WeakPolarHBondContact O-CG 3.42Å; L1887-K1891 PolarHBondContact O-N 3.2Å; L1887-K1891 VanDerWaalsContact O-N 3.15Å; M1888-K1891 WeakPolarHBondContact O-CB 3.46Å; M1888-K1891 PolarHBondContact O-N 3.07Å; M1888-K1891 HydrophobicContact SD-CD 4.11Å; D1889-K1891 VanDerWaalsContact C-N 3.33Å; D1889-K1891 PolarHBondContact O-N 3.08Å; K1891-L1894 PolarHBondContact O-N 2.98Å; K1891-F1895 WeakPolarHBondContact O-CB 3.37Å; K1891-F1895 PolarHBondContact O-N 3.12Å; K1891-N1941 WeakPolarHBondContact CE-OD1 3.3Å; K1891-E1943 IonicContact NZ-OE2 2.73Å; K1891-E1943 PolarHBondContact NZ-OE2 3.45Å; K1891-S1944 WeakPolarHBondContact CB-OG 3.26Å; K1891-S1944 VanDerWaalsContact CE-OG 3.28Å; K1891-S1944 WeakPolarHBondContact CE-OG 3.37Å |
| 1892 | S | 85.9 | Confident | 79.2 | Confident | 18.2 Ų | 18.2 | 65.4 Ų | 65.4 | 13% | 0.127 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 179.6 | -102.5 | 0 | 0 | 0 | 0 | 111.7 | M1888 D1889 L1894 F1895 A1896 S1944 H1948 | M1888-S1892 WeakPolarHBondContact O-CB 3.22Å; M1888-S1892 PolarHBondContact O-N 3.04Å; M1888-S1892 PolarHBondContact O-OG 3.23Å; D1889-S1892 CarbonylContact O-C 3.58Å; D1889-S1892 WeakPolarHBondContact O-CA 3.29Å; D1889-S1892 VanDerWaalsContact O-CB 3.28Å; D1889-S1892 WeakPolarHBondContact O-CB 3.33Å; D1889-S1892 PolarHBondContact O-N 3.03Å; D1889-S1892 VanDerWaalsContact O-N 3.07Å; S1892-L1894 PolarHBondContact O-N 3.15Å; S1892-F1895 WeakPolarHBondContact O-CB 3.29Å; S1892-F1895 PolarHBondContact O-N 3.17Å; S1892-A1896 WeakPolarHBondContact O-CB 3.26Å; S1892-A1896 PolarHBondContact O-N 3.15Å; S1892-S1944 VanDerWaalsContact OG-CA 3.29Å; S1892-S1944 WeakPolarHBondContact OG-CA 3.43Å; S1892-S1944 VanDerWaalsContact OG-CB 3.27Å; S1892-S1944 WeakPolarHBondContact OG-CB 3.42Å; S1892-S1944 PolarHBondContact OG-O 3.07Å; S1892-S1944 PolarHBondContact OG-OG 2.79Å; S1892-H1948 PolarHBondContact O-NE2 3.06Å; S1892-H1948 PolarHBondContact OG-NE2 3.18Å |
| 1893 | H | 86 | Confident | 80.2 | Confident | 133.8 Ų | 133.8 | 61.2 Ų | 61.2 | 62% | 0.619 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.2 | -42.5 | 172 | -89.2 | -57.6 | 0 | 0 | 0 | 112.5 | D1889 F1895 A1896 K1897 | D1889-H1893 WeakPolarHBondContact O-CB 3.3Å; D1889-H1893 PolarHBondContact O-CD2 3.12Å; D1889-H1893 PolarHBondContact O-N 3.11Å; D1889-H1893 PolarHBondContact O-ND1 3.46Å; H1893-F1895 VanDerWaalsContact C-N 3.34Å; H1893-F1895 PolarHBondContact O-N 3.03Å; H1893-A1896 PolarHBondContact O-N 3.03Å; H1893-K1897 WeakPolarHBondContact O-CB 3.44Å; H1893-K1897 PolarHBondContact O-N 3.02Å |
| 1894 | L | 87.6 | Confident | 81.6 | Confident | 23.6 Ų | 23.6 | 58.6 Ų | 58.6 | 12% | 0.124 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.5 | -37.5 | 176.9 | -174.1 | 57.7 | 0 | 0 | 0 | 112.1 | L1877 Q1878 A1890 K1891 S1892 K1897 Y1898 | L1877-L1894 HydrophobicContact CB-CD2 4.26Å; L1877-L1894 HydrophobicContact CD1-CB 4.47Å; L1877-L1894 HydrophobicContact CD1-CG 4.39Å; L1877-L1894 HydrophobicContact CD2-CD2 4.23Å; L1877-L1894 HydrophobicContact CD2-CG 4.29Å; Q1878-L1894 WeakPolarHBondContact O-CD2 3.41Å; A1890-L1894 VanDerWaalsContact O-CB 3.32Å; A1890-L1894 WeakPolarHBondContact O-CB 3.32Å; A1890-L1894 PolarHBondContact O-N 3.11Å; A1890-L1894 VanDerWaalsContact O-N 3.16Å; K1891-L1894 PolarHBondContact O-N 2.98Å; S1892-L1894 PolarHBondContact O-N 3.15Å; L1894-K1897 HydrophobicContact CD1-CD 4.11Å; L1894-K1897 WeakPolarHBondContact O-CB 3.48Å; L1894-Y1898 HydrophobicContact CD1-CD2 4.24Å; L1894-Y1898 HydrophobicContact CD1-CE2 3.54Å; L1894-Y1898 VanDerWaalsContact CD1-CE2 3.47Å; L1894-Y1898 HydrophobicContact CD2-CE2 4.42Å; L1894-Y1898 HydrophobicContact CG-CD2 4.27Å; L1894-Y1898 HydrophobicContact CG-CE2 3.73Å; L1894-Y1898 VanDerWaalsContact O-CD2 3.22Å; L1894-Y1898 WeakPolarHBondContact O-CD2 3.24Å; L1894-Y1898 PolarHBondContact O-N 3.11Å |
| 1895 | F | 90.2 | Very high | 83.1 | Confident | 0.2 Ų | 0.2 | 49.8 Ų | 49.8 | 0% | 0.001 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.1 | -51.2 | 170.8 | -176.5 | -81.9 | 0 | 0 | 0 | 110.7 | L1877 K1891 S1892 H1893 K1897 Y1898 F1899 L1937 L1938 N1941 G1945 H1948 | L1877-F1895 HydrophobicContact CD1-CB 3.74Å; L1877-F1895 HydrophobicContact CD1-CD2 4.19Å; L1877-F1895 HydrophobicContact CD1-CG 4.41Å; K1891-F1895 WeakPolarHBondContact O-CB 3.37Å; K1891-F1895 PolarHBondContact O-N 3.12Å; S1892-F1895 WeakPolarHBondContact O-CB 3.29Å; S1892-F1895 PolarHBondContact O-N 3.17Å; H1893-F1895 VanDerWaalsContact C-N 3.34Å; H1893-F1895 PolarHBondContact O-N 3.03Å; F1895-K1897 VanDerWaalsContact C-N 3.3Å; F1895-K1897 PolarHBondContact O-N 3.09Å; F1895-Y1898 PolarHBondContact O-N 3.1Å; F1895-Y1898 VanDerWaalsContact O-N 3.16Å; F1895-F1899 HydrophobicContact CD1-CB 4.03Å; F1895-F1899 HydrophobicContact CD1-CD2 4.47Å; F1895-F1899 HydrophobicContact CD1-CG 4.4Å; F1895-F1899 HydrophobicContact CE1-CB 3.77Å; F1895-F1899 HydrophobicContact CE1-CD1 4.34Å; F1895-F1899 AromaticContact CE1-CD2 3.53Å; F1895-F1899 HydrophobicContact CE1-CD2 3.53Å; F1895-F1899 VanDerWaalsContact CE1-CD2 3.45Å; F1895-F1899 HydrophobicContact CE1-CE2 4.17Å; F1895-F1899 AromaticContact CE1-CG 3.68Å; F1895-F1899 HydrophobicContact CE1-CG 3.68Å; F1895-F1899 HydrophobicContact CZ-CB 4.4Å; F1895-F1899 AromaticContact CZ-CD2 3.66Å; F1895-F1899 HydrophobicContact CZ-CD2 3.66Å; F1895-F1899 AromaticContact CZ-CE2 3.96Å; F1895-F1899 HydrophobicContact CZ-CE2 4.02Å; F1895-F1899 HydrophobicContact CZ-CG 4.18Å; F1895-F1899 VanDerWaalsContact O-CB 3.23Å; F1895-F1899 WeakPolarHBondContact O-CB 3.37Å; F1895-F1899 PolarHBondContact O-N 2.98Å; F1895-L1937 HydrophobicContact CD2-CD1 4.4Å; F1895-L1937 HydrophobicContact CD2-CD2 4.01Å; F1895-L1937 HydrophobicContact CD2-CG 3.92Å; F1895-L1937 HydrophobicContact CE2-CD1 4.47Å; F1895-L1937 HydrophobicContact CE2-CD2 3.79Å; F1895-L1937 HydrophobicContact CE2-CG 3.67Å; F1895-L1937 HydrophobicContact CZ-CD2 4.21Å; F1895-L1937 HydrophobicContact CZ-CG 4.42Å; F1895-L1938 HydrophobicContact CE2-CB 4.38Å; F1895-L1938 HydrophobicContact CE2-CD1 4.12Å; F1895-L1938 HydrophobicContact CE2-CD2 3.88Å; F1895-L1938 HydrophobicContact CE2-CG 4.02Å; F1895-L1938 HydrophobicContact CZ-CB 4.4Å; F1895-L1938 HydrophobicContact CZ-CD1 3.71Å; F1895-L1938 HydrophobicContact CZ-CD2 3.56Å; F1895-L1938 HydrophobicContact CZ-CG 4.04Å; F1895-N1941 HydrophobicContact CD2-CB 4.14Å; F1895-N1941 HydrophobicContact CE2-CB 4.18Å; F1895-G1945 VanDerWaalsContact CD1-CA 3.47Å; F1895-G1945 VanDerWaalsContact CE1-CA 3.44Å; F1895-G1945 WeakPolarHBondContact CE1-O 3.42Å; F1895-G1945 VanDerWaalsContact CE2-CA 3.46Å; F1895-G1945 VanDerWaalsContact CZ-CA 3.44Å; F1895-H1948 HydrophobicContact CD1-CB 4.07Å; F1895-H1948 AromaticContact CD1-CD2 3.93Å; F1895-H1948 HydrophobicContact CE1-CB 4.05Å |
| 1896 | A | 87.3 | Confident | 84.3 | Confident | 22.4 Ų | 22.4 | 46.6 Ų | 46.6 | 19% | 0.185 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.4 | -39.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1892 H1893 Y1898 F1899 S1900 | S1892-A1896 WeakPolarHBondContact O-CB 3.26Å; S1892-A1896 PolarHBondContact O-N 3.15Å; H1893-A1896 PolarHBondContact O-N 3.03Å; A1896-Y1898 PolarHBondContact O-N 3.12Å; A1896-F1899 PolarHBondContact O-N 3.13Å; A1896-S1900 VanDerWaalsContact O-CB 3.26Å; A1896-S1900 WeakPolarHBondContact O-CB 3.34Å; A1896-S1900 PolarHBondContact O-N 3.04Å; A1896-S1900 PolarHBondContact O-OG 3.3Å |
| 1897 | K | 89 | Confident | 84.6 | Confident | 103.6 Ų | 103.6 | 44.6 Ų | 44.6 | 45% | 0.45 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -54.8 | -56.2 | 173.4 | 180 | -168.9 | 177.4 | -174.7 | 0 | 111.8 | D1485 H1893 L1894 F1895 L1901 | D1485-K1897 IonicContact OD1-NZ 2.77Å; D1485-K1897 PolarHBondContact OD1-NZ 3.37Å; H1893-K1897 WeakPolarHBondContact O-CB 3.44Å; H1893-K1897 PolarHBondContact O-N 3.02Å; L1894-K1897 HydrophobicContact CD1-CD 4.11Å; L1894-K1897 WeakPolarHBondContact O-CB 3.48Å; F1895-K1897 VanDerWaalsContact C-N 3.3Å; F1895-K1897 PolarHBondContact O-N 3.09Å; K1897-L1901 PolarHBondContact O-N 3.21Å |
| 1898 | Y | 90.8 | Very high | 84.7 | Confident | 18.8 Ų | 18.8 | 45 Ų | 45 | 7% | 0.074 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.5 | -38.8 | -178.7 | -63.5 | -49.9 | 0 | 0 | 0 | 112.5 | V1484 D1485 C1488 L1877 L1894 F1895 A1896 S1900 L1901 F1902 L1937 | V1484-Y1898 HydrophobicContact CG1-CD1 4.3Å; V1484-Y1898 HydrophobicContact CG1-CE1 3.79Å; V1484-Y1898 HydrophobicContact CG1-CE2 4.27Å; D1485-Y1898 PolarHBondContact N-OH 3.12Å; D1485-Y1898 WeakPolarHBondContact OD1-CE1 3.49Å; D1485-Y1898 PolarHBondContact OD1-OH 3.27Å; D1485-Y1898 VanDerWaalsContact OD1-OH 3.12Å; D1485-Y1898 PolarHBondContact OD2-OH 2.91Å; C1488-Y1898 HydrophobicContact CB-CD1 4.42Å; C1488-Y1898 HydrophobicContact CB-CE1 4.18Å; L1877-Y1898 HydrophobicContact CD1-CD2 4.48Å; L1877-Y1898 HydrophobicContact CD2-CD2 3.98Å; L1877-Y1898 HydrophobicContact CD2-CE2 3.76Å; L1894-Y1898 HydrophobicContact CD1-CD2 4.24Å; L1894-Y1898 HydrophobicContact CD1-CE2 3.54Å; L1894-Y1898 VanDerWaalsContact CD1-CE2 3.47Å; L1894-Y1898 HydrophobicContact CD2-CE2 4.42Å; L1894-Y1898 HydrophobicContact CG-CD2 4.27Å; L1894-Y1898 HydrophobicContact CG-CE2 3.73Å; L1894-Y1898 VanDerWaalsContact O-CD2 3.22Å; L1894-Y1898 WeakPolarHBondContact O-CD2 3.24Å; L1894-Y1898 PolarHBondContact O-N 3.11Å; F1895-Y1898 PolarHBondContact O-N 3.1Å; F1895-Y1898 VanDerWaalsContact O-N 3.16Å; A1896-Y1898 PolarHBondContact O-N 3.12Å; Y1898-S1900 PolarHBondContact O-N 3.02Å; Y1898-L1901 WeakPolarHBondContact O-CB 3.29Å; Y1898-L1901 PolarHBondContact O-N 3Å; Y1898-F1902 VanDerWaalsContact O-CD2 3.29Å; Y1898-F1902 WeakPolarHBondContact O-CD2 3.41Å; Y1898-F1902 VanDerWaalsContact O-CG 3.26Å; Y1898-F1902 WeakPolarHBondContact O-CG 3.39Å; Y1898-F1902 PolarHBondContact O-N 2.98Å; Y1898-F1902 VanDerWaalsContact O-N 3.1Å; Y1898-L1937 HydrophobicContact CD2-CD1 4.46Å |
| 1899 | F | 88 | Confident | 84.7 | Confident | 14 Ų | 14 | 42.2 Ų | 42.2 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.1 | -42.7 | 179.9 | -166.6 | -100.2 | 0 | 0 | 0 | 112 | F1895 A1896 L1901 F1902 M1903 M1934 L1937 L1938 A1949 L1952 | F1895-F1899 HydrophobicContact CD1-CB 4.03Å; F1895-F1899 HydrophobicContact CD1-CD2 4.47Å; F1895-F1899 HydrophobicContact CD1-CG 4.4Å; F1895-F1899 HydrophobicContact CE1-CB 3.77Å; F1895-F1899 HydrophobicContact CE1-CD1 4.34Å; F1895-F1899 AromaticContact CE1-CD2 3.53Å; F1895-F1899 HydrophobicContact CE1-CD2 3.53Å; F1895-F1899 VanDerWaalsContact CE1-CD2 3.45Å; F1895-F1899 HydrophobicContact CE1-CE2 4.17Å; F1895-F1899 AromaticContact CE1-CG 3.68Å; F1895-F1899 HydrophobicContact CE1-CG 3.68Å; F1895-F1899 HydrophobicContact CZ-CB 4.4Å; F1895-F1899 AromaticContact CZ-CD2 3.66Å; F1895-F1899 HydrophobicContact CZ-CD2 3.66Å; F1895-F1899 AromaticContact CZ-CE2 3.96Å; F1895-F1899 HydrophobicContact CZ-CE2 4.02Å; F1895-F1899 HydrophobicContact CZ-CG 4.18Å; F1895-F1899 VanDerWaalsContact O-CB 3.23Å; F1895-F1899 WeakPolarHBondContact O-CB 3.37Å; F1895-F1899 PolarHBondContact O-N 2.98Å; A1896-F1899 PolarHBondContact O-N 3.13Å; F1899-L1901 VanDerWaalsContact C-N 3.33Å; F1899-L1901 PolarHBondContact O-N 3.46Å; F1899-F1902 PolarHBondContact O-N 3.19Å; F1899-M1903 HydrophobicContact CD1-CG 4.37Å; F1899-M1903 HydrophobicContact CE1-CG 4.26Å; F1899-M1903 HydrophobicContact CZ-CG 4.23Å; F1899-M1903 WeakPolarHBondContact O-CB 3.3Å; F1899-M1903 WeakPolarHBondContact O-CG 3.39Å; F1899-M1903 PolarHBondContact O-N 3.12Å; F1899-M1934 HydrophobicContact CD2-CE 3.88Å; F1899-M1934 HydrophobicContact CE1-CE 4.41Å; F1899-M1934 HydrophobicContact CE2-CE 3.42Å; F1899-M1934 VanDerWaalsContact CE2-CE 3.43Å; F1899-M1934 HydrophobicContact CZ-CE 3.76Å; F1899-L1937 HydrophobicContact CD2-CD2 4.43Å; F1899-L1938 HydrophobicContact CE2-CD1 4.13Å; F1899-A1949 HydrophobicContact CE1-CB 4.26Å; F1899-A1949 HydrophobicContact CE2-CB 3.86Å; F1899-A1949 HydrophobicContact CZ-CB 3.62Å; F1899-A1949 VanDerWaalsContact CZ-CB 3.49Å; F1899-L1952 HydrophobicContact CE1-CD1 3.66Å; F1899-L1952 HydrophobicContact CE1-CG 4.05Å; F1899-L1952 HydrophobicContact CE2-CD1 4.28Å; F1899-L1952 HydrophobicContact CZ-CD1 3.45Å; F1899-L1952 VanDerWaalsContact CZ-CD1 3.43Å; F1899-L1952 HydrophobicContact CZ-CD2 4.38Å; F1899-L1952 HydrophobicContact CZ-CG 4.03Å |
| 1900 | S | 86.6 | Confident | 84.1 | Confident | 63.8 Ų | 63.8 | 39.6 Ų | 39.6 | 45% | 0.446 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.2 | -38.8 | 174.6 | -60.7 | 0 | 0 | 0 | 0 | 112.3 | A1896 Y1898 M1903 N1904 | A1896-S1900 VanDerWaalsContact O-CB 3.26Å; A1896-S1900 WeakPolarHBondContact O-CB 3.34Å; A1896-S1900 PolarHBondContact O-N 3.04Å; A1896-S1900 PolarHBondContact O-OG 3.3Å; Y1898-S1900 PolarHBondContact O-N 3.02Å; S1900-M1903 PolarHBondContact O-N 2.99Å; S1900-N1904 WeakPolarHBondContact O-CB 3.45Å; S1900-N1904 VanDerWaalsContact O-CG 3.27Å; S1900-N1904 PolarHBondContact O-N 2.83Å; S1900-N1904 PolarHBondContact O-ND2 3.42Å; S1900-N1904 PolarHBondContact O-OD1 2.99Å |
| 1901 | L | 88.7 | Confident | 83.2 | Confident | 41.4 Ų | 41.4 | 44.9 Ų | 44.9 | 22% | 0.217 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.7 | -47.2 | 175.1 | 178.8 | 61.5 | 0 | 0 | 0 | 111.6 | C1488 I1491 M1492 K1897 Y1898 F1899 N1904 L1905 | C1488-L1901 HydrophobicContact CB-CD2 3.64Å; I1491-L1901 HydrophobicContact CG2-CD1 4.29Å; M1492-L1901 HydrophobicContact CG-CD1 3.57Å; M1492-L1901 HydrophobicContact CG-CD2 4.16Å; M1492-L1901 HydrophobicContact CG-CG 4.48Å; M1492-L1901 HydrophobicContact SD-CD1 4.43Å; M1492-L1901 HydrophobicContact SD-CD2 4.49Å; K1897-L1901 PolarHBondContact O-N 3.21Å; Y1898-L1901 WeakPolarHBondContact O-CB 3.29Å; Y1898-L1901 PolarHBondContact O-N 3Å; F1899-L1901 VanDerWaalsContact C-N 3.33Å; F1899-L1901 PolarHBondContact O-N 3.46Å; L1901-N1904 PolarHBondContact O-N 3.33Å; L1901-L1905 WeakPolarHBondContact O-CB 3.44Å; L1901-L1905 PolarHBondContact O-N 3.29Å; L1901-L1905 VanDerWaalsContact O-N 3.11Å |
| 1902 | F | 88.4 | Confident | 82 | Confident | 1.8 Ų | 1.8 | 44.7 Ų | 44.7 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.4 | -34.5 | 178.4 | -58 | -29.1 | 0 | 0 | 0 | 112.6 | M1865 V1868 L1872 Y1898 F1899 L1905 L1906 T1930 A1933 M1934 L1937 | M1865-F1902 HydrophobicContact CE-CD1 3.67Å; M1865-F1902 HydrophobicContact CE-CE1 3.67Å; M1865-F1902 HydrophobicContact CE-CG 4.33Å; M1865-F1902 HydrophobicContact CE-CZ 4.35Å; M1865-F1902 HydrophobicContact SD-CD1 4.04Å; M1865-F1902 HydrophobicContact SD-CE1 3.85Å; V1868-F1902 HydrophobicContact CG1-CE1 4.12Å; V1868-F1902 HydrophobicContact CG1-CZ 3.73Å; L1872-F1902 HydrophobicContact CD1-CE2 3.88Å; L1872-F1902 HydrophobicContact CD1-CZ 3.94Å; Y1898-F1902 VanDerWaalsContact O-CD2 3.29Å; Y1898-F1902 WeakPolarHBondContact O-CD2 3.41Å; Y1898-F1902 VanDerWaalsContact O-CG 3.26Å; Y1898-F1902 WeakPolarHBondContact O-CG 3.39Å; Y1898-F1902 PolarHBondContact O-N 2.98Å; Y1898-F1902 VanDerWaalsContact O-N 3.1Å; F1899-F1902 PolarHBondContact O-N 3.19Å; F1902-L1905 PolarHBondContact O-N 3.4Å; F1902-L1906 WeakPolarHBondContact O-CG 3.36Å; F1902-L1906 PolarHBondContact O-N 2.95Å; F1902-T1930 HydrophobicContact CB-CG2 3.9Å; F1902-T1930 HydrophobicContact CD1-CG2 4.48Å; F1902-T1930 HydrophobicContact CG-CG2 4.48Å; F1902-A1933 HydrophobicContact CE2-CB 4.42Å; F1902-A1933 HydrophobicContact CZ-CB 4.48Å; F1902-M1934 HydrophobicContact CB-CG 3.69Å; F1902-M1934 HydrophobicContact CB-SD 3.97Å; F1902-M1934 HydrophobicContact CD2-CG 3.85Å; F1902-M1934 HydrophobicContact CG-CG 4.17Å; F1902-L1937 HydrophobicContact CD2-CD2 4.46Å; F1902-L1937 HydrophobicContact CE2-CD2 4.19Å |
| 1903 | M | 82.6 | Confident | 80.6 | Confident | 21 Ų | 21 | 51.3 Ų | 51.3 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.6 | -43 | 173.6 | -80.6 | -57.7 | -54.5 | 0 | 0 | 112.8 | F1899 S1900 L1905 L1906 N1907 M1934 L1952 S1960 | F1899-M1903 HydrophobicContact CD1-CG 4.37Å; F1899-M1903 HydrophobicContact CE1-CG 4.26Å; F1899-M1903 HydrophobicContact CZ-CG 4.23Å; F1899-M1903 WeakPolarHBondContact O-CB 3.3Å; F1899-M1903 WeakPolarHBondContact O-CG 3.39Å; F1899-M1903 PolarHBondContact O-N 3.12Å; S1900-M1903 PolarHBondContact O-N 2.99Å; M1903-L1905 VanDerWaalsContact C-N 3.32Å; M1903-L1905 PolarHBondContact O-N 3.25Å; M1903-L1906 PolarHBondContact O-N 3.09Å; M1903-L1906 VanDerWaalsContact O-N 3.17Å; M1903-L1906 HydrophobicContact SD-CD1 4.25Å; M1903-N1907 VanDerWaalsContact O-CG 3.27Å; M1903-N1907 PolarHBondContact O-N 2.91Å; M1903-N1907 VanDerWaalsContact O-N 3.09Å; M1903-N1907 PolarHBondContact O-ND2 3.06Å; M1903-N1907 PolarHBondContact O-OD1 3.19Å; M1903-M1934 HydrophobicContact CG-CE 3.99Å; M1903-M1934 HydrophobicContact SD-CE 3.68Å; M1903-M1934 VanDerWaalsContact SD-CE 3.59Å; M1903-M1934 HydrophobicContact SD-SD 4.41Å; M1903-L1952 HydrophobicContact CE-CD1 4.28Å; M1903-L1952 HydrophobicContact CE-CD2 4.08Å; M1903-L1952 HydrophobicContact CG-CD1 4.21Å; M1903-L1952 HydrophobicContact SD-CD1 3.57Å; M1903-L1952 VanDerWaalsContact SD-CD1 3.56Å; M1903-L1952 WeakPolarHBondContact SD-CD1 3.29Å; M1903-L1952 HydrophobicContact SD-CD2 4Å; M1903-L1952 HydrophobicContact SD-CG 4.29Å; M1903-S1960 WeakPolarHBondContact CE-OG 3.34Å |
| 1904 | N | 84.3 | Confident | 78.9 | Confident | 93.2 Ų | 93.2 | 53.7 Ų | 53.7 | 50% | 0.498 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 175 | -68.7 | -12.3 | 0 | 0 | 0 | 110.8 | S1900 L1901 L1906 N1907 D1908 | S1900-N1904 WeakPolarHBondContact O-CB 3.45Å; S1900-N1904 VanDerWaalsContact O-CG 3.27Å; S1900-N1904 PolarHBondContact O-N 2.83Å; S1900-N1904 PolarHBondContact O-ND2 3.42Å; S1900-N1904 PolarHBondContact O-OD1 2.99Å; L1901-N1904 PolarHBondContact O-N 3.33Å; N1904-L1906 VanDerWaalsContact C-N 3.3Å; N1904-L1906 PolarHBondContact O-N 3.16Å; N1904-N1907 WeakPolarHBondContact O-CA 3.5Å; N1904-N1907 WeakPolarHBondContact O-CB 3.41Å; N1904-N1907 PolarHBondContact O-N 3.18Å; N1904-N1907 VanDerWaalsContact O-N 3.13Å; N1904-D1908 VanDerWaalsContact O-CG 3.28Å; N1904-D1908 PolarHBondContact O-N 3.22Å |
| 1905 | L | 84.3 | Confident | 77.1 | Confident | 16.4 Ų | 16.4 | 57.8 Ų | 57.8 | 9% | 0.086 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.3 | -32.5 | 176.7 | -174 | 61.5 | 0 | 0 | 0 | 113.3 | I1491 M1865 L1901 F1902 M1903 V1909 L1926 T1930 | I1491-L1905 HydrophobicContact CG2-CD2 4.2Å; M1865-L1905 HydrophobicContact CE-CD2 4.32Å; M1865-L1905 HydrophobicContact CG-CD2 3.65Å; M1865-L1905 HydrophobicContact SD-CD2 3.85Å; L1901-L1905 WeakPolarHBondContact O-CB 3.44Å; L1901-L1905 PolarHBondContact O-N 3.29Å; L1901-L1905 VanDerWaalsContact O-N 3.11Å; F1902-L1905 PolarHBondContact O-N 3.4Å; M1903-L1905 VanDerWaalsContact C-N 3.32Å; M1903-L1905 PolarHBondContact O-N 3.25Å; L1905-V1909 WeakPolarHBondContact O-CB 3.39Å; L1905-V1909 VanDerWaalsContact O-CG2 3.24Å; L1905-V1909 WeakPolarHBondContact O-CG2 3.34Å; L1905-V1909 PolarHBondContact O-N 3.05Å; L1905-L1926 HydrophobicContact CD1-CD2 4.42Å; L1905-L1926 HydrophobicContact CD2-CD1 4.32Å; L1905-T1930 HydrophobicContact CD2-CG2 4.29Å |
| 1906 | L | 81 | Confident | 75.4 | Confident | 13 Ų | 13 | 59.8 Ų | 59.8 | 7% | 0.068 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.6 | -37.4 | 172.4 | -75.4 | 176.7 | 0 | 0 | 0 | 112.5 | F1902 M1903 N1904 V1909 A1910 R1927 T1930 V1931 M1934 A1963 | F1902-L1906 WeakPolarHBondContact O-CG 3.36Å; F1902-L1906 PolarHBondContact O-N 2.95Å; M1903-L1906 PolarHBondContact O-N 3.09Å; M1903-L1906 VanDerWaalsContact O-N 3.17Å; M1903-L1906 HydrophobicContact SD-CD1 4.25Å; N1904-L1906 VanDerWaalsContact C-N 3.3Å; N1904-L1906 PolarHBondContact O-N 3.16Å; L1906-V1909 PolarHBondContact O-N 2.95Å; L1906-A1910 WeakPolarHBondContact O-CB 3.3Å; L1906-A1910 PolarHBondContact O-N 2.97Å; L1906-A1910 VanDerWaalsContact O-N 3.12Å; L1906-R1927 HydrophobicContact CD2-CB 4.47Å; L1906-R1927 HydrophobicContact CD2-CG 3.9Å; L1906-T1930 HydrophobicContact CD1-CG2 4.34Å; L1906-T1930 HydrophobicContact CD2-CG2 3.92Å; L1906-T1930 HydrophobicContact CG-CG2 3.77Å; L1906-V1931 HydrophobicContact CD1-CG2 4.35Å; L1906-V1931 HydrophobicContact CD2-CG2 4.23Å; L1906-M1934 HydrophobicContact CD1-SD 3.59Å; L1906-M1934 VanDerWaalsContact CD1-SD 3.56Å; L1906-A1963 HydrophobicContact CD1-CB 4.45Å |
| 1907 | N | 78.6 | Confident | 74 | Confident | 55.8 Ų | 55.8 | 62.4 Ų | 62.4 | 30% | 0.298 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.2 | -46.7 | 176 | -62 | -26.7 | 0 | 0 | 0 | 110.9 | M1903 N1904 V1909 A1910 D1911 | M1903-N1907 VanDerWaalsContact O-CG 3.27Å; M1903-N1907 PolarHBondContact O-N 2.91Å; M1903-N1907 VanDerWaalsContact O-N 3.09Å; M1903-N1907 PolarHBondContact O-ND2 3.06Å; M1903-N1907 PolarHBondContact O-OD1 3.19Å; N1904-N1907 WeakPolarHBondContact O-CA 3.5Å; N1904-N1907 WeakPolarHBondContact O-CB 3.41Å; N1904-N1907 PolarHBondContact O-N 3.18Å; N1904-N1907 VanDerWaalsContact O-N 3.13Å; N1907-V1909 PolarHBondContact O-N 3.01Å; N1907-A1910 WeakPolarHBondContact O-CA 3.41Å; N1907-A1910 WeakPolarHBondContact O-CB 3.3Å; N1907-A1910 PolarHBondContact O-N 3.31Å; N1907-D1911 PolarHBondContact O-N 3.15Å; N1907-D1911 VanDerWaalsContact O-N 3.11Å |
| 1908 | D | 77.4 | Confident | 72.4 | Confident | 87 Ų | 87 | 64.7 Ų | 64.7 | 47% | 0.465 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.6 | -24 | 176.1 | -69 | -15 | 0 | 0 | 0 | 113.1 | R1858 N1904 | R1858-D1908 PolarHBondContact NH2-O 3.13Å; N1904-D1908 VanDerWaalsContact O-CG 3.28Å; N1904-D1908 PolarHBondContact O-N 3.22Å |
| 1909 | V | 74.7 | Confident | 71 | Confident | 12.6 Ų | 12.6 | 67.2 Ų | 67.2 | 8% | 0.076 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -90.8 | -21.6 | 175.7 | 169.7 | 0 | 0 | 0 | 0 | 112.4 | L1905 L1906 N1907 H1923 L1926 R1927 | L1905-V1909 WeakPolarHBondContact O-CB 3.39Å; L1905-V1909 VanDerWaalsContact O-CG2 3.24Å; L1905-V1909 WeakPolarHBondContact O-CG2 3.34Å; L1905-V1909 PolarHBondContact O-N 3.05Å; L1906-V1909 PolarHBondContact O-N 2.95Å; N1907-V1909 PolarHBondContact O-N 3.01Å; V1909-H1923 HydrophobicContact CG1-CB 4.07Å; V1909-H1923 WeakPolarHBondContact CG1-O 3.36Å; V1909-L1926 HydrophobicContact CG2-CD2 3.67Å; V1909-L1926 HydrophobicContact CG2-CG 4.1Å; V1909-R1927 HydrophobicContact CG1-CB 4.07Å; V1909-R1927 HydrophobicContact CG1-CG 4.28Å |
| 1910 | A | 68.2 | Low | 69.7 | Low | 19.6 Ų | 19.6 | 73 Ų | 73 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -79.4 | -37.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1906 N1907 D1912 R1913 | L1906-A1910 WeakPolarHBondContact O-CB 3.3Å; L1906-A1910 PolarHBondContact O-N 2.97Å; L1906-A1910 VanDerWaalsContact O-N 3.12Å; N1907-A1910 WeakPolarHBondContact O-CA 3.41Å; N1907-A1910 WeakPolarHBondContact O-CB 3.3Å; N1907-A1910 PolarHBondContact O-N 3.31Å; A1910-D1912 PolarHBondContact O-N 2.97Å; A1910-R1913 WeakPolarHBondContact O-CB 3.39Å; A1910-R1913 VanDerWaalsContact O-CD 3.3Å; A1910-R1913 WeakPolarHBondContact O-CD 3.38Å; A1910-R1913 VanDerWaalsContact O-CG 3.23Å; A1910-R1913 WeakPolarHBondContact O-CG 3.37Å; A1910-R1913 PolarHBondContact O-N 3.44Å; A1910-R1913 PolarHBondContact O-NE 2.87Å; A1910-R1913 VanDerWaalsContact O-NE 3.1Å |
| 1911 | D | 63.5 | Low | 68.8 | Low | 140.2 Ų | 140.2 | 76.4 Ų | 76.4 | 75% | 0.75 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -73.7 | -28.9 | -177.1 | -75.6 | -16.3 | 0 | 0 | 0 | 113.2 | N1907 R1913 | N1907-D1911 PolarHBondContact O-N 3.15Å; N1907-D1911 VanDerWaalsContact O-N 3.11Å; D1911-R1913 PolarHBondContact O-N 3.2Å; D1911-R1913 VanDerWaalsContact O-N 3.16Å |
| 1912 | D | 59.4 | Low | 67.9 | Low | 37.8 Ų | 37.8 | 78.3 Ų | 78.3 | 20% | 0.202 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -76.2 | 11.7 | -173.4 | -126.8 | -4.3 | 0 | 0 | 0 | 114.8 | R1858 A1910 E1914 K1915 H1923 | R1858-D1912 IonicContact CZ-OD2 3.36Å; R1858-D1912 IonicContact NE-OD2 3.74Å; R1858-D1912 IonicContact NH2-OD2 2.74Å; R1858-D1912 PolarHBondContact NH2-OD2 3.22Å; A1910-D1912 PolarHBondContact O-N 2.97Å; D1912-E1914 VanDerWaalsContact C-N 3.28Å; D1912-E1914 PolarHBondContact O-N 2.89Å; D1912-E1914 VanDerWaalsContact O-N 3.12Å; D1912-K1915 PolarHBondContact O-N 3.34Å; D1912-K1915 WeakPolarHBondContact OD1-CD 3.41Å; D1912-K1915 WeakPolarHBondContact OD1-CE 3.23Å; D1912-K1915 IonicContact OD1-NZ 3.32Å; D1912-K1915 PolarHBondContact OD1-NZ 3.12Å; D1912-K1915 WeakPolarHBondContact OD2-CD 3.25Å; D1912-K1915 IonicContact OD2-NZ 3.2Å; D1912-K1915 PolarHBondContact OD2-NZ 2.77Å; D1912-H1923 VanDerWaalsContact CB-CE1 3.44Å; D1912-H1923 WeakPolarHBondContact CB-CE1 3.38Å; D1912-H1923 IonicContact OD2-CE1 3.19Å; D1912-H1923 PolarHBondContact OD2-CE1 3.09Å; D1912-H1923 IonicContact OD2-NE2 3.06Å |
| 1913 | R | 55.4 | Low | 67.2 | Low | 156.6 Ų | 156.6 | 79.2 Ų | 79.2 | 59% | 0.591 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -62.6 | -18 | -167.6 | -80.2 | 177.3 | 152.2 | -172.4 | -1.8 | 116.1 | A1910 D1911 K1915 R1920 E1957 | A1910-R1913 WeakPolarHBondContact O-CB 3.39Å; A1910-R1913 VanDerWaalsContact O-CD 3.3Å; A1910-R1913 WeakPolarHBondContact O-CD 3.38Å; A1910-R1913 VanDerWaalsContact O-CG 3.23Å; A1910-R1913 WeakPolarHBondContact O-CG 3.37Å; A1910-R1913 PolarHBondContact O-N 3.44Å; A1910-R1913 PolarHBondContact O-NE 2.87Å; A1910-R1913 VanDerWaalsContact O-NE 3.1Å; D1911-R1913 PolarHBondContact O-N 3.2Å; D1911-R1913 VanDerWaalsContact O-N 3.16Å; R1913-K1915 VanDerWaalsContact C-N 3.29Å; R1913-K1915 PolarHBondContact O-N 3.37Å; R1913-R1920 PolarHBondContact O-NH2 2.81Å; R1913-E1957 IonicContact CZ-OE1 2.64Å; R1913-E1957 IonicContact NH2-OE1 2.65Å; R1913-E1957 PolarHBondContact NH2-OE1 2.93Å |
| 1914 | E | 51.1 | Low | 67.1 | Low | 184.4 Ų | 184.4 | 81.8 Ų | 81.8 | 86% | 0.862 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -77.7 | -12.1 | -176.5 | -60.6 | -161.5 | 138.4 | 0 | 0 | 114.2 | D1912 R1920 | D1912-E1914 VanDerWaalsContact C-N 3.28Å; D1912-E1914 PolarHBondContact O-N 2.89Å; D1912-E1914 VanDerWaalsContact O-N 3.12Å; E1914-R1920 PolarHBondContact O-NH2 3.4Å |
| 1915 | K | 50.2 | Low | 67.1 | Low | 110.4 Ų | 110.4 | 79.1 Ų | 79.1 | 48% | 0.48 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -87.4 | 174.3 | -172 | -67.3 | 166.1 | -169.8 | 161.2 | 0 | 113.8 | D1912 R1913 I1919 R1920 | D1912-K1915 PolarHBondContact O-N 3.34Å; D1912-K1915 WeakPolarHBondContact OD1-CD 3.41Å; D1912-K1915 WeakPolarHBondContact OD1-CE 3.23Å; D1912-K1915 IonicContact OD1-NZ 3.32Å; D1912-K1915 PolarHBondContact OD1-NZ 3.12Å; D1912-K1915 WeakPolarHBondContact OD2-CD 3.25Å; D1912-K1915 IonicContact OD2-NZ 3.2Å; D1912-K1915 PolarHBondContact OD2-NZ 2.77Å; R1913-K1915 VanDerWaalsContact C-N 3.29Å; R1913-K1915 PolarHBondContact O-N 3.37Å; K1915-I1919 HydrophobicContact CB-CB 4.4Å; K1915-I1919 HydrophobicContact CB-CD1 4.16Å; K1915-I1919 HydrophobicContact CB-CG2 4.11Å; K1915-R1920 VanDerWaalsContact O-CZ 3.26Å; K1915-R1920 PolarHBondContact O-NE 3.16Å; K1915-R1920 PolarHBondContact O-NH2 3.29Å; K1915-R1920 VanDerWaalsContact O-NH2 3.08Å |
| 1916 | G | 54.2 | Low | 67.2 | Low | 41.6 Ų | 41.6 | 78.6 Ų | 78.6 | 43% | 0.429 | 41% | 0.408 | S | S | . | . | trans | -66.5 | 169.8 | -162.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | E1918 I1919 R1920 | G1916-E1918 PolarHBondContact O-N 3.14Å; G1916-I1919 WeakPolarHBondContact O-CB 3.4Å; G1916-I1919 PolarHBondContact O-N 3.33Å; G1916-I1919 VanDerWaalsContact O-N 3.12Å; G1916-R1920 WeakPolarHBondContact O-CG 3.46Å; G1916-R1920 PolarHBondContact O-N 2.96Å; G1916-R1920 VanDerWaalsContact O-N 3.13Å | ||
| 1917 | A | 57.9 | Low | 67.3 | Low | 78.2 Ų | 78.2 | 80 Ų | 80 | 65% | 0.646 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -60.7 | -43.4 | -166.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | I1919 R1920 Q1921 | A1917-I1919 VanDerWaalsContact C-N 3.32Å; A1917-I1919 PolarHBondContact O-N 3.1Å; A1917-R1920 WeakPolarHBondContact O-CB 3.43Å; A1917-R1920 PolarHBondContact O-N 3.13Å; A1917-R1920 VanDerWaalsContact O-N 3.16Å; A1917-Q1921 PolarHBondContact O-N 2.85Å; A1917-Q1921 VanDerWaalsContact O-N 3.14Å |
| 1918 | E | 55.6 | Low | 67.5 | Low | 152 Ų | 152 | 81 Ų | 81 | 71% | 0.71 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -66 | -39.7 | 178.7 | -63.2 | 177.9 | 151.8 | 0 | 0 | 111.4 | S1688 G1916 R1920 Q1921 N1922 | S1688-E1918 PolarHBondContact OG-OE1 3.49Å; G1916-E1918 PolarHBondContact O-N 3.14Å; E1918-R1920 VanDerWaalsContact C-N 3.3Å; E1918-R1920 PolarHBondContact O-N 3.09Å; E1918-Q1921 WeakPolarHBondContact O-CB 3.4Å; E1918-Q1921 PolarHBondContact O-N 2.98Å; E1918-Q1921 VanDerWaalsContact O-N 3.14Å; E1918-N1922 PolarHBondContact O-N 3.44Å; E1918-N1922 VanDerWaalsContact O-N 3.1Å |
| 1919 | I | 60.3 | Low | 68.1 | Low | 70.6 Ų | 70.6 | 78.2 Ų | 78.2 | 36% | 0.362 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.7 | -41.1 | 175.7 | -64.1 | 170 | 0 | 0 | 0 | 110.4 | R1858 K1915 G1916 A1917 Q1921 N1922 H1923 | R1858-I1919 VanDerWaalsContact NH1-CG2 3.3Å; K1915-I1919 HydrophobicContact CB-CB 4.4Å; K1915-I1919 HydrophobicContact CB-CD1 4.16Å; K1915-I1919 HydrophobicContact CB-CG2 4.11Å; G1916-I1919 WeakPolarHBondContact O-CB 3.4Å; G1916-I1919 PolarHBondContact O-N 3.33Å; G1916-I1919 VanDerWaalsContact O-N 3.12Å; A1917-I1919 VanDerWaalsContact C-N 3.32Å; A1917-I1919 PolarHBondContact O-N 3.1Å; I1919-Q1921 VanDerWaalsContact C-N 3.29Å; I1919-Q1921 PolarHBondContact O-N 3.01Å; I1919-N1922 PolarHBondContact O-N 3.19Å; I1919-H1923 VanDerWaalsContact CG2-CD2 3.48Å; I1919-H1923 WeakPolarHBondContact CG2-CD2 3.36Å; I1919-H1923 WeakPolarHBondContact CG2-NE2 3.36Å; I1919-H1923 WeakPolarHBondContact O-CB 3.35Å; I1919-H1923 PolarHBondContact O-CD2 3.24Å; I1919-H1923 PolarHBondContact O-N 3.02Å; I1919-H1923 VanDerWaalsContact O-N 3.09Å |
| 1920 | R | 60.9 | Low | 68.7 | Low | 136.2 Ų | 136.2 | 77.6 Ų | 77.6 | 51% | 0.514 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.1 | -32.2 | 177.9 | -66.7 | 174.7 | -168.6 | -166.6 | -3.6 | 113.3 | R1913 E1914 K1915 G1916 A1917 E1918 T1924 | R1913-R1920 PolarHBondContact O-NH2 2.81Å; E1914-R1920 PolarHBondContact O-NH2 3.4Å; K1915-R1920 VanDerWaalsContact O-CZ 3.26Å; K1915-R1920 PolarHBondContact O-NE 3.16Å; K1915-R1920 PolarHBondContact O-NH2 3.29Å; K1915-R1920 VanDerWaalsContact O-NH2 3.08Å; G1916-R1920 WeakPolarHBondContact O-CG 3.46Å; G1916-R1920 PolarHBondContact O-N 2.96Å; G1916-R1920 VanDerWaalsContact O-N 3.13Å; A1917-R1920 WeakPolarHBondContact O-CB 3.43Å; A1917-R1920 PolarHBondContact O-N 3.13Å; A1917-R1920 VanDerWaalsContact O-N 3.16Å; E1918-R1920 VanDerWaalsContact C-N 3.3Å; E1918-R1920 PolarHBondContact O-N 3.09Å; R1920-T1924 WeakPolarHBondContact O-CB 3.34Å; R1920-T1924 PolarHBondContact O-N 2.93Å; R1920-T1924 VanDerWaalsContact O-N 3.07Å; R1920-T1924 PolarHBondContact O-OG1 3.08Å |
| 1921 | Q | 67.4 | Low | 69.3 | Low | 135 Ų | 135 | 77.2 Ų | 77.2 | 63% | 0.631 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -69 | -49.1 | 177.3 | -81.8 | -177.6 | -8.3 | 0 | 0 | 111.1 | S1691 A1917 E1918 I1919 H1923 T1924 A1925 | S1691-Q1921 VanDerWaalsContact CB-OE1 3.24Å; S1691-Q1921 PolarHBondContact OG-NE2 3.42Å; S1691-Q1921 PolarHBondContact OG-OE1 3Å; A1917-Q1921 PolarHBondContact O-N 2.85Å; A1917-Q1921 VanDerWaalsContact O-N 3.14Å; E1918-Q1921 WeakPolarHBondContact O-CB 3.4Å; E1918-Q1921 PolarHBondContact O-N 2.98Å; E1918-Q1921 VanDerWaalsContact O-N 3.14Å; I1919-Q1921 VanDerWaalsContact C-N 3.29Å; I1919-Q1921 PolarHBondContact O-N 3.01Å; Q1921-H1923 VanDerWaalsContact C-N 3.33Å; Q1921-H1923 PolarHBondContact O-N 3.15Å; Q1921-T1924 PolarHBondContact O-N 3.09Å; Q1921-T1924 VanDerWaalsContact O-N 3.13Å; Q1921-A1925 PolarHBondContact O-N 3.17Å |
| 1922 | N | 69.8 | Low | 70.4 | Confident | 81.6 Ų | 81.6 | 73.9 Ų | 73.9 | 44% | 0.436 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 177.4 | -73.7 | -2 | 0 | 0 | 0 | 112.2 | E1918 I1919 T1924 A1925 L1926 | E1918-N1922 PolarHBondContact O-N 3.44Å; E1918-N1922 VanDerWaalsContact O-N 3.1Å; I1919-N1922 PolarHBondContact O-N 3.19Å; N1922-T1924 VanDerWaalsContact C-N 3.34Å; N1922-T1924 PolarHBondContact O-N 2.79Å; N1922-A1925 PolarHBondContact O-N 3.15Å; N1922-L1926 VanDerWaalsContact O-CB 3.3Å; N1922-L1926 WeakPolarHBondContact O-CB 3.4Å; N1922-L1926 PolarHBondContact O-N 3.17Å |
| 1923 | H | 74.8 | Confident | 71.8 | Confident | 20 Ų | 20 | 72.1 Ų | 72.1 | 9% | 0.093 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.9 | -38.3 | 173.9 | -80.7 | -114.8 | 0 | 0 | 0 | 112.4 | R1858 V1909 D1912 I1919 Q1921 L1926 R1927 | R1858-H1923 VanDerWaalsContact CZ-NE2 3.27Å; R1858-H1923 PolarHBondContact NE-NE2 3.16Å; R1858-H1923 PolarHBondContact NH2-CE1 3.09Å; R1858-H1923 PolarHBondContact NH2-NE2 3.18Å; V1909-H1923 HydrophobicContact CG1-CB 4.07Å; V1909-H1923 WeakPolarHBondContact CG1-O 3.36Å; D1912-H1923 VanDerWaalsContact CB-CE1 3.44Å; D1912-H1923 WeakPolarHBondContact CB-CE1 3.38Å; D1912-H1923 IonicContact OD2-CE1 3.19Å; D1912-H1923 PolarHBondContact OD2-CE1 3.09Å; D1912-H1923 IonicContact OD2-NE2 3.06Å; I1919-H1923 VanDerWaalsContact CG2-CD2 3.48Å; I1919-H1923 WeakPolarHBondContact CG2-CD2 3.36Å; I1919-H1923 WeakPolarHBondContact CG2-NE2 3.36Å; I1919-H1923 WeakPolarHBondContact O-CB 3.35Å; I1919-H1923 PolarHBondContact O-CD2 3.24Å; I1919-H1923 PolarHBondContact O-N 3.02Å; I1919-H1923 VanDerWaalsContact O-N 3.09Å; Q1921-H1923 VanDerWaalsContact C-N 3.33Å; Q1921-H1923 PolarHBondContact O-N 3.15Å; H1923-L1926 PolarHBondContact O-N 3.38Å; H1923-R1927 VanDerWaalsContact O-CB 3.22Å; H1923-R1927 WeakPolarHBondContact O-CB 3.42Å; H1923-R1927 PolarHBondContact O-N 3.25Å |
| 1924 | T | 79.9 | Confident | 73.2 | Confident | 76.6 Ų | 76.6 | 65.2 Ų | 65.2 | 47% | 0.47 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.6 | -41.4 | 176 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | R1920 Q1921 N1922 N1928 | R1920-T1924 WeakPolarHBondContact O-CB 3.34Å; R1920-T1924 PolarHBondContact O-N 2.93Å; R1920-T1924 VanDerWaalsContact O-N 3.07Å; R1920-T1924 PolarHBondContact O-OG1 3.08Å; Q1921-T1924 PolarHBondContact O-N 3.09Å; Q1921-T1924 VanDerWaalsContact O-N 3.13Å; N1922-T1924 VanDerWaalsContact C-N 3.34Å; N1922-T1924 PolarHBondContact O-N 2.79Å; T1924-N1928 WeakPolarHBondContact O-CB 3.35Å; T1924-N1928 PolarHBondContact O-N 3.01Å; T1924-N1928 VanDerWaalsContact O-N 3.1Å; T1924-N1928 PolarHBondContact O-ND2 2.9Å; T1924-N1928 PolarHBondContact O-OD1 3.11Å |
| 1925 | A | 84.4 | Confident | 74.6 | Confident | 35.8 Ų | 35.8 | 56.6 Ų | 56.6 | 30% | 0.296 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.3 | -51.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1862 Q1921 N1922 R1927 N1928 V1929 | L1862-A1925 HydrophobicContact CD1-CB 4.06Å; L1862-A1925 HydrophobicContact CD2-CB 4.33Å; Q1921-A1925 PolarHBondContact O-N 3.17Å; N1922-A1925 PolarHBondContact O-N 3.15Å; A1925-R1927 VanDerWaalsContact C-N 3.32Å; A1925-R1927 PolarHBondContact O-N 2.94Å; A1925-N1928 PolarHBondContact O-N 3.14Å; A1925-N1928 VanDerWaalsContact O-N 3.1Å; A1925-V1929 VanDerWaalsContact O-CG2 3.3Å; A1925-V1929 WeakPolarHBondContact O-CG2 3.39Å; A1925-V1929 PolarHBondContact O-N 3.09Å |
| 1926 | L | 86.2 | Confident | 76.3 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.6 | -44.9 | 178.9 | 179.9 | 58.4 | 0 | 0 | 0 | 111.9 | D1861 L1862 M1865 L1905 V1909 N1922 H1923 N1928 V1929 T1930 | D1861-L1926 HydrophobicContact CB-CD1 4.45Å; D1861-L1926 HydrophobicContact CB-CD2 4.35Å; L1862-L1926 HydrophobicContact CB-CD1 4.49Å; L1862-L1926 HydrophobicContact CD1-CB 4.3Å; M1865-L1926 HydrophobicContact CB-CD1 4.1Å; M1865-L1926 HydrophobicContact CG-CD1 3.92Å; L1905-L1926 HydrophobicContact CD1-CD2 4.42Å; L1905-L1926 HydrophobicContact CD2-CD1 4.32Å; V1909-L1926 HydrophobicContact CG2-CD2 3.67Å; V1909-L1926 HydrophobicContact CG2-CG 4.1Å; N1922-L1926 VanDerWaalsContact O-CB 3.3Å; N1922-L1926 WeakPolarHBondContact O-CB 3.4Å; N1922-L1926 PolarHBondContact O-N 3.17Å; H1923-L1926 PolarHBondContact O-N 3.38Å; L1926-N1928 VanDerWaalsContact C-N 3.34Å; L1926-N1928 PolarHBondContact O-N 3.09Å; L1926-V1929 PolarHBondContact O-N 3.18Å; L1926-T1930 VanDerWaalsContact O-CB 3.3Å; L1926-T1930 WeakPolarHBondContact O-CB 3.37Å; L1926-T1930 PolarHBondContact O-N 3.14Å; L1926-T1930 PolarHBondContact O-OG1 3.23Å |
| 1927 | R | 82.5 | Confident | 77.9 | Confident | 41.8 Ų | 41.8 | 49.8 Ų | 49.8 | 16% | 0.158 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.1 | -50.9 | 173.6 | -175.9 | -169.4 | 168.2 | -85.5 | -2.8 | 111.5 | L1906 V1909 H1923 A1925 V1929 T1930 V1931 E1957 Q1959 S1960 E1966 | L1906-R1927 HydrophobicContact CD2-CB 4.47Å; L1906-R1927 HydrophobicContact CD2-CG 3.9Å; V1909-R1927 HydrophobicContact CG1-CB 4.07Å; V1909-R1927 HydrophobicContact CG1-CG 4.28Å; H1923-R1927 VanDerWaalsContact O-CB 3.22Å; H1923-R1927 WeakPolarHBondContact O-CB 3.42Å; H1923-R1927 PolarHBondContact O-N 3.25Å; A1925-R1927 VanDerWaalsContact C-N 3.32Å; A1925-R1927 PolarHBondContact O-N 2.94Å; R1927-V1929 VanDerWaalsContact C-N 3.32Å; R1927-V1929 PolarHBondContact O-N 3.21Å; R1927-T1930 PolarHBondContact O-N 3.19Å; R1927-T1930 VanDerWaalsContact O-N 3.16Å; R1927-V1931 HydrophobicContact CG-CG2 4.45Å; R1927-V1931 WeakPolarHBondContact O-CB 3.45Å; R1927-V1931 VanDerWaalsContact O-CG2 3.29Å; R1927-V1931 WeakPolarHBondContact O-CG2 3.38Å; R1927-V1931 PolarHBondContact O-N 3.25Å; R1927-E1957 IonicContact CZ-OE1 3.41Å; R1927-E1957 IonicContact CZ-OE2 3.04Å; R1927-E1957 IonicContact NE-OE1 3.16Å; R1927-E1957 PolarHBondContact NE-OE1 3.5Å; R1927-E1957 VanDerWaalsContact NE-OE1 3.11Å; R1927-E1957 IonicContact NE-OE2 3.25Å; R1927-E1957 PolarHBondContact NE-OE2 3.14Å; R1927-E1957 IonicContact NH2-OE1 3.02Å; R1927-E1957 PolarHBondContact NH2-OE1 3.04Å; R1927-E1957 IonicContact NH2-OE2 2.68Å; R1927-E1957 PolarHBondContact NH2-OE2 3.2Å; R1927-Q1959 VanDerWaalsContact NE-NE2 3.13Å; R1927-Q1959 PolarHBondContact NH2-O 2.83Å; R1927-S1960 VanDerWaalsContact NH2-N 3.12Å; R1927-S1960 PolarHBondContact NH2-OG 2.92Å; R1927-S1960 VanDerWaalsContact NH2-OG 3.15Å; R1927-E1966 IonicContact CZ-OE2 3.56Å; R1927-E1966 IonicContact NH1-OE2 2.75Å; R1927-E1966 PolarHBondContact NH1-OE2 3.24Å; R1927-E1966 VanDerWaalsContact NH1-OE2 3.13Å; R1927-E1966 IonicContact NH2-OE2 3.06Å; R1927-E1966 PolarHBondContact NH2-OE2 3.22Å; R1927-E1966 VanDerWaalsContact NH2-OE2 3.08Å |
| 1928 | N | 84.4 | Confident | 79.2 | Confident | 77.4 Ų | 77.4 | 46.3 Ų | 46.3 | 41% | 0.414 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.6 | -38.4 | -175.3 | -68 | -11.1 | 0 | 0 | 0 | 112 | T1924 A1925 L1926 V1931 Q1932 | T1924-N1928 WeakPolarHBondContact O-CB 3.35Å; T1924-N1928 PolarHBondContact O-N 3.01Å; T1924-N1928 VanDerWaalsContact O-N 3.1Å; T1924-N1928 PolarHBondContact O-ND2 2.9Å; T1924-N1928 PolarHBondContact O-OD1 3.11Å; A1925-N1928 PolarHBondContact O-N 3.14Å; A1925-N1928 VanDerWaalsContact O-N 3.1Å; L1926-N1928 VanDerWaalsContact C-N 3.34Å; L1926-N1928 PolarHBondContact O-N 3.09Å; N1928-V1931 WeakPolarHBondContact O-CB 3.49Å; N1928-V1931 PolarHBondContact O-N 2.65Å; N1928-Q1932 WeakPolarHBondContact O-CB 3.4Å; N1928-Q1932 PolarHBondContact O-N 3.07Å |
| 1929 | V | 88.3 | Confident | 80.4 | Confident | 27 Ų | 27 | 41 Ų | 41 | 16% | 0.164 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.4 | -40.5 | 175.2 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | L1862 M1865 E1866 A1869 A1925 L1926 R1927 Q1932 A1933 | L1862-V1929 HydrophobicContact CD1-CG2 4.27Å; M1865-V1929 HydrophobicContact CB-CG1 3.86Å; M1865-V1929 VanDerWaalsContact O-CG1 3.29Å; M1865-V1929 WeakPolarHBondContact O-CG1 3.33Å; E1866-V1929 HydrophobicContact CB-CG1 4.34Å; E1866-V1929 HydrophobicContact CG-CB 4.45Å; E1866-V1929 HydrophobicContact CG-CG1 3.9Å; E1866-V1929 HydrophobicContact CG-CG2 3.97Å; A1869-V1929 HydrophobicContact CB-CG1 4.17Å; A1925-V1929 VanDerWaalsContact O-CG2 3.3Å; A1925-V1929 WeakPolarHBondContact O-CG2 3.39Å; A1925-V1929 PolarHBondContact O-N 3.09Å; L1926-V1929 PolarHBondContact O-N 3.18Å; R1927-V1929 VanDerWaalsContact C-N 3.32Å; R1927-V1929 PolarHBondContact O-N 3.21Å; V1929-Q1932 CarbonylContact O-C 3.56Å; V1929-Q1932 WeakPolarHBondContact O-CB 3.27Å; V1929-Q1932 PolarHBondContact O-N 3.18Å; V1929-Q1932 VanDerWaalsContact O-N 3.12Å; V1929-A1933 PolarHBondContact O-N 3.11Å |
| 1930 | T | 87.3 | Confident | 81.4 | Confident | 0.6 Ų | 0.6 | 39 Ų | 39 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.6 | -41.6 | 175.5 | -58.3 | 0 | 0 | 0 | 0 | 112 | M1865 F1902 L1905 L1906 L1926 R1927 Q1932 A1933 M1934 | M1865-T1930 HydrophobicContact CE-CG2 4Å; F1902-T1930 HydrophobicContact CB-CG2 3.9Å; F1902-T1930 HydrophobicContact CD1-CG2 4.48Å; F1902-T1930 HydrophobicContact CG-CG2 4.48Å; L1905-T1930 HydrophobicContact CD2-CG2 4.29Å; L1906-T1930 HydrophobicContact CD1-CG2 4.34Å; L1906-T1930 HydrophobicContact CD2-CG2 3.92Å; L1906-T1930 HydrophobicContact CG-CG2 3.77Å; L1926-T1930 VanDerWaalsContact O-CB 3.3Å; L1926-T1930 WeakPolarHBondContact O-CB 3.37Å; L1926-T1930 PolarHBondContact O-N 3.14Å; L1926-T1930 PolarHBondContact O-OG1 3.23Å; R1927-T1930 PolarHBondContact O-N 3.19Å; R1927-T1930 VanDerWaalsContact O-N 3.16Å; T1930-Q1932 VanDerWaalsContact C-N 3.31Å; T1930-Q1932 PolarHBondContact O-N 3.08Å; T1930-A1933 WeakPolarHBondContact O-CB 3.37Å; T1930-A1933 PolarHBondContact O-N 3.33Å; T1930-M1934 WeakPolarHBondContact O-CG 3.38Å; T1930-M1934 PolarHBondContact O-N 3.16Å |
| 1931 | V | 82.5 | Confident | 82.4 | Confident | 11.2 Ų | 11.2 | 33 Ų | 33 | 7% | 0.068 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.3 | -39.8 | 171.3 | 167.9 | 0 | 0 | 0 | 0 | 111.5 | L1906 R1927 N1928 A1933 M1934 S1935 A1963 E1966 V1967 | L1906-V1931 HydrophobicContact CD1-CG2 4.35Å; L1906-V1931 HydrophobicContact CD2-CG2 4.23Å; R1927-V1931 HydrophobicContact CG-CG2 4.45Å; R1927-V1931 WeakPolarHBondContact O-CB 3.45Å; R1927-V1931 VanDerWaalsContact O-CG2 3.29Å; R1927-V1931 WeakPolarHBondContact O-CG2 3.38Å; R1927-V1931 PolarHBondContact O-N 3.25Å; N1928-V1931 WeakPolarHBondContact O-CB 3.49Å; N1928-V1931 PolarHBondContact O-N 2.65Å; V1931-A1933 VanDerWaalsContact C-N 3.34Å; V1931-A1933 PolarHBondContact O-N 3.3Å; V1931-M1934 PolarHBondContact O-N 3.03Å; V1931-S1935 WeakPolarHBondContact O-CB 3.21Å; V1931-S1935 PolarHBondContact O-N 3.35Å; V1931-A1963 HydrophobicContact CB-CB 4.24Å; V1931-A1963 HydrophobicContact CG1-CB 3.39Å; V1931-A1963 HydrophobicContact CG2-CB 3.95Å; V1931-E1966 HydrophobicContact CG1-CB 4.47Å; V1931-E1966 HydrophobicContact CG1-CG 4.38Å; V1931-E1966 WeakPolarHBondContact CG1-OE1 3.28Å; V1931-V1967 HydrophobicContact CG1-CG2 3.88Å |
| 1932 | Q | 84.7 | Confident | 83 | Confident | 72 Ų | 72 | 28.9 Ų | 28.9 | 34% | 0.336 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -68.6 | -36.1 | 175.7 | -170.1 | 58.3 | 53.5 | 0 | 0 | 112.7 | N1928 V1929 T1930 S1935 N1936 | N1928-Q1932 WeakPolarHBondContact O-CB 3.4Å; N1928-Q1932 PolarHBondContact O-N 3.07Å; V1929-Q1932 CarbonylContact O-C 3.56Å; V1929-Q1932 WeakPolarHBondContact O-CB 3.27Å; V1929-Q1932 PolarHBondContact O-N 3.18Å; V1929-Q1932 VanDerWaalsContact O-N 3.12Å; T1930-Q1932 VanDerWaalsContact C-N 3.31Å; T1930-Q1932 PolarHBondContact O-N 3.08Å; Q1932-S1935 WeakPolarHBondContact O-CB 2.84Å; Q1932-S1935 PolarHBondContact O-N 3.08Å; Q1932-N1936 PolarHBondContact NE2-OD1 2.97Å; Q1932-N1936 VanDerWaalsContact NE2-OD1 3.1Å; Q1932-N1936 WeakPolarHBondContact O-CB 3.4Å; Q1932-N1936 VanDerWaalsContact O-CG 3.28Å; Q1932-N1936 PolarHBondContact O-N 3.21Å; Q1932-N1936 PolarHBondContact O-ND2 3.26Å; Q1932-N1936 PolarHBondContact O-OD1 3.25Å |
| 1933 | A | 88.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.6 | -45.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | M1865 A1869 L1872 F1902 V1929 T1930 V1931 S1935 N1936 L1937 | M1865-A1933 HydrophobicContact CE-CB 3.6Å; A1869-A1933 HydrophobicContact CB-CB 4.05Å; L1872-A1933 HydrophobicContact CD1-CB 4.12Å; F1902-A1933 HydrophobicContact CE2-CB 4.42Å; F1902-A1933 HydrophobicContact CZ-CB 4.48Å; V1929-A1933 PolarHBondContact O-N 3.11Å; T1930-A1933 WeakPolarHBondContact O-CB 3.37Å; T1930-A1933 PolarHBondContact O-N 3.33Å; V1931-A1933 VanDerWaalsContact C-N 3.34Å; V1931-A1933 PolarHBondContact O-N 3.3Å; A1933-S1935 VanDerWaalsContact C-N 3.34Å; A1933-S1935 PolarHBondContact O-N 2.95Å; A1933-N1936 PolarHBondContact O-N 3.22Å; A1933-L1937 WeakPolarHBondContact O-CB 3.39Å; A1933-L1937 PolarHBondContact O-N 3.17Å |
| 1934 | M | 85.2 | Confident | 83.5 | Confident | 10.6 Ų | 10.6 | 29.3 Ų | 29.3 | 5% | 0.052 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.2 | -40.2 | 174 | -69 | 178.1 | 76.7 | 0 | 0 | 112.4 | F1899 F1902 M1903 L1906 T1930 V1931 L1937 L1938 L1952 V1967 | F1899-M1934 HydrophobicContact CD2-CE 3.88Å; F1899-M1934 HydrophobicContact CE1-CE 4.41Å; F1899-M1934 HydrophobicContact CE2-CE 3.42Å; F1899-M1934 VanDerWaalsContact CE2-CE 3.43Å; F1899-M1934 HydrophobicContact CZ-CE 3.76Å; F1902-M1934 HydrophobicContact CB-CG 3.69Å; F1902-M1934 HydrophobicContact CB-SD 3.97Å; F1902-M1934 HydrophobicContact CD2-CG 3.85Å; F1902-M1934 HydrophobicContact CG-CG 4.17Å; M1903-M1934 HydrophobicContact CG-CE 3.99Å; M1903-M1934 HydrophobicContact SD-CE 3.68Å; M1903-M1934 VanDerWaalsContact SD-CE 3.59Å; M1903-M1934 HydrophobicContact SD-SD 4.41Å; L1906-M1934 HydrophobicContact CD1-SD 3.59Å; L1906-M1934 VanDerWaalsContact CD1-SD 3.56Å; T1930-M1934 WeakPolarHBondContact O-CG 3.38Å; T1930-M1934 PolarHBondContact O-N 3.16Å; V1931-M1934 PolarHBondContact O-N 3.03Å; M1934-L1937 PolarHBondContact O-N 3.01Å; M1934-L1938 WeakPolarHBondContact O-CB 3.33Å; M1934-L1938 PolarHBondContact O-N 3.08Å; M1934-L1952 HydrophobicContact CE-CD1 4.12Å; M1934-V1967 HydrophobicContact CB-CG2 4.22Å |
| 1935 | S | 81.9 | Confident | 83.5 | Confident | 3.6 Ų | 3.6 | 25.7 Ų | 25.7 | 3% | 0.025 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.2 | -47.9 | 173.9 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | V1931 Q1932 A1933 L1937 L1938 N1939 V1967 Q1974 | V1931-S1935 WeakPolarHBondContact O-CB 3.21Å; V1931-S1935 PolarHBondContact O-N 3.35Å; Q1932-S1935 WeakPolarHBondContact O-CB 2.84Å; Q1932-S1935 PolarHBondContact O-N 3.08Å; A1933-S1935 VanDerWaalsContact C-N 3.34Å; A1933-S1935 PolarHBondContact O-N 2.95Å; S1935-L1937 VanDerWaalsContact C-N 3.35Å; S1935-L1937 PolarHBondContact O-N 3.1Å; S1935-L1938 PolarHBondContact O-N 3.27Å; S1935-N1939 VanDerWaalsContact O-CB 3.29Å; S1935-N1939 WeakPolarHBondContact O-CB 3.39Å; S1935-N1939 PolarHBondContact O-N 3.35Å; S1935-N1939 PolarHBondContact O-ND2 3.35Å; S1935-N1939 VanDerWaalsContact O-ND2 3.13Å; S1935-N1939 PolarHBondContact O-OD1 2.94Å; S1935-N1939 PolarHBondContact OG-ND2 3.13Å; S1935-V1967 WeakPolarHBondContact OG-CG2 3.13Å; S1935-Q1974 PolarHBondContact OG-NE2 3.03Å |
| 1936 | N | 86.1 | Confident | 83.3 | Confident | 9.6 Ų | 9.6 | 26.2 Ų | 26.2 | 5% | 0.051 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.9 | -41.4 | 178.2 | -73.2 | -7.7 | 0 | 0 | 0 | 112 | A1869 L1872 H1873 Q1932 A1933 A1940 | A1869-N1936 PolarHBondContact O-ND2 3.03Å; L1872-N1936 HydrophobicContact CB-CB 3.91Å; H1873-N1936 HydrophobicContact CB-CB 4.47Å; H1873-N1936 PolarHBondContact ND1-OD1 3.2Å; Q1932-N1936 PolarHBondContact NE2-OD1 2.97Å; Q1932-N1936 VanDerWaalsContact NE2-OD1 3.1Å; Q1932-N1936 WeakPolarHBondContact O-CB 3.4Å; Q1932-N1936 VanDerWaalsContact O-CG 3.28Å; Q1932-N1936 PolarHBondContact O-N 3.21Å; Q1932-N1936 PolarHBondContact O-ND2 3.26Å; Q1932-N1936 PolarHBondContact O-OD1 3.25Å; A1933-N1936 PolarHBondContact O-N 3.22Å; N1936-A1940 PolarHBondContact O-N 3.08Å |
| 1937 | L | 87.8 | Confident | 83.1 | Confident | 0.2 Ų | 0.2 | 29.8 Ų | 29.8 | 0% | 0.001 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.3 | -48.3 | 176.6 | -175.4 | 70.6 | 0 | 0 | 0 | 111.9 | L1872 L1877 F1895 Y1898 F1899 F1902 A1933 M1934 S1935 A1940 N1941 | L1872-L1937 HydrophobicContact CD1-CB 4.31Å; L1872-L1937 HydrophobicContact CD1-CD1 4.48Å; L1872-L1937 HydrophobicContact CD2-CB 4.17Å; L1872-L1937 HydrophobicContact CD2-CD1 3.77Å; L1877-L1937 HydrophobicContact CD1-CD1 4.25Å; L1877-L1937 HydrophobicContact CD2-CD1 4.15Å; L1877-L1937 HydrophobicContact CG-CD1 4.37Å; F1895-L1937 HydrophobicContact CD2-CD1 4.4Å; F1895-L1937 HydrophobicContact CD2-CD2 4.01Å; F1895-L1937 HydrophobicContact CD2-CG 3.92Å; F1895-L1937 HydrophobicContact CE2-CD1 4.47Å; F1895-L1937 HydrophobicContact CE2-CD2 3.79Å; F1895-L1937 HydrophobicContact CE2-CG 3.67Å; F1895-L1937 HydrophobicContact CZ-CD2 4.21Å; F1895-L1937 HydrophobicContact CZ-CG 4.42Å; Y1898-L1937 HydrophobicContact CD2-CD1 4.46Å; F1899-L1937 HydrophobicContact CD2-CD2 4.43Å; F1902-L1937 HydrophobicContact CD2-CD2 4.46Å; F1902-L1937 HydrophobicContact CE2-CD2 4.19Å; A1933-L1937 WeakPolarHBondContact O-CB 3.39Å; A1933-L1937 PolarHBondContact O-N 3.17Å; M1934-L1937 PolarHBondContact O-N 3.01Å; S1935-L1937 VanDerWaalsContact C-N 3.35Å; S1935-L1937 PolarHBondContact O-N 3.1Å; L1937-A1940 PolarHBondContact O-N 3.44Å; L1937-N1941 WeakPolarHBondContact O-CB 3.4Å; L1937-N1941 PolarHBondContact O-N 3.17Å; L1937-N1941 PolarHBondContact O-ND2 3.01Å |
| 1938 | L | 84.2 | Confident | 83 | Confident | 4.4 Ų | 4.4 | 31 Ų | 31 | 2% | 0.023 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70 | -45 | -177.6 | -134.6 | 152.3 | 0 | 0 | 0 | 112.1 | F1895 F1899 M1934 S1935 A1940 N1941 I1942 A1949 F1964 V1967 I1971 | F1895-L1938 HydrophobicContact CE2-CB 4.38Å; F1895-L1938 HydrophobicContact CE2-CD1 4.12Å; F1895-L1938 HydrophobicContact CE2-CD2 3.88Å; F1895-L1938 HydrophobicContact CE2-CG 4.02Å; F1895-L1938 HydrophobicContact CZ-CB 4.4Å; F1895-L1938 HydrophobicContact CZ-CD1 3.71Å; F1895-L1938 HydrophobicContact CZ-CD2 3.56Å; F1895-L1938 HydrophobicContact CZ-CG 4.04Å; F1899-L1938 HydrophobicContact CE2-CD1 4.13Å; M1934-L1938 WeakPolarHBondContact O-CB 3.33Å; M1934-L1938 PolarHBondContact O-N 3.08Å; S1935-L1938 PolarHBondContact O-N 3.27Å; L1938-A1940 VanDerWaalsContact C-N 3.34Å; L1938-A1940 PolarHBondContact O-N 3.06Å; L1938-A1940 VanDerWaalsContact O-N 3.15Å; L1938-N1941 CarbonylContact O-C 3.56Å; L1938-N1941 PolarHBondContact O-N 3.04Å; L1938-N1941 VanDerWaalsContact O-N 3.08Å; L1938-I1942 HydrophobicContact CD2-CB 4.3Å; L1938-I1942 HydrophobicContact CD2-CD1 4.17Å; L1938-I1942 HydrophobicContact CD2-CG1 4.03Å; L1938-I1942 WeakPolarHBondContact O-CA 3.43Å; L1938-I1942 VanDerWaalsContact O-CG1 3.25Å; L1938-I1942 WeakPolarHBondContact O-CG1 3.32Å; L1938-I1942 PolarHBondContact O-N 3.23Å; L1938-I1942 VanDerWaalsContact O-N 3.13Å; L1938-A1949 HydrophobicContact CD1-CB 3.78Å; L1938-A1949 VanDerWaalsContact CD1-CB 3.48Å; L1938-A1949 HydrophobicContact CD2-CB 3.88Å; L1938-A1949 HydrophobicContact CG-CB 4.42Å; L1938-F1964 HydrophobicContact CD1-CD2 4.14Å; L1938-F1964 HydrophobicContact CD1-CE2 4.19Å; L1938-F1964 HydrophobicContact CD2-CD2 4.46Å; L1938-F1964 HydrophobicContact CD2-CE2 3.99Å; L1938-V1967 HydrophobicContact CB-CG1 4.17Å; L1938-V1967 HydrophobicContact CD1-CG1 3.92Å; L1938-V1967 HydrophobicContact CD2-CG1 3.95Å; L1938-V1967 HydrophobicContact CG-CG1 4.36Å; L1938-I1971 HydrophobicContact CB-CD1 3.81Å; L1938-I1971 HydrophobicContact CD1-CD1 4.11Å; L1938-I1971 HydrophobicContact CD2-CD1 3.75Å; L1938-I1971 VanDerWaalsContact CD2-CD1 3.49Å; L1938-I1971 HydrophobicContact CG-CD1 3.92Å |
| 1939 | N | 80.3 | Confident | 82.9 | Confident | 40.6 Ų | 40.6 | 27.3 Ų | 27.3 | 22% | 0.217 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -53.1 | -42.1 | 177.1 | -91.6 | -33.2 | 0 | 0 | 0 | 112 | S1935 N1941 V1967 I1971 Q1974 T1976 | S1935-N1939 VanDerWaalsContact O-CB 3.29Å; S1935-N1939 WeakPolarHBondContact O-CB 3.39Å; S1935-N1939 PolarHBondContact O-N 3.35Å; S1935-N1939 PolarHBondContact O-ND2 3.35Å; S1935-N1939 VanDerWaalsContact O-ND2 3.13Å; S1935-N1939 PolarHBondContact O-OD1 2.94Å; S1935-N1939 PolarHBondContact OG-ND2 3.13Å; N1939-N1941 PolarHBondContact O-N 2.96Å; N1939-V1967 VanDerWaalsContact OD1-CG1 3.25Å; N1939-V1967 WeakPolarHBondContact OD1-CG1 3.48Å; N1939-I1971 WeakPolarHBondContact ND2-CG1 3.45Å; N1939-I1971 WeakPolarHBondContact OD1-CA 3.28Å; N1939-I1971 WeakPolarHBondContact OD1-CD1 3.29Å; N1939-I1971 VanDerWaalsContact OD1-CG1 3.31Å; N1939-I1971 WeakPolarHBondContact OD1-CG1 3.38Å; N1939-Q1974 PolarHBondContact ND2-NE2 3.27Å; N1939-Q1974 VanDerWaalsContact ND2-NE2 3.16Å; N1939-Q1974 PolarHBondContact ND2-OE1 3.22Å; N1939-T1976 HydrophobicContact CB-CG2 4.29Å; N1939-T1976 WeakPolarHBondContact OD1-CG2 3.3Å |
| 1940 | A | 81 | Confident | 82.6 | Confident | 28.2 Ų | 28.2 | 29.3 Ų | 29.3 | 23% | 0.233 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -6.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | M1875 N1936 L1937 L1938 | M1875-A1940 VanDerWaalsContact O-CB 3.3Å; M1875-A1940 WeakPolarHBondContact O-CB 3.41Å; N1936-A1940 PolarHBondContact O-N 3.08Å; L1937-A1940 PolarHBondContact O-N 3.44Å; L1938-A1940 VanDerWaalsContact C-N 3.34Å; L1938-A1940 PolarHBondContact O-N 3.06Å; L1938-A1940 VanDerWaalsContact O-N 3.15Å |
| 1941 | N | 82.3 | Confident | 82.3 | Confident | 10.8 Ų | 10.8 | 31.4 Ų | 31.4 | 6% | 0.058 | 18% | 0.176 | C | C | . | . | trans | -143.2 | 32.2 | -169.7 | -61.1 | -83.2 | 0 | 0 | 0 | 113.5 | M1875 P1876 L1877 K1891 F1895 L1937 L1938 N1939 E1943 S1944 G1945 | M1875-N1941 PolarHBondContact O-ND2 3.32Å; M1875-N1941 VanDerWaalsContact O-ND2 3.11Å; P1876-N1941 WeakPolarHBondContact CA-OD1 3.36Å; L1877-N1941 WeakPolarHBondContact CB-OD1 3.29Å; L1877-N1941 WeakPolarHBondContact CG-OD1 3.37Å; L1877-N1941 PolarHBondContact N-OD1 3.18Å; K1891-N1941 WeakPolarHBondContact CE-OD1 3.3Å; F1895-N1941 HydrophobicContact CD2-CB 4.14Å; F1895-N1941 HydrophobicContact CE2-CB 4.18Å; L1937-N1941 WeakPolarHBondContact O-CB 3.4Å; L1937-N1941 PolarHBondContact O-N 3.17Å; L1937-N1941 PolarHBondContact O-ND2 3.01Å; L1938-N1941 CarbonylContact O-C 3.56Å; L1938-N1941 PolarHBondContact O-N 3.04Å; L1938-N1941 VanDerWaalsContact O-N 3.08Å; N1939-N1941 PolarHBondContact O-N 2.96Å; N1941-E1943 VanDerWaalsContact C-N 3.31Å; N1941-E1943 PolarHBondContact O-N 3.07Å; N1941-E1943 VanDerWaalsContact O-N 3.14Å; N1941-S1944 PolarHBondContact O-N 3.16Å; N1941-S1944 PolarHBondContact O-OG 3.18Å; N1941-S1944 VanDerWaalsContact O-OG 3.09Å; N1941-G1945 WeakPolarHBondContact O-CA 3.39Å; N1941-G1945 PolarHBondContact O-N 3.26Å | ||
| 1942 | I | 79.8 | Confident | 82.2 | Confident | 48 Ų | 48 | 31.7 Ų | 31.7 | 25% | 0.246 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -53.4 | -43.6 | -170.1 | -96.5 | 168.3 | 0 | 0 | 0 | 113.1 | L1938 S1944 G1945 L1946 I1971 T1976 P2759 | L1938-I1942 HydrophobicContact CD2-CB 4.3Å; L1938-I1942 HydrophobicContact CD2-CD1 4.17Å; L1938-I1942 HydrophobicContact CD2-CG1 4.03Å; L1938-I1942 WeakPolarHBondContact O-CA 3.43Å; L1938-I1942 VanDerWaalsContact O-CG1 3.25Å; L1938-I1942 WeakPolarHBondContact O-CG1 3.32Å; L1938-I1942 PolarHBondContact O-N 3.23Å; L1938-I1942 VanDerWaalsContact O-N 3.13Å; I1942-S1944 VanDerWaalsContact C-N 3.27Å; I1942-S1944 PolarHBondContact O-N 3.19Å; I1942-S1944 VanDerWaalsContact O-N 3.13Å; I1942-G1945 PolarHBondContact O-N 3.14Å; I1942-G1945 VanDerWaalsContact O-N 3.15Å; I1942-L1946 HydrophobicContact CD1-CD1 4.46Å; I1942-L1946 HydrophobicContact CD1-CD2 4.26Å; I1942-L1946 HydrophobicContact CG1-CB 3.88Å; I1942-L1946 HydrophobicContact CG1-CD2 4.26Å; I1942-L1946 HydrophobicContact CG1-CG 4.46Å; I1942-L1946 VanDerWaalsContact O-CB 3.26Å; I1942-L1946 WeakPolarHBondContact O-CB 3.35Å; I1942-L1946 PolarHBondContact O-N 3.08Å; I1942-I1971 HydrophobicContact CD1-CB 4.41Å; I1942-I1971 HydrophobicContact CD1-CD1 3.92Å; I1942-I1971 HydrophobicContact CD1-CG1 4.22Å; I1942-I1971 HydrophobicContact CD1-CG2 3.87Å; I1942-I1971 HydrophobicContact CG1-CD1 4.15Å; I1942-I1971 HydrophobicContact CG1-CG1 4.22Å; I1942-I1971 HydrophobicContact CG1-CG2 4.1Å; I1942-I1971 HydrophobicContact CG2-CG2 4.26Å; I1942-T1976 HydrophobicContact CD1-CG2 3.84Å; I1942-T1976 HydrophobicContact CG2-CG2 4.44Å; I1942-P2759 HydrophobicContact CG2-CG 3.64Å |
| 1943 | E | 76 | Confident | 82.1 | Confident | 105 Ų | 105 | 28.5 Ų | 28.5 | 49% | 0.491 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -56.5 | -41.8 | -179 | -60.8 | 173.1 | 170.8 | 0 | 0 | 113.6 | M1888 K1891 N1941 R2525 | M1888-E1943 HydrophobicContact CE-CB 3.97Å; K1891-E1943 IonicContact NZ-OE2 2.73Å; K1891-E1943 PolarHBondContact NZ-OE2 3.45Å; N1941-E1943 VanDerWaalsContact C-N 3.31Å; N1941-E1943 PolarHBondContact O-N 3.07Å; N1941-E1943 VanDerWaalsContact O-N 3.14Å; E1943-R2525 VanDerWaalsContact CD-NH1 3.35Å; E1943-R2525 IonicContact OE1-CZ 2.99Å; E1943-R2525 VanDerWaalsContact OE1-CZ 3.24Å; E1943-R2525 IonicContact OE1-NH1 3.27Å; E1943-R2525 PolarHBondContact OE1-NH1 3.32Å; E1943-R2525 IonicContact OE1-NH2 3.28Å; E1943-R2525 PolarHBondContact OE1-NH2 3.29Å; E1943-R2525 IonicContact OE2-CZ 3.66Å; E1943-R2525 IonicContact OE2-NH1 3.39Å; E1943-R2525 PolarHBondContact OE2-NH1 2.85Å; E1943-R2525 VanDerWaalsContact OE2-NH1 3.09Å |
| 1944 | S | 79.4 | Confident | 82 | Confident | 6.2 Ų | 6.2 | 35.3 Ų | 35.3 | 4% | 0.043 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -93.4 | -24.2 | 179 | -25.9 | 0 | 0 | 0 | 0 | 112.9 | M1888 K1891 S1892 N1941 I1942 H1948 | M1888-S1944 WeakPolarHBondContact CE-OG 3.41Å; K1891-S1944 WeakPolarHBondContact CB-OG 3.26Å; K1891-S1944 VanDerWaalsContact CE-OG 3.28Å; K1891-S1944 WeakPolarHBondContact CE-OG 3.37Å; S1892-S1944 VanDerWaalsContact OG-CA 3.29Å; S1892-S1944 WeakPolarHBondContact OG-CA 3.43Å; S1892-S1944 VanDerWaalsContact OG-CB 3.27Å; S1892-S1944 WeakPolarHBondContact OG-CB 3.42Å; S1892-S1944 PolarHBondContact OG-O 3.07Å; S1892-S1944 PolarHBondContact OG-OG 2.79Å; N1941-S1944 PolarHBondContact O-N 3.16Å; N1941-S1944 PolarHBondContact O-OG 3.18Å; N1941-S1944 VanDerWaalsContact O-OG 3.09Å; I1942-S1944 VanDerWaalsContact C-N 3.27Å; I1942-S1944 PolarHBondContact O-N 3.19Å; I1942-S1944 VanDerWaalsContact O-N 3.13Å; S1944-H1948 PolarHBondContact O-CD2 3.27Å |
| 1945 | G | 79.5 | Confident | 81.9 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -91.3 | -30.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | F1895 N1941 I1942 V1947 H1948 A1949 | F1895-G1945 VanDerWaalsContact CD1-CA 3.47Å; F1895-G1945 VanDerWaalsContact CE1-CA 3.44Å; F1895-G1945 WeakPolarHBondContact CE1-O 3.42Å; F1895-G1945 VanDerWaalsContact CE2-CA 3.46Å; F1895-G1945 VanDerWaalsContact CZ-CA 3.44Å; N1941-G1945 WeakPolarHBondContact O-CA 3.39Å; N1941-G1945 PolarHBondContact O-N 3.26Å; I1942-G1945 PolarHBondContact O-N 3.14Å; I1942-G1945 VanDerWaalsContact O-N 3.15Å; G1945-V1947 VanDerWaalsContact C-N 3.31Å; G1945-V1947 PolarHBondContact O-N 3.17Å; G1945-H1948 PolarHBondContact O-N 3.14Å; G1945-H1948 VanDerWaalsContact O-N 3.15Å; G1945-A1949 VanDerWaalsContact O-CB 3.32Å; G1945-A1949 WeakPolarHBondContact O-CB 3.36Å; G1945-A1949 PolarHBondContact O-N 3.11Å |
| 1946 | L | 81.7 | Confident | 81.8 | Confident | 46.8 Ų | 46.8 | 49.1 Ų | 49.1 | 25% | 0.245 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.3 | -38.2 | -173.5 | -175 | 59.5 | 0 | 0 | 0 | 112.4 | I1942 H1948 A1949 I1950 L1968 I2757 P2759 V2762 | I1942-L1946 HydrophobicContact CD1-CD1 4.46Å; I1942-L1946 HydrophobicContact CD1-CD2 4.26Å; I1942-L1946 HydrophobicContact CG1-CB 3.88Å; I1942-L1946 HydrophobicContact CG1-CD2 4.26Å; I1942-L1946 HydrophobicContact CG1-CG 4.46Å; I1942-L1946 VanDerWaalsContact O-CB 3.26Å; I1942-L1946 WeakPolarHBondContact O-CB 3.35Å; I1942-L1946 PolarHBondContact O-N 3.08Å; L1946-H1948 VanDerWaalsContact C-N 3.31Å; L1946-H1948 PolarHBondContact O-N 3.05Å; L1946-A1949 PolarHBondContact O-N 3.12Å; L1946-A1949 VanDerWaalsContact O-N 3.12Å; L1946-I1950 HydrophobicContact CD1-CB 4.41Å; L1946-I1950 HydrophobicContact CD1-CD1 4.35Å; L1946-I1950 HydrophobicContact CG-CD1 4.46Å; L1946-I1950 VanDerWaalsContact O-CB 3.27Å; L1946-I1950 WeakPolarHBondContact O-CB 3.39Å; L1946-I1950 VanDerWaalsContact O-CG2 3.3Å; L1946-I1950 WeakPolarHBondContact O-CG2 3.4Å; L1946-I1950 PolarHBondContact O-N 2.87Å; L1946-L1968 HydrophobicContact CD1-CD2 4Å; L1946-I2757 HydrophobicContact CD2-CG2 3.97Å; L1946-I2757 HydrophobicContact CG-CG2 4.44Å; L1946-P2759 HydrophobicContact CD2-CB 4.43Å; L1946-P2759 HydrophobicContact CD2-CG 4.03Å; L1946-V2762 HydrophobicContact CD2-CG2 4.23Å |
| 1947 | V | 81.5 | Confident | 81.4 | Confident | 81.8 Ų | 81.8 | 50.7 Ų | 50.7 | 50% | 0.496 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.1 | -43.2 | 177.8 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | G1945 H2754 A2755 I2757 | G1945-V1947 VanDerWaalsContact C-N 3.31Å; G1945-V1947 PolarHBondContact O-N 3.17Å; V1947-H2754 HydrophobicContact CG1-CB 4.23Å; V1947-A2755 WeakPolarHBondContact CG2-O 3.27Å; V1947-I2757 HydrophobicContact CG2-CB 4.1Å; V1947-I2757 HydrophobicContact CG2-CD1 4.12Å; V1947-I2757 HydrophobicContact CG2-CG1 4.06Å |
| 1948 | H | 80.5 | Confident | 81.1 | Confident | 67.4 Ų | 67.4 | 54.5 Ų | 54.5 | 31% | 0.312 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -79.4 | -32.9 | 179.2 | -61.1 | -65.4 | 0 | 0 | 0 | 112.6 | S1892 F1895 S1944 G1945 L1946 H2754 | S1892-H1948 PolarHBondContact O-NE2 3.06Å; S1892-H1948 PolarHBondContact OG-NE2 3.18Å; F1895-H1948 HydrophobicContact CD1-CB 4.07Å; F1895-H1948 AromaticContact CD1-CD2 3.93Å; F1895-H1948 HydrophobicContact CE1-CB 4.05Å; S1944-H1948 PolarHBondContact O-CD2 3.27Å; G1945-H1948 PolarHBondContact O-N 3.14Å; G1945-H1948 VanDerWaalsContact O-N 3.15Å; L1946-H1948 VanDerWaalsContact C-N 3.31Å; L1946-H1948 PolarHBondContact O-N 3.05Å; H1948-H2754 AromaticContact CE1-CD2 3.47Å; H1948-H2754 PolarHBondContact CE1-CD2 2.92Å; H1948-H2754 VanDerWaalsContact CE1-CD2 3.47Å; H1948-H2754 AromaticContact CE1-NE2 3.46Å; H1948-H2754 PolarHBondContact CE1-NE2 3.47Å; H1948-H2754 AromaticContact NE2-CD2 3.88Å |
| 1949 | A | 81.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -83.3 | -29.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F1899 L1938 G1945 L1946 G1951 L1952 F1964 | F1899-A1949 HydrophobicContact CE1-CB 4.26Å; F1899-A1949 HydrophobicContact CE2-CB 3.86Å; F1899-A1949 HydrophobicContact CZ-CB 3.62Å; F1899-A1949 VanDerWaalsContact CZ-CB 3.49Å; L1938-A1949 HydrophobicContact CD1-CB 3.78Å; L1938-A1949 VanDerWaalsContact CD1-CB 3.48Å; L1938-A1949 HydrophobicContact CD2-CB 3.88Å; L1938-A1949 HydrophobicContact CG-CB 4.42Å; G1945-A1949 VanDerWaalsContact O-CB 3.32Å; G1945-A1949 WeakPolarHBondContact O-CB 3.36Å; G1945-A1949 PolarHBondContact O-N 3.11Å; L1946-A1949 PolarHBondContact O-N 3.12Å; L1946-A1949 VanDerWaalsContact O-N 3.12Å; A1949-G1951 PolarHBondContact O-N 3.09Å; A1949-G1951 VanDerWaalsContact O-N 3.1Å; A1949-L1952 VanDerWaalsContact O-CB 3.28Å; A1949-L1952 WeakPolarHBondContact O-CB 3.32Å; A1949-L1952 WeakPolarHBondContact O-CG 3.33Å; A1949-L1952 PolarHBondContact O-N 3.05Å; A1949-F1964 HydrophobicContact CB-CD2 4.48Å; A1949-F1964 HydrophobicContact CB-CE2 3.85Å; A1949-F1964 HydrophobicContact CB-CZ 4.41Å; A1949-F1964 VanDerWaalsContact O-CE2 3.29Å; A1949-F1964 WeakPolarHBondContact O-CE2 3.34Å; A1949-F1964 VanDerWaalsContact O-CZ 3.3Å; A1949-F1964 WeakPolarHBondContact O-CZ 3.27Å |
| 1950 | I | 82.4 | Confident | 80.4 | Confident | 68.4 Ų | 68.4 | 55.4 Ų | 55.4 | 35% | 0.351 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -59 | -29 | -171.9 | -160.6 | 163.4 | 0 | 0 | 0 | 113.8 | L1946 L1952 G1953 V2762 T2765 I2769 | L1946-I1950 HydrophobicContact CD1-CB 4.41Å; L1946-I1950 HydrophobicContact CD1-CD1 4.35Å; L1946-I1950 HydrophobicContact CG-CD1 4.46Å; L1946-I1950 VanDerWaalsContact O-CB 3.27Å; L1946-I1950 WeakPolarHBondContact O-CB 3.39Å; L1946-I1950 VanDerWaalsContact O-CG2 3.3Å; L1946-I1950 WeakPolarHBondContact O-CG2 3.4Å; L1946-I1950 PolarHBondContact O-N 2.87Å; I1950-L1952 PolarHBondContact O-N 3.1Å; I1950-L1952 VanDerWaalsContact O-N 3.16Å; I1950-G1953 PolarHBondContact O-N 3.14Å; I1950-G1953 VanDerWaalsContact O-N 3.15Å; I1950-V2762 HydrophobicContact CD1-CG2 4.29Å; I1950-T2765 HydrophobicContact CD1-CG2 3.44Å; I1950-T2765 VanDerWaalsContact CD1-CG2 3.44Å; I1950-T2765 HydrophobicContact CG1-CG2 3.76Å; I1950-I2769 HydrophobicContact CG1-CD1 3.91Å |
| 1951 | G | 81.1 | Confident | 80.6 | Confident | 43.8 Ų | 43.8 | 58.2 Ų | 58.2 | 45% | 0.452 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -60.7 | -24.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A1949 G1953 Y1954 H1955 | A1949-G1951 PolarHBondContact O-N 3.09Å; A1949-G1951 VanDerWaalsContact O-N 3.1Å; G1951-G1953 PolarHBondContact O-N 3.24Å; G1951-Y1954 PolarHBondContact O-N 3.04Å; G1951-Y1954 VanDerWaalsContact O-N 3.11Å; G1951-H1955 PolarHBondContact O-N 2.78Å |
| 1952 | L | 81.1 | Confident | 80.6 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 9% | 0.094 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -65.6 | -22 | 178.1 | -73.5 | 177.4 | 0 | 0 | 0 | 113.5 | F1899 M1903 M1934 A1949 I1950 Y1954 H1955 R1961 F1964 | F1899-L1952 HydrophobicContact CE1-CD1 3.66Å; F1899-L1952 HydrophobicContact CE1-CG 4.05Å; F1899-L1952 HydrophobicContact CE2-CD1 4.28Å; F1899-L1952 HydrophobicContact CZ-CD1 3.45Å; F1899-L1952 VanDerWaalsContact CZ-CD1 3.43Å; F1899-L1952 HydrophobicContact CZ-CD2 4.38Å; F1899-L1952 HydrophobicContact CZ-CG 4.03Å; M1903-L1952 HydrophobicContact CE-CD1 4.28Å; M1903-L1952 HydrophobicContact CE-CD2 4.08Å; M1903-L1952 HydrophobicContact CG-CD1 4.21Å; M1903-L1952 HydrophobicContact SD-CD1 3.57Å; M1903-L1952 VanDerWaalsContact SD-CD1 3.56Å; M1903-L1952 WeakPolarHBondContact SD-CD1 3.29Å; M1903-L1952 HydrophobicContact SD-CD2 4Å; M1903-L1952 HydrophobicContact SD-CG 4.29Å; M1934-L1952 HydrophobicContact CE-CD1 4.12Å; A1949-L1952 VanDerWaalsContact O-CB 3.28Å; A1949-L1952 WeakPolarHBondContact O-CB 3.32Å; A1949-L1952 WeakPolarHBondContact O-CG 3.33Å; A1949-L1952 PolarHBondContact O-N 3.05Å; I1950-L1952 PolarHBondContact O-N 3.1Å; I1950-L1952 VanDerWaalsContact O-N 3.16Å; L1952-Y1954 PolarHBondContact O-N 3.08Å; L1952-Y1954 VanDerWaalsContact O-N 3.13Å; L1952-H1955 HydrophobicContact CD2-CB 4.33Å; L1952-H1955 WeakPolarHBondContact O-CB 3.44Å; L1952-H1955 PolarHBondContact O-N 3.06Å; L1952-H1955 VanDerWaalsContact O-N 3.13Å; L1952-R1961 WeakPolarHBondContact O-CG 3.38Å; L1952-F1964 HydrophobicContact CB-CB 3.83Å; L1952-F1964 HydrophobicContact CB-CD1 3.93Å; L1952-F1964 HydrophobicContact CB-CD2 4.02Å; L1952-F1964 HydrophobicContact CB-CE1 4.23Å; L1952-F1964 HydrophobicContact CB-CE2 4.24Å; L1952-F1964 HydrophobicContact CB-CG 3.65Å; L1952-F1964 VanDerWaalsContact CB-CG 3.5Å; L1952-F1964 HydrophobicContact CB-CZ 4.43Å; L1952-F1964 HydrophobicContact CD1-CB 4.29Å; L1952-F1964 HydrophobicContact CD1-CD2 4.22Å; L1952-F1964 HydrophobicContact CD1-CE2 4.35Å; L1952-F1964 HydrophobicContact CD1-CG 4.3Å; L1952-F1964 HydrophobicContact CG-CD2 4.37Å; L1952-F1964 HydrophobicContact CG-CG 4.47Å |
| 1953 | G | 82.8 | Confident | 80.2 | Confident | 5.6 Ų | 5.6 | 57.5 Ų | 57.5 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -59.1 | -21.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I1950 G1951 R1961 F1964 N2773 | I1950-G1953 PolarHBondContact O-N 3.14Å; I1950-G1953 VanDerWaalsContact O-N 3.15Å; G1951-G1953 PolarHBondContact O-N 3.24Å; G1953-R1961 WeakPolarHBondContact O-CD 3.3Å; G1953-R1961 PolarHBondContact O-NE 3.22Å; G1953-R1961 VanDerWaalsContact O-NE 3.1Å; G1953-F1964 VanDerWaalsContact N-CD1 3.29Å; G1953-N2773 PolarHBondContact O-ND2 3.08Å; G1953-N2773 VanDerWaalsContact O-ND2 3.09Å |
| 1954 | Y | 86.7 | Confident | 80.5 | Confident | 142.6 Ų | 142.6 | 53 Ų | 53 | 56% | 0.559 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -114.1 | 12.9 | -179.3 | -52.3 | -79.8 | 0 | 0 | 0 | 113.2 | G1951 L1952 N2768 I2769 L2772 | G1951-Y1954 PolarHBondContact O-N 3.04Å; G1951-Y1954 VanDerWaalsContact O-N 3.11Å; L1952-Y1954 PolarHBondContact O-N 3.08Å; L1952-Y1954 VanDerWaalsContact O-N 3.13Å; Y1954-N2768 PolarHBondContact OH-ND2 3.18Å; Y1954-I2769 HydrophobicContact CE2-CD1 4.27Å; Y1954-I2769 HydrophobicContact CE2-CG1 3.92Å; Y1954-I2769 VanDerWaalsContact OH-CG1 3.27Å; Y1954-I2769 WeakPolarHBondContact OH-CG1 3.38Å; Y1954-L2772 HydrophobicContact CD1-CD2 3.72Å; Y1954-L2772 HydrophobicContact CE1-CD2 3.49Å; Y1954-L2772 VanDerWaalsContact CE1-CD2 3.49Å |
| 1955 | H | 83 | Confident | 80.7 | Confident | 55.4 Ų | 55.4 | 55.3 Ų | 55.3 | 26% | 0.256 | 28% | 0.276 | S | S | . | . | trans | -59.9 | 147.3 | -178 | -167.9 | -114.6 | 0 | 0 | 0 | 112.7 | G1951 L1952 E1957 S1960 R1961 | G1951-H1955 PolarHBondContact O-N 2.78Å; L1952-H1955 HydrophobicContact CD2-CB 4.33Å; L1952-H1955 WeakPolarHBondContact O-CB 3.44Å; L1952-H1955 PolarHBondContact O-N 3.06Å; L1952-H1955 VanDerWaalsContact O-N 3.13Å; H1955-E1957 VanDerWaalsContact C-N 3.28Å; H1955-E1957 PolarHBondContact ND1-N 3.06Å; H1955-E1957 PolarHBondContact O-N 3.18Å; H1955-S1960 VanDerWaalsContact ND1-CB 3.28Å; H1955-S1960 WeakPolarHBondContact ND1-CB 3.44Å; H1955-S1960 PolarHBondContact ND1-OG 3.14Å; H1955-R1961 HydrophobicContact CB-CG 4.05Å; H1955-R1961 VanDerWaalsContact O-CD 3.26Å; H1955-R1961 WeakPolarHBondContact O-CD 3.37Å; H1955-R1961 WeakPolarHBondContact O-CG 3.38Å | ||
| 1956 | R | 79.8 | Confident | 80.7 | Confident | 248.6 Ų | 248.6 | 58.8 Ų | 58.8 | 94% | 0.938 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -62.8 | -32.7 | -177.4 | -106.7 | -178.3 | 179.1 | -174 | 0.2 | 112.9 | ||
| 1957 | E | 76.6 | Confident | 80.4 | Confident | 43.6 Ų | 43.6 | 56.7 Ų | 56.7 | 20% | 0.204 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -91.4 | 125.1 | -178.8 | -165.6 | -147.6 | -158 | 0 | 0 | 111.6 | R1913 R1927 H1955 Q1959 S1960 R1961 | R1913-E1957 IonicContact CZ-OE1 2.64Å; R1913-E1957 IonicContact NH2-OE1 2.65Å; R1913-E1957 PolarHBondContact NH2-OE1 2.93Å; R1927-E1957 IonicContact CZ-OE1 3.41Å; R1927-E1957 IonicContact CZ-OE2 3.04Å; R1927-E1957 IonicContact NE-OE1 3.16Å; R1927-E1957 PolarHBondContact NE-OE1 3.5Å; R1927-E1957 VanDerWaalsContact NE-OE1 3.11Å; R1927-E1957 IonicContact NE-OE2 3.25Å; R1927-E1957 PolarHBondContact NE-OE2 3.14Å; R1927-E1957 IonicContact NH2-OE1 3.02Å; R1927-E1957 PolarHBondContact NH2-OE1 3.04Å; R1927-E1957 IonicContact NH2-OE2 2.68Å; R1927-E1957 PolarHBondContact NH2-OE2 3.2Å; H1955-E1957 VanDerWaalsContact C-N 3.28Å; H1955-E1957 PolarHBondContact ND1-N 3.06Å; H1955-E1957 PolarHBondContact O-N 3.18Å; E1957-Q1959 VanDerWaalsContact C-N 3.32Å; E1957-Q1959 HydrophobicContact CG-CB 4.28Å; E1957-Q1959 PolarHBondContact O-N 3.36Å; E1957-Q1959 WeakPolarHBondContact OE1-CB 3.45Å; E1957-S1960 PolarHBondContact O-N 2.96Å; E1957-S1960 VanDerWaalsContact OE2-CB 3.28Å; E1957-S1960 WeakPolarHBondContact OE2-CB 3.32Å; E1957-S1960 PolarHBondContact OE2-N 3.03Å; E1957-S1960 PolarHBondContact OE2-OG 3.23Å; E1957-R1961 PolarHBondContact O-N 2.93Å |
| 1958 | P | 81.3 | Confident | 80.3 | Confident | 78.6 Ų | 78.6 | 54.4 Ų | 54.4 | 51% | 0.51 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.4 | -29.5 | -175.8 | 16.4 | -23.1 | 0 | 0 | 0 | 114.2 | S1960 R1961 A1962 D2778 L2781 | P1958-S1960 VanDerWaalsContact C-N 3.27Å; P1958-S1960 PolarHBondContact O-N 3.03Å; P1958-R1961 WeakPolarHBondContact O-CB 3.24Å; P1958-R1961 PolarHBondContact O-N 3.02Å; P1958-A1962 WeakPolarHBondContact O-CB 3.33Å; P1958-A1962 PolarHBondContact O-N 3.18Å; P1958-D2778 HydrophobicContact CB-CB 4.01Å; P1958-L2781 HydrophobicContact CB-CD2 3.91Å |
| 1959 | Q | 74.4 | Confident | 80.2 | Confident | 59.6 Ų | 59.6 | 53.2 Ų | 53.2 | 28% | 0.279 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68 | -38.5 | 179.7 | -174.3 | 74.8 | 17.8 | 0 | 0 | 111.5 | R1927 E1957 R1961 A1962 A1963 N2780 | R1927-Q1959 VanDerWaalsContact NE-NE2 3.13Å; R1927-Q1959 PolarHBondContact NH2-O 2.83Å; E1957-Q1959 VanDerWaalsContact C-N 3.32Å; E1957-Q1959 HydrophobicContact CG-CB 4.28Å; E1957-Q1959 PolarHBondContact O-N 3.36Å; E1957-Q1959 WeakPolarHBondContact OE1-CB 3.45Å; Q1959-R1961 VanDerWaalsContact C-N 3.32Å; Q1959-R1961 PolarHBondContact O-N 3.35Å; Q1959-A1962 PolarHBondContact O-N 3.12Å; Q1959-A1963 WeakPolarHBondContact O-CB 3.34Å; Q1959-A1963 PolarHBondContact O-N 3.16Å; Q1959-N2780 PolarHBondContact OE1-ND2 3.19Å |
| 1960 | S | 75.1 | Confident | 79.8 | Confident | 5 Ų | 5 | 56 Ų | 56 | 4% | 0.035 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.7 | -39.8 | 172.9 | -61.5 | 0 | 0 | 0 | 0 | 112 | M1903 R1927 H1955 E1957 P1958 A1962 A1963 F1964 | M1903-S1960 WeakPolarHBondContact CE-OG 3.34Å; R1927-S1960 VanDerWaalsContact NH2-N 3.12Å; R1927-S1960 PolarHBondContact NH2-OG 2.92Å; R1927-S1960 VanDerWaalsContact NH2-OG 3.15Å; H1955-S1960 VanDerWaalsContact ND1-CB 3.28Å; H1955-S1960 WeakPolarHBondContact ND1-CB 3.44Å; H1955-S1960 PolarHBondContact ND1-OG 3.14Å; E1957-S1960 PolarHBondContact O-N 2.96Å; E1957-S1960 VanDerWaalsContact OE2-CB 3.28Å; E1957-S1960 WeakPolarHBondContact OE2-CB 3.32Å; E1957-S1960 PolarHBondContact OE2-N 3.03Å; E1957-S1960 PolarHBondContact OE2-OG 3.23Å; P1958-S1960 VanDerWaalsContact C-N 3.27Å; P1958-S1960 PolarHBondContact O-N 3.03Å; S1960-A1962 PolarHBondContact O-N 3.16Å; S1960-A1963 PolarHBondContact O-N 3.41Å; S1960-F1964 VanDerWaalsContact O-CB 3.27Å; S1960-F1964 WeakPolarHBondContact O-CB 3.42Å; S1960-F1964 PolarHBondContact O-N 3.24Å |
| 1961 | R | 85.2 | Confident | 79.3 | Confident | 87 Ų | 87 | 53.2 Ų | 53.2 | 33% | 0.328 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 171.6 | -71.7 | 173.2 | 68.7 | -169.5 | -0.6 | 111.4 | L1952 G1953 H1955 E1957 P1958 Q1959 A1963 F1964 M1965 N2773 L2781 | L1952-R1961 WeakPolarHBondContact O-CG 3.38Å; G1953-R1961 WeakPolarHBondContact O-CD 3.3Å; G1953-R1961 PolarHBondContact O-NE 3.22Å; G1953-R1961 VanDerWaalsContact O-NE 3.1Å; H1955-R1961 HydrophobicContact CB-CG 4.05Å; H1955-R1961 VanDerWaalsContact O-CD 3.26Å; H1955-R1961 WeakPolarHBondContact O-CD 3.37Å; H1955-R1961 WeakPolarHBondContact O-CG 3.38Å; E1957-R1961 PolarHBondContact O-N 2.93Å; P1958-R1961 WeakPolarHBondContact O-CB 3.24Å; P1958-R1961 PolarHBondContact O-N 3.02Å; Q1959-R1961 VanDerWaalsContact C-N 3.32Å; Q1959-R1961 PolarHBondContact O-N 3.35Å; R1961-A1963 VanDerWaalsContact C-N 3.33Å; R1961-A1963 PolarHBondContact O-N 3.47Å; R1961-F1964 PolarHBondContact O-N 3.07Å; R1961-F1964 VanDerWaalsContact O-N 3.14Å; R1961-M1965 VanDerWaalsContact O-CG 3.29Å; R1961-M1965 WeakPolarHBondContact O-CG 3.32Å; R1961-M1965 PolarHBondContact O-N 3.28Å; R1961-N2773 PolarHBondContact NE-OD1 3.26Å; R1961-N2773 PolarHBondContact NH2-OD1 2.96Å; R1961-L2781 HydrophobicContact CB-CD1 3.65Å; R1961-L2781 HydrophobicContact CB-CD2 4.05Å |
| 1962 | A | 82.3 | Confident | 78.8 | Confident | 34 Ų | 34 | 54.5 Ų | 54.5 | 28% | 0.281 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P1958 Q1959 S1960 M1965 E1966 L2781 A2784 | P1958-A1962 WeakPolarHBondContact O-CB 3.33Å; P1958-A1962 PolarHBondContact O-N 3.18Å; Q1959-A1962 PolarHBondContact O-N 3.12Å; S1960-A1962 PolarHBondContact O-N 3.16Å; A1962-M1965 WeakPolarHBondContact O-CB 3.38Å; A1962-M1965 PolarHBondContact O-N 3.09Å; A1962-E1966 WeakPolarHBondContact O-CB 3.19Å; A1962-E1966 PolarHBondContact O-N 3.11Å; A1962-L2781 HydrophobicContact CB-CB 4.2Å; A1962-L2781 HydrophobicContact CB-CD1 4.01Å; A1962-A2784 HydrophobicContact CB-CB 4.36Å |
| 1963 | A | 72.9 | Confident | 78.2 | Confident | 10.8 Ų | 10.8 | 59.9 Ų | 59.9 | 9% | 0.089 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61 | -45.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1906 V1931 Q1959 S1960 R1961 M1965 E1966 V1967 | L1906-A1963 HydrophobicContact CD1-CB 4.45Å; V1931-A1963 HydrophobicContact CB-CB 4.24Å; V1931-A1963 HydrophobicContact CG1-CB 3.39Å; V1931-A1963 HydrophobicContact CG2-CB 3.95Å; Q1959-A1963 WeakPolarHBondContact O-CB 3.34Å; Q1959-A1963 PolarHBondContact O-N 3.16Å; S1960-A1963 PolarHBondContact O-N 3.41Å; R1961-A1963 VanDerWaalsContact C-N 3.33Å; R1961-A1963 PolarHBondContact O-N 3.47Å; A1963-M1965 VanDerWaalsContact C-N 3.3Å; A1963-M1965 PolarHBondContact O-N 3.2Å; A1963-E1966 WeakPolarHBondContact O-CB 3.41Å; A1963-E1966 PolarHBondContact O-N 3.16Å; A1963-E1966 VanDerWaalsContact O-N 3.14Å; A1963-V1967 WeakPolarHBondContact O-CB 3.5Å; A1963-V1967 VanDerWaalsContact O-CG2 3.3Å; A1963-V1967 WeakPolarHBondContact O-CG2 3.4Å; A1963-V1967 PolarHBondContact O-N 3.12Å; A1963-V1967 VanDerWaalsContact O-N 3.12Å |
| 1964 | F | 81.6 | Confident | 77 | Confident | 10 Ų | 10 | 64.6 Ų | 64.6 | 4% | 0.044 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 176.1 | 177.1 | -114.4 | 0 | 0 | 0 | 112.7 | L1938 A1949 L1952 G1953 S1960 R1961 V1967 L1968 | L1938-F1964 HydrophobicContact CD1-CD2 4.14Å; L1938-F1964 HydrophobicContact CD1-CE2 4.19Å; L1938-F1964 HydrophobicContact CD2-CD2 4.46Å; L1938-F1964 HydrophobicContact CD2-CE2 3.99Å; A1949-F1964 HydrophobicContact CB-CD2 4.48Å; A1949-F1964 HydrophobicContact CB-CE2 3.85Å; A1949-F1964 HydrophobicContact CB-CZ 4.41Å; A1949-F1964 VanDerWaalsContact O-CE2 3.29Å; A1949-F1964 WeakPolarHBondContact O-CE2 3.34Å; A1949-F1964 VanDerWaalsContact O-CZ 3.3Å; A1949-F1964 WeakPolarHBondContact O-CZ 3.27Å; L1952-F1964 HydrophobicContact CB-CB 3.83Å; L1952-F1964 HydrophobicContact CB-CD1 3.93Å; L1952-F1964 HydrophobicContact CB-CD2 4.02Å; L1952-F1964 HydrophobicContact CB-CE1 4.23Å; L1952-F1964 HydrophobicContact CB-CE2 4.24Å; L1952-F1964 HydrophobicContact CB-CG 3.65Å; L1952-F1964 VanDerWaalsContact CB-CG 3.5Å; L1952-F1964 HydrophobicContact CB-CZ 4.43Å; L1952-F1964 HydrophobicContact CD1-CB 4.29Å; L1952-F1964 HydrophobicContact CD1-CD2 4.22Å; L1952-F1964 HydrophobicContact CD1-CE2 4.35Å; L1952-F1964 HydrophobicContact CD1-CG 4.3Å; L1952-F1964 HydrophobicContact CG-CD2 4.37Å; L1952-F1964 HydrophobicContact CG-CG 4.47Å; G1953-F1964 VanDerWaalsContact N-CD1 3.29Å; S1960-F1964 VanDerWaalsContact O-CB 3.27Å; S1960-F1964 WeakPolarHBondContact O-CB 3.42Å; S1960-F1964 PolarHBondContact O-N 3.24Å; R1961-F1964 PolarHBondContact O-N 3.07Å; R1961-F1964 VanDerWaalsContact O-N 3.14Å; F1964-V1967 WeakPolarHBondContact O-CB 3.43Å; F1964-V1967 PolarHBondContact O-N 3.01Å; F1964-V1967 VanDerWaalsContact O-N 3.14Å; F1964-L1968 HydrophobicContact CD1-CD1 4.04Å; F1964-L1968 HydrophobicContact CD1-CG 4.48Å; F1964-L1968 HydrophobicContact CD2-CG 4.48Å; F1964-L1968 HydrophobicContact CE1-CD1 3.42Å; F1964-L1968 VanDerWaalsContact CE1-CD1 3.45Å; F1964-L1968 HydrophobicContact CE1-CD2 4.47Å; F1964-L1968 HydrophobicContact CE1-CG 4.1Å; F1964-L1968 HydrophobicContact CE2-CD1 4.22Å; F1964-L1968 HydrophobicContact CE2-CD2 4.27Å; F1964-L1968 HydrophobicContact CE2-CG 4Å; F1964-L1968 HydrophobicContact CZ-CD1 3.52Å; F1964-L1968 VanDerWaalsContact CZ-CD1 3.49Å; F1964-L1968 HydrophobicContact CZ-CD2 4.05Å; F1964-L1968 HydrophobicContact CZ-CG 3.78Å; F1964-L1968 WeakPolarHBondContact O-CB 3.32Å; F1964-L1968 WeakPolarHBondContact O-CG 3.42Å; F1964-L1968 PolarHBondContact O-N 3.05Å |
| 1965 | M | 83.9 | Confident | 75.5 | Confident | 53.6 Ų | 53.6 | 59.4 Ų | 59.4 | 26% | 0.264 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68 | -37 | 174.7 | -67.9 | -107 | 147.5 | 0 | 0 | 112.6 | R1961 A1962 A1963 V1967 L1968 T1969 I2769 N2773 L2781 A2784 A2785 L2788 | R1961-M1965 VanDerWaalsContact O-CG 3.29Å; R1961-M1965 WeakPolarHBondContact O-CG 3.32Å; R1961-M1965 PolarHBondContact O-N 3.28Å; A1962-M1965 WeakPolarHBondContact O-CB 3.38Å; A1962-M1965 PolarHBondContact O-N 3.09Å; A1963-M1965 VanDerWaalsContact C-N 3.3Å; A1963-M1965 PolarHBondContact O-N 3.2Å; M1965-V1967 VanDerWaalsContact C-N 3.27Å; M1965-V1967 PolarHBondContact O-N 2.95Å; M1965-L1968 HydrophobicContact CE-CD2 3.82Å; M1965-L1968 PolarHBondContact O-N 3.15Å; M1965-L1968 HydrophobicContact SD-CD1 4.23Å; M1965-T1969 VanDerWaalsContact O-CB 3.3Å; M1965-T1969 WeakPolarHBondContact O-CB 3.39Å; M1965-T1969 PolarHBondContact O-N 3.09Å; M1965-T1969 PolarHBondContact O-OG1 3.25Å; M1965-I2769 HydrophobicContact CE-CG2 3.92Å; M1965-I2769 WeakPolarHBondContact CE-O 3.4Å; M1965-N2773 HydrophobicContact CE-CB 3.47Å; M1965-N2773 VanDerWaalsContact CE-CB 3.47Å; M1965-N2773 HydrophobicContact SD-CB 3.48Å; M1965-N2773 WeakPolarHBondContact SD-CB 3.34Å; M1965-N2773 VanDerWaalsContact SD-CG 3.6Å; M1965-L2781 HydrophobicContact SD-CD1 3.53Å; M1965-L2781 VanDerWaalsContact SD-CD1 3.53Å; M1965-A2784 HydrophobicContact CB-CB 4.09Å; M1965-A2785 VanDerWaalsContact CE-CA 3.49Å; M1965-A2785 HydrophobicContact CE-CB 3.51Å; M1965-A2785 HydrophobicContact SD-CB 3.86Å; M1965-L2788 HydrophobicContact CB-CD2 4.45Å; M1965-L2788 HydrophobicContact CE-CB 4.47Å; M1965-L2788 HydrophobicContact CE-CD2 3.61Å; M1965-L2788 HydrophobicContact CG-CD2 4.31Å |
| 1966 | E | 79.1 | Confident | 74 | Confident | 73.2 Ų | 73.2 | 58.4 Ų | 58.4 | 34% | 0.342 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 170.8 | -132.8 | -163.6 | 163.6 | 0 | 0 | 111.4 | R1927 V1931 A1962 A1963 T1969 K1970 A2784 | R1927-E1966 IonicContact CZ-OE2 3.56Å; R1927-E1966 IonicContact NH1-OE2 2.75Å; R1927-E1966 PolarHBondContact NH1-OE2 3.24Å; R1927-E1966 VanDerWaalsContact NH1-OE2 3.13Å; R1927-E1966 IonicContact NH2-OE2 3.06Å; R1927-E1966 PolarHBondContact NH2-OE2 3.22Å; R1927-E1966 VanDerWaalsContact NH2-OE2 3.08Å; V1931-E1966 HydrophobicContact CG1-CB 4.47Å; V1931-E1966 HydrophobicContact CG1-CG 4.38Å; V1931-E1966 WeakPolarHBondContact CG1-OE1 3.28Å; A1962-E1966 WeakPolarHBondContact O-CB 3.19Å; A1962-E1966 PolarHBondContact O-N 3.11Å; A1963-E1966 WeakPolarHBondContact O-CB 3.41Å; A1963-E1966 PolarHBondContact O-N 3.16Å; A1963-E1966 VanDerWaalsContact O-N 3.14Å; E1966-T1969 PolarHBondContact O-N 3.2Å; E1966-K1970 HydrophobicContact CG-CD 4.48Å; E1966-K1970 WeakPolarHBondContact O-CB 3.44Å; E1966-K1970 VanDerWaalsContact O-CD 3.31Å; E1966-K1970 WeakPolarHBondContact O-CD 3.35Å; E1966-K1970 VanDerWaalsContact O-CG 3.27Å; E1966-K1970 WeakPolarHBondContact O-CG 3.31Å; E1966-K1970 PolarHBondContact O-N 3.15Å; E1966-K1970 VanDerWaalsContact O-N 3.09Å; E1966-K1970 WeakPolarHBondContact OE1-CE 3.34Å; E1966-K1970 IonicContact OE1-NZ 3.25Å; E1966-K1970 PolarHBondContact OE1-NZ 3.28Å; E1966-K1970 IonicContact OE2-NZ 3.3Å; E1966-K1970 PolarHBondContact OE2-NZ 3.16Å; E1966-A2784 HydrophobicContact CG-CB 4.46Å |
| 1967 | V | 75.4 | Confident | 72.6 | Confident | 4.6 Ų | 4.6 | 51.6 Ų | 51.6 | 3% | 0.028 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.4 | -50.7 | 175.7 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | V1931 M1934 S1935 L1938 N1939 A1963 F1964 M1965 T1969 K1970 I1971 | V1931-V1967 HydrophobicContact CG1-CG2 3.88Å; M1934-V1967 HydrophobicContact CB-CG2 4.22Å; S1935-V1967 WeakPolarHBondContact OG-CG2 3.13Å; L1938-V1967 HydrophobicContact CB-CG1 4.17Å; L1938-V1967 HydrophobicContact CD1-CG1 3.92Å; L1938-V1967 HydrophobicContact CD2-CG1 3.95Å; L1938-V1967 HydrophobicContact CG-CG1 4.36Å; N1939-V1967 VanDerWaalsContact OD1-CG1 3.25Å; N1939-V1967 WeakPolarHBondContact OD1-CG1 3.48Å; A1963-V1967 WeakPolarHBondContact O-CB 3.5Å; A1963-V1967 VanDerWaalsContact O-CG2 3.3Å; A1963-V1967 WeakPolarHBondContact O-CG2 3.4Å; A1963-V1967 PolarHBondContact O-N 3.12Å; A1963-V1967 VanDerWaalsContact O-N 3.12Å; F1964-V1967 WeakPolarHBondContact O-CB 3.43Å; F1964-V1967 PolarHBondContact O-N 3.01Å; F1964-V1967 VanDerWaalsContact O-N 3.14Å; M1965-V1967 VanDerWaalsContact C-N 3.27Å; M1965-V1967 PolarHBondContact O-N 2.95Å; V1967-T1969 VanDerWaalsContact C-N 3.31Å; V1967-T1969 PolarHBondContact O-N 3.08Å; V1967-K1970 WeakPolarHBondContact O-CB 3.42Å; V1967-K1970 PolarHBondContact O-N 3.01Å; V1967-K1970 VanDerWaalsContact O-N 3.12Å; V1967-I1971 HydrophobicContact CG1-CD1 3.69Å; V1967-I1971 VanDerWaalsContact CG1-CD1 3.46Å; V1967-I1971 HydrophobicContact CG1-CG1 4.41Å; V1967-I1971 VanDerWaalsContact O-CD1 3.29Å; V1967-I1971 WeakPolarHBondContact O-CD1 3.4Å; V1967-I1971 VanDerWaalsContact O-CG1 3.26Å; V1967-I1971 WeakPolarHBondContact O-CG1 3.41Å; V1967-I1971 PolarHBondContact O-N 3.15Å |
| 1968 | L | 80.2 | Confident | 71.2 | Confident | 31.8 Ų | 31.8 | 54.9 Ų | 54.9 | 17% | 0.166 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.3 | -41.3 | 176.8 | -89.9 | 163.1 | 0 | 0 | 0 | 112.1 | L1946 F1964 M1965 K1970 I1971 L1972 L2766 L2788 | L1946-L1968 HydrophobicContact CD1-CD2 4Å; F1964-L1968 HydrophobicContact CD1-CD1 4.04Å; F1964-L1968 HydrophobicContact CD1-CG 4.48Å; F1964-L1968 HydrophobicContact CD2-CG 4.48Å; F1964-L1968 HydrophobicContact CE1-CD1 3.42Å; F1964-L1968 VanDerWaalsContact CE1-CD1 3.45Å; F1964-L1968 HydrophobicContact CE1-CD2 4.47Å; F1964-L1968 HydrophobicContact CE1-CG 4.1Å; F1964-L1968 HydrophobicContact CE2-CD1 4.22Å; F1964-L1968 HydrophobicContact CE2-CD2 4.27Å; F1964-L1968 HydrophobicContact CE2-CG 4Å; F1964-L1968 HydrophobicContact CZ-CD1 3.52Å; F1964-L1968 VanDerWaalsContact CZ-CD1 3.49Å; F1964-L1968 HydrophobicContact CZ-CD2 4.05Å; F1964-L1968 HydrophobicContact CZ-CG 3.78Å; F1964-L1968 WeakPolarHBondContact O-CB 3.32Å; F1964-L1968 WeakPolarHBondContact O-CG 3.42Å; F1964-L1968 PolarHBondContact O-N 3.05Å; M1965-L1968 HydrophobicContact CE-CD2 3.82Å; M1965-L1968 PolarHBondContact O-N 3.15Å; M1965-L1968 HydrophobicContact SD-CD1 4.23Å; L1968-K1970 VanDerWaalsContact C-N 3.33Å; L1968-K1970 PolarHBondContact O-N 3.32Å; L1968-I1971 HydrophobicContact CD2-CD1 4.5Å; L1968-I1971 PolarHBondContact O-N 3.04Å; L1968-L1972 HydrophobicContact CG-CD1 4.2Å; L1968-L1972 WeakPolarHBondContact O-CB 3.35Å; L1968-L1972 WeakPolarHBondContact O-CD1 3.34Å; L1968-L1972 VanDerWaalsContact O-CG 3.32Å; L1968-L1972 WeakPolarHBondContact O-CG 3.4Å; L1968-L1972 PolarHBondContact O-N 3.06Å; L1968-L2766 HydrophobicContact CD1-CD2 3.81Å; L1968-L2766 HydrophobicContact CD2-CD2 4.08Å; L1968-L2788 HydrophobicContact CB-CD1 3.63Å; L1968-L2788 HydrophobicContact CD1-CD2 4.24Å |
| 1969 | T | 78.6 | Confident | 69.9 | Low | 43.4 Ų | 43.4 | 56.8 Ų | 56.8 | 27% | 0.266 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 176.3 | -55.7 | 0 | 0 | 0 | 0 | 110.8 | M1965 E1966 V1967 I1971 L1972 Q1973 N2787 L2788 A2791 | M1965-T1969 VanDerWaalsContact O-CB 3.3Å; M1965-T1969 WeakPolarHBondContact O-CB 3.39Å; M1965-T1969 PolarHBondContact O-N 3.09Å; M1965-T1969 PolarHBondContact O-OG1 3.25Å; E1966-T1969 PolarHBondContact O-N 3.2Å; V1967-T1969 VanDerWaalsContact C-N 3.31Å; V1967-T1969 PolarHBondContact O-N 3.08Å; T1969-I1971 VanDerWaalsContact C-N 3.33Å; T1969-I1971 PolarHBondContact O-N 3.13Å; T1969-L1972 PolarHBondContact O-N 3.12Å; T1969-Q1973 HydrophobicContact CG2-CG 4.36Å; T1969-Q1973 VanDerWaalsContact O-CB 3.27Å; T1969-Q1973 WeakPolarHBondContact O-CB 3.33Å; T1969-Q1973 VanDerWaalsContact O-CG 3.25Å; T1969-Q1973 WeakPolarHBondContact O-CG 3.32Å; T1969-Q1973 PolarHBondContact O-N 3.2Å; T1969-N2787 HydrophobicContact CG2-CB 4.39Å; T1969-L2788 WeakPolarHBondContact OG1-CA 3.31Å; T1969-L2788 PolarHBondContact OG1-N 3.06Å; T1969-A2791 HydrophobicContact CG2-CB 3.92Å |
| 1970 | K | 71.8 | Confident | 68.7 | Low | 58.8 Ų | 58.8 | 58.4 Ų | 58.4 | 26% | 0.256 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 175.7 | -76.7 | 167.1 | 176.9 | 165.7 | 0 | 112.6 | E1966 V1967 L1968 Q1973 Q1974 | E1966-K1970 HydrophobicContact CG-CD 4.48Å; E1966-K1970 WeakPolarHBondContact O-CB 3.44Å; E1966-K1970 VanDerWaalsContact O-CD 3.31Å; E1966-K1970 WeakPolarHBondContact O-CD 3.35Å; E1966-K1970 VanDerWaalsContact O-CG 3.27Å; E1966-K1970 WeakPolarHBondContact O-CG 3.31Å; E1966-K1970 PolarHBondContact O-N 3.15Å; E1966-K1970 VanDerWaalsContact O-N 3.09Å; E1966-K1970 WeakPolarHBondContact OE1-CE 3.34Å; E1966-K1970 IonicContact OE1-NZ 3.25Å; E1966-K1970 PolarHBondContact OE1-NZ 3.28Å; E1966-K1970 IonicContact OE2-NZ 3.3Å; E1966-K1970 PolarHBondContact OE2-NZ 3.16Å; V1967-K1970 WeakPolarHBondContact O-CB 3.42Å; V1967-K1970 PolarHBondContact O-N 3.01Å; V1967-K1970 VanDerWaalsContact O-N 3.12Å; L1968-K1970 VanDerWaalsContact C-N 3.33Å; L1968-K1970 PolarHBondContact O-N 3.32Å; K1970-Q1973 PolarHBondContact O-N 2.96Å; K1970-Q1974 VanDerWaalsContact O-CB 3.3Å; K1970-Q1974 WeakPolarHBondContact O-CB 3.31Å; K1970-Q1974 VanDerWaalsContact O-CD 3.3Å; K1970-Q1974 VanDerWaalsContact O-CG 3.26Å; K1970-Q1974 WeakPolarHBondContact O-CG 3.41Å; K1970-Q1974 PolarHBondContact O-N 3.18Å; K1970-Q1974 VanDerWaalsContact O-N 3.09Å; K1970-Q1974 PolarHBondContact O-NE2 3.11Å |
| 1971 | I | 73 | Confident | 67.6 | Low | 9.6 Ų | 9.6 | 63.5 Ų | 63.5 | 5% | 0.049 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.9 | -46.2 | 177.3 | -68.8 | 162.6 | 0 | 0 | 0 | 110.9 | L1938 N1939 I1942 V1967 L1968 T1969 Q1973 Q1974 G1975 T1976 P2759 | L1938-I1971 HydrophobicContact CB-CD1 3.81Å; L1938-I1971 HydrophobicContact CD1-CD1 4.11Å; L1938-I1971 HydrophobicContact CD2-CD1 3.75Å; L1938-I1971 VanDerWaalsContact CD2-CD1 3.49Å; L1938-I1971 HydrophobicContact CG-CD1 3.92Å; N1939-I1971 WeakPolarHBondContact ND2-CG1 3.45Å; N1939-I1971 WeakPolarHBondContact OD1-CA 3.28Å; N1939-I1971 WeakPolarHBondContact OD1-CD1 3.29Å; N1939-I1971 VanDerWaalsContact OD1-CG1 3.31Å; N1939-I1971 WeakPolarHBondContact OD1-CG1 3.38Å; I1942-I1971 HydrophobicContact CD1-CB 4.41Å; I1942-I1971 HydrophobicContact CD1-CD1 3.92Å; I1942-I1971 HydrophobicContact CD1-CG1 4.22Å; I1942-I1971 HydrophobicContact CD1-CG2 3.87Å; I1942-I1971 HydrophobicContact CG1-CD1 4.15Å; I1942-I1971 HydrophobicContact CG1-CG1 4.22Å; I1942-I1971 HydrophobicContact CG1-CG2 4.1Å; I1942-I1971 HydrophobicContact CG2-CG2 4.26Å; V1967-I1971 HydrophobicContact CG1-CD1 3.69Å; V1967-I1971 VanDerWaalsContact CG1-CD1 3.46Å; V1967-I1971 HydrophobicContact CG1-CG1 4.41Å; V1967-I1971 VanDerWaalsContact O-CD1 3.29Å; V1967-I1971 WeakPolarHBondContact O-CD1 3.4Å; V1967-I1971 VanDerWaalsContact O-CG1 3.26Å; V1967-I1971 WeakPolarHBondContact O-CG1 3.41Å; V1967-I1971 PolarHBondContact O-N 3.15Å; L1968-I1971 HydrophobicContact CD2-CD1 4.5Å; L1968-I1971 PolarHBondContact O-N 3.04Å; T1969-I1971 VanDerWaalsContact C-N 3.33Å; T1969-I1971 PolarHBondContact O-N 3.13Å; I1971-Q1973 VanDerWaalsContact C-N 3.33Å; I1971-Q1973 PolarHBondContact O-N 3.38Å; I1971-Q1974 PolarHBondContact O-N 2.92Å; I1971-G1975 PolarHBondContact O-N 3.13Å; I1971-T1976 HydrophobicContact CG2-CG2 3.54Å; I1971-T1976 VanDerWaalsContact CG2-CG2 3.46Å; I1971-T1976 PolarHBondContact O-N 2.97Å; I1971-T1976 PolarHBondContact O-OG1 3.5Å; I1971-P2759 HydrophobicContact CG2-CG 4.13Å |
| 1972 | L | 70.5 | Confident | 66 | Low | 70.4 Ų | 70.4 | 60.5 Ų | 60.5 | 37% | 0.369 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 176.4 | -69.1 | 166 | 0 | 0 | 0 | 111.9 | L1968 T1969 Q1974 G1975 F1978 P2759 L2788 A2791 L2792 T2795 F2796 | L1968-L1972 HydrophobicContact CG-CD1 4.2Å; L1968-L1972 WeakPolarHBondContact O-CB 3.35Å; L1968-L1972 WeakPolarHBondContact O-CD1 3.34Å; L1968-L1972 VanDerWaalsContact O-CG 3.32Å; L1968-L1972 WeakPolarHBondContact O-CG 3.4Å; L1968-L1972 PolarHBondContact O-N 3.06Å; T1969-L1972 PolarHBondContact O-N 3.12Å; L1972-Q1974 VanDerWaalsContact C-N 3.32Å; L1972-Q1974 PolarHBondContact O-N 2.94Å; L1972-G1975 PolarHBondContact O-N 2.96Å; L1972-G1975 VanDerWaalsContact O-N 3.13Å; L1972-F1978 HydrophobicContact CD2-CE2 4.37Å; L1972-P2759 HydrophobicContact CD2-CB 4.5Å; L1972-L2788 HydrophobicContact CD1-CD1 3.58Å; L1972-A2791 HydrophobicContact CB-CB 4.11Å; L1972-A2791 HydrophobicContact CD1-CB 4.22Å; L1972-L2792 HydrophobicContact CD1-CD2 3.52Å; L1972-L2792 HydrophobicContact CD1-CG 3.77Å; L1972-L2792 HydrophobicContact CD2-CD2 4.07Å; L1972-L2792 HydrophobicContact CG-CD2 4.47Å; L1972-T2795 HydrophobicContact CD2-CG2 4.03Å; L1972-F2796 HydrophobicContact CD2-CE2 4.09Å; L1972-F2796 HydrophobicContact CD2-CZ 3.99Å |
| 1973 | Q | 67.2 | Low | 64.9 | Low | 130.8 Ų | 130.8 | 64.5 Ų | 64.5 | 61% | 0.611 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -68.6 | -30.4 | 175.8 | -74.9 | 174.9 | -12.2 | 0 | 0 | 113.9 | T1969 K1970 I1971 G1975 | T1969-Q1973 HydrophobicContact CG2-CG 4.36Å; T1969-Q1973 VanDerWaalsContact O-CB 3.27Å; T1969-Q1973 WeakPolarHBondContact O-CB 3.33Å; T1969-Q1973 VanDerWaalsContact O-CG 3.25Å; T1969-Q1973 WeakPolarHBondContact O-CG 3.32Å; T1969-Q1973 PolarHBondContact O-N 3.2Å; K1970-Q1973 PolarHBondContact O-N 2.96Å; I1971-Q1973 VanDerWaalsContact C-N 3.33Å; I1971-Q1973 PolarHBondContact O-N 3.38Å; Q1973-G1975 PolarHBondContact O-N 3.13Å |
| 1974 | Q | 59.2 | Low | 64.5 | Low | 105.4 Ų | 105.4 | 67.8 Ų | 67.8 | 49% | 0.493 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -10.2 | 172.8 | -78.5 | 167.7 | 40.9 | 0 | 0 | 112.7 | S1935 N1939 K1970 I1971 L1972 | S1935-Q1974 PolarHBondContact OG-NE2 3.03Å; N1939-Q1974 PolarHBondContact ND2-NE2 3.27Å; N1939-Q1974 VanDerWaalsContact ND2-NE2 3.16Å; N1939-Q1974 PolarHBondContact ND2-OE1 3.22Å; K1970-Q1974 VanDerWaalsContact O-CB 3.3Å; K1970-Q1974 WeakPolarHBondContact O-CB 3.31Å; K1970-Q1974 VanDerWaalsContact O-CD 3.3Å; K1970-Q1974 VanDerWaalsContact O-CG 3.26Å; K1970-Q1974 WeakPolarHBondContact O-CG 3.41Å; K1970-Q1974 PolarHBondContact O-N 3.18Å; K1970-Q1974 VanDerWaalsContact O-N 3.09Å; K1970-Q1974 PolarHBondContact O-NE2 3.11Å; I1971-Q1974 PolarHBondContact O-N 2.92Å; L1972-Q1974 VanDerWaalsContact C-N 3.32Å; L1972-Q1974 PolarHBondContact O-N 2.94Å |
| 1975 | G | 54.8 | Low | 63.7 | Low | 34.2 Ų | 34.2 | 69.4 Ų | 69.4 | 35% | 0.353 | 37% | 0.367 | S | S | . | . | trans | 76 | 75.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1971 L1972 Q1973 E1977 | I1971-G1975 PolarHBondContact O-N 3.13Å; L1972-G1975 PolarHBondContact O-N 2.96Å; L1972-G1975 VanDerWaalsContact O-N 3.13Å; Q1973-G1975 PolarHBondContact O-N 3.13Å; G1975-E1977 WeakPolarHBondContact O-CG 3.47Å; G1975-E1977 PolarHBondContact O-N 3.24Å; G1975-E1977 VanDerWaalsContact O-N 3.1Å | ||
| 1976 | T | 51.6 | Low | 63.1 | Low | 32.8 Ų | 32.8 | 69.6 Ų | 69.6 | 20% | 0.201 | 37% | 0.369 | C | S | . | . | trans | -61.4 | 104.2 | 164.7 | 46.6 | 0 | 0 | 0 | 0 | 109.6 | N1939 I1942 I1971 F1978 P2759 | N1939-T1976 HydrophobicContact CB-CG2 4.29Å; N1939-T1976 WeakPolarHBondContact OD1-CG2 3.3Å; I1942-T1976 HydrophobicContact CD1-CG2 3.84Å; I1942-T1976 HydrophobicContact CG2-CG2 4.44Å; I1971-T1976 HydrophobicContact CG2-CG2 3.54Å; I1971-T1976 VanDerWaalsContact CG2-CG2 3.46Å; I1971-T1976 PolarHBondContact O-N 2.97Å; I1971-T1976 PolarHBondContact O-OG1 3.5Å; T1976-F1978 PolarHBondContact O-N 3.04Å; T1976-F1978 VanDerWaalsContact O-N 3.12Å; T1976-P2759 HydrophobicContact CG2-CG 4.03Å | ||
| 1977 | E | 49.2 | Very low | 62.8 | Low | 106 Ų | 106 | 68.8 Ų | 68.8 | 50% | 0.495 | 37% | 0.374 | S | S | . | . | trans | -34.6 | 56.7 | -174.9 | -50.7 | -176.8 | 164.7 | 0 | 0 | 113.6 | G1975 E1979 A1982 L1986 K2758 R2760 | G1975-E1977 WeakPolarHBondContact O-CG 3.47Å; G1975-E1977 PolarHBondContact O-N 3.24Å; G1975-E1977 VanDerWaalsContact O-N 3.1Å; E1977-E1979 VanDerWaalsContact C-N 3.33Å; E1977-E1979 PolarHBondContact O-N 3.19Å; E1977-E1979 VanDerWaalsContact O-N 3.12Å; E1977-A1982 HydrophobicContact CB-CB 3.47Å; E1977-A1982 VanDerWaalsContact CB-CB 3.47Å; E1977-A1982 HydrophobicContact CG-CB 3.48Å; E1977-A1982 VanDerWaalsContact CG-CB 3.48Å; E1977-A1982 WeakPolarHBondContact OE2-CB 3.44Å; E1977-L1986 WeakPolarHBondContact OE1-CD1 3.26Å; E1977-K2758 IonicContact OE1-NZ 2.85Å; E1977-K2758 PolarHBondContact OE1-NZ 3.26Å; E1977-K2758 IonicContact OE2-NZ 4Å; E1977-K2758 PolarHBondContact OE2-NZ 3.41Å; E1977-R2760 IonicContact OE2-CZ 2.72Å; E1977-R2760 IonicContact OE2-NH1 3.2Å; E1977-R2760 PolarHBondContact OE2-NH1 3.35Å | ||
| 1978 | F | 48.8 | Very low | 62.8 | Low | 112.4 Ų | 112.4 | 74 Ų | 74 | 49% | 0.493 | 40% | 0.398 | S | S | . | . | trans | -68.6 | 82.4 | 162.2 | -68.6 | -77.3 | 0 | 0 | 0 | 109.6 | L1972 T1976 T1980 L1981 A1982 T2795 | L1972-F1978 HydrophobicContact CD2-CE2 4.37Å; T1976-F1978 PolarHBondContact O-N 3.04Å; T1976-F1978 VanDerWaalsContact O-N 3.12Å; F1978-T1980 VanDerWaalsContact C-N 3.32Å; F1978-T1980 PolarHBondContact O-N 3.13Å; F1978-L1981 HydrophobicContact CB-CB 4.29Å; F1978-L1981 HydrophobicContact CB-CD1 4.27Å; F1978-L1981 HydrophobicContact CB-CG 4.48Å; F1978-L1981 PolarHBondContact O-N 3.29Å; F1978-A1982 PolarHBondContact O-N 3.14Å; F1978-A1982 VanDerWaalsContact O-N 3.13Å; F1978-T2795 HydrophobicContact CD2-CG2 4.49Å | ||
| 1979 | E | 53 | Low | 62.7 | Low | 120.2 Ų | 120.2 | 78 Ų | 78 | 56% | 0.562 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -44.8 | -50.8 | -166.3 | -67 | 177.8 | 138.5 | 0 | 0 | 112.9 | E1977 L1981 A1982 E1983 R2565 | E1977-E1979 VanDerWaalsContact C-N 3.33Å; E1977-E1979 PolarHBondContact O-N 3.19Å; E1977-E1979 VanDerWaalsContact O-N 3.12Å; E1979-L1981 VanDerWaalsContact C-N 3.29Å; E1979-L1981 PolarHBondContact O-N 2.91Å; E1979-L1981 VanDerWaalsContact O-N 3.12Å; E1979-A1982 PolarHBondContact O-N 3.13Å; E1979-E1983 HydrophobicContact CB-CG 4.48Å; E1979-E1983 WeakPolarHBondContact O-CA 3.39Å; E1979-E1983 WeakPolarHBondContact O-CB 3.35Å; E1979-E1983 WeakPolarHBondContact O-CG 3.32Å; E1979-E1983 PolarHBondContact O-N 3.05Å; E1979-R2565 VanDerWaalsContact CD-NH2 3.31Å; E1979-R2565 IonicContact OE1-CZ 2.65Å; E1979-R2565 VanDerWaalsContact OE1-CZ 3.26Å; E1979-R2565 IonicContact OE1-NH1 2.64Å; E1979-R2565 PolarHBondContact OE1-NH1 3.09Å; E1979-R2565 IonicContact OE1-NH2 2.78Å; E1979-R2565 PolarHBondContact OE1-NH2 3.33Å; E1979-R2565 IonicContact OE2-CZ 3.28Å; E1979-R2565 IonicContact OE2-NH1 3.24Å; E1979-R2565 PolarHBondContact OE2-NH1 2.98Å; E1979-R2565 IonicContact OE2-NH2 2.72Å; E1979-R2565 PolarHBondContact OE2-NH2 3.09Å |
| 1980 | T | 50 | Low | 63 | Low | 92.2 Ų | 92.2 | 78.9 Ų | 78.9 | 57% | 0.566 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -69.3 | -25 | -175.4 | 57.4 | 0 | 0 | 0 | 0 | 115.6 | F1978 T1984 | F1978-T1980 VanDerWaalsContact C-N 3.32Å; F1978-T1980 PolarHBondContact O-N 3.13Å; T1980-T1984 WeakPolarHBondContact O-CB 3.37Å; T1980-T1984 VanDerWaalsContact O-CG2 3.3Å; T1980-T1984 WeakPolarHBondContact O-CG2 3.18Å; T1980-T1984 PolarHBondContact O-N 3.02Å; T1980-T1984 PolarHBondContact O-OG1 3.12Å |
| 1981 | L | 50.3 | Low | 63.7 | Low | 112.2 Ų | 112.2 | 82 Ų | 82 | 59% | 0.587 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -88.5 | -33.9 | 179 | -78.5 | 169.5 | 0 | 0 | 0 | 112.3 | F1978 E1979 T1984 A1985 | F1978-L1981 HydrophobicContact CB-CB 4.29Å; F1978-L1981 HydrophobicContact CB-CD1 4.27Å; F1978-L1981 HydrophobicContact CB-CG 4.48Å; F1978-L1981 PolarHBondContact O-N 3.29Å; E1979-L1981 VanDerWaalsContact C-N 3.29Å; E1979-L1981 PolarHBondContact O-N 2.91Å; E1979-L1981 VanDerWaalsContact O-N 3.12Å; L1981-T1984 WeakPolarHBondContact CA-OG1 3.43Å; L1981-T1984 PolarHBondContact O-OG1 2.95Å; L1981-A1985 VanDerWaalsContact O-CB 3.26Å; L1981-A1985 WeakPolarHBondContact O-CB 3.41Å; L1981-A1985 PolarHBondContact O-N 3.01Å; L1981-A1985 VanDerWaalsContact O-N 3.13Å |
| 1982 | A | 53.3 | Low | 64.3 | Low | 25 Ų | 25 | 89.2 Ų | 89.2 | 21% | 0.207 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -69.2 | -47.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E1977 F1978 E1979 T1984 A1985 L1986 | E1977-A1982 HydrophobicContact CB-CB 3.47Å; E1977-A1982 VanDerWaalsContact CB-CB 3.47Å; E1977-A1982 HydrophobicContact CG-CB 3.48Å; E1977-A1982 VanDerWaalsContact CG-CB 3.48Å; E1977-A1982 WeakPolarHBondContact OE2-CB 3.44Å; F1978-A1982 PolarHBondContact O-N 3.14Å; F1978-A1982 VanDerWaalsContact O-N 3.13Å; E1979-A1982 PolarHBondContact O-N 3.13Å; A1982-T1984 VanDerWaalsContact C-N 3.33Å; A1982-T1984 PolarHBondContact O-N 3.18Å; A1982-A1985 PolarHBondContact O-N 3.15Å; A1982-L1986 VanDerWaalsContact O-CB 3.27Å; A1982-L1986 WeakPolarHBondContact O-CB 3.37Å; A1982-L1986 VanDerWaalsContact O-CG 3.24Å; A1982-L1986 WeakPolarHBondContact O-CG 3.16Å; A1982-L1986 PolarHBondContact O-N 3.12Å |
| 1983 | E | 58.9 | Low | 65.2 | Low | 116.8 Ų | 116.8 | 87.6 Ų | 87.6 | 55% | 0.546 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -57.6 | -46 | 178.6 | -70.9 | 177.7 | 160.3 | 0 | 0 | 112.1 | E1979 L1986 A1987 | E1979-E1983 HydrophobicContact CB-CG 4.48Å; E1979-E1983 WeakPolarHBondContact O-CA 3.39Å; E1979-E1983 WeakPolarHBondContact O-CB 3.35Å; E1979-E1983 WeakPolarHBondContact O-CG 3.32Å; E1979-E1983 PolarHBondContact O-N 3.05Å; E1983-L1986 PolarHBondContact O-N 2.84Å; E1983-A1987 WeakPolarHBondContact O-CA 3.41Å; E1983-A1987 VanDerWaalsContact O-CB 3.28Å; E1983-A1987 WeakPolarHBondContact O-CB 3.36Å; E1983-A1987 PolarHBondContact O-N 2.98Å |
| 1984 | T | 63.7 | Low | 66.3 | Low | 80.8 Ų | 80.8 | 82.2 Ų | 82.2 | 50% | 0.496 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.9 | -46 | 179.5 | 45.2 | 0 | 0 | 0 | 0 | 112.3 | T1980 L1981 A1982 L1986 A1987 E1988 | T1980-T1984 WeakPolarHBondContact O-CB 3.37Å; T1980-T1984 VanDerWaalsContact O-CG2 3.3Å; T1980-T1984 WeakPolarHBondContact O-CG2 3.18Å; T1980-T1984 PolarHBondContact O-N 3.02Å; T1980-T1984 PolarHBondContact O-OG1 3.12Å; L1981-T1984 WeakPolarHBondContact CA-OG1 3.43Å; L1981-T1984 PolarHBondContact O-OG1 2.95Å; A1982-T1984 VanDerWaalsContact C-N 3.33Å; A1982-T1984 PolarHBondContact O-N 3.18Å; T1984-L1986 VanDerWaalsContact C-N 3.32Å; T1984-L1986 PolarHBondContact O-N 3.17Å; T1984-A1987 PolarHBondContact O-N 3.02Å; T1984-E1988 PolarHBondContact O-N 3.1Å; T1984-E1988 VanDerWaalsContact O-N 3.15Å |
| 1985 | A | 65.2 | Low | 67.7 | Low | 42.8 Ų | 42.8 | 78.9 Ų | 78.9 | 35% | 0.354 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.7 | -29.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1981 A1982 R1989 | L1981-A1985 VanDerWaalsContact O-CB 3.26Å; L1981-A1985 WeakPolarHBondContact O-CB 3.41Å; L1981-A1985 PolarHBondContact O-N 3.01Å; L1981-A1985 VanDerWaalsContact O-N 3.13Å; A1982-A1985 PolarHBondContact O-N 3.15Å; A1985-R1989 WeakPolarHBondContact O-CB 2.95Å; A1985-R1989 VanDerWaalsContact O-CG 3.31Å; A1985-R1989 WeakPolarHBondContact O-CG 3.32Å; A1985-R1989 PolarHBondContact O-N 3.16Å; A1985-R1989 PolarHBondContact O-NE 3.15Å; A1985-R1989 PolarHBondContact O-NH1 2.83Å; A1985-R1989 PolarHBondContact O-NH2 3.07Å |
| 1986 | L | 70.8 | Confident | 69.3 | Low | 57.4 Ų | 57.4 | 79.6 Ų | 79.6 | 30% | 0.301 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -75.3 | -42 | 173.3 | -114.1 | 149.2 | 0 | 0 | 0 | 111.5 | E1977 A1982 E1983 T1984 E1988 R1989 Y1990 L2455 | E1977-L1986 WeakPolarHBondContact OE1-CD1 3.26Å; A1982-L1986 VanDerWaalsContact O-CB 3.27Å; A1982-L1986 WeakPolarHBondContact O-CB 3.37Å; A1982-L1986 VanDerWaalsContact O-CG 3.24Å; A1982-L1986 WeakPolarHBondContact O-CG 3.16Å; A1982-L1986 PolarHBondContact O-N 3.12Å; E1983-L1986 PolarHBondContact O-N 2.84Å; T1984-L1986 VanDerWaalsContact C-N 3.32Å; T1984-L1986 PolarHBondContact O-N 3.17Å; L1986-E1988 VanDerWaalsContact C-N 3.29Å; L1986-E1988 PolarHBondContact O-N 3.35Å; L1986-R1989 PolarHBondContact O-N 3.11Å; L1986-R1989 VanDerWaalsContact O-N 3.09Å; L1986-Y1990 HydrophobicContact CB-CD2 4.16Å; L1986-Y1990 HydrophobicContact CB-CE2 4.09Å; L1986-Y1990 HydrophobicContact CD1-CD2 4.33Å; L1986-Y1990 HydrophobicContact CD1-CE2 3.97Å; L1986-Y1990 HydrophobicContact CD2-CD2 3.91Å; L1986-Y1990 HydrophobicContact CD2-CE2 3.84Å; L1986-Y1990 HydrophobicContact CG-CD2 3.78Å; L1986-Y1990 HydrophobicContact CG-CE2 4.02Å; L1986-Y1990 WeakPolarHBondContact O-CB 3.4Å; L1986-Y1990 WeakPolarHBondContact O-CD2 3.39Å; L1986-Y1990 PolarHBondContact O-N 3.09Å; L1986-L2455 HydrophobicContact CD2-CD2 4.14Å |
| 1987 | A | 72.7 | Confident | 71.2 | Confident | 56.2 Ų | 56.2 | 78.6 Ų | 78.6 | 46% | 0.464 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.5 | -46.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1983 T1984 R1989 Y1990 E1991 | E1983-A1987 WeakPolarHBondContact O-CA 3.41Å; E1983-A1987 VanDerWaalsContact O-CB 3.28Å; E1983-A1987 WeakPolarHBondContact O-CB 3.36Å; E1983-A1987 PolarHBondContact O-N 2.98Å; T1984-A1987 PolarHBondContact O-N 3.02Å; A1987-R1989 VanDerWaalsContact C-N 3.3Å; A1987-R1989 PolarHBondContact O-N 3.09Å; A1987-Y1990 CarbonylContact O-C 3.59Å; A1987-Y1990 PolarHBondContact O-N 3.07Å; A1987-E1991 WeakPolarHBondContact O-CB 3.31Å; A1987-E1991 PolarHBondContact O-N 3.16Å |
| 1988 | E | 76.3 | Confident | 73.1 | Confident | 114 Ų | 114 | 74.2 Ų | 74.2 | 53% | 0.533 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61 | -41.1 | 175.2 | -90 | -161.3 | -171.3 | 0 | 0 | 112.7 | T1984 L1986 Y1990 E1991 R1992 | T1984-E1988 PolarHBondContact O-N 3.1Å; T1984-E1988 VanDerWaalsContact O-N 3.15Å; L1986-E1988 VanDerWaalsContact C-N 3.29Å; L1986-E1988 PolarHBondContact O-N 3.35Å; E1988-Y1990 VanDerWaalsContact C-N 3.31Å; E1988-Y1990 PolarHBondContact O-N 3.36Å; E1988-E1991 PolarHBondContact O-N 3.27Å; E1988-R1992 VanDerWaalsContact O-CG 3.28Å; E1988-R1992 WeakPolarHBondContact O-CG 3.41Å; E1988-R1992 PolarHBondContact O-N 2.92Å; E1988-R1992 VanDerWaalsContact O-N 3.11Å; E1988-R1992 IonicContact OE1-CZ 2.62Å; E1988-R1992 IonicContact OE1-NE 2.64Å; E1988-R1992 PolarHBondContact OE1-NE 2.98Å; E1988-R1992 IonicContact OE1-NH2 3.05Å; E1988-R1992 PolarHBondContact OE1-NH2 3.48Å; E1988-R1992 IonicContact OE2-CZ 3.26Å; E1988-R1992 IonicContact OE2-NH1 3.47Å; E1988-R1992 PolarHBondContact OE2-NH1 3.09Å; E1988-R1992 IonicContact OE2-NH2 3.49Å; E1988-R1992 PolarHBondContact OE2-NH2 3.07Å |
| 1989 | R | 78.6 | Confident | 74.9 | Confident | 117.6 Ų | 117.6 | 72.1 Ų | 72.1 | 44% | 0.444 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 178.2 | -87.7 | 180 | -81.8 | -150 | 2 | 111.5 | A1985 L1986 A1987 R1992 L1993 H2454 L2455 | A1985-R1989 WeakPolarHBondContact O-CB 2.95Å; A1985-R1989 VanDerWaalsContact O-CG 3.31Å; A1985-R1989 WeakPolarHBondContact O-CG 3.32Å; A1985-R1989 PolarHBondContact O-N 3.16Å; A1985-R1989 PolarHBondContact O-NE 3.15Å; A1985-R1989 PolarHBondContact O-NH1 2.83Å; A1985-R1989 PolarHBondContact O-NH2 3.07Å; L1986-R1989 PolarHBondContact O-N 3.11Å; L1986-R1989 VanDerWaalsContact O-N 3.09Å; A1987-R1989 VanDerWaalsContact C-N 3.3Å; A1987-R1989 PolarHBondContact O-N 3.09Å; R1989-R1992 PolarHBondContact O-N 3Å; R1989-L1993 PolarHBondContact O-N 3.15Å; R1989-L1993 VanDerWaalsContact O-N 3.08Å; R1989-H2454 PolarHBondContact NH1-O 2.94Å; R1989-L2455 HydrophobicContact CB-CD2 3.7Å; R1989-L2455 HydrophobicContact CB-CG 4.39Å |
| 1990 | Y | 84.5 | Confident | 76.5 | Confident | 61.4 Ų | 61.4 | 69.4 Ų | 69.4 | 24% | 0.241 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -75.2 | -31.7 | 178 | -75.2 | -44.7 | 0 | 0 | 0 | 113.4 | L1986 A1987 E1988 R1992 L1993 V1994 I2413 H2414 H2417 L2455 | L1986-Y1990 HydrophobicContact CB-CD2 4.16Å; L1986-Y1990 HydrophobicContact CB-CE2 4.09Å; L1986-Y1990 HydrophobicContact CD1-CD2 4.33Å; L1986-Y1990 HydrophobicContact CD1-CE2 3.97Å; L1986-Y1990 HydrophobicContact CD2-CD2 3.91Å; L1986-Y1990 HydrophobicContact CD2-CE2 3.84Å; L1986-Y1990 HydrophobicContact CG-CD2 3.78Å; L1986-Y1990 HydrophobicContact CG-CE2 4.02Å; L1986-Y1990 WeakPolarHBondContact O-CB 3.4Å; L1986-Y1990 WeakPolarHBondContact O-CD2 3.39Å; L1986-Y1990 PolarHBondContact O-N 3.09Å; A1987-Y1990 CarbonylContact O-C 3.59Å; A1987-Y1990 PolarHBondContact O-N 3.07Å; E1988-Y1990 VanDerWaalsContact C-N 3.31Å; E1988-Y1990 PolarHBondContact O-N 3.36Å; Y1990-R1992 VanDerWaalsContact C-N 3.32Å; Y1990-R1992 PolarHBondContact O-N 3.04Å; Y1990-L1993 HydrophobicContact CD1-CD2 4.06Å; Y1990-L1993 HydrophobicContact CE1-CD2 4.4Å; Y1990-L1993 WeakPolarHBondContact O-CB 3.38Å; Y1990-L1993 PolarHBondContact O-N 3.16Å; Y1990-L1993 VanDerWaalsContact O-N 3.15Å; Y1990-V1994 WeakPolarHBondContact O-CB 3.27Å; Y1990-V1994 VanDerWaalsContact O-CG2 3.32Å; Y1990-V1994 WeakPolarHBondContact O-CG2 3.37Å; Y1990-V1994 PolarHBondContact O-N 3.03Å; Y1990-I2413 HydrophobicContact CD1-CG2 3.49Å; Y1990-I2413 VanDerWaalsContact CD1-CG2 3.48Å; Y1990-I2413 HydrophobicContact CD2-CG2 3.69Å; Y1990-I2413 HydrophobicContact CE1-CG2 4.02Å; Y1990-I2413 HydrophobicContact CE2-CG2 4.17Å; Y1990-I2413 HydrophobicContact CG-CG2 3.32Å; Y1990-H2414 AromaticContact CE2-CE1 3.78Å; Y1990-H2414 AromaticContact CE2-NE2 3.75Å; Y1990-H2414 AromaticContact CZ-NE2 3.67Å; Y1990-H2414 PolarHBondContact OH-CD2 3.44Å; Y1990-H2414 PolarHBondContact OH-NE2 2.82Å; Y1990-H2417 HydrophobicContact CE1-CB 4.16Å; Y1990-H2417 AromaticContact CE1-CG 3.98Å; Y1990-H2417 AromaticContact CE1-ND1 3.54Å; Y1990-H2417 AromaticContact CZ-ND1 3.83Å; Y1990-H2417 PolarHBondContact OH-ND1 3.32Å; Y1990-L2455 HydrophobicContact CD1-CD1 4.13Å; Y1990-L2455 HydrophobicContact CD1-CD2 3.97Å; Y1990-L2455 HydrophobicContact CE1-CD1 4.05Å; Y1990-L2455 HydrophobicContact CE1-CD2 3.74Å |
| 1991 | E | 86 | Confident | 77.8 | Confident | 124.8 Ų | 124.8 | 65.8 Ų | 65.8 | 58% | 0.583 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.6 | -41.5 | 171.9 | 179.1 | 160.5 | -139.6 | 0 | 0 | 111.3 | A1987 E1988 L1993 V1994 G1995 K2035 | A1987-E1991 WeakPolarHBondContact O-CB 3.31Å; A1987-E1991 PolarHBondContact O-N 3.16Å; E1988-E1991 PolarHBondContact O-N 3.27Å; E1991-L1993 VanDerWaalsContact C-N 3.32Å; E1991-L1993 PolarHBondContact O-N 3.04Å; E1991-V1994 PolarHBondContact O-N 3.07Å; E1991-G1995 PolarHBondContact O-N 3.11Å; E1991-K2035 IonicContact OE1-NZ 3.11Å; E1991-K2035 PolarHBondContact OE1-NZ 3.45Å; E1991-K2035 VanDerWaalsContact OE1-NZ 3.12Å |
| 1992 | R | 86.5 | Confident | 78.8 | Confident | 159.6 Ų | 159.6 | 69.1 Ų | 69.1 | 60% | 0.602 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.1 | -38.8 | 173.4 | -65.1 | 173.3 | -165.6 | -179.5 | 8.1 | 112.1 | E1988 R1989 Y1990 G1995 L1996 L2451 | E1988-R1992 VanDerWaalsContact O-CG 3.28Å; E1988-R1992 WeakPolarHBondContact O-CG 3.41Å; E1988-R1992 PolarHBondContact O-N 2.92Å; E1988-R1992 VanDerWaalsContact O-N 3.11Å; E1988-R1992 IonicContact OE1-CZ 2.62Å; E1988-R1992 IonicContact OE1-NE 2.64Å; E1988-R1992 PolarHBondContact OE1-NE 2.98Å; E1988-R1992 IonicContact OE1-NH2 3.05Å; E1988-R1992 PolarHBondContact OE1-NH2 3.48Å; E1988-R1992 IonicContact OE2-CZ 3.26Å; E1988-R1992 IonicContact OE2-NH1 3.47Å; E1988-R1992 PolarHBondContact OE2-NH1 3.09Å; E1988-R1992 IonicContact OE2-NH2 3.49Å; E1988-R1992 PolarHBondContact OE2-NH2 3.07Å; R1989-R1992 PolarHBondContact O-N 3Å; Y1990-R1992 VanDerWaalsContact C-N 3.32Å; Y1990-R1992 PolarHBondContact O-N 3.04Å; R1992-G1995 PolarHBondContact O-N 3.09Å; R1992-L1996 WeakPolarHBondContact O-CB 3.39Å; R1992-L1996 WeakPolarHBondContact O-CG 3.44Å; R1992-L1996 PolarHBondContact O-N 3.22Å; R1992-L1996 VanDerWaalsContact O-N 3.08Å; R1992-L2451 HydrophobicContact CB-CD1 4.41Å; R1992-L2451 HydrophobicContact CB-CD2 3.98Å |
| 1993 | L | 89.4 | Confident | 79.6 | Confident | 37 Ų | 37 | 72.3 Ų | 72.3 | 19% | 0.194 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65 | -45.3 | 175.8 | -177.5 | 66.8 | 0 | 0 | 0 | 111.5 | R1989 Y1990 E1991 G1995 L1996 V1997 H2417 L2420 M2448 L2451 L2452 L2455 | R1989-L1993 PolarHBondContact O-N 3.15Å; R1989-L1993 VanDerWaalsContact O-N 3.08Å; Y1990-L1993 HydrophobicContact CD1-CD2 4.06Å; Y1990-L1993 HydrophobicContact CE1-CD2 4.4Å; Y1990-L1993 WeakPolarHBondContact O-CB 3.38Å; Y1990-L1993 PolarHBondContact O-N 3.16Å; Y1990-L1993 VanDerWaalsContact O-N 3.15Å; E1991-L1993 VanDerWaalsContact C-N 3.32Å; E1991-L1993 PolarHBondContact O-N 3.04Å; L1993-G1995 VanDerWaalsContact C-N 3.34Å; L1993-G1995 PolarHBondContact O-N 3.44Å; L1993-L1996 PolarHBondContact O-N 3.12Å; L1993-V1997 HydrophobicContact CD1-CG2 4.39Å; L1993-V1997 WeakPolarHBondContact O-CG2 3.31Å; L1993-V1997 PolarHBondContact O-N 3.28Å; L1993-V1997 VanDerWaalsContact O-N 3.12Å; L1993-H2417 HydrophobicContact CD2-CB 4.13Å; L1993-L2420 HydrophobicContact CD1-CD1 3.87Å; L1993-L2420 HydrophobicContact CD2-CD1 4.37Å; L1993-L2420 HydrophobicContact CG-CD1 4.22Å; L1993-M2448 HydrophobicContact CD1-CG 4.34Å; L1993-L2451 VanDerWaalsContact CA-CD2 3.48Å; L1993-L2451 HydrophobicContact CB-CD2 3.76Å; L1993-L2451 HydrophobicContact CD1-CD2 4.02Å; L1993-L2451 VanDerWaalsContact N-CD2 3.33Å; L1993-L2452 HydrophobicContact CD1-CD2 4.35Å; L1993-L2455 HydrophobicContact CB-CD1 4.48Å; L1993-L2455 HydrophobicContact CD1-CD1 4.38Å; L1993-L2455 HydrophobicContact CD2-CD1 4.01Å |
| 1994 | V | 89.8 | Confident | 80.5 | Confident | 16.8 Ų | 16.8 | 67.1 Ų | 67.1 | 10% | 0.102 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 174.7 | 166.2 | 0 | 0 | 0 | 0 | 110.7 | Y1990 E1991 L1996 V1997 T1998 L2031 K2035 I2408 I2413 L2416 | Y1990-V1994 WeakPolarHBondContact O-CB 3.27Å; Y1990-V1994 VanDerWaalsContact O-CG2 3.32Å; Y1990-V1994 WeakPolarHBondContact O-CG2 3.37Å; Y1990-V1994 PolarHBondContact O-N 3.03Å; E1991-V1994 PolarHBondContact O-N 3.07Å; V1994-L1996 VanDerWaalsContact C-N 3.29Å; V1994-L1996 PolarHBondContact O-N 3.18Å; V1994-V1997 PolarHBondContact O-N 3.05Å; V1994-V1997 VanDerWaalsContact O-N 3.14Å; V1994-T1998 HydrophobicContact CG1-CG2 4.46Å; V1994-T1998 WeakPolarHBondContact O-CB 3.35Å; V1994-T1998 PolarHBondContact O-N 3.06Å; V1994-T1998 PolarHBondContact O-OG1 2.97Å; V1994-T1998 VanDerWaalsContact O-OG1 3.1Å; V1994-L2031 HydrophobicContact CB-CD1 4.45Å; V1994-L2031 HydrophobicContact CG1-CD1 3.85Å; V1994-L2031 HydrophobicContact CG1-CD2 4.32Å; V1994-L2031 HydrophobicContact CG1-CG 4.21Å; V1994-L2031 HydrophobicContact CG2-CD1 3.89Å; V1994-K2035 HydrophobicContact CG1-CD 4.46Å; V1994-K2035 HydrophobicContact CG1-CG 4.39Å; V1994-I2408 HydrophobicContact CG1-CD1 3.95Å; V1994-I2408 HydrophobicContact CG2-CD1 4.08Å; V1994-I2413 HydrophobicContact CG2-CD1 4.5Å; V1994-I2413 HydrophobicContact CG2-CG1 4.39Å; V1994-L2416 HydrophobicContact CG2-CD2 4.42Å |
| 1995 | G | 88.1 | Confident | 81.3 | Confident | 36.4 Ų | 36.4 | 67.3 Ų | 67.3 | 38% | 0.375 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.5 | -35.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E1991 R1992 L1993 T1998 M1999 | E1991-G1995 PolarHBondContact O-N 3.11Å; R1992-G1995 PolarHBondContact O-N 3.09Å; L1993-G1995 VanDerWaalsContact C-N 3.34Å; L1993-G1995 PolarHBondContact O-N 3.44Å; G1995-T1998 CarbonylContact O-C 3.57Å; G1995-T1998 PolarHBondContact O-OG1 3.29Å; G1995-M1999 PolarHBondContact O-N 3.2Å; G1995-M1999 VanDerWaalsContact O-N 3.11Å |
| 1996 | L | 89.4 | Confident | 82.4 | Confident | 49.8 Ų | 49.8 | 65.3 Ų | 65.3 | 26% | 0.261 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.8 | -41.6 | 173.7 | -136 | 107.1 | 0 | 0 | 0 | 112.4 | R1992 L1993 V1994 T1998 M1999 I2008 K2447 M2448 L2451 | R1992-L1996 WeakPolarHBondContact O-CB 3.39Å; R1992-L1996 WeakPolarHBondContact O-CG 3.44Å; R1992-L1996 PolarHBondContact O-N 3.22Å; R1992-L1996 VanDerWaalsContact O-N 3.08Å; L1993-L1996 PolarHBondContact O-N 3.12Å; V1994-L1996 VanDerWaalsContact C-N 3.29Å; V1994-L1996 PolarHBondContact O-N 3.18Å; L1996-T1998 VanDerWaalsContact C-N 3.33Å; L1996-T1998 PolarHBondContact O-N 3.33Å; L1996-M1999 VanDerWaalsContact O-CB 3.25Å; L1996-M1999 WeakPolarHBondContact O-CB 3.34Å; L1996-M1999 PolarHBondContact O-N 3.16Å; L1996-I2008 HydrophobicContact CB-CD1 4.33Å; L1996-I2008 HydrophobicContact CD2-CD1 3.82Å; L1996-I2008 HydrophobicContact CG-CD1 3.75Å; L1996-I2008 WeakPolarHBondContact O-CG1 3.38Å; L1996-K2447 HydrophobicContact CD1-CB 3.97Å; L1996-K2447 HydrophobicContact CD1-CD 4.12Å; L1996-K2447 HydrophobicContact CD2-CB 4.04Å; L1996-K2447 HydrophobicContact CD2-CD 4.06Å; L1996-M2448 HydrophobicContact CD1-CB 4.24Å; L1996-M2448 VanDerWaalsContact CD2-CA 3.42Å; L1996-M2448 HydrophobicContact CD2-CB 3.58Å; L1996-M2448 HydrophobicContact CD2-CG 4.22Å; L1996-L2451 HydrophobicContact CD1-CB 4.5Å; L1996-L2451 HydrophobicContact CD1-CD2 3.91Å |
| 1997 | V | 89.9 | Confident | 83.1 | Confident | 10.6 Ų | 10.6 | 63.8 Ų | 63.8 | 6% | 0.064 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.3 | -35 | 178.9 | 173.8 | 0 | 0 | 0 | 0 | 111.8 | L1993 V1994 M1999 I2008 L2031 F2032 L2416 L2420 | L1993-V1997 HydrophobicContact CD1-CG2 4.39Å; L1993-V1997 WeakPolarHBondContact O-CG2 3.31Å; L1993-V1997 PolarHBondContact O-N 3.28Å; L1993-V1997 VanDerWaalsContact O-N 3.12Å; V1994-V1997 PolarHBondContact O-N 3.05Å; V1994-V1997 VanDerWaalsContact O-N 3.14Å; V1997-M1999 VanDerWaalsContact C-N 3.29Å; V1997-M1999 PolarHBondContact O-N 2.83Å; V1997-I2008 HydrophobicContact CG2-CG2 4.12Å; V1997-L2031 HydrophobicContact CB-CD2 4.34Å; V1997-L2031 HydrophobicContact CG1-CD2 3.8Å; V1997-F2032 HydrophobicContact CG1-CE2 4.47Å; V1997-L2416 HydrophobicContact CB-CD2 4.45Å; V1997-L2416 HydrophobicContact CG1-CD1 4.26Å; V1997-L2416 HydrophobicContact CG1-CD2 4.49Å; V1997-L2416 HydrophobicContact CG2-CD1 4.23Å; V1997-L2416 HydrophobicContact CG2-CD2 4.19Å; V1997-L2420 HydrophobicContact CG2-CD1 3.83Å; V1997-L2420 HydrophobicContact CG2-CD2 4.49Å |
| 1998 | T | 89.2 | Confident | 83.8 | Confident | 14.8 Ų | 14.8 | 61.7 Ų | 61.7 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 15.9 | 174.6 | 64.4 | 0 | 0 | 0 | 0 | 113.3 | V1994 G1995 L1996 V2000 L2031 F2032 K2035 | V1994-T1998 HydrophobicContact CG1-CG2 4.46Å; V1994-T1998 WeakPolarHBondContact O-CB 3.35Å; V1994-T1998 PolarHBondContact O-N 3.06Å; V1994-T1998 PolarHBondContact O-OG1 2.97Å; V1994-T1998 VanDerWaalsContact O-OG1 3.1Å; G1995-T1998 CarbonylContact O-C 3.57Å; G1995-T1998 PolarHBondContact O-OG1 3.29Å; L1996-T1998 VanDerWaalsContact C-N 3.33Å; L1996-T1998 PolarHBondContact O-N 3.33Å; T1998-V2000 PolarHBondContact O-N 3.26Å; T1998-L2031 HydrophobicContact CG2-CD2 3.91Å; T1998-L2031 HydrophobicContact CG2-CG 4.1Å; T1998-F2032 HydrophobicContact CG2-CD2 4.33Å; T1998-F2032 HydrophobicContact CG2-CE1 4.23Å; T1998-F2032 HydrophobicContact CG2-CE2 4Å; T1998-F2032 HydrophobicContact CG2-CZ 3.94Å; T1998-K2035 HydrophobicContact CG2-CB 4.4Å; T1998-K2035 HydrophobicContact CG2-CG 4.22Å |
| 1999 | M | 87.1 | Confident | 84.4 | Confident | 67.6 Ų | 67.6 | 56.3 Ų | 56.3 | 33% | 0.333 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 120 | 177.1 | -170.5 | -174.5 | 77.4 | 0 | 0 | 110.2 | G1995 L1996 V1997 P2007 I2008 P2444 | G1995-M1999 PolarHBondContact O-N 3.2Å; G1995-M1999 VanDerWaalsContact O-N 3.11Å; L1996-M1999 VanDerWaalsContact O-CB 3.25Å; L1996-M1999 WeakPolarHBondContact O-CB 3.34Å; L1996-M1999 PolarHBondContact O-N 3.16Å; V1997-M1999 VanDerWaalsContact C-N 3.29Å; V1997-M1999 PolarHBondContact O-N 2.83Å; M1999-P2007 HydrophobicContact CE-CG 4.23Å; M1999-I2008 HydrophobicContact CE-CG1 4.42Å; M1999-P2444 HydrophobicContact CE-CB 3.71Å; M1999-P2444 HydrophobicContact CE-CG 3.75Å; M1999-P2444 HydrophobicContact SD-CB 4.1Å |
| 2000 | V | 85.8 | Confident | 84.9 | Confident | 64.4 Ų | 64.4 | 51.7 Ų | 51.7 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -89.8 | 124.9 | 175.1 | -172.1 | 0 | 0 | 0 | 0 | 108.6 | T1998 L2006 L2037 F2335 | T1998-V2000 PolarHBondContact O-N 3.26Å; V2000-L2006 HydrophobicContact CG2-CD2 3.96Å; V2000-L2037 HydrophobicContact CG2-CD1 4.14Å; V2000-L2037 HydrophobicContact CG2-CD2 4.23Å; V2000-F2335 HydrophobicContact CG1-CZ 4.31Å |
| 2001 | G | 77.6 | Confident | 85.1 | Confident | 15.4 Ų | 15.4 | 49.2 Ų | 49.2 | 16% | 0.159 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 172.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N2003 G2004 E2005 | G2001-N2003 VanDerWaalsContact C-N 3.27Å; G2001-N2003 PolarHBondContact O-N 3Å; G2001-N2003 VanDerWaalsContact O-N 3.14Å; G2001-G2004 WeakPolarHBondContact O-CA 3.36Å; G2001-G2004 PolarHBondContact O-N 3.21Å; G2001-E2005 PolarHBondContact N-O 3.07Å |
| 2002 | E | 71.5 | Confident | 85.3 | Confident | 181 Ų | 181 | 43.8 Ų | 43.8 | 85% | 0.846 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -35.8 | -175.6 | -63.9 | 174.6 | 176.2 | 0 | 0 | 113.1 | G2004 | E2002-G2004 VanDerWaalsContact C-N 3.29Å; E2002-G2004 PolarHBondContact O-N 3.28Å |
| 2003 | N | 70.9 | Confident | 85.4 | Confident | 92.8 Ų | 92.8 | 36.7 Ų | 36.7 | 50% | 0.496 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 2.4 | 176.3 | -61.8 | -15 | 0 | 0 | 0 | 114.1 | G2001 E2005 L2338 | G2001-N2003 VanDerWaalsContact C-N 3.27Å; G2001-N2003 PolarHBondContact O-N 3Å; G2001-N2003 VanDerWaalsContact O-N 3.14Å; N2003-E2005 VanDerWaalsContact C-N 3.27Å; N2003-E2005 HydrophobicContact CB-CG 4.04Å; N2003-E2005 WeakPolarHBondContact CB-OE1 3.39Å; N2003-E2005 PolarHBondContact ND2-OE1 3.17Å; N2003-E2005 PolarHBondContact O-N 3.2Å; N2003-L2338 WeakPolarHBondContact O-CD2 3.5Å; N2003-L2338 WeakPolarHBondContact O-CG 3.45Å |
| 2004 | G | 76.6 | Confident | 85.2 | Confident | 7 Ų | 7 | 39.8 Ų | 39.8 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 78.6 | 4.5 | -166.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G2001 E2002 Q2040 N2044 L2338 | G2001-G2004 WeakPolarHBondContact O-CA 3.36Å; G2001-G2004 PolarHBondContact O-N 3.21Å; E2002-G2004 VanDerWaalsContact C-N 3.29Å; E2002-G2004 PolarHBondContact O-N 3.28Å; G2004-Q2040 WeakPolarHBondContact O-CG 3.36Å; G2004-Q2040 PolarHBondContact O-NE2 3.11Å; G2004-N2044 PolarHBondContact O-ND2 3.16Å; G2004-N2044 VanDerWaalsContact O-ND2 3.15Å; G2004-L2338 VanDerWaalsContact CA-CD2 3.41Å |
| 2005 | E | 81.5 | Confident | 85.2 | Confident | 86.4 Ų | 86.4 | 41 Ų | 41 | 40% | 0.404 | 23% | 0.226 | S | C | . | . | trans | -67.6 | 147.7 | 178.5 | -74.7 | 174.9 | -127.5 | 0 | 0 | 112 | G2001 N2003 P2007 N2044 | G2001-E2005 PolarHBondContact N-O 3.07Å; N2003-E2005 VanDerWaalsContact C-N 3.27Å; N2003-E2005 HydrophobicContact CB-CG 4.04Å; N2003-E2005 WeakPolarHBondContact CB-OE1 3.39Å; N2003-E2005 PolarHBondContact ND2-OE1 3.17Å; N2003-E2005 PolarHBondContact O-N 3.2Å; E2005-P2007 VanDerWaalsContact C-CD 3.47Å; E2005-P2007 VanDerWaalsContact O-CD 3.24Å; E2005-P2007 WeakPolarHBondContact O-CD 3.36Å; E2005-N2044 WeakPolarHBondContact CA-OD1 3.35Å | ||
| 2006 | L | 88 | Confident | 85.1 | Confident | 0.4 Ų | 0.4 | 40 Ų | 40 | 0% | 0.002 | 21% | 0.213 | C | C | . | . | trans | -111 | 77 | 177.8 | -64.1 | 171.7 | 0 | 0 | 0 | 110.4 | V2000 I2008 A2009 M2010 F2032 Q2040 L2041 N2044 | V2000-L2006 HydrophobicContact CG2-CD2 3.96Å; L2006-I2008 VanDerWaalsContact C-N 3.35Å; L2006-I2008 PolarHBondContact O-N 3.11Å; L2006-A2009 HydrophobicContact CB-CB 4.04Å; L2006-A2009 PolarHBondContact O-N 3.34Å; L2006-M2010 HydrophobicContact CB-CG 4.43Å; L2006-M2010 VanDerWaalsContact O-CB 3.3Å; L2006-M2010 WeakPolarHBondContact O-CB 3.32Å; L2006-M2010 VanDerWaalsContact O-CG 3.27Å; L2006-M2010 WeakPolarHBondContact O-CG 3.32Å; L2006-M2010 PolarHBondContact O-N 3.22Å; L2006-F2032 HydrophobicContact CD1-CD1 4.29Å; L2006-F2032 HydrophobicContact CD1-CE1 3.51Å; L2006-F2032 VanDerWaalsContact CD1-CE1 3.41Å; L2006-F2032 HydrophobicContact CD1-CZ 4.03Å; L2006-F2032 HydrophobicContact CD2-CE1 3.78Å; L2006-F2032 HydrophobicContact CD2-CZ 4.26Å; L2006-F2032 HydrophobicContact CG-CE1 4.26Å; L2006-F2032 HydrophobicContact CG-CZ 4.5Å; L2006-Q2040 HydrophobicContact CD1-CB 4.38Å; L2006-Q2040 HydrophobicContact CD1-CG 4.28Å; L2006-Q2040 HydrophobicContact CD2-CG 4.41Å; L2006-Q2040 HydrophobicContact CG-CG 4.34Å; L2006-L2041 HydrophobicContact CD1-CB 4.33Å; L2006-L2041 HydrophobicContact CD1-CD1 4.41Å; L2006-N2044 HydrophobicContact CD1-CB 4.34Å; L2006-N2044 PolarHBondContact N-OD1 3.1Å; L2006-N2044 VanDerWaalsContact N-OD1 3.08Å | ||
| 2007 | P | 85.3 | Confident | 84.8 | Confident | 25.2 Ų | 25.2 | 40.3 Ų | 40.3 | 16% | 0.164 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60 | -44.3 | -163.8 | 21.2 | -33.5 | 0 | 0 | 0 | 113.8 | M1999 E2005 A2011 L2431 P2444 | M1999-P2007 HydrophobicContact CE-CG 4.23Å; E2005-P2007 VanDerWaalsContact C-CD 3.47Å; E2005-P2007 VanDerWaalsContact O-CD 3.24Å; E2005-P2007 WeakPolarHBondContact O-CD 3.36Å; P2007-A2011 VanDerWaalsContact O-CB 3.29Å; P2007-A2011 WeakPolarHBondContact O-CB 3.35Å; P2007-A2011 PolarHBondContact O-N 3.05Å; P2007-L2431 HydrophobicContact CB-CD2 4.35Å; P2007-P2444 HydrophobicContact CG-CG 4.46Å |
| 2008 | I | 87.7 | Confident | 84.5 | Confident | 13.2 Ų | 13.2 | 44.1 Ų | 44.1 | 7% | 0.068 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -71 | -44.5 | 179.9 | -59.7 | -162.1 | 0 | 0 | 0 | 111 | L1996 V1997 M1999 L2006 M2010 A2011 L2012 L2420 P2444 M2448 | L1996-I2008 HydrophobicContact CB-CD1 4.33Å; L1996-I2008 HydrophobicContact CD2-CD1 3.82Å; L1996-I2008 HydrophobicContact CG-CD1 3.75Å; L1996-I2008 WeakPolarHBondContact O-CG1 3.38Å; V1997-I2008 HydrophobicContact CG2-CG2 4.12Å; M1999-I2008 HydrophobicContact CE-CG1 4.42Å; L2006-I2008 VanDerWaalsContact C-N 3.35Å; L2006-I2008 PolarHBondContact O-N 3.11Å; I2008-M2010 PolarHBondContact O-N 3.16Å; I2008-A2011 PolarHBondContact O-N 2.96Å; I2008-L2012 HydrophobicContact CG2-CD1 4.3Å; I2008-L2012 VanDerWaalsContact O-CB 3.31Å; I2008-L2012 WeakPolarHBondContact O-CB 3.32Å; I2008-L2012 VanDerWaalsContact O-CG 3.3Å; I2008-L2012 WeakPolarHBondContact O-CG 3.29Å; I2008-L2012 PolarHBondContact O-N 3.05Å; I2008-L2420 HydrophobicContact CG2-CD2 4.08Å; I2008-P2444 HydrophobicContact CD1-CB 4.16Å; I2008-P2444 HydrophobicContact CG1-CB 4.39Å; I2008-M2448 HydrophobicContact CD1-CB 4.3Å; I2008-M2448 HydrophobicContact CD1-SD 4.17Å; I2008-M2448 HydrophobicContact CG2-SD 4.11Å |
| 2009 | A | 89.8 | Confident | 84 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L2006 L2012 T2013 L2028 F2032 L2041 | L2006-A2009 HydrophobicContact CB-CB 4.04Å; L2006-A2009 PolarHBondContact O-N 3.34Å; A2009-L2012 WeakPolarHBondContact O-CB 3.28Å; A2009-L2012 PolarHBondContact O-N 3.22Å; A2009-T2013 WeakPolarHBondContact O-CG2 3.37Å; A2009-T2013 PolarHBondContact O-N 3.29Å; A2009-T2013 PolarHBondContact O-OG1 3.29Å; A2009-L2028 HydrophobicContact CB-CD2 4.25Å; A2009-F2032 HydrophobicContact CB-CE2 4.23Å; A2009-F2032 HydrophobicContact CB-CZ 3.98Å; A2009-L2041 HydrophobicContact CB-CD1 4.32Å |
| 2010 | M | 88.7 | Confident | 83.9 | Confident | 20.6 Ų | 20.6 | 49.2 Ų | 49.2 | 10% | 0.101 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.6 | -38.4 | 177.8 | -69.6 | -56.1 | -72.1 | 0 | 0 | 112.2 | L2006 I2008 L2012 T2013 Q2014 N2044 V2045 K2048 | L2006-M2010 HydrophobicContact CB-CG 4.43Å; L2006-M2010 VanDerWaalsContact O-CB 3.3Å; L2006-M2010 WeakPolarHBondContact O-CB 3.32Å; L2006-M2010 VanDerWaalsContact O-CG 3.27Å; L2006-M2010 WeakPolarHBondContact O-CG 3.32Å; L2006-M2010 PolarHBondContact O-N 3.22Å; I2008-M2010 PolarHBondContact O-N 3.16Å; M2010-L2012 VanDerWaalsContact C-N 3.26Å; M2010-L2012 PolarHBondContact O-N 3Å; M2010-T2013 PolarHBondContact O-N 3.31Å; M2010-T2013 VanDerWaalsContact O-N 3.13Å; M2010-T2013 PolarHBondContact O-OG1 3.2Å; M2010-Q2014 VanDerWaalsContact O-CG 3.29Å; M2010-Q2014 WeakPolarHBondContact O-CG 3.34Å; M2010-Q2014 PolarHBondContact O-N 3.16Å; M2010-N2044 HydrophobicContact CE-CB 4.49Å; M2010-N2044 VanDerWaalsContact CE-O 3.27Å; M2010-N2044 WeakPolarHBondContact CE-O 3.38Å; M2010-N2044 HydrophobicContact CG-CB 4.18Å; M2010-N2044 HydrophobicContact SD-CB 3.79Å; M2010-V2045 HydrophobicContact SD-CB 4.44Å; M2010-V2045 HydrophobicContact SD-CG2 3.73Å; M2010-K2048 HydrophobicContact CE-CB 3.76Å; M2010-K2048 HydrophobicContact CE-CD 4.13Å; M2010-K2048 HydrophobicContact CE-CG 4.04Å |
| 2011 | A | 87.8 | Confident | 83.9 | Confident | 9.6 Ų | 9.6 | 47.3 Ų | 47.3 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.7 | -46 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P2007 I2008 T2013 Q2014 V2015 I2427 Y2430 L2431 | P2007-A2011 VanDerWaalsContact O-CB 3.29Å; P2007-A2011 WeakPolarHBondContact O-CB 3.35Å; P2007-A2011 PolarHBondContact O-N 3.05Å; I2008-A2011 PolarHBondContact O-N 2.96Å; A2011-T2013 VanDerWaalsContact C-N 3.32Å; A2011-T2013 PolarHBondContact O-N 3.16Å; A2011-Q2014 PolarHBondContact O-N 3.14Å; A2011-Q2014 VanDerWaalsContact O-N 3.11Å; A2011-V2015 WeakPolarHBondContact O-CG1 3.37Å; A2011-V2015 VanDerWaalsContact O-CG2 3.24Å; A2011-V2015 WeakPolarHBondContact O-CG2 3.35Å; A2011-V2015 PolarHBondContact O-N 3.01Å; A2011-V2015 VanDerWaalsContact O-N 3.13Å; A2011-I2427 HydrophobicContact CB-CG2 4.03Å; A2011-Y2430 HydrophobicContact CB-CD1 3.53Å; A2011-Y2430 VanDerWaalsContact CB-CD1 3.47Å; A2011-Y2430 HydrophobicContact CB-CE1 4.02Å; A2011-Y2430 HydrophobicContact CB-CG 4.35Å; A2011-L2431 HydrophobicContact CB-CD1 4.43Å; A2011-L2431 HydrophobicContact CB-CD2 4.21Å; A2011-L2431 HydrophobicContact CB-CG 4.12Å |
| 2012 | L | 89.9 | Confident | 84.3 | Confident | 11 Ų | 11 | 50.7 Ų | 50.7 | 6% | 0.058 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.7 | -38.8 | 179 | -132 | 101.2 | 0 | 0 | 0 | 112.7 | I2008 A2009 M2010 Q2014 V2015 V2016 L2024 L2416 L2420 I2427 | I2008-L2012 HydrophobicContact CG2-CD1 4.3Å; I2008-L2012 VanDerWaalsContact O-CB 3.31Å; I2008-L2012 WeakPolarHBondContact O-CB 3.32Å; I2008-L2012 VanDerWaalsContact O-CG 3.3Å; I2008-L2012 WeakPolarHBondContact O-CG 3.29Å; I2008-L2012 PolarHBondContact O-N 3.05Å; A2009-L2012 WeakPolarHBondContact O-CB 3.28Å; A2009-L2012 PolarHBondContact O-N 3.22Å; M2010-L2012 VanDerWaalsContact C-N 3.26Å; M2010-L2012 PolarHBondContact O-N 3Å; L2012-Q2014 VanDerWaalsContact C-N 3.27Å; L2012-Q2014 PolarHBondContact O-N 3.25Å; L2012-V2015 HydrophobicContact CD1-CG2 4.46Å; L2012-V2016 HydrophobicContact CD1-CG2 3.67Å; L2012-V2016 HydrophobicContact CD2-CG2 3.88Å; L2012-V2016 HydrophobicContact CG-CG2 4.07Å; L2012-V2016 WeakPolarHBondContact O-CB 3.31Å; L2012-V2016 VanDerWaalsContact O-CG2 3.25Å; L2012-V2016 WeakPolarHBondContact O-CG2 3.44Å; L2012-V2016 PolarHBondContact O-N 3.24Å; L2012-L2024 HydrophobicContact CB-CD1 4.33Å; L2012-L2024 HydrophobicContact CB-CD2 4.2Å; L2012-L2024 HydrophobicContact CD1-CD1 4.34Å; L2012-L2024 HydrophobicContact CD2-CD1 3.7Å; L2012-L2024 VanDerWaalsContact CD2-CD1 3.49Å; L2012-L2024 HydrophobicContact CG-CD1 3.71Å; L2012-L2024 HydrophobicContact CG-CD2 4.13Å; L2012-L2024 WeakPolarHBondContact O-CD2 3.31Å; L2012-L2416 HydrophobicContact CD2-CD1 4.25Å; L2012-L2420 HydrophobicContact CD1-CD2 4.2Å; L2012-L2420 HydrophobicContact CD2-CD2 4.1Å; L2012-I2427 HydrophobicContact CD1-CD1 3.98Å |
| 2013 | T | 88.7 | Confident | 85.1 | Confident | 10.6 Ų | 10.6 | 44 Ų | 44 | 7% | 0.065 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.5 | -19.3 | 175.7 | 62.8 | 0 | 0 | 0 | 0 | 114.5 | A2009 M2010 A2011 L2024 L2028 V2045 M2065 | A2009-T2013 WeakPolarHBondContact O-CG2 3.37Å; A2009-T2013 PolarHBondContact O-N 3.29Å; A2009-T2013 PolarHBondContact O-OG1 3.29Å; M2010-T2013 PolarHBondContact O-N 3.31Å; M2010-T2013 VanDerWaalsContact O-N 3.13Å; M2010-T2013 PolarHBondContact O-OG1 3.2Å; A2011-T2013 VanDerWaalsContact C-N 3.32Å; A2011-T2013 PolarHBondContact O-N 3.16Å; T2013-L2024 HydrophobicContact CG2-CD2 4.49Å; T2013-L2028 HydrophobicContact CG2-CD1 3.86Å; T2013-V2045 HydrophobicContact CG2-CG2 4.2Å; T2013-M2065 HydrophobicContact CG2-CG 3.81Å; T2013-M2065 HydrophobicContact CG2-SD 4.47Å |
| 2014 | Q | 86.8 | Confident | 86.1 | Confident | 103.2 Ų | 103.2 | 39.9 Ų | 39.9 | 48% | 0.482 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -102.2 | -29.3 | -175.6 | -59.6 | -78.2 | -72 | 0 | 0 | 113.4 | M2010 A2011 L2012 Y2430 | M2010-Q2014 VanDerWaalsContact O-CG 3.29Å; M2010-Q2014 WeakPolarHBondContact O-CG 3.34Å; M2010-Q2014 PolarHBondContact O-N 3.16Å; A2011-Q2014 PolarHBondContact O-N 3.14Å; A2011-Q2014 VanDerWaalsContact O-N 3.11Å; L2012-Q2014 VanDerWaalsContact C-N 3.27Å; L2012-Q2014 PolarHBondContact O-N 3.25Å; Q2014-Y2430 HydrophobicContact CB-CD2 4.14Å; Q2014-Y2430 HydrophobicContact CB-CE2 3.79Å; Q2014-Y2430 HydrophobicContact CG-CE2 3.83Å |
| 2015 | V | 88.1 | Confident | 86.8 | Confident | 40.2 Ų | 40.2 | 39.6 Ų | 39.6 | 24% | 0.244 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -96.7 | -15.9 | -173.8 | -57 | 0 | 0 | 0 | 0 | 114.8 | A2011 L2012 N2423 K2426 I2427 Y2430 | A2011-V2015 WeakPolarHBondContact O-CG1 3.37Å; A2011-V2015 VanDerWaalsContact O-CG2 3.24Å; A2011-V2015 WeakPolarHBondContact O-CG2 3.35Å; A2011-V2015 PolarHBondContact O-N 3.01Å; A2011-V2015 VanDerWaalsContact O-N 3.13Å; L2012-V2015 HydrophobicContact CD1-CG2 4.46Å; V2015-N2423 HydrophobicContact CG2-CB 4.07Å; V2015-K2426 HydrophobicContact CB-CB 3.83Å; V2015-K2426 HydrophobicContact CB-CD 4.1Å; V2015-K2426 HydrophobicContact CG1-CB 3.95Å; V2015-K2426 HydrophobicContact CG2-CB 4.32Å; V2015-K2426 VanDerWaalsContact O-CD 3.31Å; V2015-K2426 WeakPolarHBondContact O-CD 3.32Å; V2015-K2426 PolarHBondContact O-NZ 2.81Å; V2015-I2427 HydrophobicContact CG2-CG1 3.77Å; V2015-Y2430 HydrophobicContact CG1-CG 4.34Å |
| 2016 | V | 86.5 | Confident | 87.2 | Confident | 16.6 Ų | 16.6 | 39.1 Ų | 39.1 | 10% | 0.101 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -77.9 | 136.7 | -176.7 | 168.8 | 0 | 0 | 0 | 0 | 111 | L2012 N2020 L2024 L2419 | L2012-V2016 HydrophobicContact CD1-CG2 3.67Å; L2012-V2016 HydrophobicContact CD2-CG2 3.88Å; L2012-V2016 HydrophobicContact CG-CG2 4.07Å; L2012-V2016 WeakPolarHBondContact O-CB 3.31Å; L2012-V2016 VanDerWaalsContact O-CG2 3.25Å; L2012-V2016 WeakPolarHBondContact O-CG2 3.44Å; L2012-V2016 PolarHBondContact O-N 3.24Å; V2016-N2020 HydrophobicContact CG1-CB 3.64Å; V2016-L2024 HydrophobicContact CB-CD2 4.06Å; V2016-L2024 HydrophobicContact CG1-CD2 4.27Å; V2016-L2024 HydrophobicContact CG2-CD2 4.02Å; V2016-L2419 HydrophobicContact CG1-CD2 4.49Å |
| 2017 | S | 84.1 | Confident | 87.3 | Confident | 56.4 Ų | 56.4 | 39.7 Ų | 39.7 | 39% | 0.394 | 22% | 0.217 | S | C | . | . | trans | -66.5 | 150.1 | -179.8 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | N2019 N2020 M2021 | S2017-N2019 PolarHBondContact O-N 3.09Å; S2017-N2019 VanDerWaalsContact O-N 3.09Å; S2017-N2020 PolarHBondContact O-N 2.94Å; S2017-N2020 PolarHBondContact OG-OD1 2.8Å; S2017-M2021 PolarHBondContact O-N 3.28Å | ||
| 2018 | C | 82.3 | Confident | 87.7 | Confident | 90.2 Ų | 90.2 | 38.5 Ų | 38.5 | 61% | 0.609 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -49.7 | -37.7 | -178 | -57.3 | 0 | 0 | 0 | 0 | 113.8 | N2020 M2021 | C2018-N2020 VanDerWaalsContact C-N 3.3Å; C2018-N2020 PolarHBondContact O-N 3.21Å; C2018-N2020 VanDerWaalsContact O-N 3.15Å; C2018-M2021 HydrophobicContact CB-CE 4.28Å; C2018-M2021 HydrophobicContact CB-SD 4.27Å; C2018-M2021 WeakPolarHBondContact O-CB 3.45Å; C2018-M2021 WeakPolarHBondContact O-CG 3.35Å; C2018-M2021 PolarHBondContact O-N 3.29Å |
| 2019 | N | 78.9 | Confident | 87.8 | Confident | 132.4 Ų | 132.4 | 37.9 Ų | 37.9 | 71% | 0.708 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -62.8 | -26.3 | -179.8 | -58.4 | 18.4 | 0 | 0 | 0 | 113.4 | V1419 D1420 S2017 | V1419-N2019 PolarHBondContact O-ND2 2.66Å; D1420-N2019 PolarHBondContact N-ND2 2.64Å; S2017-N2019 PolarHBondContact O-N 3.09Å; S2017-N2019 VanDerWaalsContact O-N 3.09Å |
| 2020 | N | 84.8 | Confident | 87.8 | Confident | 56 Ų | 56 | 39.6 Ų | 39.6 | 30% | 0.299 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -104.7 | 3.1 | -174.5 | -64.9 | 23.1 | 0 | 0 | 0 | 112.4 | V2016 S2017 C2018 D2022 E2023 L2024 L2419 | V2016-N2020 HydrophobicContact CG1-CB 3.64Å; S2017-N2020 PolarHBondContact O-N 2.94Å; S2017-N2020 PolarHBondContact OG-OD1 2.8Å; C2018-N2020 VanDerWaalsContact C-N 3.3Å; C2018-N2020 PolarHBondContact O-N 3.21Å; C2018-N2020 VanDerWaalsContact O-N 3.15Å; N2020-D2022 VanDerWaalsContact C-N 3.34Å; N2020-D2022 PolarHBondContact O-N 2.97Å; N2020-E2023 PolarHBondContact O-N 3.02Å; N2020-L2024 WeakPolarHBondContact O-CB 3.41Å; N2020-L2024 PolarHBondContact O-N 3.11Å; N2020-L2419 HydrophobicContact CB-CD2 4.16Å |
| 2021 | M | 86.4 | Confident | 87.9 | Confident | 26 Ų | 26 | 39.1 Ų | 39.1 | 13% | 0.128 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.5 | -36.4 | -176 | -65.7 | -174 | -143.4 | 0 | 0 | 113.1 | S2017 C2018 E2023 L2024 A2025 M2065 K2068 | S2017-M2021 PolarHBondContact O-N 3.28Å; C2018-M2021 HydrophobicContact CB-CE 4.28Å; C2018-M2021 HydrophobicContact CB-SD 4.27Å; C2018-M2021 WeakPolarHBondContact O-CB 3.45Å; C2018-M2021 WeakPolarHBondContact O-CG 3.35Å; C2018-M2021 PolarHBondContact O-N 3.29Å; M2021-E2023 VanDerWaalsContact C-N 3.33Å; M2021-L2024 PolarHBondContact O-N 3.22Å; M2021-A2025 VanDerWaalsContact O-CB 3.28Å; M2021-A2025 WeakPolarHBondContact O-CB 3.25Å; M2021-A2025 PolarHBondContact O-N 2.96Å; M2021-M2065 HydrophobicContact CB-CE 3.72Å; M2021-M2065 HydrophobicContact CB-SD 4.25Å; M2021-M2065 HydrophobicContact CE-CB 3.83Å; M2021-M2065 HydrophobicContact CE-CE 3.87Å; M2021-M2065 HydrophobicContact CG-CE 3.54Å; M2021-M2065 VanDerWaalsContact CG-CE 3.49Å; M2021-M2065 HydrophobicContact CG-SD 3.91Å; M2021-M2065 HydrophobicContact SD-CE 4.04Å; M2021-K2068 HydrophobicContact CB-CG 4.21Å |
| 2022 | D | 87 | Confident | 88.1 | Confident | 85.6 Ų | 85.6 | 38.6 Ų | 38.6 | 46% | 0.458 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.7 | -40.2 | 176.2 | -66.9 | -81.8 | 0 | 0 | 0 | 111.8 | N2020 A2025 R2026 K2068 | N2020-D2022 VanDerWaalsContact C-N 3.34Å; N2020-D2022 PolarHBondContact O-N 2.97Å; D2022-A2025 PolarHBondContact O-N 3.19Å; D2022-R2026 WeakPolarHBondContact O-CB 3.38Å; D2022-R2026 PolarHBondContact O-N 3.08Å; D2022-R2026 VanDerWaalsContact O-N 3.12Å; D2022-K2068 VanDerWaalsContact CG-CE 3.48Å; D2022-K2068 WeakPolarHBondContact OD1-CD 3.31Å; D2022-K2068 VanDerWaalsContact OD1-CE 3.31Å; D2022-K2068 WeakPolarHBondContact OD1-CE 3.31Å; D2022-K2068 IonicContact OD1-NZ 3.01Å; D2022-K2068 PolarHBondContact OD1-NZ 3.04Å; D2022-K2068 VanDerWaalsContact OD2-CE 3.23Å; D2022-K2068 WeakPolarHBondContact OD2-CE 3.32Å; D2022-K2068 IonicContact OD2-NZ 3.02Å; D2022-K2068 PolarHBondContact OD2-NZ 3.26Å |
| 2023 | E | 87.3 | Confident | 88 | Confident | 41.6 Ų | 41.6 | 38.7 Ų | 38.7 | 19% | 0.194 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.2 | -42.6 | 175.3 | -175.6 | 160.7 | -157.5 | 0 | 0 | 111.4 | N2020 M2021 A2025 R2026 V2027 A2415 R2418 L2419 Y2469 | N2020-E2023 PolarHBondContact O-N 3.02Å; M2021-E2023 VanDerWaalsContact C-N 3.33Å; E2023-A2025 VanDerWaalsContact C-N 3.32Å; E2023-A2025 PolarHBondContact O-N 3.34Å; E2023-R2026 WeakPolarHBondContact O-CB 3.36Å; E2023-R2026 PolarHBondContact O-N 3.24Å; E2023-R2026 IonicContact OE1-CZ 3.36Å; E2023-R2026 IonicContact OE1-NE 3.85Å; E2023-R2026 PolarHBondContact OE1-NE 3.18Å; E2023-R2026 IonicContact OE1-NH2 2.96Å; E2023-R2026 PolarHBondContact OE1-NH2 3.11Å; E2023-R2026 IonicContact OE2-CZ 2.94Å; E2023-R2026 IonicContact OE2-NE 2.82Å; E2023-R2026 PolarHBondContact OE2-NE 3.24Å; E2023-R2026 IonicContact OE2-NH2 2.7Å; E2023-V2027 HydrophobicContact CG-CG2 4.3Å; E2023-V2027 WeakPolarHBondContact O-CB 3.2Å; E2023-V2027 VanDerWaalsContact O-CG2 3.3Å; E2023-V2027 WeakPolarHBondContact O-CG2 3.36Å; E2023-V2027 PolarHBondContact O-N 3.37Å; E2023-A2415 HydrophobicContact CG-CB 4.43Å; E2023-A2415 WeakPolarHBondContact OE1-CB 3.39Å; E2023-R2418 IonicContact OE1-CZ 2.9Å; E2023-R2418 IonicContact OE1-NH1 3.9Å; E2023-R2418 IonicContact OE1-NH2 3.31Å; E2023-R2418 PolarHBondContact OE1-NH2 3.18Å; E2023-R2418 IonicContact OE2-CZ 3.01Å; E2023-R2418 IonicContact OE2-NH2 3.64Å; E2023-R2418 PolarHBondContact OE2-NH2 3.28Å; E2023-L2419 HydrophobicContact CG-CD1 4.34Å; E2023-Y2469 HydrophobicContact CB-CE1 3.79Å; E2023-Y2469 VanDerWaalsContact CD-OH 3.32Å; E2023-Y2469 HydrophobicContact CG-CE1 3.62Å; E2023-Y2469 PolarHBondContact OE1-OH 3.48Å |
| 2024 | L | 91.8 | Very high | 87.8 | Confident | 4.8 Ų | 4.8 | 39.7 Ų | 39.7 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 176.1 | -178.1 | 65 | 0 | 0 | 0 | 111.7 | L2012 T2013 V2016 N2020 M2021 R2026 V2027 L2028 M2065 L2419 | L2012-L2024 HydrophobicContact CB-CD1 4.33Å; L2012-L2024 HydrophobicContact CB-CD2 4.2Å; L2012-L2024 HydrophobicContact CD1-CD1 4.34Å; L2012-L2024 HydrophobicContact CD2-CD1 3.7Å; L2012-L2024 VanDerWaalsContact CD2-CD1 3.49Å; L2012-L2024 HydrophobicContact CG-CD1 3.71Å; L2012-L2024 HydrophobicContact CG-CD2 4.13Å; L2012-L2024 WeakPolarHBondContact O-CD2 3.31Å; T2013-L2024 HydrophobicContact CG2-CD2 4.49Å; V2016-L2024 HydrophobicContact CB-CD2 4.06Å; V2016-L2024 HydrophobicContact CG1-CD2 4.27Å; V2016-L2024 HydrophobicContact CG2-CD2 4.02Å; N2020-L2024 WeakPolarHBondContact O-CB 3.41Å; N2020-L2024 PolarHBondContact O-N 3.11Å; M2021-L2024 PolarHBondContact O-N 3.22Å; L2024-R2026 VanDerWaalsContact C-N 3.32Å; L2024-R2026 PolarHBondContact O-N 3.1Å; L2024-V2027 PolarHBondContact O-N 3.26Å; L2024-V2027 VanDerWaalsContact O-N 3.14Å; L2024-L2028 HydrophobicContact CD1-CD1 3.95Å; L2024-L2028 HydrophobicContact CD1-CD2 4.37Å; L2024-L2028 HydrophobicContact CD1-CG 3.84Å; L2024-L2028 HydrophobicContact CD2-CD1 4.22Å; L2024-L2028 HydrophobicContact CG-CD1 3.79Å; L2024-L2028 HydrophobicContact CG-CG 4.1Å; L2024-L2028 WeakPolarHBondContact O-CB 3.45Å; L2024-L2028 WeakPolarHBondContact O-CG 3.31Å; L2024-L2028 PolarHBondContact O-N 3.11Å; L2024-M2065 HydrophobicContact CB-CE 4.26Å; L2024-M2065 HydrophobicContact CB-SD 4.5Å; L2024-M2065 HydrophobicContact CD2-CE 3.69Å; L2024-M2065 HydrophobicContact CD2-SD 4.14Å; L2024-M2065 HydrophobicContact CG-CE 4.15Å; L2024-M2065 HydrophobicContact CG-SD 4.43Å; L2024-L2419 HydrophobicContact CB-CD1 4.38Å; L2024-L2419 HydrophobicContact CD1-CD1 4.21Å |
| 2025 | A | 91.5 | Very high | 87.8 | Confident | 0.8 Ų | 0.8 | 38.8 Ų | 38.8 | 1% | 0.007 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.8 | -43.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M2021 D2022 E2023 V2027 V2029 M2065 K2068 I2069 | M2021-A2025 VanDerWaalsContact O-CB 3.28Å; M2021-A2025 WeakPolarHBondContact O-CB 3.25Å; M2021-A2025 PolarHBondContact O-N 2.96Å; D2022-A2025 PolarHBondContact O-N 3.19Å; E2023-A2025 VanDerWaalsContact C-N 3.32Å; E2023-A2025 PolarHBondContact O-N 3.34Å; A2025-V2027 VanDerWaalsContact C-N 3.34Å; A2025-V2027 PolarHBondContact O-N 2.99Å; A2025-V2029 WeakPolarHBondContact O-CB 3.33Å; A2025-V2029 VanDerWaalsContact O-CG2 3.3Å; A2025-V2029 WeakPolarHBondContact O-CG2 3.4Å; A2025-V2029 PolarHBondContact O-N 3.07Å; A2025-V2029 VanDerWaalsContact O-N 3.12Å; A2025-M2065 HydrophobicContact CB-CE 3.94Å; A2025-M2065 HydrophobicContact CB-SD 4.4Å; A2025-K2068 HydrophobicContact CB-CB 3.85Å; A2025-I2069 HydrophobicContact CB-CG1 3.81Å |
| 2026 | R | 89.8 | Confident | 87.7 | Confident | 76.2 Ų | 76.2 | 42.4 Ų | 42.4 | 29% | 0.288 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.8 | -49.9 | 172.3 | -177.5 | -172.2 | 71 | 87.3 | -1.5 | 111.6 | D2022 E2023 L2024 V2029 T2030 Y2072 L2412 Y2469 | D2022-R2026 WeakPolarHBondContact O-CB 3.38Å; D2022-R2026 PolarHBondContact O-N 3.08Å; D2022-R2026 VanDerWaalsContact O-N 3.12Å; E2023-R2026 WeakPolarHBondContact O-CB 3.36Å; E2023-R2026 PolarHBondContact O-N 3.24Å; E2023-R2026 IonicContact OE1-CZ 3.36Å; E2023-R2026 IonicContact OE1-NE 3.85Å; E2023-R2026 PolarHBondContact OE1-NE 3.18Å; E2023-R2026 IonicContact OE1-NH2 2.96Å; E2023-R2026 PolarHBondContact OE1-NH2 3.11Å; E2023-R2026 IonicContact OE2-CZ 2.94Å; E2023-R2026 IonicContact OE2-NE 2.82Å; E2023-R2026 PolarHBondContact OE2-NE 3.24Å; E2023-R2026 IonicContact OE2-NH2 2.7Å; L2024-R2026 VanDerWaalsContact C-N 3.32Å; L2024-R2026 PolarHBondContact O-N 3.1Å; R2026-V2029 PolarHBondContact O-N 2.92Å; R2026-T2030 VanDerWaalsContact O-CB 3.31Å; R2026-T2030 WeakPolarHBondContact O-CB 3.39Å; R2026-T2030 PolarHBondContact O-N 3.33Å; R2026-T2030 VanDerWaalsContact O-N 3.1Å; R2026-T2030 PolarHBondContact O-OG1 2.9Å; R2026-Y2072 HydrophobicContact CB-CD2 4.38Å; R2026-Y2072 HydrophobicContact CB-CE1 4.48Å; R2026-Y2072 HydrophobicContact CB-CE2 4.15Å; R2026-Y2072 HydrophobicContact CG-CD2 4.47Å; R2026-Y2072 HydrophobicContact CG-CE1 4.39Å; R2026-Y2072 HydrophobicContact CG-CE2 3.88Å; R2026-L2412 HydrophobicContact CG-CD2 4.16Å; R2026-L2412 VanDerWaalsContact CZ-CD2 3.5Å; R2026-L2412 VanDerWaalsContact NH1-CD2 3.3Å; R2026-Y2469 PolarHBondContact NH2-OH 3Å |
| 2027 | V | 90.8 | Very high | 87.8 | Confident | 12.6 Ų | 12.6 | 44 Ų | 44 | 8% | 0.076 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.8 | -52.3 | -179.6 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | E2023 L2024 A2025 V2029 T2030 L2031 L2412 A2415 L2416 L2419 | E2023-V2027 HydrophobicContact CG-CG2 4.3Å; E2023-V2027 WeakPolarHBondContact O-CB 3.2Å; E2023-V2027 VanDerWaalsContact O-CG2 3.3Å; E2023-V2027 WeakPolarHBondContact O-CG2 3.36Å; E2023-V2027 PolarHBondContact O-N 3.37Å; L2024-V2027 PolarHBondContact O-N 3.26Å; L2024-V2027 VanDerWaalsContact O-N 3.14Å; A2025-V2027 VanDerWaalsContact C-N 3.34Å; A2025-V2027 PolarHBondContact O-N 2.99Å; V2027-V2029 PolarHBondContact O-N 3.04Å; V2027-T2030 PolarHBondContact O-N 2.9Å; V2027-L2031 VanDerWaalsContact O-CB 3.25Å; V2027-L2031 WeakPolarHBondContact O-CB 3.36Å; V2027-L2031 PolarHBondContact O-N 2.97Å; V2027-L2412 HydrophobicContact CB-CD1 4.36Å; V2027-L2412 HydrophobicContact CB-CD2 4.43Å; V2027-L2412 HydrophobicContact CB-CG 4.49Å; V2027-L2412 HydrophobicContact CG1-CG 4.46Å; V2027-L2412 HydrophobicContact CG2-CD1 3.96Å; V2027-L2412 HydrophobicContact CG2-CD2 3.9Å; V2027-L2412 HydrophobicContact CG2-CG 4.21Å; V2027-A2415 HydrophobicContact CG2-CB 3.97Å; V2027-L2416 HydrophobicContact CG1-CB 3.97Å; V2027-L2416 HydrophobicContact CG1-CD1 4.02Å; V2027-L2416 HydrophobicContact CG1-CG 4.47Å; V2027-L2419 HydrophobicContact CG2-CD1 4.41Å |
| 2028 | L | 92.2 | Very high | 88.1 | Confident | 0.4 Ų | 0.4 | 41.8 Ų | 41.8 | 0% | 0.002 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.8 | -46.9 | -177.5 | -69.4 | 176.1 | 0 | 0 | 0 | 112.1 | A2009 T2013 L2024 T2030 L2031 F2032 L2041 M2065 I2069 | A2009-L2028 HydrophobicContact CB-CD2 4.25Å; T2013-L2028 HydrophobicContact CG2-CD1 3.86Å; L2024-L2028 HydrophobicContact CD1-CD1 3.95Å; L2024-L2028 HydrophobicContact CD1-CD2 4.37Å; L2024-L2028 HydrophobicContact CD1-CG 3.84Å; L2024-L2028 HydrophobicContact CD2-CD1 4.22Å; L2024-L2028 HydrophobicContact CG-CD1 3.79Å; L2024-L2028 HydrophobicContact CG-CG 4.1Å; L2024-L2028 WeakPolarHBondContact O-CB 3.45Å; L2024-L2028 WeakPolarHBondContact O-CG 3.31Å; L2024-L2028 PolarHBondContact O-N 3.11Å; L2028-T2030 PolarHBondContact O-N 3.18Å; L2028-L2031 PolarHBondContact O-N 2.92Å; L2028-F2032 HydrophobicContact CD2-CD2 4.46Å; L2028-F2032 HydrophobicContact CD2-CE2 4.05Å; L2028-F2032 WeakPolarHBondContact O-CB 3.34Å; L2028-F2032 VanDerWaalsContact O-CD2 3.28Å; L2028-F2032 WeakPolarHBondContact O-CD2 3.25Å; L2028-F2032 PolarHBondContact O-N 2.93Å; L2028-L2041 HydrophobicContact CB-CD1 4.44Å; L2028-L2041 HydrophobicContact CB-CD2 3.96Å; L2028-L2041 HydrophobicContact CD1-CD1 4.48Å; L2028-M2065 HydrophobicContact CD1-CE 4.23Å; L2028-I2069 HydrophobicContact CD1-CD1 4.5Å |
| 2029 | V | 91.7 | Very high | 88.3 | Confident | 0.4 Ų | 0.4 | 39.5 Ų | 39.5 | 0% | 0.002 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -45.8 | -179 | 171 | 0 | 0 | 0 | 0 | 111.2 | A2025 R2026 V2027 L2031 D2033 L2038 I2069 Y2072 C2073 F2077 | A2025-V2029 WeakPolarHBondContact O-CB 3.33Å; A2025-V2029 VanDerWaalsContact O-CG2 3.3Å; A2025-V2029 WeakPolarHBondContact O-CG2 3.4Å; A2025-V2029 PolarHBondContact O-N 3.07Å; A2025-V2029 VanDerWaalsContact O-N 3.12Å; R2026-V2029 PolarHBondContact O-N 2.92Å; V2027-V2029 PolarHBondContact O-N 3.04Å; V2029-L2031 VanDerWaalsContact C-N 3.33Å; V2029-L2031 PolarHBondContact O-N 3.27Å; V2029-D2033 WeakPolarHBondContact O-CB 3.32Å; V2029-D2033 PolarHBondContact O-N 3.09Å; V2029-L2038 HydrophobicContact CB-CD1 4.49Å; V2029-L2038 HydrophobicContact CG1-CD1 4.11Å; V2029-L2038 HydrophobicContact CG1-CD2 4.09Å; V2029-L2038 WeakPolarHBondContact O-CD2 3.17Å; V2029-I2069 HydrophobicContact CG2-CB 4.44Å; V2029-I2069 HydrophobicContact CG2-CG1 4.35Å; V2029-I2069 HydrophobicContact CG2-CG2 3.82Å; V2029-Y2072 HydrophobicContact CB-CD1 3.64Å; V2029-Y2072 HydrophobicContact CB-CE1 3.78Å; V2029-Y2072 HydrophobicContact CG1-CD1 3.73Å; V2029-Y2072 HydrophobicContact CG1-CE1 3.73Å; V2029-Y2072 HydrophobicContact CG2-CD1 4Å; V2029-C2073 VanDerWaalsContact CG1-SG 3.6Å; V2029-F2077 HydrophobicContact CG1-CE2 4.01Å; V2029-F2077 HydrophobicContact CG1-CZ 4.02Å |
| 2030 | T | 89.3 | Confident | 88.8 | Confident | 37.4 Ų | 37.4 | 34.8 Ų | 34.8 | 23% | 0.229 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.7 | -38.6 | 179.5 | -52.9 | 0 | 0 | 0 | 0 | 111.8 | R2026 V2027 L2028 A2034 Y2072 L2412 | R2026-T2030 VanDerWaalsContact O-CB 3.31Å; R2026-T2030 WeakPolarHBondContact O-CB 3.39Å; R2026-T2030 PolarHBondContact O-N 3.33Å; R2026-T2030 VanDerWaalsContact O-N 3.1Å; R2026-T2030 PolarHBondContact O-OG1 2.9Å; V2027-T2030 PolarHBondContact O-N 2.9Å; L2028-T2030 PolarHBondContact O-N 3.18Å; T2030-A2034 VanDerWaalsContact O-CB 3.26Å; T2030-A2034 WeakPolarHBondContact O-CB 3.37Å; T2030-A2034 PolarHBondContact O-N 2.93Å; T2030-A2034 VanDerWaalsContact O-N 3.12Å; T2030-Y2072 PolarHBondContact OG1-OH 3.14Å; T2030-Y2072 VanDerWaalsContact OG1-OH 3.09Å; T2030-L2412 HydrophobicContact CG2-CD1 4.15Å; T2030-L2412 HydrophobicContact CG2-CD2 3.79Å |
| 2031 | L | 90.2 | Very high | 89.1 | Confident | 8.2 Ų | 8.2 | 32.2 Ų | 32.2 | 4% | 0.043 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.5 | -46.2 | 179.6 | -168.1 | 73.9 | 0 | 0 | 0 | 112.5 | V1994 V1997 T1998 V2027 L2028 V2029 A2034 K2035 I2408 L2412 L2416 | V1994-L2031 HydrophobicContact CB-CD1 4.45Å; V1994-L2031 HydrophobicContact CG1-CD1 3.85Å; V1994-L2031 HydrophobicContact CG1-CD2 4.32Å; V1994-L2031 HydrophobicContact CG1-CG 4.21Å; V1994-L2031 HydrophobicContact CG2-CD1 3.89Å; V1997-L2031 HydrophobicContact CB-CD2 4.34Å; V1997-L2031 HydrophobicContact CG1-CD2 3.8Å; T1998-L2031 HydrophobicContact CG2-CD2 3.91Å; T1998-L2031 HydrophobicContact CG2-CG 4.1Å; V2027-L2031 VanDerWaalsContact O-CB 3.25Å; V2027-L2031 WeakPolarHBondContact O-CB 3.36Å; V2027-L2031 PolarHBondContact O-N 2.97Å; L2028-L2031 PolarHBondContact O-N 2.92Å; V2029-L2031 VanDerWaalsContact C-N 3.33Å; V2029-L2031 PolarHBondContact O-N 3.27Å; L2031-A2034 PolarHBondContact O-N 3.1Å; L2031-K2035 PolarHBondContact O-N 3.1Å; L2031-K2035 VanDerWaalsContact O-N 3.11Å; L2031-I2408 HydrophobicContact CD1-CD1 3.66Å; L2031-I2408 HydrophobicContact CD1-CG1 4.17Å; L2031-I2408 HydrophobicContact CD1-CG2 4.16Å; L2031-I2408 HydrophobicContact CG-CD1 4.27Å; L2031-L2412 HydrophobicContact CB-CD2 4.41Å; L2031-L2416 HydrophobicContact CD1-CD2 4.1Å; L2031-L2416 HydrophobicContact CD2-CD2 4.06Å |
| 2032 | F | 91.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -77.6 | -26.4 | -178.2 | -79.9 | -102.3 | 0 | 0 | 0 | 112.6 | V1997 T1998 L2006 A2009 L2028 Q2036 L2037 L2038 L2041 | V1997-F2032 HydrophobicContact CG1-CE2 4.47Å; T1998-F2032 HydrophobicContact CG2-CD2 4.33Å; T1998-F2032 HydrophobicContact CG2-CE1 4.23Å; T1998-F2032 HydrophobicContact CG2-CE2 4Å; T1998-F2032 HydrophobicContact CG2-CZ 3.94Å; L2006-F2032 HydrophobicContact CD1-CD1 4.29Å; L2006-F2032 HydrophobicContact CD1-CE1 3.51Å; L2006-F2032 VanDerWaalsContact CD1-CE1 3.41Å; L2006-F2032 HydrophobicContact CD1-CZ 4.03Å; L2006-F2032 HydrophobicContact CD2-CE1 3.78Å; L2006-F2032 HydrophobicContact CD2-CZ 4.26Å; L2006-F2032 HydrophobicContact CG-CE1 4.26Å; L2006-F2032 HydrophobicContact CG-CZ 4.5Å; A2009-F2032 HydrophobicContact CB-CE2 4.23Å; A2009-F2032 HydrophobicContact CB-CZ 3.98Å; L2028-F2032 HydrophobicContact CD2-CD2 4.46Å; L2028-F2032 HydrophobicContact CD2-CE2 4.05Å; L2028-F2032 WeakPolarHBondContact O-CB 3.34Å; L2028-F2032 VanDerWaalsContact O-CD2 3.28Å; L2028-F2032 WeakPolarHBondContact O-CD2 3.25Å; L2028-F2032 PolarHBondContact O-N 2.93Å; F2032-Q2036 CarbonylContact O-C 3.58Å; F2032-Q2036 PolarHBondContact O-N 3.07Å; F2032-Q2036 VanDerWaalsContact O-N 3.13Å; F2032-L2037 HydrophobicContact CD1-CB 3.65Å; F2032-L2037 HydrophobicContact CE1-CB 4.3Å; F2032-L2037 CarbonylContact O-C 3.58Å; F2032-L2037 PolarHBondContact O-N 3.12Å; F2032-L2038 HydrophobicContact CB-CD1 4.5Å; F2032-L2038 HydrophobicContact CB-CD2 4.33Å; F2032-L2038 PolarHBondContact O-N 3.21Å; F2032-L2038 VanDerWaalsContact O-N 3.15Å; F2032-L2041 HydrophobicContact CB-CB 4.15Å; F2032-L2041 HydrophobicContact CB-CD2 3.92Å; F2032-L2041 HydrophobicContact CD1-CB 3.83Å; F2032-L2041 HydrophobicContact CD2-CD1 4.38Å; F2032-L2041 HydrophobicContact CD2-CD2 4.09Å; F2032-L2041 HydrophobicContact CE1-CB 4.43Å; F2032-L2041 HydrophobicContact CE2-CD1 4.41Å; F2032-L2041 HydrophobicContact CG-CB 3.95Å; F2032-L2041 HydrophobicContact CG-CD1 4.49Å; F2032-L2041 HydrophobicContact CG-CD2 3.98Å; F2032-L2041 HydrophobicContact CG-CG 4.37Å |
| 2033 | D | 88.7 | Confident | 89.4 | Confident | 13.8 Ų | 13.8 | 28.1 Ų | 28.1 | 7% | 0.074 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.1 | -46.5 | 166.6 | -172.3 | 48 | 0 | 0 | 0 | 111 | V2029 K2035 Q2036 L2038 F2077 R2213 S2406 | V2029-D2033 WeakPolarHBondContact O-CB 3.32Å; V2029-D2033 PolarHBondContact O-N 3.09Å; D2033-K2035 VanDerWaalsContact C-N 3.31Å; D2033-K2035 PolarHBondContact O-N 3.07Å; D2033-Q2036 PolarHBondContact O-N 3.17Å; D2033-Q2036 PolarHBondContact O-NE2 2.99Å; D2033-Q2036 VanDerWaalsContact O-NE2 3.14Å; D2033-L2038 HydrophobicContact CB-CD1 3.93Å; D2033-L2038 HydrophobicContact CB-CD2 4.22Å; D2033-L2038 HydrophobicContact CB-CG 3.79Å; D2033-L2038 VanDerWaalsContact OD1-CD1 3.23Å; D2033-L2038 WeakPolarHBondContact OD1-CD1 3.37Å; D2033-F2077 HydrophobicContact CB-CZ 4.45Å; D2033-F2077 WeakPolarHBondContact OD2-CE1 3.35Å; D2033-F2077 WeakPolarHBondContact OD2-CZ 3.39Å; D2033-R2213 VanDerWaalsContact CG-NE 3.28Å; D2033-R2213 VanDerWaalsContact CG-NH2 3.33Å; D2033-R2213 IonicContact OD1-CZ 3.37Å; D2033-R2213 VanDerWaalsContact OD1-CZ 3.28Å; D2033-R2213 IonicContact OD1-NE 3.16Å; D2033-R2213 PolarHBondContact OD1-NE 3.08Å; D2033-R2213 IonicContact OD1-NH1 3.28Å; D2033-R2213 PolarHBondContact OD1-NH1 2.93Å; D2033-R2213 IonicContact OD1-NH2 2.93Å; D2033-R2213 PolarHBondContact OD1-NH2 3.15Å; D2033-R2213 IonicContact OD2-CZ 3.03Å; D2033-R2213 VanDerWaalsContact OD2-CZ 3.27Å; D2033-R2213 IonicContact OD2-NE 2.74Å; D2033-R2213 PolarHBondContact OD2-NE 2.89Å; D2033-R2213 IonicContact OD2-NH1 3.27Å; D2033-R2213 PolarHBondContact OD2-NH1 3Å; D2033-R2213 IonicContact OD2-NH2 3.32Å; D2033-R2213 PolarHBondContact OD2-NH2 2.9Å; D2033-S2406 VanDerWaalsContact C-OG 3.28Å; D2033-S2406 VanDerWaalsContact CB-OG 3.29Å; D2033-S2406 WeakPolarHBondContact CB-OG 3.36Å; D2033-S2406 VanDerWaalsContact OD2-CB 3.22Å; D2033-S2406 WeakPolarHBondContact OD2-CB 3.36Å; D2033-S2406 PolarHBondContact OD2-OG 3.01Å; D2033-S2406 VanDerWaalsContact OD2-OG 3.09Å |
| 2034 | A | 85.1 | Confident | 89.4 | Confident | 31.8 Ų | 31.8 | 27.2 Ų | 27.2 | 26% | 0.263 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -61.7 | -37.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | T2030 L2031 Q2036 S2406 I2408 | T2030-A2034 VanDerWaalsContact O-CB 3.26Å; T2030-A2034 WeakPolarHBondContact O-CB 3.37Å; T2030-A2034 PolarHBondContact O-N 2.93Å; T2030-A2034 VanDerWaalsContact O-N 3.12Å; L2031-A2034 PolarHBondContact O-N 3.1Å; A2034-Q2036 VanDerWaalsContact C-N 3.3Å; A2034-Q2036 PolarHBondContact O-N 2.99Å; A2034-S2406 VanDerWaalsContact CA-OG 3.31Å; A2034-S2406 WeakPolarHBondContact CA-OG 3.35Å; A2034-S2406 VanDerWaalsContact CB-O 3.28Å; A2034-S2406 WeakPolarHBondContact CB-O 3.36Å; A2034-S2406 PolarHBondContact N-OG 3.29Å; A2034-I2408 HydrophobicContact CB-CD1 4.01Å; A2034-I2408 HydrophobicContact CB-CG1 3.58Å; A2034-I2408 VanDerWaalsContact CB-CG1 3.42Å |
| 2035 | K | 85.7 | Confident | 89.3 | Confident | 84.4 Ų | 84.4 | 27.3 Ų | 27.3 | 37% | 0.367 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 7.4 | 174.8 | -67.4 | -67.8 | -171.2 | -179.6 | 0 | 114.1 | E1991 V1994 T1998 L2031 D2033 L2037 | E1991-K2035 IonicContact OE1-NZ 3.11Å; E1991-K2035 PolarHBondContact OE1-NZ 3.45Å; E1991-K2035 VanDerWaalsContact OE1-NZ 3.12Å; V1994-K2035 HydrophobicContact CG1-CD 4.46Å; V1994-K2035 HydrophobicContact CG1-CG 4.39Å; T1998-K2035 HydrophobicContact CG2-CB 4.4Å; T1998-K2035 HydrophobicContact CG2-CG 4.22Å; L2031-K2035 PolarHBondContact O-N 3.1Å; L2031-K2035 VanDerWaalsContact O-N 3.11Å; D2033-K2035 VanDerWaalsContact C-N 3.31Å; D2033-K2035 PolarHBondContact O-N 3.07Å; K2035-L2037 VanDerWaalsContact C-N 3.29Å; K2035-L2037 HydrophobicContact CB-CD1 4.41Å; K2035-L2037 HydrophobicContact CB-CG 4.37Å; K2035-L2037 PolarHBondContact O-N 3.19Å; K2035-L2037 VanDerWaalsContact O-N 3.13Å |
| 2036 | Q | 86.5 | Confident | 89.1 | Confident | 114.2 Ų | 114.2 | 27.3 Ų | 27.3 | 53% | 0.534 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 23.1 | -179 | -57.3 | -62.5 | -51.9 | 0 | 0 | 115.3 | F2032 D2033 A2034 | F2032-Q2036 CarbonylContact O-C 3.58Å; F2032-Q2036 PolarHBondContact O-N 3.07Å; F2032-Q2036 VanDerWaalsContact O-N 3.13Å; D2033-Q2036 PolarHBondContact O-N 3.17Å; D2033-Q2036 PolarHBondContact O-NE2 2.99Å; D2033-Q2036 VanDerWaalsContact O-NE2 3.14Å; A2034-Q2036 VanDerWaalsContact C-N 3.3Å; A2034-Q2036 PolarHBondContact O-N 2.99Å |
| 2037 | L | 88.5 | Confident | 88.9 | Confident | 51.2 Ų | 51.2 | 24.7 Ų | 24.7 | 27% | 0.268 | 14% | 0.136 | S | C | . | . | trans | -105 | 14.1 | -179.4 | -68 | 171.9 | 0 | 0 | 0 | 113.2 | V2000 F2032 K2035 C2039 Q2040 L2041 | V2000-L2037 HydrophobicContact CG2-CD1 4.14Å; V2000-L2037 HydrophobicContact CG2-CD2 4.23Å; F2032-L2037 HydrophobicContact CD1-CB 3.65Å; F2032-L2037 HydrophobicContact CE1-CB 4.3Å; F2032-L2037 CarbonylContact O-C 3.58Å; F2032-L2037 PolarHBondContact O-N 3.12Å; K2035-L2037 VanDerWaalsContact C-N 3.29Å; K2035-L2037 HydrophobicContact CB-CD1 4.41Å; K2035-L2037 HydrophobicContact CB-CG 4.37Å; K2035-L2037 PolarHBondContact O-N 3.19Å; K2035-L2037 VanDerWaalsContact O-N 3.13Å; L2037-C2039 VanDerWaalsContact C-N 3.31Å; L2037-C2039 PolarHBondContact O-N 2.93Å; L2037-Q2040 HydrophobicContact CB-CB 4.5Å; L2037-Q2040 WeakPolarHBondContact O-CA 3.38Å; L2037-Q2040 VanDerWaalsContact O-CB 3.22Å; L2037-Q2040 WeakPolarHBondContact O-CB 3.36Å; L2037-Q2040 PolarHBondContact O-N 3.09Å; L2037-Q2040 VanDerWaalsContact O-N 3.1Å; L2037-L2041 PolarHBondContact O-N 3.24Å; L2037-L2041 VanDerWaalsContact O-N 3.11Å | ||
| 2038 | L | 89.5 | Confident | 88.5 | Confident | 10.6 Ų | 10.6 | 27.8 Ų | 27.8 | 6% | 0.055 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55 | -41.9 | -176.4 | -140.6 | 104.8 | 0 | 0 | 0 | 113.5 | V2029 F2032 D2033 Q2040 L2041 F2042 F2077 R2213 | V2029-L2038 HydrophobicContact CB-CD1 4.49Å; V2029-L2038 HydrophobicContact CG1-CD1 4.11Å; V2029-L2038 HydrophobicContact CG1-CD2 4.09Å; V2029-L2038 WeakPolarHBondContact O-CD2 3.17Å; F2032-L2038 HydrophobicContact CB-CD1 4.5Å; F2032-L2038 HydrophobicContact CB-CD2 4.33Å; F2032-L2038 PolarHBondContact O-N 3.21Å; F2032-L2038 VanDerWaalsContact O-N 3.15Å; D2033-L2038 HydrophobicContact CB-CD1 3.93Å; D2033-L2038 HydrophobicContact CB-CD2 4.22Å; D2033-L2038 HydrophobicContact CB-CG 3.79Å; D2033-L2038 VanDerWaalsContact OD1-CD1 3.23Å; D2033-L2038 WeakPolarHBondContact OD1-CD1 3.37Å; L2038-Q2040 VanDerWaalsContact C-N 3.27Å; L2038-Q2040 PolarHBondContact O-N 3.21Å; L2038-L2041 HydrophobicContact CD1-CD2 4.48Å; L2038-L2041 PolarHBondContact O-N 3.09Å; L2038-F2042 HydrophobicContact CB-CD2 4.47Å; L2038-F2042 HydrophobicContact CB-CE2 4Å; L2038-F2042 HydrophobicContact CB-CZ 4.26Å; L2038-F2042 HydrophobicContact CD1-CE1 3.85Å; L2038-F2042 HydrophobicContact CD1-CE2 4.3Å; L2038-F2042 HydrophobicContact CD1-CZ 3.9Å; L2038-F2042 HydrophobicContact CD2-CE1 4.22Å; L2038-F2042 HydrophobicContact CD2-CE2 4.07Å; L2038-F2042 HydrophobicContact CD2-CZ 3.84Å; L2038-F2042 HydrophobicContact CG-CD2 4.34Å; L2038-F2042 HydrophobicContact CG-CE1 4.14Å; L2038-F2042 HydrophobicContact CG-CE2 3.68Å; L2038-F2042 HydrophobicContact CG-CZ 3.91Å; L2038-F2042 WeakPolarHBondContact O-CB 3.3Å; L2038-F2042 VanDerWaalsContact O-CD2 3.29Å; L2038-F2042 WeakPolarHBondContact O-CD2 3.42Å; L2038-F2042 WeakPolarHBondContact O-CG 3.31Å; L2038-F2042 PolarHBondContact O-N 3.19Å; L2038-F2077 HydrophobicContact CD1-CE2 4.26Å; L2038-F2077 HydrophobicContact CD1-CZ 4.28Å; L2038-F2077 HydrophobicContact CD2-CE2 4.1Å; L2038-F2077 HydrophobicContact CD2-CZ 4.37Å; L2038-R2213 HydrophobicContact CD1-CG 4.44Å |
| 2039 | C | 87.7 | Confident | 88.1 | Confident | 40.2 Ų | 40.2 | 28.8 Ų | 28.8 | 27% | 0.272 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -63.2 | -33.6 | 177.8 | -96.2 | 0 | 0 | 0 | 0 | 111.9 | L2037 F2042 C2043 C2216 | L2037-C2039 VanDerWaalsContact C-N 3.31Å; L2037-C2039 PolarHBondContact O-N 2.93Å; C2039-F2042 PolarHBondContact O-N 3.16Å; C2039-C2043 WeakPolarHBondContact O-CB 3.39Å; C2039-C2043 PolarHBondContact O-N 3.04Å; C2039-C2043 VanDerWaalsContact O-N 3.11Å; C2039-C2043 PolarHBondContact O-SG 3.27Å; C2039-C2043 VanDerWaalsContact O-SG 3.34Å; C2039-C2216 WeakPolarHBondContact CA-SG 3.4Å; C2039-C2216 WeakPolarHBondContact CB-SG 3.42Å; C2039-C2216 WeakPolarHBondContact SG-CB 3.47Å; C2039-C2216 CovalentContact SG-SG 2.04Å; C2039-C2216 PolarHBondContact SG-SG 3.31Å |
| 2040 | Q | 88.7 | Confident | 87.5 | Confident | 34.6 Ų | 34.6 | 29.6 Ų | 29.6 | 16% | 0.162 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.1 | -41 | 177.4 | -158.2 | 61.4 | 20.8 | 0 | 0 | 111.9 | G2004 L2006 L2037 L2038 C2043 N2044 L2338 | G2004-Q2040 WeakPolarHBondContact O-CG 3.36Å; G2004-Q2040 PolarHBondContact O-NE2 3.11Å; L2006-Q2040 HydrophobicContact CD1-CB 4.38Å; L2006-Q2040 HydrophobicContact CD1-CG 4.28Å; L2006-Q2040 HydrophobicContact CD2-CG 4.41Å; L2006-Q2040 HydrophobicContact CG-CG 4.34Å; L2037-Q2040 HydrophobicContact CB-CB 4.5Å; L2037-Q2040 WeakPolarHBondContact O-CA 3.38Å; L2037-Q2040 VanDerWaalsContact O-CB 3.22Å; L2037-Q2040 WeakPolarHBondContact O-CB 3.36Å; L2037-Q2040 PolarHBondContact O-N 3.09Å; L2037-Q2040 VanDerWaalsContact O-N 3.1Å; L2038-Q2040 VanDerWaalsContact C-N 3.27Å; L2038-Q2040 PolarHBondContact O-N 3.21Å; Q2040-C2043 PolarHBondContact O-N 3.21Å; Q2040-N2044 PolarHBondContact NE2-ND2 2.7Å; Q2040-N2044 WeakPolarHBondContact O-CB 3.43Å; Q2040-N2044 PolarHBondContact O-N 3.15Å; Q2040-N2044 VanDerWaalsContact O-N 3.08Å; Q2040-N2044 PolarHBondContact O-ND2 3.29Å; Q2040-L2338 VanDerWaalsContact NE2-CD1 3.33Å |
| 2041 | L | 91.3 | Very high | 87.1 | Confident | 0.8 Ų | 0.8 | 33.2 Ų | 33.2 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.9 | -48.3 | 172.7 | 178.1 | 67.9 | 0 | 0 | 0 | 111 | L2006 A2009 L2028 F2032 L2037 L2038 C2043 N2044 V2045 | L2006-L2041 HydrophobicContact CD1-CB 4.33Å; L2006-L2041 HydrophobicContact CD1-CD1 4.41Å; A2009-L2041 HydrophobicContact CB-CD1 4.32Å; L2028-L2041 HydrophobicContact CB-CD1 4.44Å; L2028-L2041 HydrophobicContact CB-CD2 3.96Å; L2028-L2041 HydrophobicContact CD1-CD1 4.48Å; F2032-L2041 HydrophobicContact CB-CB 4.15Å; F2032-L2041 HydrophobicContact CB-CD2 3.92Å; F2032-L2041 HydrophobicContact CD1-CB 3.83Å; F2032-L2041 HydrophobicContact CD2-CD1 4.38Å; F2032-L2041 HydrophobicContact CD2-CD2 4.09Å; F2032-L2041 HydrophobicContact CE1-CB 4.43Å; F2032-L2041 HydrophobicContact CE2-CD1 4.41Å; F2032-L2041 HydrophobicContact CG-CB 3.95Å; F2032-L2041 HydrophobicContact CG-CD1 4.49Å; F2032-L2041 HydrophobicContact CG-CD2 3.98Å; F2032-L2041 HydrophobicContact CG-CG 4.37Å; L2037-L2041 PolarHBondContact O-N 3.24Å; L2037-L2041 VanDerWaalsContact O-N 3.11Å; L2038-L2041 HydrophobicContact CD1-CD2 4.48Å; L2038-L2041 PolarHBondContact O-N 3.09Å; L2041-C2043 PolarHBondContact O-N 3.18Å; L2041-N2044 PolarHBondContact O-N 3.34Å; L2041-V2045 HydrophobicContact CD1-CG2 3.91Å; L2041-V2045 HydrophobicContact CG-CG2 4.45Å; L2041-V2045 WeakPolarHBondContact O-CB 3.41Å; L2041-V2045 VanDerWaalsContact O-CG2 3.3Å; L2041-V2045 WeakPolarHBondContact O-CG2 3.3Å; L2041-V2045 PolarHBondContact O-N 3.16Å |
| 2042 | F | 91.3 | Very high | 86.4 | Confident | 1.6 Ų | 1.6 | 37 Ų | 37 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.5 | -50.8 | 177 | -65.9 | -26.7 | 0 | 0 | 0 | 111.3 | L2038 C2039 N2044 V2045 F2046 I2069 M2217 C2220 | L2038-F2042 HydrophobicContact CB-CD2 4.47Å; L2038-F2042 HydrophobicContact CB-CE2 4Å; L2038-F2042 HydrophobicContact CB-CZ 4.26Å; L2038-F2042 HydrophobicContact CD1-CE1 3.85Å; L2038-F2042 HydrophobicContact CD1-CE2 4.3Å; L2038-F2042 HydrophobicContact CD1-CZ 3.9Å; L2038-F2042 HydrophobicContact CD2-CE1 4.22Å; L2038-F2042 HydrophobicContact CD2-CE2 4.07Å; L2038-F2042 HydrophobicContact CD2-CZ 3.84Å; L2038-F2042 HydrophobicContact CG-CD2 4.34Å; L2038-F2042 HydrophobicContact CG-CE1 4.14Å; L2038-F2042 HydrophobicContact CG-CE2 3.68Å; L2038-F2042 HydrophobicContact CG-CZ 3.91Å; L2038-F2042 WeakPolarHBondContact O-CB 3.3Å; L2038-F2042 VanDerWaalsContact O-CD2 3.29Å; L2038-F2042 WeakPolarHBondContact O-CD2 3.42Å; L2038-F2042 WeakPolarHBondContact O-CG 3.31Å; L2038-F2042 PolarHBondContact O-N 3.19Å; C2039-F2042 PolarHBondContact O-N 3.16Å; F2042-N2044 PolarHBondContact O-N 3.01Å; F2042-V2045 PolarHBondContact O-N 3.21Å; F2042-F2046 HydrophobicContact CB-CD2 4.08Å; F2042-F2046 HydrophobicContact CB-CE1 4.42Å; F2042-F2046 HydrophobicContact CB-CE2 3.71Å; F2042-F2046 HydrophobicContact CB-CZ 3.9Å; F2042-F2046 AromaticContact CD1-CE1 3.89Å; F2042-F2046 HydrophobicContact CD1-CE1 4.11Å; F2042-F2046 HydrophobicContact CD1-CE2 4.24Å; F2042-F2046 AromaticContact CD1-CZ 3.62Å; F2042-F2046 HydrophobicContact CD1-CZ 3.62Å; F2042-F2046 VanDerWaalsContact CD1-CZ 3.44Å; F2042-F2046 HydrophobicContact CE1-CZ 4.29Å; F2042-F2046 HydrophobicContact CG-CE1 4.43Å; F2042-F2046 AromaticContact CG-CE2 3.96Å; F2042-F2046 HydrophobicContact CG-CE2 4.02Å; F2042-F2046 AromaticContact CG-CZ 3.84Å; F2042-F2046 HydrophobicContact CG-CZ 3.88Å; F2042-F2046 WeakPolarHBondContact O-CB 3.36Å; F2042-F2046 VanDerWaalsContact O-CD1 3.3Å; F2042-F2046 WeakPolarHBondContact O-CD1 3.38Å; F2042-F2046 WeakPolarHBondContact O-CD2 3.39Å; F2042-F2046 WeakPolarHBondContact O-CG 3.37Å; F2042-F2046 PolarHBondContact O-N 2.96Å; F2042-I2069 HydrophobicContact CD1-CG2 4.25Å; F2042-I2069 HydrophobicContact CE1-CG2 4.04Å; F2042-M2217 HydrophobicContact CD1-CG 4.42Å; F2042-M2217 HydrophobicContact CD2-CB 4.01Å; F2042-M2217 HydrophobicContact CD2-CG 4.11Å; F2042-M2217 HydrophobicContact CE1-CG 4.28Å; F2042-M2217 HydrophobicContact CE1-SD 4.26Å; F2042-M2217 HydrophobicContact CE2-CB 3.64Å; F2042-M2217 HydrophobicContact CE2-CG 3.93Å; F2042-M2217 HydrophobicContact CE2-SD 4.45Å; F2042-M2217 HydrophobicContact CG-CG 4.38Å; F2042-M2217 HydrophobicContact CZ-CB 4.12Å; F2042-M2217 HydrophobicContact CZ-CG 4.07Å; F2042-M2217 HydrophobicContact CZ-SD 4.18Å; F2042-C2220 HydrophobicContact CB-CB 4.29Å |
| 2043 | C | 87.7 | Confident | 85.5 | Confident | 25.2 Ų | 25.2 | 38.5 Ų | 38.5 | 17% | 0.17 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.4 | -39.8 | -175.5 | -63.1 | 0 | 0 | 0 | 0 | 112.7 | C2039 Q2040 L2041 S2047 C2220 L2224 | C2039-C2043 WeakPolarHBondContact O-CB 3.39Å; C2039-C2043 PolarHBondContact O-N 3.04Å; C2039-C2043 VanDerWaalsContact O-N 3.11Å; C2039-C2043 PolarHBondContact O-SG 3.27Å; C2039-C2043 VanDerWaalsContact O-SG 3.34Å; Q2040-C2043 PolarHBondContact O-N 3.21Å; L2041-C2043 PolarHBondContact O-N 3.18Å; C2043-S2047 VanDerWaalsContact O-CB 3.25Å; C2043-S2047 WeakPolarHBondContact O-CB 3.4Å; C2043-S2047 PolarHBondContact O-N 3.17Å; C2043-S2047 VanDerWaalsContact O-N 3.13Å; C2043-S2047 PolarHBondContact O-OG 2.89Å; C2043-C2220 WeakPolarHBondContact CA-SG 3.36Å; C2043-C2220 WeakPolarHBondContact CB-SG 3.24Å; C2043-C2220 PolarHBondContact N-SG 3.1Å; C2043-C2220 VanDerWaalsContact N-SG 3.4Å; C2043-C2220 WeakPolarHBondContact SG-CB 3.21Å; C2043-C2220 CovalentContact SG-SG 2.06Å; C2043-C2220 PolarHBondContact SG-SG 3.33Å; C2043-L2224 HydrophobicContact CB-CD1 4.4Å |
| 2044 | N | 88.3 | Confident | 84.5 | Confident | 23 Ų | 23 | 46.2 Ų | 46.2 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.1 | -50.4 | 174.1 | -87.1 | -102.3 | 0 | 0 | 0 | 112.4 | G2004 E2005 L2006 M2010 Q2040 L2041 F2042 K2048 | G2004-N2044 PolarHBondContact O-ND2 3.16Å; G2004-N2044 VanDerWaalsContact O-ND2 3.15Å; E2005-N2044 WeakPolarHBondContact CA-OD1 3.35Å; L2006-N2044 HydrophobicContact CD1-CB 4.34Å; L2006-N2044 PolarHBondContact N-OD1 3.1Å; L2006-N2044 VanDerWaalsContact N-OD1 3.08Å; M2010-N2044 HydrophobicContact CE-CB 4.49Å; M2010-N2044 VanDerWaalsContact CE-O 3.27Å; M2010-N2044 WeakPolarHBondContact CE-O 3.38Å; M2010-N2044 HydrophobicContact CG-CB 4.18Å; M2010-N2044 HydrophobicContact SD-CB 3.79Å; Q2040-N2044 PolarHBondContact NE2-ND2 2.7Å; Q2040-N2044 WeakPolarHBondContact O-CB 3.43Å; Q2040-N2044 PolarHBondContact O-N 3.15Å; Q2040-N2044 VanDerWaalsContact O-N 3.08Å; Q2040-N2044 PolarHBondContact O-ND2 3.29Å; L2041-N2044 PolarHBondContact O-N 3.34Å; F2042-N2044 PolarHBondContact O-N 3.01Å; N2044-K2048 WeakPolarHBondContact O-CB 3.49Å; N2044-K2048 PolarHBondContact O-N 3.26Å |
| 2045 | V | 88.8 | Confident | 83.6 | Confident | 5.2 Ų | 5.2 | 47.7 Ų | 47.7 | 3% | 0.032 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72.2 | -40.5 | -175 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | M2010 T2013 L2041 F2042 K2048 E2049 T2066 I2069 | M2010-V2045 HydrophobicContact SD-CB 4.44Å; M2010-V2045 HydrophobicContact SD-CG2 3.73Å; T2013-V2045 HydrophobicContact CG2-CG2 4.2Å; L2041-V2045 HydrophobicContact CD1-CG2 3.91Å; L2041-V2045 HydrophobicContact CG-CG2 4.45Å; L2041-V2045 WeakPolarHBondContact O-CB 3.41Å; L2041-V2045 VanDerWaalsContact O-CG2 3.3Å; L2041-V2045 WeakPolarHBondContact O-CG2 3.3Å; L2041-V2045 PolarHBondContact O-N 3.16Å; F2042-V2045 PolarHBondContact O-N 3.21Å; V2045-K2048 PolarHBondContact O-N 3.2Å; V2045-E2049 PolarHBondContact O-N 3.18Å; V2045-T2066 HydrophobicContact CG1-CG2 4.22Å; V2045-T2066 VanDerWaalsContact CG1-OG1 3.31Å; V2045-T2066 WeakPolarHBondContact CG1-OG1 3.41Å; V2045-T2066 PolarHBondContact O-OG1 3.35Å; V2045-I2069 HydrophobicContact CG1-CD1 4.1Å; V2045-I2069 HydrophobicContact CG2-CD1 4.37Å |
| 2046 | F | 88.7 | Confident | 82.3 | Confident | 0.6 Ų | 0.6 | 46.6 Ų | 46.6 | 0% | 0.003 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -73.7 | -37.2 | -175.9 | -62 | -1.1 | 0 | 0 | 0 | 111.5 | F2042 K2048 E2049 L2050 T2066 I2069 M2070 M2217 L2221 L2224 | F2042-F2046 HydrophobicContact CB-CD2 4.08Å; F2042-F2046 HydrophobicContact CB-CE1 4.42Å; F2042-F2046 HydrophobicContact CB-CE2 3.71Å; F2042-F2046 HydrophobicContact CB-CZ 3.9Å; F2042-F2046 AromaticContact CD1-CE1 3.89Å; F2042-F2046 HydrophobicContact CD1-CE1 4.11Å; F2042-F2046 HydrophobicContact CD1-CE2 4.24Å; F2042-F2046 AromaticContact CD1-CZ 3.62Å; F2042-F2046 HydrophobicContact CD1-CZ 3.62Å; F2042-F2046 VanDerWaalsContact CD1-CZ 3.44Å; F2042-F2046 HydrophobicContact CE1-CZ 4.29Å; F2042-F2046 HydrophobicContact CG-CE1 4.43Å; F2042-F2046 AromaticContact CG-CE2 3.96Å; F2042-F2046 HydrophobicContact CG-CE2 4.02Å; F2042-F2046 AromaticContact CG-CZ 3.84Å; F2042-F2046 HydrophobicContact CG-CZ 3.88Å; F2042-F2046 WeakPolarHBondContact O-CB 3.36Å; F2042-F2046 VanDerWaalsContact O-CD1 3.3Å; F2042-F2046 WeakPolarHBondContact O-CD1 3.38Å; F2042-F2046 WeakPolarHBondContact O-CD2 3.39Å; F2042-F2046 WeakPolarHBondContact O-CG 3.37Å; F2042-F2046 PolarHBondContact O-N 2.96Å; F2046-K2048 VanDerWaalsContact C-N 3.3Å; F2046-K2048 PolarHBondContact O-N 2.84Å; F2046-E2049 PolarHBondContact O-N 3.13Å; F2046-L2050 WeakPolarHBondContact O-CB 3.41Å; F2046-L2050 WeakPolarHBondContact O-CD1 3.36Å; F2046-L2050 VanDerWaalsContact O-CG 3.29Å; F2046-L2050 WeakPolarHBondContact O-CG 3.45Å; F2046-L2050 PolarHBondContact O-N 2.96Å; F2046-T2066 HydrophobicContact CD1-CG2 3.29Å; F2046-T2066 HydrophobicContact CE1-CG2 3.57Å; F2046-T2066 VanDerWaalsContact CE1-CG2 3.46Å; F2046-T2066 HydrophobicContact CG-CG2 4.19Å; F2046-I2069 HydrophobicContact CE1-CG2 4.21Å; F2046-I2069 HydrophobicContact CZ-CG2 4.45Å; F2046-M2070 HydrophobicContact CE1-CG 4.17Å; F2046-M2070 HydrophobicContact CZ-CE 4.29Å; F2046-M2070 HydrophobicContact CZ-CG 4Å; F2046-M2070 HydrophobicContact CZ-SD 4.44Å; F2046-M2217 HydrophobicContact CE2-CG 3.83Å; F2046-M2217 HydrophobicContact CZ-CG 3.88Å; F2046-M2217 HydrophobicContact CZ-SD 4.32Å; F2046-L2221 HydrophobicContact CB-CD2 4.45Å; F2046-L2221 HydrophobicContact CD2-CB 4.27Å; F2046-L2221 HydrophobicContact CD2-CD1 3.85Å; F2046-L2221 VanDerWaalsContact CD2-CD1 3.41Å; F2046-L2221 HydrophobicContact CD2-CD2 3.4Å; F2046-L2221 VanDerWaalsContact CD2-CD2 3.42Å; F2046-L2221 HydrophobicContact CD2-CG 3.73Å; F2046-L2221 HydrophobicContact CE2-CB 4.32Å; F2046-L2221 HydrophobicContact CE2-CD1 4.09Å; F2046-L2221 HydrophobicContact CE2-CD2 3.77Å; F2046-L2221 HydrophobicContact CE2-CG 3.72Å; F2046-L2221 HydrophobicContact CG-CD1 4.1Å; F2046-L2221 HydrophobicContact CG-CD2 4.08Å; F2046-L2224 HydrophobicContact CB-CD1 3.51Å; F2046-L2224 VanDerWaalsContact CB-CD1 3.49Å; F2046-L2224 HydrophobicContact CD2-CD1 4.44Å; F2046-L2224 HydrophobicContact CG-CD1 4.47Å |
| 2047 | S | 85 | Confident | 80.9 | Confident | 23.4 Ų | 23.4 | 48.2 Ų | 48.2 | 16% | 0.164 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.6 | -49.3 | 175.1 | -148 | 0 | 0 | 0 | 0 | 110.5 | C2043 E2049 L2050 E2051 L2224 | C2043-S2047 VanDerWaalsContact O-CB 3.25Å; C2043-S2047 WeakPolarHBondContact O-CB 3.4Å; C2043-S2047 PolarHBondContact O-N 3.17Å; C2043-S2047 VanDerWaalsContact O-N 3.13Å; C2043-S2047 PolarHBondContact O-OG 2.89Å; S2047-E2049 VanDerWaalsContact C-N 3.29Å; S2047-E2049 PolarHBondContact O-N 3.16Å; S2047-E2049 VanDerWaalsContact O-N 3.14Å; S2047-L2050 PolarHBondContact O-N 3.14Å; S2047-L2050 VanDerWaalsContact O-N 3.09Å; S2047-E2051 VanDerWaalsContact CB-OE1 3.26Å; S2047-E2051 WeakPolarHBondContact CB-OE1 3.43Å; S2047-E2051 WeakPolarHBondContact O-CB 3.31Å; S2047-E2051 VanDerWaalsContact O-CD 3.31Å; S2047-E2051 VanDerWaalsContact O-CG 3.26Å; S2047-E2051 WeakPolarHBondContact O-CG 3.35Å; S2047-E2051 PolarHBondContact O-N 2.97Å; S2047-E2051 PolarHBondContact OG-OE1 2.95Å; S2047-L2224 VanDerWaalsContact OG-CD2 3.23Å; S2047-L2224 WeakPolarHBondContact OG-CD2 2.99Å |
| 2048 | K | 82.5 | Confident | 79.7 | Confident | 77.4 Ų | 77.4 | 49.3 Ų | 49.3 | 34% | 0.337 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.3 | -33.6 | -178.4 | -163.6 | 107 | -169 | -166.3 | 0 | 114 | M2010 N2044 V2045 F2046 E2051 S2052 Y2430 | M2010-K2048 HydrophobicContact CE-CB 3.76Å; M2010-K2048 HydrophobicContact CE-CD 4.13Å; M2010-K2048 HydrophobicContact CE-CG 4.04Å; N2044-K2048 WeakPolarHBondContact O-CB 3.49Å; N2044-K2048 PolarHBondContact O-N 3.26Å; V2045-K2048 PolarHBondContact O-N 3.2Å; F2046-K2048 VanDerWaalsContact C-N 3.3Å; F2046-K2048 PolarHBondContact O-N 2.84Å; K2048-E2051 WeakPolarHBondContact CE-OE2 3.22Å; K2048-E2051 PolarHBondContact N-OE1 3.29Å; K2048-E2051 IonicContact NZ-OE2 3.31Å; K2048-E2051 PolarHBondContact NZ-OE2 2.99Å; K2048-S2052 PolarHBondContact O-N 3.46Å; K2048-S2052 PolarHBondContact O-OG 3.24Å; K2048-Y2430 PolarHBondContact NZ-OH 3.46Å |
| 2049 | E | 83.2 | Confident | 78.3 | Confident | 20.6 Ų | 20.6 | 49.3 Ų | 49.3 | 10% | 0.096 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -76.8 | -41.1 | 174.2 | -171.9 | 179.5 | -169.3 | 0 | 0 | 112.1 | V2045 F2046 S2047 E2051 S2052 A2053 L2060 T2064 T2066 | V2045-E2049 PolarHBondContact O-N 3.18Å; F2046-E2049 PolarHBondContact O-N 3.13Å; S2047-E2049 VanDerWaalsContact C-N 3.29Å; S2047-E2049 PolarHBondContact O-N 3.16Å; S2047-E2049 VanDerWaalsContact O-N 3.14Å; E2049-E2051 VanDerWaalsContact C-N 3.33Å; E2049-E2051 PolarHBondContact O-N 3.14Å; E2049-S2052 WeakPolarHBondContact CA-OG 3.49Å; E2049-S2052 WeakPolarHBondContact O-CA 3.38Å; E2049-S2052 WeakPolarHBondContact O-CB 3.46Å; E2049-S2052 PolarHBondContact O-N 3.44Å; E2049-S2052 VanDerWaalsContact O-N 3.11Å; E2049-S2052 PolarHBondContact O-OG 3.13Å; E2049-A2053 PolarHBondContact O-N 3.02Å; E2049-L2060 VanDerWaalsContact OE2-CD2 3.27Å; E2049-L2060 WeakPolarHBondContact OE2-CD2 3.38Å; E2049-T2064 VanDerWaalsContact OE1-CB 3.25Å; E2049-T2064 WeakPolarHBondContact OE1-CB 3.42Å; E2049-T2064 VanDerWaalsContact OE1-CG2 3.24Å; E2049-T2064 WeakPolarHBondContact OE1-CG2 3.42Å; E2049-T2064 PolarHBondContact OE1-OG1 3.26Å; E2049-T2064 WeakPolarHBondContact OE2-CB 3.33Å; E2049-T2064 PolarHBondContact OE2-OG1 3.24Å; E2049-T2066 WeakPolarHBondContact CB-OG1 3.5Å; E2049-T2066 WeakPolarHBondContact OE2-CB 3.35Å; E2049-T2066 WeakPolarHBondContact OE2-CG2 3.41Å; E2049-T2066 PolarHBondContact OE2-OG1 3.13Å |
| 2050 | L | 79.8 | Confident | 77.4 | Confident | 17.6 Ų | 17.6 | 47.5 Ų | 47.5 | 9% | 0.092 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.4 | -36.7 | 179.1 | -69.9 | 166.7 | 0 | 0 | 0 | 112 | F2046 S2047 S2052 A2053 P2059 L2224 I2225 L2228 | F2046-L2050 WeakPolarHBondContact O-CB 3.41Å; F2046-L2050 WeakPolarHBondContact O-CD1 3.36Å; F2046-L2050 VanDerWaalsContact O-CG 3.29Å; F2046-L2050 WeakPolarHBondContact O-CG 3.45Å; F2046-L2050 PolarHBondContact O-N 2.96Å; S2047-L2050 PolarHBondContact O-N 3.14Å; S2047-L2050 VanDerWaalsContact O-N 3.09Å; L2050-S2052 PolarHBondContact O-N 3.18Å; L2050-A2053 PolarHBondContact O-N 3.1Å; L2050-P2059 HydrophobicContact CD2-CB 3.92Å; L2050-P2059 HydrophobicContact CD2-CG 4.06Å; L2050-L2224 HydrophobicContact CD1-CB 3.66Å; L2050-L2224 HydrophobicContact CD1-CD1 4.41Å; L2050-I2225 HydrophobicContact CD1-CG1 4.24Å; L2050-I2225 HydrophobicContact CD2-CG1 4.28Å; L2050-L2228 HydrophobicContact CB-CD1 3.43Å; L2050-L2228 VanDerWaalsContact CB-CD1 3.44Å; L2050-L2228 HydrophobicContact CD1-CD1 4.24Å; L2050-L2228 HydrophobicContact CG-CD1 4.44Å |
| 2051 | E | 79.6 | Confident | 76.6 | Confident | 113.8 Ų | 113.8 | 51.7 Ų | 51.7 | 53% | 0.532 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -26.1 | 169.7 | -73 | 159.7 | -139.4 | 0 | 0 | 113.2 | S2047 K2048 E2049 L2228 | S2047-E2051 VanDerWaalsContact CB-OE1 3.26Å; S2047-E2051 WeakPolarHBondContact CB-OE1 3.43Å; S2047-E2051 WeakPolarHBondContact O-CB 3.31Å; S2047-E2051 VanDerWaalsContact O-CD 3.31Å; S2047-E2051 VanDerWaalsContact O-CG 3.26Å; S2047-E2051 WeakPolarHBondContact O-CG 3.35Å; S2047-E2051 PolarHBondContact O-N 2.97Å; S2047-E2051 PolarHBondContact OG-OE1 2.95Å; K2048-E2051 WeakPolarHBondContact CE-OE2 3.22Å; K2048-E2051 PolarHBondContact N-OE1 3.29Å; K2048-E2051 IonicContact NZ-OE2 3.31Å; K2048-E2051 PolarHBondContact NZ-OE2 2.99Å; E2049-E2051 VanDerWaalsContact C-N 3.33Å; E2049-E2051 PolarHBondContact O-N 3.14Å; E2051-L2228 HydrophobicContact CG-CD1 4.49Å; E2051-L2228 HydrophobicContact CG-CD2 4.41Å |
| 2052 | S | 76.1 | Confident | 75.7 | Confident | 86.4 Ų | 86.4 | 53.5 Ų | 53.5 | 60% | 0.604 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 3.7 | -177.8 | 71.1 | 0 | 0 | 0 | 0 | 114.5 | K2048 E2049 L2050 | K2048-S2052 PolarHBondContact O-N 3.46Å; K2048-S2052 PolarHBondContact O-OG 3.24Å; E2049-S2052 WeakPolarHBondContact CA-OG 3.49Å; E2049-S2052 WeakPolarHBondContact O-CA 3.38Å; E2049-S2052 WeakPolarHBondContact O-CB 3.46Å; E2049-S2052 PolarHBondContact O-N 3.44Å; E2049-S2052 VanDerWaalsContact O-N 3.11Å; E2049-S2052 PolarHBondContact O-OG 3.13Å; L2050-S2052 PolarHBondContact O-N 3.18Å |
| 2053 | A | 73.3 | Confident | 75.2 | Confident | 32.4 Ų | 32.4 | 58.9 Ų | 58.9 | 27% | 0.268 | 33% | 0.327 | S | S | . | . | trans | -110.8 | 111.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E2049 L2050 S2055 P2059 | E2049-A2053 PolarHBondContact O-N 3.02Å; L2050-A2053 PolarHBondContact O-N 3.1Å; A2053-S2055 VanDerWaalsContact C-N 3.29Å; A2053-S2055 PolarHBondContact O-N 3.09Å; A2053-P2059 HydrophobicContact CB-CB 3.9Å; A2053-P2059 HydrophobicContact CB-CG 3.88Å | ||
| 2054 | D | 67.3 | Low | 75.1 | Confident | 175.4 Ų | 175.4 | 59.8 Ų | 59.8 | 94% | 0.938 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -62.5 | -10.7 | -177.1 | -57.7 | -51.1 | 0 | 0 | 0 | 115.7 | ||
| 2055 | S | 65.4 | Low | 75.1 | Confident | 62.2 Ų | 62.2 | 59.4 Ų | 59.4 | 44% | 0.435 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -154.2 | 147.5 | -179.2 | 63.8 | 0 | 0 | 0 | 0 | 112.2 | A2053 Q2057 S2058 P2059 | A2053-S2055 VanDerWaalsContact C-N 3.29Å; A2053-S2055 PolarHBondContact O-N 3.09Å; S2055-Q2057 VanDerWaalsContact C-N 3.28Å; S2055-Q2057 PolarHBondContact O-N 3.17Å; S2055-Q2057 VanDerWaalsContact O-N 3.09Å; S2055-S2058 PolarHBondContact O-N 2.93Å; S2055-S2058 VanDerWaalsContact O-N 3.1Å; S2055-S2058 VanDerWaalsContact OG-CB 3.24Å; S2055-S2058 WeakPolarHBondContact OG-CB 3.35Å; S2055-P2059 VanDerWaalsContact O-CD 3.25Å; S2055-P2059 WeakPolarHBondContact O-CD 3.22Å; S2055-P2059 WeakPolarHBondContact O-CG 3.37Å |
| 2056 | M | 59.8 | Low | 75.1 | Confident | 61.4 Ų | 61.4 | 59.4 Ų | 59.4 | 30% | 0.302 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -14 | -176.3 | -65 | -128.3 | 100.2 | 0 | 0 | 115.5 | P2059 I2225 L2228 G2229 | M2056-P2059 VanDerWaalsContact C-CD 3.49Å; M2056-P2059 VanDerWaalsContact O-CD 3.28Å; M2056-P2059 WeakPolarHBondContact O-CD 3.41Å; M2056-I2225 HydrophobicContact CE-CG2 4.05Å; M2056-I2225 HydrophobicContact SD-CG2 4.05Å; M2056-L2228 HydrophobicContact CE-CB 4.34Å; M2056-G2229 VanDerWaalsContact CE-CA 3.47Å; M2056-G2229 VanDerWaalsContact SD-CA 3.52Å; M2056-G2229 WeakPolarHBondContact SD-CA 3.06Å |
| 2057 | Q | 56.6 | Low | 75 | Confident | 149 Ų | 149 | 59.4 Ų | 59.4 | 70% | 0.696 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -9.3 | 178.4 | -63.6 | -168.7 | 5.9 | 0 | 0 | 114 | S2055 P2059 R2061 | S2055-Q2057 VanDerWaalsContact C-N 3.28Å; S2055-Q2057 PolarHBondContact O-N 3.17Å; S2055-Q2057 VanDerWaalsContact O-N 3.09Å; Q2057-P2059 VanDerWaalsContact C-CD 3.45Å; Q2057-R2061 WeakPolarHBondContact O-CD 3.34Å; Q2057-R2061 PolarHBondContact O-NE 3.13Å; Q2057-R2061 VanDerWaalsContact O-NE 3.15Å; Q2057-R2061 PolarHBondContact O-NH1 3.17Å |
| 2058 | S | 62.3 | Low | 75.2 | Confident | 73.2 Ų | 73.2 | 59.6 Ų | 59.6 | 51% | 0.512 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -96.6 | -24.6 | 178.2 | -158.5 | 0 | 0 | 0 | 0 | 117 | S2055 R2061 | S2055-S2058 PolarHBondContact O-N 2.93Å; S2055-S2058 VanDerWaalsContact O-N 3.1Å; S2055-S2058 VanDerWaalsContact OG-CB 3.24Å; S2055-S2058 WeakPolarHBondContact OG-CB 3.35Å; S2058-R2061 PolarHBondContact O-N 3.12Å |
| 2059 | P | 61.3 | Low | 75.6 | Confident | 11 Ų | 11 | 56 Ų | 56 | 7% | 0.071 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 155.7 | -178.2 | 16.3 | -7.8 | 0 | 0 | 0 | 108.8 | L2050 A2053 S2055 M2056 Q2057 R2061 | L2050-P2059 HydrophobicContact CD2-CB 3.92Å; L2050-P2059 HydrophobicContact CD2-CG 4.06Å; A2053-P2059 HydrophobicContact CB-CB 3.9Å; A2053-P2059 HydrophobicContact CB-CG 3.88Å; S2055-P2059 VanDerWaalsContact O-CD 3.25Å; S2055-P2059 WeakPolarHBondContact O-CD 3.22Å; S2055-P2059 WeakPolarHBondContact O-CG 3.37Å; M2056-P2059 VanDerWaalsContact C-CD 3.49Å; M2056-P2059 VanDerWaalsContact O-CD 3.28Å; M2056-P2059 WeakPolarHBondContact O-CD 3.41Å; Q2057-P2059 VanDerWaalsContact C-CD 3.45Å; P2059-R2061 PolarHBondContact O-N 3.25Å; P2059-R2061 VanDerWaalsContact O-N 3.11Å |
| 2060 | L | 68.1 | Low | 75.9 | Confident | 3.2 Ų | 3.2 | 55 Ų | 55 | 2% | 0.017 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 20.9 | 176.5 | -47.3 | 173.5 | 0 | 0 | 0 | 113.9 | E2049 T2066 M2070 L2221 V2245 R2249 | E2049-L2060 VanDerWaalsContact OE2-CD2 3.27Å; E2049-L2060 WeakPolarHBondContact OE2-CD2 3.38Å; L2060-T2066 HydrophobicContact CD2-CG2 3.57Å; L2060-T2066 VanDerWaalsContact CD2-CG2 3.46Å; L2060-M2070 HydrophobicContact CB-CE 3.93Å; L2060-M2070 HydrophobicContact CD1-CE 4.15Å; L2060-M2070 HydrophobicContact CD1-SD 4.33Å; L2060-M2070 HydrophobicContact CD2-CE 3.58Å; L2060-M2070 VanDerWaalsContact CD2-CE 3.45Å; L2060-M2070 HydrophobicContact CD2-SD 4.09Å; L2060-M2070 HydrophobicContact CG-CE 4.17Å; L2060-L2221 HydrophobicContact CD1-CD1 3.65Å; L2060-L2221 HydrophobicContact CD1-CD2 3.8Å; L2060-L2221 HydrophobicContact CD1-CG 4.24Å; L2060-L2221 HydrophobicContact CD2-CD2 4.46Å; L2060-V2245 HydrophobicContact CB-CG1 4.29Å; L2060-V2245 HydrophobicContact CB-CG2 4.09Å; L2060-V2245 HydrophobicContact CD1-CG1 4.25Å; L2060-V2245 HydrophobicContact CD1-CG2 4.16Å; L2060-R2249 VanDerWaalsContact O-CZ 3.22Å; L2060-R2249 PolarHBondContact O-NE 3.21Å; L2060-R2249 VanDerWaalsContact O-NE 3.09Å; L2060-R2249 PolarHBondContact O-NH1 2.98Å; L2060-R2249 PolarHBondContact O-NH2 3.23Å |
| 2061 | R | 71.4 | Confident | 76.4 | Confident | 121.6 Ų | 121.6 | 57.1 Ų | 57.1 | 46% | 0.459 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -109.4 | -25.1 | 169.2 | -68.8 | -173.7 | 175.6 | -179.3 | -1.3 | 113.7 | Q2057 S2058 P2059 T2244 L2248 R2249 | Q2057-R2061 WeakPolarHBondContact O-CD 3.34Å; Q2057-R2061 PolarHBondContact O-NE 3.13Å; Q2057-R2061 VanDerWaalsContact O-NE 3.15Å; Q2057-R2061 PolarHBondContact O-NH1 3.17Å; S2058-R2061 PolarHBondContact O-N 3.12Å; P2059-R2061 PolarHBondContact O-N 3.25Å; P2059-R2061 VanDerWaalsContact O-N 3.11Å; R2061-T2244 VanDerWaalsContact NH2-CG2 3.34Å; R2061-L2248 HydrophobicContact CG-CD2 4.27Å; R2061-R2249 PolarHBondContact O-NH2 2.85Å |
| 2062 | G | 73.4 | Confident | 76.8 | Confident | 38.4 Ų | 38.4 | 53.7 Ų | 53.7 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -74.5 | -179.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T2064 S2067 R2249 | G2062-T2064 VanDerWaalsContact C-N 3.35Å; G2062-T2064 PolarHBondContact O-N 3.25Å; G2062-T2064 VanDerWaalsContact O-N 3.15Å; G2062-S2067 VanDerWaalsContact O-CB 3.27Å; G2062-S2067 WeakPolarHBondContact O-CB 3.31Å; G2062-S2067 PolarHBondContact O-OG 3.12Å; G2062-R2249 PolarHBondContact O-NH2 3.18Å; G2062-R2249 VanDerWaalsContact O-NH2 3.1Å |
| 2063 | N | 79.6 | Confident | 77.6 | Confident | 115.8 Ų | 115.8 | 49.6 Ų | 49.6 | 62% | 0.619 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -92.7 | 67.3 | 171.5 | -139.5 | 11.4 | 0 | 0 | 0 | 110.4 | K2068 | N2063-K2068 WeakPolarHBondContact OD1-CE 3.33Å; N2063-K2068 PolarHBondContact OD1-NZ 2.85Å |
| 2064 | T | 86.3 | Confident | 78.3 | Confident | 45.2 Ų | 45.2 | 48.4 Ų | 48.4 | 28% | 0.277 | 26% | 0.261 | S | S | . | . | trans | -101.8 | 164.3 | -178 | 58.4 | 0 | 0 | 0 | 0 | 112.1 | E2049 G2062 T2066 S2067 K2068 | E2049-T2064 VanDerWaalsContact OE1-CB 3.25Å; E2049-T2064 WeakPolarHBondContact OE1-CB 3.42Å; E2049-T2064 VanDerWaalsContact OE1-CG2 3.24Å; E2049-T2064 WeakPolarHBondContact OE1-CG2 3.42Å; E2049-T2064 PolarHBondContact OE1-OG1 3.26Å; E2049-T2064 WeakPolarHBondContact OE2-CB 3.33Å; E2049-T2064 PolarHBondContact OE2-OG1 3.24Å; G2062-T2064 VanDerWaalsContact C-N 3.35Å; G2062-T2064 PolarHBondContact O-N 3.25Å; G2062-T2064 VanDerWaalsContact O-N 3.15Å; T2064-T2066 VanDerWaalsContact C-N 3.29Å; T2064-T2066 PolarHBondContact O-N 3.32Å; T2064-S2067 CarbonylContact O-C 3.59Å; T2064-S2067 WeakPolarHBondContact O-CA 3.35Å; T2064-S2067 VanDerWaalsContact O-CB 3.3Å; T2064-S2067 WeakPolarHBondContact O-CB 3.39Å; T2064-S2067 PolarHBondContact O-N 3.11Å; T2064-S2067 VanDerWaalsContact OG1-CB 3.29Å; T2064-S2067 WeakPolarHBondContact OG1-CB 3.31Å; T2064-S2067 PolarHBondContact OG1-N 3.17Å; T2064-S2067 PolarHBondContact OG1-OG 2.87Å; T2064-K2068 WeakPolarHBondContact O-CG 3.3Å; T2064-K2068 PolarHBondContact O-N 3.07Å | ||
| 2065 | M | 88.5 | Confident | 79.2 | Confident | 14.6 Ų | 14.6 | 46.3 Ų | 46.3 | 7% | 0.072 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.9 | -44.4 | 176.7 | -174.7 | 59.4 | 72.4 | 0 | 0 | 111.9 | T2013 M2021 L2024 A2025 L2028 S2067 K2068 I2069 | T2013-M2065 HydrophobicContact CG2-CG 3.81Å; T2013-M2065 HydrophobicContact CG2-SD 4.47Å; M2021-M2065 HydrophobicContact CB-CE 3.72Å; M2021-M2065 HydrophobicContact CB-SD 4.25Å; M2021-M2065 HydrophobicContact CE-CB 3.83Å; M2021-M2065 HydrophobicContact CE-CE 3.87Å; M2021-M2065 HydrophobicContact CG-CE 3.54Å; M2021-M2065 VanDerWaalsContact CG-CE 3.49Å; M2021-M2065 HydrophobicContact CG-SD 3.91Å; M2021-M2065 HydrophobicContact SD-CE 4.04Å; L2024-M2065 HydrophobicContact CB-CE 4.26Å; L2024-M2065 HydrophobicContact CB-SD 4.5Å; L2024-M2065 HydrophobicContact CD2-CE 3.69Å; L2024-M2065 HydrophobicContact CD2-SD 4.14Å; L2024-M2065 HydrophobicContact CG-CE 4.15Å; L2024-M2065 HydrophobicContact CG-SD 4.43Å; A2025-M2065 HydrophobicContact CB-CE 3.94Å; A2025-M2065 HydrophobicContact CB-SD 4.4Å; L2028-M2065 HydrophobicContact CD1-CE 4.23Å; M2065-S2067 VanDerWaalsContact C-N 3.26Å; M2065-S2067 PolarHBondContact O-N 3.03Å; M2065-K2068 WeakPolarHBondContact O-CB 3.46Å; M2065-K2068 PolarHBondContact O-N 3.31Å; M2065-K2068 VanDerWaalsContact O-N 3.11Å; M2065-I2069 HydrophobicContact CE-CD1 3.88Å; M2065-I2069 HydrophobicContact CE-CG1 4.05Å; M2065-I2069 HydrophobicContact CG-CD1 4.08Å; M2065-I2069 WeakPolarHBondContact O-CG1 3.34Å; M2065-I2069 PolarHBondContact O-N 3.04Å; M2065-I2069 HydrophobicContact SD-CD1 4.43Å |
| 2066 | T | 88.9 | Confident | 80.2 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55 | -44.6 | 171.9 | -49.6 | 0 | 0 | 0 | 0 | 112.4 | V2045 F2046 E2049 L2060 T2064 K2068 I2069 M2070 | V2045-T2066 HydrophobicContact CG1-CG2 4.22Å; V2045-T2066 VanDerWaalsContact CG1-OG1 3.31Å; V2045-T2066 WeakPolarHBondContact CG1-OG1 3.41Å; V2045-T2066 PolarHBondContact O-OG1 3.35Å; F2046-T2066 HydrophobicContact CD1-CG2 3.29Å; F2046-T2066 HydrophobicContact CE1-CG2 3.57Å; F2046-T2066 VanDerWaalsContact CE1-CG2 3.46Å; F2046-T2066 HydrophobicContact CG-CG2 4.19Å; E2049-T2066 WeakPolarHBondContact CB-OG1 3.5Å; E2049-T2066 WeakPolarHBondContact OE2-CB 3.35Å; E2049-T2066 WeakPolarHBondContact OE2-CG2 3.41Å; E2049-T2066 PolarHBondContact OE2-OG1 3.13Å; L2060-T2066 HydrophobicContact CD2-CG2 3.57Å; L2060-T2066 VanDerWaalsContact CD2-CG2 3.46Å; T2064-T2066 VanDerWaalsContact C-N 3.29Å; T2064-T2066 PolarHBondContact O-N 3.32Å; T2066-K2068 VanDerWaalsContact C-N 3.31Å; T2066-K2068 PolarHBondContact O-N 3.07Å; T2066-I2069 PolarHBondContact O-N 3.23Å; T2066-M2070 HydrophobicContact CG2-CE 3.96Å; T2066-M2070 VanDerWaalsContact CG2-CE 3.49Å; T2066-M2070 HydrophobicContact CG2-CG 4.43Å; T2066-M2070 HydrophobicContact CG2-SD 4.29Å; T2066-M2070 VanDerWaalsContact O-CB 3.24Å; T2066-M2070 WeakPolarHBondContact O-CB 3.35Å; T2066-M2070 WeakPolarHBondContact O-CG 3.29Å; T2066-M2070 PolarHBondContact O-N 3.12Å |
| 2067 | S | 87 | Confident | 81.6 | Confident | 0.8 Ų | 0.8 | 46.8 Ų | 46.8 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.8 | -36.5 | 178.8 | -64.6 | 0 | 0 | 0 | 0 | 112.3 | G2062 T2064 M2065 N2071 R2249 | G2062-S2067 VanDerWaalsContact O-CB 3.27Å; G2062-S2067 WeakPolarHBondContact O-CB 3.31Å; G2062-S2067 PolarHBondContact O-OG 3.12Å; T2064-S2067 CarbonylContact O-C 3.59Å; T2064-S2067 WeakPolarHBondContact O-CA 3.35Å; T2064-S2067 VanDerWaalsContact O-CB 3.3Å; T2064-S2067 WeakPolarHBondContact O-CB 3.39Å; T2064-S2067 PolarHBondContact O-N 3.11Å; T2064-S2067 VanDerWaalsContact OG1-CB 3.29Å; T2064-S2067 WeakPolarHBondContact OG1-CB 3.31Å; T2064-S2067 PolarHBondContact OG1-N 3.17Å; T2064-S2067 PolarHBondContact OG1-OG 2.87Å; M2065-S2067 VanDerWaalsContact C-N 3.26Å; M2065-S2067 PolarHBondContact O-N 3.03Å; S2067-N2071 VanDerWaalsContact O-CB 3.29Å; S2067-N2071 WeakPolarHBondContact O-CB 3.32Å; S2067-N2071 PolarHBondContact O-N 3.12Å; S2067-N2071 PolarHBondContact O-ND2 2.92Å; S2067-N2071 PolarHBondContact O-OD1 3.29Å; S2067-R2249 PolarHBondContact O-NH1 2.94Å; S2067-R2249 PolarHBondContact OG-NH1 3.23Å; S2067-R2249 PolarHBondContact OG-NH2 3.02Å |
| 2068 | K | 88.8 | Confident | 83 | Confident | 27.2 Ų | 27.2 | 39.7 Ų | 39.7 | 12% | 0.118 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.2 | -45 | 172.1 | -62.9 | -52.2 | -159.4 | 144.7 | 0 | 111.9 | M2021 D2022 A2025 N2063 T2064 M2065 T2066 M2070 N2071 Y2072 | M2021-K2068 HydrophobicContact CB-CG 4.21Å; D2022-K2068 VanDerWaalsContact CG-CE 3.48Å; D2022-K2068 WeakPolarHBondContact OD1-CD 3.31Å; D2022-K2068 VanDerWaalsContact OD1-CE 3.31Å; D2022-K2068 WeakPolarHBondContact OD1-CE 3.31Å; D2022-K2068 IonicContact OD1-NZ 3.01Å; D2022-K2068 PolarHBondContact OD1-NZ 3.04Å; D2022-K2068 VanDerWaalsContact OD2-CE 3.23Å; D2022-K2068 WeakPolarHBondContact OD2-CE 3.32Å; D2022-K2068 IonicContact OD2-NZ 3.02Å; D2022-K2068 PolarHBondContact OD2-NZ 3.26Å; A2025-K2068 HydrophobicContact CB-CB 3.85Å; N2063-K2068 WeakPolarHBondContact OD1-CE 3.33Å; N2063-K2068 PolarHBondContact OD1-NZ 2.85Å; T2064-K2068 WeakPolarHBondContact O-CG 3.3Å; T2064-K2068 PolarHBondContact O-N 3.07Å; M2065-K2068 WeakPolarHBondContact O-CB 3.46Å; M2065-K2068 PolarHBondContact O-N 3.31Å; M2065-K2068 VanDerWaalsContact O-N 3.11Å; T2066-K2068 VanDerWaalsContact C-N 3.31Å; T2066-K2068 PolarHBondContact O-N 3.07Å; K2068-M2070 PolarHBondContact O-N 3.44Å; K2068-N2071 PolarHBondContact O-N 3.14Å; K2068-Y2072 WeakPolarHBondContact O-CB 3.42Å; K2068-Y2072 PolarHBondContact O-N 3.3Å |
| 2069 | I | 91.5 | Very high | 84.1 | Confident | 0.4 Ų | 0.4 | 41.6 Ų | 41.6 | 0% | 0.002 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.7 | -49.6 | 176.2 | -76.2 | 167.8 | 0 | 0 | 0 | 111.2 | A2025 L2028 V2029 F2042 V2045 F2046 M2065 T2066 N2071 Y2072 C2073 | A2025-I2069 HydrophobicContact CB-CG1 3.81Å; L2028-I2069 HydrophobicContact CD1-CD1 4.5Å; V2029-I2069 HydrophobicContact CG2-CB 4.44Å; V2029-I2069 HydrophobicContact CG2-CG1 4.35Å; V2029-I2069 HydrophobicContact CG2-CG2 3.82Å; F2042-I2069 HydrophobicContact CD1-CG2 4.25Å; F2042-I2069 HydrophobicContact CE1-CG2 4.04Å; V2045-I2069 HydrophobicContact CG1-CD1 4.1Å; V2045-I2069 HydrophobicContact CG2-CD1 4.37Å; F2046-I2069 HydrophobicContact CE1-CG2 4.21Å; F2046-I2069 HydrophobicContact CZ-CG2 4.45Å; M2065-I2069 HydrophobicContact CE-CD1 3.88Å; M2065-I2069 HydrophobicContact CE-CG1 4.05Å; M2065-I2069 HydrophobicContact CG-CD1 4.08Å; M2065-I2069 WeakPolarHBondContact O-CG1 3.34Å; M2065-I2069 PolarHBondContact O-N 3.04Å; M2065-I2069 HydrophobicContact SD-CD1 4.43Å; T2066-I2069 PolarHBondContact O-N 3.23Å; I2069-N2071 PolarHBondContact O-N 3.39Å; I2069-Y2072 PolarHBondContact O-N 3.03Å; I2069-C2073 PolarHBondContact O-N 3.07Å; I2069-C2073 PolarHBondContact O-SG 3.21Å |
| 2070 | M | 89.6 | Confident | 85.2 | Confident | 0.4 Ų | 0.4 | 46.2 Ų | 46.2 | 0% | 0.002 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.2 | -47.3 | 176.9 | -90.8 | -176.5 | -66.3 | 0 | 0 | 112.3 | F2046 L2060 T2066 K2068 Y2072 C2073 F2074 M2217 L2221 V2245 | F2046-M2070 HydrophobicContact CE1-CG 4.17Å; F2046-M2070 HydrophobicContact CZ-CE 4.29Å; F2046-M2070 HydrophobicContact CZ-CG 4Å; F2046-M2070 HydrophobicContact CZ-SD 4.44Å; L2060-M2070 HydrophobicContact CB-CE 3.93Å; L2060-M2070 HydrophobicContact CD1-CE 4.15Å; L2060-M2070 HydrophobicContact CD1-SD 4.33Å; L2060-M2070 HydrophobicContact CD2-CE 3.58Å; L2060-M2070 VanDerWaalsContact CD2-CE 3.45Å; L2060-M2070 HydrophobicContact CD2-SD 4.09Å; L2060-M2070 HydrophobicContact CG-CE 4.17Å; T2066-M2070 HydrophobicContact CG2-CE 3.96Å; T2066-M2070 VanDerWaalsContact CG2-CE 3.49Å; T2066-M2070 HydrophobicContact CG2-CG 4.43Å; T2066-M2070 HydrophobicContact CG2-SD 4.29Å; T2066-M2070 VanDerWaalsContact O-CB 3.24Å; T2066-M2070 WeakPolarHBondContact O-CB 3.35Å; T2066-M2070 WeakPolarHBondContact O-CG 3.29Å; T2066-M2070 PolarHBondContact O-N 3.12Å; K2068-M2070 PolarHBondContact O-N 3.44Å; M2070-Y2072 VanDerWaalsContact C-N 3.28Å; M2070-Y2072 PolarHBondContact O-N 3.08Å; M2070-C2073 PolarHBondContact O-N 3.21Å; M2070-C2073 VanDerWaalsContact O-N 3.16Å; M2070-F2074 HydrophobicContact CB-CD2 4.32Å; M2070-F2074 HydrophobicContact CB-CE2 4.03Å; M2070-F2074 HydrophobicContact CG-CD2 3.75Å; M2070-F2074 HydrophobicContact CG-CE2 3.82Å; M2070-F2074 HydrophobicContact CG-CZ 3.98Å; M2070-F2074 WeakPolarHBondContact O-CB 3.16Å; M2070-F2074 VanDerWaalsContact O-CD2 3.27Å; M2070-F2074 WeakPolarHBondContact O-CD2 3.34Å; M2070-F2074 VanDerWaalsContact O-CG 3.31Å; M2070-F2074 WeakPolarHBondContact O-CG 3.27Å; M2070-F2074 PolarHBondContact O-N 3.22Å; M2070-F2074 HydrophobicContact SD-CE2 4.15Å; M2070-F2074 HydrophobicContact SD-CZ 4.34Å; M2070-M2217 HydrophobicContact CB-CE 4.44Å; M2070-M2217 HydrophobicContact CB-SD 4.37Å; M2070-M2217 HydrophobicContact CG-CE 4.27Å; M2070-M2217 HydrophobicContact CG-SD 3.96Å; M2070-L2221 HydrophobicContact SD-CD1 4.11Å; M2070-V2245 HydrophobicContact CE-CG1 4.1Å; M2070-V2245 HydrophobicContact SD-CG1 4.34Å |
| 2071 | N | 88.6 | Confident | 86.3 | Confident | 61.8 Ų | 61.8 | 46.4 Ų | 46.4 | 33% | 0.33 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.2 | -39.3 | 178.1 | -73.9 | 3.1 | 0 | 0 | 0 | 111.5 | S2067 K2068 I2069 K2075 R2249 | S2067-N2071 VanDerWaalsContact O-CB 3.29Å; S2067-N2071 WeakPolarHBondContact O-CB 3.32Å; S2067-N2071 PolarHBondContact O-N 3.12Å; S2067-N2071 PolarHBondContact O-ND2 2.92Å; S2067-N2071 PolarHBondContact O-OD1 3.29Å; K2068-N2071 PolarHBondContact O-N 3.14Å; I2069-N2071 PolarHBondContact O-N 3.39Å; N2071-K2075 WeakPolarHBondContact O-CB 3.3Å; N2071-K2075 WeakPolarHBondContact O-CG 3.31Å; N2071-K2075 PolarHBondContact O-N 3.19Å; N2071-K2075 VanDerWaalsContact O-N 3.08Å; N2071-R2249 PolarHBondContact ND2-NH1 3.21Å; N2071-R2249 WeakPolarHBondContact OD1-CD 3.38Å; N2071-R2249 PolarHBondContact OD1-NH1 3Å |
| 2072 | Y | 89.4 | Confident | 87.1 | Confident | 42.8 Ų | 42.8 | 41.4 Ų | 41.4 | 17% | 0.168 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.4 | -45.1 | 174.5 | -178.2 | -105.4 | 0 | 0 | 0 | 111.9 | R2026 V2029 T2030 K2068 I2069 M2070 F2074 K2075 Q2076 | R2026-Y2072 HydrophobicContact CB-CD2 4.38Å; R2026-Y2072 HydrophobicContact CB-CE1 4.48Å; R2026-Y2072 HydrophobicContact CB-CE2 4.15Å; R2026-Y2072 HydrophobicContact CG-CD2 4.47Å; R2026-Y2072 HydrophobicContact CG-CE1 4.39Å; R2026-Y2072 HydrophobicContact CG-CE2 3.88Å; V2029-Y2072 HydrophobicContact CB-CD1 3.64Å; V2029-Y2072 HydrophobicContact CB-CE1 3.78Å; V2029-Y2072 HydrophobicContact CG1-CD1 3.73Å; V2029-Y2072 HydrophobicContact CG1-CE1 3.73Å; V2029-Y2072 HydrophobicContact CG2-CD1 4Å; T2030-Y2072 PolarHBondContact OG1-OH 3.14Å; T2030-Y2072 VanDerWaalsContact OG1-OH 3.09Å; K2068-Y2072 WeakPolarHBondContact O-CB 3.42Å; K2068-Y2072 PolarHBondContact O-N 3.3Å; I2069-Y2072 PolarHBondContact O-N 3.03Å; M2070-Y2072 VanDerWaalsContact C-N 3.28Å; M2070-Y2072 PolarHBondContact O-N 3.08Å; Y2072-F2074 PolarHBondContact O-N 3.07Å; Y2072-K2075 PolarHBondContact O-N 3.28Å; Y2072-Q2076 HydrophobicContact CE1-CB 4.26Å; Y2072-Q2076 HydrophobicContact CE1-CG 4.35Å; Y2072-Q2076 HydrophobicContact CE2-CB 4.23Å; Y2072-Q2076 VanDerWaalsContact O-CB 3.26Å; Y2072-Q2076 WeakPolarHBondContact O-CB 3.35Å; Y2072-Q2076 PolarHBondContact O-N 3.29Å; Y2072-Q2076 PolarHBondContact OH-OE1 3.17Å |
| 2073 | C | 91.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.5 | -44.9 | 175.1 | -69.3 | 0 | 0 | 0 | 0 | 112.6 | V2029 I2069 M2070 K2075 Q2076 F2077 L2214 M2217 | V2029-C2073 VanDerWaalsContact CG1-SG 3.6Å; I2069-C2073 PolarHBondContact O-N 3.07Å; I2069-C2073 PolarHBondContact O-SG 3.21Å; M2070-C2073 PolarHBondContact O-N 3.21Å; M2070-C2073 VanDerWaalsContact O-N 3.16Å; C2073-K2075 VanDerWaalsContact C-N 3.32Å; C2073-K2075 PolarHBondContact O-N 2.87Å; C2073-Q2076 PolarHBondContact O-N 3.09Å; C2073-F2077 HydrophobicContact CB-CD2 4.13Å; C2073-F2077 HydrophobicContact CB-CE2 4.32Å; C2073-F2077 WeakPolarHBondContact O-CB 3.29Å; C2073-F2077 WeakPolarHBondContact O-CD2 2.98Å; C2073-F2077 PolarHBondContact O-N 2.98Å; C2073-L2214 HydrophobicContact CB-CD2 4.27Å; C2073-M2217 HydrophobicContact CB-CE 4.37Å; C2073-M2217 HydrophobicContact CB-SD 3.73Å; C2073-M2217 VanDerWaalsContact CB-SD 3.59Å |
| 2074 | F | 90.1 | Very high | 88.1 | Confident | 6 Ų | 6 | 40.7 Ų | 40.7 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.3 | -42.8 | 176.1 | -72.7 | -45 | 0 | 0 | 0 | 111.9 | M2070 Y2072 G2078 L2214 M2217 V2246 R2249 F2250 | M2070-F2074 HydrophobicContact CB-CD2 4.32Å; M2070-F2074 HydrophobicContact CB-CE2 4.03Å; M2070-F2074 HydrophobicContact CG-CD2 3.75Å; M2070-F2074 HydrophobicContact CG-CE2 3.82Å; M2070-F2074 HydrophobicContact CG-CZ 3.98Å; M2070-F2074 WeakPolarHBondContact O-CB 3.16Å; M2070-F2074 VanDerWaalsContact O-CD2 3.27Å; M2070-F2074 WeakPolarHBondContact O-CD2 3.34Å; M2070-F2074 VanDerWaalsContact O-CG 3.31Å; M2070-F2074 WeakPolarHBondContact O-CG 3.27Å; M2070-F2074 PolarHBondContact O-N 3.22Å; M2070-F2074 HydrophobicContact SD-CE2 4.15Å; M2070-F2074 HydrophobicContact SD-CZ 4.34Å; Y2072-F2074 PolarHBondContact O-N 3.07Å; F2074-G2078 WeakPolarHBondContact O-CA 3.38Å; F2074-G2078 PolarHBondContact O-N 3.38Å; F2074-G2078 VanDerWaalsContact O-N 3.11Å; F2074-L2214 HydrophobicContact CD1-CD1 4.43Å; F2074-L2214 HydrophobicContact CD1-CD2 3.97Å; F2074-L2214 HydrophobicContact CE1-CD2 4.44Å; F2074-M2217 HydrophobicContact CD1-CE 3.86Å; F2074-M2217 HydrophobicContact CD2-CE 4.44Å; F2074-M2217 HydrophobicContact CE1-CE 3.33Å; F2074-M2217 HydrophobicContact CE2-CE 4.09Å; F2074-M2217 HydrophobicContact CG-CE 4.43Å; F2074-M2217 HydrophobicContact CZ-CE 3.46Å; F2074-M2217 VanDerWaalsContact CZ-CE 3.46Å; F2074-V2246 HydrophobicContact CE1-CG1 4.48Å; F2074-V2246 HydrophobicContact CE1-CG2 4.42Å; F2074-V2246 HydrophobicContact CZ-CG2 4.25Å; F2074-R2249 HydrophobicContact CD2-CB 4.12Å; F2074-R2249 HydrophobicContact CE2-CB 3.84Å; F2074-F2250 HydrophobicContact CB-CB 4.24Å; F2074-F2250 HydrophobicContact CB-CD2 3.65Å; F2074-F2250 HydrophobicContact CB-CE2 4.27Å; F2074-F2250 HydrophobicContact CB-CG 4.11Å; F2074-F2250 HydrophobicContact CD1-CB 3.58Å; F2074-F2250 AromaticContact CD1-CD1 3.81Å; F2074-F2250 HydrophobicContact CD1-CD1 3.81Å; F2074-F2250 AromaticContact CD1-CD2 3.85Å; F2074-F2250 HydrophobicContact CD1-CD2 3.85Å; F2074-F2250 HydrophobicContact CD1-CE1 4.44Å; F2074-F2250 HydrophobicContact CD1-CE2 4.42Å; F2074-F2250 AromaticContact CD1-CG 3.48Å; F2074-F2250 HydrophobicContact CD1-CG 3.48Å; F2074-F2250 VanDerWaalsContact CD1-CG 3.46Å; F2074-F2250 HydrophobicContact CD2-CB 4.06Å; F2074-F2250 HydrophobicContact CE1-CB 3.83Å; F2074-F2250 HydrophobicContact CE1-CD1 4.08Å; F2074-F2250 AromaticContact CE1-CG 3.96Å; F2074-F2250 HydrophobicContact CE1-CG 4.02Å; F2074-F2250 HydrophobicContact CE2-CB 4.29Å; F2074-F2250 HydrophobicContact CG-CB 3.72Å; F2074-F2250 AromaticContact CG-CD2 3.96Å; F2074-F2250 HydrophobicContact CG-CD2 3.96Å; F2074-F2250 AromaticContact CG-CG 3.88Å; F2074-F2250 HydrophobicContact CG-CG 3.88Å; F2074-F2250 HydrophobicContact CZ-CB 4.19Å; F2074-F2250 VanDerWaalsContact O-CE2 3.3Å; F2074-F2250 WeakPolarHBondContact O-CE2 3.49Å |
| 2075 | K | 85.9 | Confident | 88.2 | Confident | 132.8 Ų | 132.8 | 38.8 Ų | 38.8 | 58% | 0.577 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -67.4 | -47.8 | 175.9 | -157.7 | 178.2 | 178.5 | -178.9 | 0 | 112.3 | N2071 Y2072 C2073 R2079 D2471 | N2071-K2075 WeakPolarHBondContact O-CB 3.3Å; N2071-K2075 WeakPolarHBondContact O-CG 3.31Å; N2071-K2075 PolarHBondContact O-N 3.19Å; N2071-K2075 VanDerWaalsContact O-N 3.08Å; Y2072-K2075 PolarHBondContact O-N 3.28Å; C2073-K2075 VanDerWaalsContact C-N 3.32Å; C2073-K2075 PolarHBondContact O-N 2.87Å; K2075-R2079 WeakPolarHBondContact O-CB 3.34Å; K2075-R2079 PolarHBondContact O-N 2.74Å; K2075-D2471 WeakPolarHBondContact CE-OD2 2.91Å; K2075-D2471 IonicContact NZ-OD2 3.84Å; K2075-D2471 PolarHBondContact NZ-OD2 3.22Å |
| 2076 | Q | 85.4 | Confident | 88.2 | Confident | 104.2 Ų | 104.2 | 38.2 Ų | 38.2 | 49% | 0.487 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -75.2 | -39.5 | -171.2 | -175.2 | 60.5 | 41.5 | 0 | 0 | 113.3 | Y2072 C2073 | Y2072-Q2076 HydrophobicContact CE1-CB 4.26Å; Y2072-Q2076 HydrophobicContact CE1-CG 4.35Å; Y2072-Q2076 HydrophobicContact CE2-CB 4.23Å; Y2072-Q2076 VanDerWaalsContact O-CB 3.26Å; Y2072-Q2076 WeakPolarHBondContact O-CB 3.35Å; Y2072-Q2076 PolarHBondContact O-N 3.29Å; Y2072-Q2076 PolarHBondContact OH-OE1 3.17Å; C2073-Q2076 PolarHBondContact O-N 3.09Å |
| 2077 | F | 89 | Confident | 88.1 | Confident | 29 Ų | 29 | 38.3 Ų | 38.3 | 13% | 0.127 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -105.1 | -17.4 | -176.4 | -51.8 | -45.7 | 0 | 0 | 0 | 113.3 | V2029 D2033 L2038 C2073 P2211 R2213 L2214 | V2029-F2077 HydrophobicContact CG1-CE2 4.01Å; V2029-F2077 HydrophobicContact CG1-CZ 4.02Å; D2033-F2077 HydrophobicContact CB-CZ 4.45Å; D2033-F2077 WeakPolarHBondContact OD2-CE1 3.35Å; D2033-F2077 WeakPolarHBondContact OD2-CZ 3.39Å; L2038-F2077 HydrophobicContact CD1-CE2 4.26Å; L2038-F2077 HydrophobicContact CD1-CZ 4.28Å; L2038-F2077 HydrophobicContact CD2-CE2 4.1Å; L2038-F2077 HydrophobicContact CD2-CZ 4.37Å; C2073-F2077 HydrophobicContact CB-CD2 4.13Å; C2073-F2077 HydrophobicContact CB-CE2 4.32Å; C2073-F2077 WeakPolarHBondContact O-CB 3.29Å; C2073-F2077 WeakPolarHBondContact O-CD2 2.98Å; C2073-F2077 PolarHBondContact O-N 2.98Å; F2077-P2211 VanDerWaalsContact O-CG 3.29Å; F2077-P2211 WeakPolarHBondContact O-CG 3.25Å; F2077-R2213 HydrophobicContact CB-CB 4.36Å; F2077-R2213 HydrophobicContact CD1-CB 4.48Å; F2077-R2213 VanDerWaalsContact CD1-CD 3.44Å; F2077-R2213 HydrophobicContact CD2-CB 3.82Å; F2077-R2213 VanDerWaalsContact CE1-CD 3.45Å; F2077-R2213 HydrophobicContact CE2-CB 4.2Å; F2077-R2213 HydrophobicContact CG-CB 4.05Å; F2077-L2214 HydrophobicContact CB-CD1 4.48Å; F2077-L2214 HydrophobicContact CB-CD2 4.26Å; F2077-L2214 HydrophobicContact CB-CG 4.09Å; F2077-L2214 HydrophobicContact CD2-CD2 4.4Å |
| 2078 | G | 86.6 | Confident | 88 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -99 | -14.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | F2074 D2080 Y2081 L2082 F2250 | F2074-G2078 WeakPolarHBondContact O-CA 3.38Å; F2074-G2078 PolarHBondContact O-N 3.38Å; F2074-G2078 VanDerWaalsContact O-N 3.11Å; G2078-D2080 PolarHBondContact O-N 3.1Å; G2078-Y2081 WeakPolarHBondContact O-CB 3.25Å; G2078-Y2081 PolarHBondContact O-N 3.1Å; G2078-L2082 WeakPolarHBondContact O-CG 3.32Å; G2078-L2082 PolarHBondContact O-N 2.87Å; G2078-F2250 VanDerWaalsContact CA-CZ 3.46Å |
| 2079 | R | 84.8 | Confident | 87.9 | Confident | 112.8 Ų | 112.8 | 41.1 Ų | 41.1 | 43% | 0.426 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -52.1 | -53.9 | -177.5 | -179.7 | -175.5 | 176.1 | -84.8 | -6.2 | 112.9 | K2075 Y2081 L2082 Q2083 | K2075-R2079 WeakPolarHBondContact O-CB 3.34Å; K2075-R2079 PolarHBondContact O-N 2.74Å; R2079-Y2081 VanDerWaalsContact C-N 3.32Å; R2079-Y2081 PolarHBondContact O-N 3.23Å; R2079-L2082 PolarHBondContact O-N 2.98Å; R2079-Q2083 VanDerWaalsContact NH1-OE1 3.13Å; R2079-Q2083 VanDerWaalsContact NH2-OE1 3.14Å; R2079-Q2083 WeakPolarHBondContact O-CB 3.33Å; R2079-Q2083 PolarHBondContact O-N 3.13Å |
| 2080 | D | 84.9 | Confident | 87.6 | Confident | 108.2 Ų | 108.2 | 41.2 Ų | 41.2 | 58% | 0.579 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -73 | -29.1 | -172.5 | -53.9 | -28.6 | 0 | 0 | 0 | 111.7 | G2078 Q2083 S2084 | G2078-D2080 PolarHBondContact O-N 3.1Å; D2080-Q2083 PolarHBondContact O-N 2.86Å; D2080-S2084 WeakPolarHBondContact O-CB 3.34Å; D2080-S2084 PolarHBondContact O-N 3.15Å; D2080-S2084 VanDerWaalsContact O-N 3.07Å; D2080-S2084 PolarHBondContact O-OG 3.19Å |
| 2081 | Y | 90.3 | Very high | 87.3 | Confident | 7.8 Ų | 7.8 | 44.6 Ų | 44.6 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.8 | -50.1 | 168.4 | 167.9 | -97.1 | 0 | 0 | 0 | 111.2 | G2078 R2079 Q2083 S2084 V2085 S2206 S2209 F2210 P2211 F2250 | G2078-Y2081 WeakPolarHBondContact O-CB 3.25Å; G2078-Y2081 PolarHBondContact O-N 3.1Å; R2079-Y2081 VanDerWaalsContact C-N 3.32Å; R2079-Y2081 PolarHBondContact O-N 3.23Å; Y2081-Q2083 VanDerWaalsContact C-N 3.32Å; Y2081-Q2083 PolarHBondContact O-N 3.17Å; Y2081-S2084 PolarHBondContact O-N 3.15Å; Y2081-S2084 VanDerWaalsContact O-N 3.1Å; Y2081-S2084 PolarHBondContact O-OG 3.12Å; Y2081-S2084 VanDerWaalsContact O-OG 3.11Å; Y2081-V2085 HydrophobicContact CD2-CG2 3.91Å; Y2081-V2085 HydrophobicContact CE1-CG2 4.45Å; Y2081-V2085 HydrophobicContact CE2-CG2 3.64Å; Y2081-V2085 HydrophobicContact CG-CG2 4.49Å; Y2081-V2085 VanDerWaalsContact O-CB 3.32Å; Y2081-V2085 WeakPolarHBondContact O-CB 3.31Å; Y2081-V2085 VanDerWaalsContact O-CG2 3.31Å; Y2081-V2085 WeakPolarHBondContact O-CG2 3.42Å; Y2081-V2085 PolarHBondContact O-N 3.17Å; Y2081-S2206 PolarHBondContact OH-OG 3.11Å; Y2081-S2206 VanDerWaalsContact OH-OG 3.06Å; Y2081-S2209 VanDerWaalsContact CD2-O 3.3Å; Y2081-S2209 WeakPolarHBondContact CD2-O 3.34Å; Y2081-F2210 AromaticContact CE1-CD2 3.97Å; Y2081-F2210 HydrophobicContact CE1-CD2 4.01Å; Y2081-F2210 HydrophobicContact CE1-CE2 4.23Å; Y2081-F2210 HydrophobicContact CE2-CB 4.32Å; Y2081-F2210 AromaticContact CE2-CD2 4Å; Y2081-F2210 HydrophobicContact CE2-CD2 4.03Å; Y2081-F2210 AromaticContact CZ-CD2 3.67Å; Y2081-P2211 HydrophobicContact CG-CG 4.33Å; Y2081-F2250 AromaticContact CD1-CE1 3.92Å; Y2081-F2250 HydrophobicContact CD1-CE1 4.01Å; Y2081-F2250 AromaticContact CD1-CZ 3.84Å; Y2081-F2250 HydrophobicContact CD1-CZ 3.84Å; Y2081-F2250 HydrophobicContact CE1-CE1 4.1Å; Y2081-F2250 HydrophobicContact CE1-CZ 4.37Å |
| 2082 | L | 89.7 | Confident | 87 | Confident | 15.2 Ų | 15.2 | 44.7 Ų | 44.7 | 8% | 0.08 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.4 | -40.6 | 176.8 | -68.2 | 174.2 | 0 | 0 | 0 | 111.8 | G2078 R2079 S2084 V2085 L2086 F2250 A2254 I2263 | G2078-L2082 WeakPolarHBondContact O-CG 3.32Å; G2078-L2082 PolarHBondContact O-N 2.87Å; R2079-L2082 PolarHBondContact O-N 2.98Å; L2082-S2084 VanDerWaalsContact C-N 3.34Å; L2082-S2084 PolarHBondContact O-N 3.03Å; L2082-V2085 PolarHBondContact O-N 3.07Å; L2082-L2086 HydrophobicContact CB-CD1 4.43Å; L2082-L2086 HydrophobicContact CD2-CD1 3.76Å; L2082-L2086 HydrophobicContact CD2-CG 4.4Å; L2082-L2086 WeakPolarHBondContact O-CA 3.38Å; L2082-L2086 VanDerWaalsContact O-CB 3.29Å; L2082-L2086 WeakPolarHBondContact O-CB 3.46Å; L2082-L2086 PolarHBondContact O-N 3.12Å; L2082-F2250 HydrophobicContact CD1-CD2 3.79Å; L2082-F2250 HydrophobicContact CD1-CE2 3.33Å; L2082-F2250 HydrophobicContact CD1-CZ 4.08Å; L2082-F2250 HydrophobicContact CD2-CD2 4.43Å; L2082-F2250 HydrophobicContact CD2-CE1 4.44Å; L2082-F2250 HydrophobicContact CD2-CE2 3.99Å; L2082-F2250 HydrophobicContact CD2-CZ 3.99Å; L2082-F2250 HydrophobicContact CG-CD2 4.32Å; L2082-F2250 HydrophobicContact CG-CE2 3.56Å; L2082-F2250 HydrophobicContact CG-CZ 3.76Å; L2082-A2254 HydrophobicContact CD1-CB 3.71Å; L2082-A2254 HydrophobicContact CD2-CB 4.23Å; L2082-A2254 HydrophobicContact CG-CB 4.46Å; L2082-I2263 HydrophobicContact CB-CD1 3.94Å |
| 2083 | Q | 86.4 | Confident | 86.6 | Confident | 77.6 Ų | 77.6 | 42.9 Ų | 42.9 | 36% | 0.363 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.9 | -44.1 | 177.4 | -166.6 | 135.4 | 12.4 | 0 | 0 | 111.7 | R2079 D2080 Y2081 G2087 P2088 I2263 | R2079-Q2083 VanDerWaalsContact NH1-OE1 3.13Å; R2079-Q2083 VanDerWaalsContact NH2-OE1 3.14Å; R2079-Q2083 WeakPolarHBondContact O-CB 3.33Å; R2079-Q2083 PolarHBondContact O-N 3.13Å; D2080-Q2083 PolarHBondContact O-N 2.86Å; Y2081-Q2083 VanDerWaalsContact C-N 3.32Å; Y2081-Q2083 PolarHBondContact O-N 3.17Å; Q2083-G2087 VanDerWaalsContact O-CA 3.25Å; Q2083-G2087 WeakPolarHBondContact O-CA 3.36Å; Q2083-G2087 PolarHBondContact O-N 3.19Å; Q2083-G2087 VanDerWaalsContact O-N 3.15Å; Q2083-P2088 WeakPolarHBondContact O-CD 3.37Å; Q2083-I2263 PolarHBondContact NE2-O 2.97Å; Q2083-I2263 VanDerWaalsContact OE1-CA 3.29Å |
| 2084 | S | 86.8 | Confident | 86.1 | Confident | 63.4 Ų | 63.4 | 43.7 Ų | 43.7 | 44% | 0.443 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -74.6 | -32.2 | -179.4 | 62.6 | 0 | 0 | 0 | 0 | 114.1 | D2080 Y2081 L2082 P2088 | D2080-S2084 WeakPolarHBondContact O-CB 3.34Å; D2080-S2084 PolarHBondContact O-N 3.15Å; D2080-S2084 VanDerWaalsContact O-N 3.07Å; D2080-S2084 PolarHBondContact O-OG 3.19Å; Y2081-S2084 PolarHBondContact O-N 3.15Å; Y2081-S2084 VanDerWaalsContact O-N 3.1Å; Y2081-S2084 PolarHBondContact O-OG 3.12Å; Y2081-S2084 VanDerWaalsContact O-OG 3.11Å; L2082-S2084 VanDerWaalsContact C-N 3.34Å; L2082-S2084 PolarHBondContact O-N 3.03Å; S2084-P2088 WeakPolarHBondContact O-CD 3.38Å |
| 2085 | V | 89.1 | Confident | 85.4 | Confident | 4.4 Ų | 4.4 | 50.8 Ų | 50.8 | 3% | 0.027 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -87.1 | -51 | -178.5 | 176.5 | 0 | 0 | 0 | 0 | 111.8 | Y2081 L2082 K2202 L2203 | Y2081-V2085 HydrophobicContact CD2-CG2 3.91Å; Y2081-V2085 HydrophobicContact CE1-CG2 4.45Å; Y2081-V2085 HydrophobicContact CE2-CG2 3.64Å; Y2081-V2085 HydrophobicContact CG-CG2 4.49Å; Y2081-V2085 VanDerWaalsContact O-CB 3.32Å; Y2081-V2085 WeakPolarHBondContact O-CB 3.31Å; Y2081-V2085 VanDerWaalsContact O-CG2 3.31Å; Y2081-V2085 WeakPolarHBondContact O-CG2 3.42Å; Y2081-V2085 PolarHBondContact O-N 3.17Å; L2082-V2085 PolarHBondContact O-N 3.07Å; V2085-K2202 HydrophobicContact CG1-CG 4.24Å; V2085-K2202 VanDerWaalsContact O-CG 3.28Å; V2085-K2202 WeakPolarHBondContact O-CG 3.38Å; V2085-L2203 HydrophobicContact CG1-CB 4.45Å; V2085-L2203 HydrophobicContact CG1-CD1 4.41Å |
| 2086 | L | 89.1 | Confident | 84.8 | Confident | 1.6 Ų | 1.6 | 49.3 Ų | 49.3 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -89.3 | -37.7 | -174 | -54.7 | -179.8 | 0 | 0 | 0 | 112.6 | L2082 V2089 L2090 L2199 L2203 A2254 V2255 I2263 | L2082-L2086 HydrophobicContact CB-CD1 4.43Å; L2082-L2086 HydrophobicContact CD2-CD1 3.76Å; L2082-L2086 HydrophobicContact CD2-CG 4.4Å; L2082-L2086 WeakPolarHBondContact O-CA 3.38Å; L2082-L2086 VanDerWaalsContact O-CB 3.29Å; L2082-L2086 WeakPolarHBondContact O-CB 3.46Å; L2082-L2086 PolarHBondContact O-N 3.12Å; L2086-V2089 PolarHBondContact O-N 3.13Å; L2086-V2089 VanDerWaalsContact O-N 3.09Å; L2086-L2090 HydrophobicContact CB-CD1 3.81Å; L2086-L2090 HydrophobicContact CB-CG 4.36Å; L2086-L2090 WeakPolarHBondContact O-CB 3.31Å; L2086-L2090 VanDerWaalsContact O-CG 3.3Å; L2086-L2090 WeakPolarHBondContact O-CG 3.41Å; L2086-L2090 PolarHBondContact O-N 2.97Å; L2086-L2199 HydrophobicContact CD2-CD1 3.92Å; L2086-L2199 HydrophobicContact CD2-CD2 3.85Å; L2086-L2199 HydrophobicContact CD2-CG 4.25Å; L2086-L2203 HydrophobicContact CD2-CD1 4.43Å; L2086-A2254 HydrophobicContact CD1-CB 4.07Å; L2086-V2255 HydrophobicContact CD1-CG2 3.92Å; L2086-V2255 HydrophobicContact CD2-CG2 4.37Å; L2086-I2263 HydrophobicContact CD1-CD1 4.37Å |
| 2087 | G | 85.6 | Confident | 83.8 | Confident | 7.6 Ų | 7.6 | 45.6 Ų | 45.6 | 8% | 0.078 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -50 | -51.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q2083 V2089 L2090 M2091 | Q2083-G2087 VanDerWaalsContact O-CA 3.25Å; Q2083-G2087 WeakPolarHBondContact O-CA 3.36Å; Q2083-G2087 PolarHBondContact O-N 3.19Å; Q2083-G2087 VanDerWaalsContact O-N 3.15Å; G2087-V2089 VanDerWaalsContact C-N 3.31Å; G2087-V2089 PolarHBondContact O-N 3.2Å; G2087-L2090 PolarHBondContact O-N 2.93Å; G2087-M2091 WeakPolarHBondContact O-CB 3.28Å; G2087-M2091 WeakPolarHBondContact O-CG 3.36Å; G2087-M2091 PolarHBondContact O-N 3.17Å |
| 2088 | P | 85.9 | Confident | 82.2 | Confident | 76.2 Ų | 76.2 | 47 Ų | 47 | 50% | 0.495 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61 | -35.5 | 177.4 | -25.2 | 35 | 0 | 0 | 0 | 113.9 | Q2083 S2084 E2092 | Q2083-P2088 WeakPolarHBondContact O-CD 3.37Å; S2084-P2088 WeakPolarHBondContact O-CD 3.38Å; P2088-E2092 WeakPolarHBondContact O-CB 3.36Å; P2088-E2092 PolarHBondContact O-N 3.11Å; P2088-E2092 VanDerWaalsContact O-N 3.14Å |
| 2089 | V | 85.7 | Confident | 80.2 | Confident | 11.4 Ų | 11.4 | 49.7 Ų | 49.7 | 7% | 0.069 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -76.1 | -42.2 | -179.3 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | L2086 G2087 M2091 E2092 L2093 L2198 L2199 K2202 | L2086-V2089 PolarHBondContact O-N 3.13Å; L2086-V2089 VanDerWaalsContact O-N 3.09Å; G2087-V2089 VanDerWaalsContact C-N 3.31Å; G2087-V2089 PolarHBondContact O-N 3.2Å; V2089-M2091 VanDerWaalsContact C-N 3.32Å; V2089-M2091 PolarHBondContact O-N 2.66Å; V2089-E2092 WeakPolarHBondContact O-CB 3.25Å; V2089-E2092 PolarHBondContact O-N 3.05Å; V2089-L2093 HydrophobicContact CG1-CD1 4.38Å; V2089-L2093 HydrophobicContact CG1-CG 4.46Å; V2089-L2093 WeakPolarHBondContact O-CG 3.39Å; V2089-L2093 PolarHBondContact O-N 3.13Å; V2089-L2198 HydrophobicContact CG1-CD2 3.91Å; V2089-L2198 HydrophobicContact CG1-CG 3.85Å; V2089-L2199 HydrophobicContact CB-CD1 3.84Å; V2089-L2199 HydrophobicContact CG1-CB 4.18Å; V2089-L2199 HydrophobicContact CG1-CD1 3.86Å; V2089-L2199 HydrophobicContact CG1-CG 4.24Å; V2089-L2199 HydrophobicContact CG2-CD1 4.43Å; V2089-K2202 HydrophobicContact CG2-CB 3.97Å; V2089-K2202 HydrophobicContact CG2-CG 3.78Å |
| 2090 | L | 86.4 | Confident | 77.9 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 177.3 | -68.7 | 168.2 | 0 | 0 | 0 | 111.2 | L2086 G2087 E2092 L2093 V2094 L2199 P2258 I2263 L2264 L2276 | L2086-L2090 HydrophobicContact CB-CD1 3.81Å; L2086-L2090 HydrophobicContact CB-CG 4.36Å; L2086-L2090 WeakPolarHBondContact O-CB 3.31Å; L2086-L2090 VanDerWaalsContact O-CG 3.3Å; L2086-L2090 WeakPolarHBondContact O-CG 3.41Å; L2086-L2090 PolarHBondContact O-N 2.97Å; G2087-L2090 PolarHBondContact O-N 2.93Å; L2090-E2092 VanDerWaalsContact C-N 3.31Å; L2090-E2092 PolarHBondContact O-N 3.19Å; L2090-L2093 PolarHBondContact O-N 2.95Å; L2090-V2094 WeakPolarHBondContact O-CG2 3.35Å; L2090-V2094 PolarHBondContact O-N 3.16Å; L2090-L2199 HydrophobicContact CD2-CD1 4.13Å; L2090-P2258 HydrophobicContact CD1-CB 3.81Å; L2090-I2263 HydrophobicContact CD1-CG2 3.8Å; L2090-L2264 HydrophobicContact CB-CD1 4.36Å; L2090-L2264 HydrophobicContact CB-CD2 4.29Å; L2090-L2264 HydrophobicContact CB-CG 4.43Å; L2090-L2276 HydrophobicContact CD2-CD1 4.27Å; L2090-L2276 HydrophobicContact CD2-CD2 3.48Å; L2090-L2276 VanDerWaalsContact CD2-CD2 3.48Å; L2090-L2276 HydrophobicContact CD2-CG 4.5Å |
| 2091 | M | 82.5 | Confident | 75.4 | Confident | 70.8 Ų | 70.8 | 49.8 Ų | 49.8 | 35% | 0.349 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 173.5 | -93.3 | -55.5 | -166.6 | 0 | 0 | 112.3 | G2087 V2089 V2094 R2095 L2264 F2266 | G2087-M2091 WeakPolarHBondContact O-CB 3.28Å; G2087-M2091 WeakPolarHBondContact O-CG 3.36Å; G2087-M2091 PolarHBondContact O-N 3.17Å; V2089-M2091 VanDerWaalsContact C-N 3.32Å; V2089-M2091 PolarHBondContact O-N 2.66Å; M2091-V2094 PolarHBondContact O-N 2.96Å; M2091-R2095 VanDerWaalsContact O-CB 3.31Å; M2091-R2095 WeakPolarHBondContact O-CB 3.33Å; M2091-R2095 VanDerWaalsContact O-CG 3.32Å; M2091-R2095 WeakPolarHBondContact O-CG 3.36Å; M2091-R2095 PolarHBondContact O-N 3.23Å; M2091-L2264 HydrophobicContact CB-CD2 4.3Å; M2091-L2264 HydrophobicContact CE-CD2 3.69Å; M2091-L2264 HydrophobicContact CG-CD2 3.77Å; M2091-L2264 HydrophobicContact SD-CD2 3.81Å; M2091-F2266 HydrophobicContact CE-CE1 3.91Å; M2091-F2266 HydrophobicContact CE-CZ 4.39Å; M2091-F2266 HydrophobicContact SD-CE1 3.84Å; M2091-F2266 HydrophobicContact SD-CZ 3.86Å |
| 2092 | E | 82.3 | Confident | 72.4 | Confident | 65.2 Ų | 65.2 | 55 Ų | 55 | 31% | 0.305 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68 | -36.3 | 176.4 | 179.3 | 60.1 | -168.5 | 0 | 0 | 112.7 | P2088 V2089 L2090 V2094 R2095 R2096 | P2088-E2092 WeakPolarHBondContact O-CB 3.36Å; P2088-E2092 PolarHBondContact O-N 3.11Å; P2088-E2092 VanDerWaalsContact O-N 3.14Å; V2089-E2092 WeakPolarHBondContact O-CB 3.25Å; V2089-E2092 PolarHBondContact O-N 3.05Å; L2090-E2092 VanDerWaalsContact C-N 3.31Å; L2090-E2092 PolarHBondContact O-N 3.19Å; E2092-V2094 VanDerWaalsContact C-N 3.34Å; E2092-V2094 PolarHBondContact O-N 3.18Å; E2092-R2095 PolarHBondContact O-N 3.3Å; E2092-R2095 IonicContact OE1-CZ 3.14Å; E2092-R2095 IonicContact OE1-NE 2.72Å; E2092-R2095 IonicContact OE1-NH2 2.71Å; E2092-R2095 PolarHBondContact OE1-NH2 3.07Å; E2092-R2095 IonicContact OE2-CZ 2.71Å; E2092-R2095 IonicContact OE2-NE 3.85Å; E2092-R2095 PolarHBondContact OE2-NE 3.13Å; E2092-R2095 IonicContact OE2-NH2 3.76Å; E2092-R2095 PolarHBondContact OE2-NH2 2.98Å; E2092-R2095 VanDerWaalsContact OE2-NH2 3.16Å; E2092-R2096 VanDerWaalsContact CD-NH1 3.3Å; E2092-R2096 VanDerWaalsContact CG-NH1 3.31Å; E2092-R2096 WeakPolarHBondContact O-CB 3.48Å; E2092-R2096 VanDerWaalsContact O-CG 3.31Å; E2092-R2096 WeakPolarHBondContact O-CG 3.39Å; E2092-R2096 PolarHBondContact O-N 3.19Å; E2092-R2096 VanDerWaalsContact O-N 3.12Å; E2092-R2096 VanDerWaalsContact OE1-CD 3.27Å; E2092-R2096 WeakPolarHBondContact OE1-CD 3.46Å; E2092-R2096 WeakPolarHBondContact OE1-CG 3.43Å; E2092-R2096 IonicContact OE1-CZ 3.25Å; E2092-R2096 IonicContact OE1-NE 2.89Å; E2092-R2096 IonicContact OE1-NH1 2.97Å; E2092-R2096 PolarHBondContact OE1-NH1 3.24Å; E2092-R2096 IonicContact OE1-NH2 2.99Å |
| 2093 | L | 81.3 | Confident | 69.6 | Low | 3.8 Ų | 3.8 | 57.9 Ų | 57.9 | 2% | 0.02 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 173.4 | -70.6 | 174.6 | 0 | 0 | 0 | 112.2 | V2089 L2090 R2096 D2097 A2195 L2198 L2199 L2276 I2279 | V2089-L2093 HydrophobicContact CG1-CD1 4.38Å; V2089-L2093 HydrophobicContact CG1-CG 4.46Å; V2089-L2093 WeakPolarHBondContact O-CG 3.39Å; V2089-L2093 PolarHBondContact O-N 3.13Å; L2090-L2093 PolarHBondContact O-N 2.95Å; L2093-R2096 PolarHBondContact O-N 2.98Å; L2093-D2097 PolarHBondContact O-N 3.24Å; L2093-A2195 HydrophobicContact CD1-CB 4.39Å; L2093-A2195 HydrophobicContact CD2-CB 3.64Å; L2093-L2198 HydrophobicContact CD2-CD2 4.49Å; L2093-L2199 HydrophobicContact CD1-CD1 4.41Å; L2093-L2276 HydrophobicContact CD1-CD2 4.38Å; L2093-I2279 HydrophobicContact CD1-CD1 4.49Å |
| 2094 | V | 79.8 | Confident | 67 | Low | 18.6 Ų | 18.6 | 63.8 Ų | 63.8 | 11% | 0.113 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.8 | -44.3 | 172.7 | 174.8 | 0 | 0 | 0 | 0 | 111 | L2090 M2091 E2092 R2096 D2097 A2098 L2264 F2266 P2268 V2272 | L2090-V2094 WeakPolarHBondContact O-CG2 3.35Å; L2090-V2094 PolarHBondContact O-N 3.16Å; M2091-V2094 PolarHBondContact O-N 2.96Å; E2092-V2094 VanDerWaalsContact C-N 3.34Å; E2092-V2094 PolarHBondContact O-N 3.18Å; V2094-R2096 VanDerWaalsContact C-N 3.28Å; V2094-R2096 PolarHBondContact O-N 3.15Å; V2094-D2097 PolarHBondContact O-N 3.45Å; V2094-D2097 VanDerWaalsContact O-N 3.11Å; V2094-A2098 WeakPolarHBondContact O-CB 3.48Å; V2094-A2098 PolarHBondContact O-N 3.13Å; V2094-L2264 HydrophobicContact CG2-CD1 4.24Å; V2094-F2266 HydrophobicContact CB-CE2 4.38Å; V2094-F2266 HydrophobicContact CB-CZ 4.31Å; V2094-F2266 HydrophobicContact CG1-CE2 3.72Å; V2094-F2266 HydrophobicContact CG1-CZ 3.82Å; V2094-F2266 HydrophobicContact CG2-CE2 3.99Å; V2094-F2266 HydrophobicContact CG2-CZ 4.2Å; V2094-P2268 HydrophobicContact CG2-CB 4.39Å; V2094-V2272 HydrophobicContact CG2-CG1 4.26Å |
| 2095 | R | 76.3 | Confident | 64.3 | Low | 154.8 Ų | 154.8 | 67.8 Ų | 67.8 | 58% | 0.584 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.5 | -35 | 179.5 | -133.9 | -177.4 | 171.3 | 97.8 | 4.5 | 112.5 | M2091 E2092 D2097 A2098 | M2091-R2095 VanDerWaalsContact O-CB 3.31Å; M2091-R2095 WeakPolarHBondContact O-CB 3.33Å; M2091-R2095 VanDerWaalsContact O-CG 3.32Å; M2091-R2095 WeakPolarHBondContact O-CG 3.36Å; M2091-R2095 PolarHBondContact O-N 3.23Å; E2092-R2095 PolarHBondContact O-N 3.3Å; E2092-R2095 IonicContact OE1-CZ 3.14Å; E2092-R2095 IonicContact OE1-NE 2.72Å; E2092-R2095 IonicContact OE1-NH2 2.71Å; E2092-R2095 PolarHBondContact OE1-NH2 3.07Å; E2092-R2095 IonicContact OE2-CZ 2.71Å; E2092-R2095 IonicContact OE2-NE 3.85Å; E2092-R2095 PolarHBondContact OE2-NE 3.13Å; E2092-R2095 IonicContact OE2-NH2 3.76Å; E2092-R2095 PolarHBondContact OE2-NH2 2.98Å; E2092-R2095 VanDerWaalsContact OE2-NH2 3.16Å; R2095-D2097 VanDerWaalsContact C-N 3.3Å; R2095-D2097 PolarHBondContact O-N 3.16Å; R2095-A2098 PolarHBondContact O-N 3.22Å |
| 2096 | R | 72.3 | Confident | 61.5 | Low | 100.4 Ų | 100.4 | 73.7 Ų | 73.7 | 38% | 0.379 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.8 | -34 | 174.5 | -80.2 | 179.4 | 143.2 | 86.3 | 1.2 | 113.4 | E2092 L2093 V2094 A2098 L2170 F2194 | E2092-R2096 VanDerWaalsContact CD-NH1 3.3Å; E2092-R2096 VanDerWaalsContact CG-NH1 3.31Å; E2092-R2096 WeakPolarHBondContact O-CB 3.48Å; E2092-R2096 VanDerWaalsContact O-CG 3.31Å; E2092-R2096 WeakPolarHBondContact O-CG 3.39Å; E2092-R2096 PolarHBondContact O-N 3.19Å; E2092-R2096 VanDerWaalsContact O-N 3.12Å; E2092-R2096 VanDerWaalsContact OE1-CD 3.27Å; E2092-R2096 WeakPolarHBondContact OE1-CD 3.46Å; E2092-R2096 WeakPolarHBondContact OE1-CG 3.43Å; E2092-R2096 IonicContact OE1-CZ 3.25Å; E2092-R2096 IonicContact OE1-NE 2.89Å; E2092-R2096 IonicContact OE1-NH1 2.97Å; E2092-R2096 PolarHBondContact OE1-NH1 3.24Å; E2092-R2096 IonicContact OE1-NH2 2.99Å; L2093-R2096 PolarHBondContact O-N 2.98Å; V2094-R2096 VanDerWaalsContact C-N 3.28Å; V2094-R2096 PolarHBondContact O-N 3.15Å; R2096-A2098 VanDerWaalsContact C-N 3.31Å; R2096-L2170 HydrophobicContact CB-CD2 4.05Å; R2096-L2170 VanDerWaalsContact O-CD1 3.31Å; R2096-L2170 WeakPolarHBondContact O-CD1 3.45Å; R2096-L2170 WeakPolarHBondContact O-CD2 3.49Å; R2096-F2194 VanDerWaalsContact NH2-CZ 3.31Å |
| 2097 | D | 65.8 | Low | 58.7 | Low | 25.8 Ų | 25.8 | 80.4 Ų | 80.4 | 14% | 0.138 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -76.8 | -32.4 | 175.5 | -166.6 | 57.4 | 0 | 0 | 0 | 112.2 | L2093 V2094 R2095 G2099 R2271 V2272 | L2093-D2097 PolarHBondContact O-N 3.24Å; V2094-D2097 PolarHBondContact O-N 3.45Å; V2094-D2097 VanDerWaalsContact O-N 3.11Å; R2095-D2097 VanDerWaalsContact C-N 3.3Å; R2095-D2097 PolarHBondContact O-N 3.16Å; D2097-G2099 VanDerWaalsContact C-N 3.35Å; D2097-G2099 PolarHBondContact O-N 3.06Å; D2097-G2099 VanDerWaalsContact O-N 3.14Å; D2097-R2271 IonicContact OD1-CZ 2.74Å; D2097-R2271 VanDerWaalsContact OD1-CZ 3.31Å; D2097-R2271 IonicContact OD1-NE 3.1Å; D2097-R2271 PolarHBondContact OD1-NE 2.93Å; D2097-R2271 IonicContact OD1-NH2 2.66Å; D2097-R2271 PolarHBondContact OD1-NH2 2.85Å; D2097-R2271 IonicContact OD2-CZ 3.44Å; D2097-R2271 IonicContact OD2-NE 2.74Å; D2097-R2271 PolarHBondContact OD2-NE 3.11Å; D2097-R2271 IonicContact OD2-NH2 2.68Å; D2097-R2271 PolarHBondContact OD2-NH2 3.13Å; D2097-V2272 HydrophobicContact CB-CG2 3.75Å; D2097-V2272 WeakPolarHBondContact OD2-CG2 3.47Å |
| 2098 | A | 54.2 | Low | 56 | Low | 59.4 Ų | 59.4 | 83.9 Ų | 83.9 | 49% | 0.491 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -2.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | V2094 R2095 R2096 N2100 S2101 | V2094-A2098 WeakPolarHBondContact O-CB 3.48Å; V2094-A2098 PolarHBondContact O-N 3.13Å; R2095-A2098 PolarHBondContact O-N 3.22Å; R2096-A2098 VanDerWaalsContact C-N 3.31Å; A2098-N2100 PolarHBondContact O-N 3.14Å; A2098-S2101 PolarHBondContact O-N 3.19Å |
| 2099 | G | 45.3 | Very low | 53.4 | Low | 56.2 Ų | 56.2 | 85.8 Ų | 85.8 | 58% | 0.579 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -25.2 | 36.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | D2097 S2101 | D2097-G2099 VanDerWaalsContact C-N 3.35Å; D2097-G2099 PolarHBondContact O-N 3.06Å; D2097-G2099 VanDerWaalsContact O-N 3.14Å; G2099-S2101 PolarHBondContact O-N 3.18Å; G2099-S2101 PolarHBondContact O-OG 2.89Å |
| 2100 | N | 35.5 | Very low | 50.8 | Low | 132 Ų | 132 | 90.3 Ų | 90.3 | 71% | 0.706 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | 25.3 | -179.7 | -122.9 | 9.3 | 0 | 0 | 0 | 115.2 | A2098 S2102 S2168 | A2098-N2100 PolarHBondContact O-N 3.14Å; N2100-S2102 PolarHBondContact O-N 3.03Å; N2100-S2102 VanDerWaalsContact O-N 3.09Å; N2100-S2168 PolarHBondContact ND2-O 3.48Å |
| 2101 | S | 32.5 | Very low | 48.2 | Very low | 91.8 Ų | 91.8 | 95.8 Ų | 95.8 | 64% | 0.642 | 56% | 0.56 | S | S | * | * | trans | -114.5 | 103.5 | 176.7 | -74.2 | 0 | 0 | 0 | 0 | 112.2 | A2098 G2099 A2103 Y2104 | A2098-S2101 PolarHBondContact O-N 3.19Å; G2099-S2101 PolarHBondContact O-N 3.18Å; G2099-S2101 PolarHBondContact O-OG 2.89Å; S2101-A2103 PolarHBondContact O-N 3.08Å; S2101-Y2104 PolarHBondContact O-N 3.05Å | ||
| 2102 | S | 28.6 | Very low | 45.7 | Very low | 116.6 Ų | 116.6 | 98.2 Ų | 98.2 | 82% | 0.815 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 45.2 | 177.9 | -177.7 | 0 | 0 | 0 | 0 | 113.5 | N2100 | N2100-S2102 PolarHBondContact O-N 3.03Å; N2100-S2102 VanDerWaalsContact O-N 3.09Å |
| 2103 | A | 30.6 | Very low | 43.2 | Very low | 77.2 Ų | 77.2 | 103.7 Ų | 103.7 | 64% | 0.638 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.6 | -0.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S2101 | S2101-A2103 PolarHBondContact O-N 3.08Š|
| 2104 | Y | 31.6 | Very low | 40.7 | Very low | 200.4 Ų | 200.4 | 110 Ų | 110 | 79% | 0.786 | 65% | 0.647 | S | S | * | * | trans | -128.5 | 42.2 | 174 | -89.1 | -78.7 | 0 | 0 | 0 | 113.1 | S2101 T2106 | S2101-Y2104 PolarHBondContact O-N 3.05Å; Y2104-T2106 PolarHBondContact O-N 2.98Å | ||
| 2105 | I | 30.9 | Very low | 38.3 | Very low | 148.2 Ų | 148.2 | 113.4 Ų | 113.4 | 76% | 0.76 | 68% | 0.677 | S | S | * | * | trans | -105.7 | 52.6 | 175 | -52.1 | -179.8 | 0 | 0 | 0 | 110.3 | ||||
| 2106 | T | 29.1 | Very low | 36 | Very low | 128 Ų | 128 | 112.6 Ų | 112.6 | 79% | 0.785 | 69% | 0.69 | S | S | * | * | trans | -142 | 56.3 | 169.3 | -37 | 0 | 0 | 0 | 0 | 111.7 | Y2104 | Y2104-T2106 PolarHBondContact O-N 2.98Š| ||
| 2107 | L | 30.4 | Very low | 34 | Very low | 143 Ų | 143 | 112.4 Ų | 112.4 | 75% | 0.749 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -130.9 | 114.4 | 169.7 | -72.7 | 172.4 | 0 | 0 | 0 | 110.7 | ||
| 2108 | A | 30 | Very low | 32.1 | Very low | 79.4 Ų | 79.4 | 115.7 Ų | 115.7 | 66% | 0.656 | 74% | 0.74 | S | S | * | * | trans | -88.7 | 128.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S2110 | A2108-S2110 PolarHBondContact O-N 3.13Å; A2108-S2110 VanDerWaalsContact O-N 3.15Å | ||
| 2109 | P | 31.1 | Very low | 31 | Very low | 116.4 Ų | 116.4 | 119.3 Ų | 119.3 | 76% | 0.756 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 140.5 | 159.5 | 30.8 | -32.2 | 0 | 0 | 0 | 110 | ||
| 2110 | S | 29.9 | Very low | 30.2 | Very low | 105.8 Ų | 105.8 | 125.3 Ų | 125.3 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 137.4 | 171.9 | 16.9 | 0 | 0 | 0 | 0 | 110.7 | A2108 P2112 | A2108-S2110 PolarHBondContact O-N 3.13Å; A2108-S2110 VanDerWaalsContact O-N 3.15Å; S2110-P2112 WeakPolarHBondContact O-CD 3.32Å |
| 2111 | P | 32.5 | Very low | 30.1 | Very low | 117.8 Ų | 117.8 | 126 Ų | 126 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 132.5 | -176.9 | 27.7 | -34.1 | 0 | 0 | 0 | 111.5 | M2113 | P2111-M2113 PolarHBondContact O-N 3.14Š|
| 2112 | P | 29.9 | Very low | 30 | Very low | 120.8 Ų | 120.8 | 127.9 Ų | 127.9 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 129.8 | 171.8 | 31.1 | -32.5 | 0 | 0 | 0 | 110.5 | S2110 V2114 | S2110-P2112 WeakPolarHBondContact O-CD 3.32Å; P2112-V2114 PolarHBondContact O-N 3.32Å; P2112-V2114 VanDerWaalsContact O-N 3.14Å |
| 2113 | M | 29.4 | Very low | 30.1 | Very low | 180.8 Ų | 180.8 | 130.6 Ų | 130.6 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | trans | -71.4 | 120.7 | 168.3 | -77.5 | -179.7 | 65 | 0 | 0 | 110.3 | P2111 A2115 | P2111-M2113 PolarHBondContact O-N 3.14Å; M2113-A2115 PolarHBondContact O-N 2.99Å; M2113-A2115 VanDerWaalsContact O-N 3.08Å | ||
| 2114 | V | 29.4 | Very low | 30.1 | Very low | 136.8 Ų | 136.8 | 133 Ų | 133 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | -70.9 | 124.6 | 162.9 | 179 | 0 | 0 | 0 | 0 | 111 | P2112 | P2112-V2114 PolarHBondContact O-N 3.32Å; P2112-V2114 VanDerWaalsContact O-N 3.14Å | ||
| 2115 | A | 29.4 | Very low | 30.2 | Very low | 90.6 Ų | 90.6 | 130.2 Ų | 130.2 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | -96.1 | 110.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M2113 A2117 | M2113-A2115 PolarHBondContact O-N 2.99Å; M2113-A2115 VanDerWaalsContact O-N 3.08Å; A2115-A2117 PolarHBondContact O-N 2.97Å; A2115-A2117 VanDerWaalsContact O-N 3.12Å | ||
| 2116 | T | 28.3 | Very low | 30.2 | Very low | 137.2 Ų | 137.2 | 132.6 Ų | 132.6 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | trans | -43 | 122.3 | 164.4 | -46.6 | 0 | 0 | 0 | 0 | 114.4 | A2118 | T2116-A2118 PolarHBondContact O-N 2.84Å; T2116-A2118 VanDerWaalsContact O-N 3.12Å | ||
| 2117 | A | 28.5 | Very low | 30.4 | Very low | 96.2 Ų | 96.2 | 131.8 Ų | 131.8 | 80% | 0.795 | 77% | 0.773 | S | S | * | * | trans | -94.9 | 121.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A2115 | A2115-A2117 PolarHBondContact O-N 2.97Å; A2115-A2117 VanDerWaalsContact O-N 3.12Å | ||
| 2118 | A | 27.7 | Very low | 30.3 | Very low | 95.6 Ų | 95.6 | 131 Ų | 131 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -107.8 | 114.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T2116 K2120 | T2116-A2118 PolarHBondContact O-N 2.84Å; T2116-A2118 VanDerWaalsContact O-N 3.12Å; A2118-K2120 PolarHBondContact O-N 2.83Å | ||
| 2119 | V | 30.9 | Very low | 30.2 | Very low | 134.4 Ų | 134.4 | 133.8 Ų | 133.8 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | trans | -118.7 | 134.4 | 140.8 | 166.9 | 0 | 0 | 0 | 0 | 112.2 | N2121 | V2119-N2121 PolarHBondContact O-N 2.84Š| ||
| 2120 | K | 28.4 | Very low | 30 | Very low | 182.6 Ų | 182.6 | 133.9 Ų | 133.9 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -41.6 | 134.2 | 165.1 | -62.5 | 171.3 | -178.4 | 174.6 | 0 | 115 | A2118 | A2118-K2120 PolarHBondContact O-N 2.83Š| ||
| 2121 | N | 32 | Very low | 30 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | 145 | 139.9 | 125.6 | -77.2 | -10.8 | 0 | 0 | 0 | 115.7 | V2119 | V2119-N2121 PolarHBondContact O-N 2.84Š| |||
| 2122 | N | 30.3 | Very low | 29.8 | Very low | 132.8 Ų | 132.8 | 139.6 Ų | 139.6 | 71% | 0.71 | 78% | 0.781 | S | S | * | * | trans | -168.1 | 144.4 | 146.6 | -114.3 | -5.2 | 0 | 0 | 0 | 116.8 | ||||
| 2123 | F | 32.7 | Very low | 29.7 | Very low | 173.6 Ų | 173.6 | 138.3 Ų | 138.3 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | trans | 69.8 | 126.8 | 139.8 | -88 | -85.4 | 0 | 0 | 0 | 120.1 | ||||
| 2124 | N | 30 | Very low | 29.6 | Very low | 126.6 Ų | 126.6 | 136.4 Ų | 136.4 | 68% | 0.677 | 77% | 0.768 | S | S | * | * | trans | 77.8 | 132 | 144.5 | -67.5 | -15.7 | 0 | 0 | 0 | 121.6 | ||||
| 2125 | N | 33.5 | Very low | 29.7 | Very low | 141.4 Ų | 141.4 | 137 Ų | 137 | 76% | 0.756 | 77% | 0.767 | S | S | * | * | trans | 96 | 99.5 | 135.2 | -73.4 | -23 | 0 | 0 | 0 | 120.3 | ||||
| 2126 | K | 30.5 | Very low | 29.6 | Very low | 198.2 Ų | 198.2 | 140.7 Ų | 140.7 | 86% | 0.862 | 77% | 0.772 | S | S | * | * | 58.3 | 148.4 | 129 | -82.8 | -171.4 | 174.2 | -178.8 | 0 | 120.2 | |||||
| 2127 | P | 33.2 | Very low | 29.6 | Very low | 111.8 Ų | 111.8 | 138.9 Ų | 138.9 | 73% | 0.726 | 77% | 0.766 | S | S | * | * | trans | -119.2 | -179.9 | -139.1 | 37.3 | -22.4 | 0 | 0 | 0 | 113.7 | ||||
| 2128 | V | 28.1 | Very low | 29.6 | Very low | 125.8 Ų | 125.8 | 140.6 Ų | 140.6 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | 160.4 | 129.9 | 149.3 | 165.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2129 | N | 28.6 | Very low | 29.7 | Very low | 139.6 Ų | 139.6 | 146.6 Ų | 146.6 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | trans | 43 | 125.1 | 156.4 | -60.4 | -15.9 | 0 | 0 | 0 | 120.8 | ||||
| 2130 | T | 27.6 | Very low | 29.5 | Very low | 117.8 Ų | 117.8 | 147.3 Ų | 147.3 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | 96.8 | 114.4 | 109.6 | -50.1 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 2131 | I | 29.6 | Very low | 29.4 | Very low | 153.8 Ų | 153.8 | 144.8 Ų | 144.8 | 79% | 0.789 | 77% | 0.768 | S | S | * | * | trans | 106.1 | 129.2 | 142.7 | -63.3 | 175.5 | 0 | 0 | 0 | 114.1 | ||||
| 2132 | K | 28.7 | Very low | 29.2 | Very low | 188.6 Ų | 188.6 | 144.6 Ų | 144.6 | 82% | 0.82 | 77% | 0.772 | S | S | * | * | trans | -126.9 | 148.8 | 135.8 | -77.3 | 172.3 | -176.5 | 178.2 | 0 | 112 | ||||
| 2133 | S | 26.9 | Very low | 29 | Very low | 93.8 Ų | 93.8 | 147.1 Ų | 147.1 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | trans | 119.3 | 126.4 | 142.7 | 24.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 2134 | D | 27.3 | Very low | 28.7 | Very low | 141.2 Ų | 141.2 | 148 Ų | 148 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | 79.3 | 138.6 | 140.1 | -51.6 | -20.4 | 0 | 0 | 0 | 117.6 | ||||
| 2135 | N | 30.9 | Very low | 28.6 | Very low | 150.2 Ų | 150.2 | 150.1 Ų | 150.1 | 80% | 0.803 | 80% | 0.796 | S | S | * | * | trans | 117.5 | 100.9 | 149.3 | -70.7 | -44.6 | 0 | 0 | 0 | 115.9 | ||||
| 2136 | I | 27.2 | Very low | 28.2 | Very low | 166.8 Ų | 166.8 | 146.4 Ų | 146.4 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -64.2 | 123 | 141.9 | -66 | 166.5 | 0 | 0 | 0 | 111.6 | ||||
| 2137 | S | 29.6 | Very low | 28 | Very low | 100 Ų | 100 | 144.8 Ų | 144.8 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | -170 | 141.6 | 158.2 | 55.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2138 | N | 28.3 | Very low | 27.8 | Very low | 131.4 Ų | 131.4 | 148.8 Ų | 148.8 | 70% | 0.703 | 80% | 0.804 | S | S | * | * | trans | 160.4 | 132.5 | -173.1 | -80.9 | -14.6 | 0 | 0 | 0 | 113.1 | N2140 | N2138-N2140 PolarHBondContact ND2-OD1 3.2Š| ||
| 2139 | Y | 28.7 | Very low | 27.7 | Very low | 223.2 Ų | 223.2 | 148 Ų | 148 | 88% | 0.875 | 80% | 0.804 | S | S | * | * | -127.6 | 124.6 | 96.9 | -81.6 | -79.9 | 0 | 0 | 0 | 109.7 | |||||
| 2140 | N | 27.9 | Very low | 27.6 | Very low | 148.2 Ų | 148.2 | 146.6 Ų | 146.6 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | trans | -92 | 135.1 | 164.3 | -77.9 | -24.9 | 0 | 0 | 0 | 112.3 | N2138 | N2138-N2140 PolarHBondContact ND2-OD1 3.2Š| ||
| 2141 | C | 26.1 | Very low | 27.8 | Very low | 130.4 Ų | 130.4 | 148.6 Ų | 148.6 | 88% | 0.881 | 81% | 0.809 | S | S | * | * | trans | -148 | 66.3 | 155.1 | -166 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 2142 | V | 27.1 | Very low | 27.8 | Very low | 141.4 Ų | 141.4 | 147.2 Ų | 147.2 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | trans | -139.4 | 84.7 | 165.1 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 2143 | Q | 26.4 | Very low | 28 | Very low | 185.6 Ų | 185.6 | 143.5 Ų | 143.5 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -160.5 | 76.2 | 172.1 | -137.9 | 171.8 | 16.7 | 0 | 0 | 112.5 | ||||
| 2144 | Q | 27.1 | Very low | 28.3 | Very low | 191.6 Ų | 191.6 | 144.6 Ų | 144.6 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | -161.7 | 128.2 | 153.1 | -113 | 172.5 | 19.4 | 0 | 0 | 109.5 | ||||
| 2145 | L | 28.1 | Very low | 28.7 | Very low | 171.6 Ų | 171.6 | 145.1 Ų | 145.1 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | trans | 113.2 | 78.1 | 172.5 | -77.8 | 166.6 | 0 | 0 | 0 | 112 | ||||
| 2146 | G | 24.9 | Very low | 29 | Very low | 63.2 Ų | 63.2 | 144.2 Ų | 144.2 | 65% | 0.652 | 79% | 0.788 | S | S | * | * | trans | -76.5 | 161.1 | 147.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 2147 | D | 25.8 | Very low | 29.4 | Very low | 164 Ų | 164 | 142 Ų | 142 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | 89.3 | 66.3 | 167.4 | -63.2 | -18.7 | 0 | 0 | 0 | 115.1 | ||||
| 2148 | M | 29.5 | Very low | 29.7 | Very low | 196.2 Ų | 196.2 | 143.2 Ų | 143.2 | 97% | 0.967 | 77% | 0.772 | S | S | * | * | -161.4 | 131 | 125.1 | -96.7 | -151.4 | -174.8 | 0 | 0 | 110.9 | S2150 | M2148-S2150 PolarHBondContact O-N 3.44Š| |||
| 2149 | S | 26 | Very low | 30 | Very low | 109.2 Ų | 109.2 | 142.4 Ų | 142.4 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | -87.3 | 154.4 | 179.1 | 51.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2150 | S | 26.1 | Very low | 30.5 | Very low | 109.4 Ų | 109.4 | 138.1 Ų | 138.1 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | 80.3 | 99.5 | 165.9 | 65 | 0 | 0 | 0 | 0 | 116.4 | M2148 | M2148-S2150 PolarHBondContact O-N 3.44Š| ||
| 2151 | I | 31.8 | Very low | 31.1 | Very low | 161.4 Ų | 161.4 | 136 Ų | 136 | 83% | 0.828 | 75% | 0.75 | S | S | * | * | trans | -169.1 | 135.8 | 132.9 | -94.1 | 151.1 | 0 | 0 | 0 | 106.7 | T2153 | I2151-T2153 PolarHBondContact O-N 3.15Å; I2151-T2153 VanDerWaalsContact O-N 3.09Å | ||
| 2152 | N | 28.9 | Very low | 31.6 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 66% | 0.658 | 74% | 0.74 | S | S | * | * | trans | -73.2 | 108 | -175.3 | -108.6 | -13.3 | 0 | 0 | 0 | 111.5 | N2154 | N2152-N2154 VanDerWaalsContact C-N 3.28Å; N2152-N2154 PolarHBondContact O-N 3.1Å; N2152-N2154 VanDerWaalsContact O-N 3.14Å; N2152-N2154 PolarHBondContact OD1-ND2 3.03Å | ||
| 2153 | T | 33.2 | Very low | 32 | Very low | 112.6 Ų | 112.6 | 138.6 Ų | 138.6 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -3.9 | 178.4 | 46.9 | 0 | 0 | 0 | 0 | 114.5 | I2151 | I2151-T2153 PolarHBondContact O-N 3.15Å; I2151-T2153 VanDerWaalsContact O-N 3.09Å |
| 2154 | N | 32.8 | Very low | 32.3 | Very low | 115.4 Ų | 115.4 | 136 Ų | 136 | 62% | 0.617 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -22.2 | -171.2 | -63.5 | -14.5 | 0 | 0 | 0 | 113.8 | N2152 L2156 L2157 | N2152-N2154 VanDerWaalsContact C-N 3.28Å; N2152-N2154 PolarHBondContact O-N 3.1Å; N2152-N2154 VanDerWaalsContact O-N 3.14Å; N2152-N2154 PolarHBondContact OD1-ND2 3.03Å; N2154-L2156 VanDerWaalsContact C-N 3.35Å; N2154-L2156 PolarHBondContact O-N 3.15Å; N2154-L2156 VanDerWaalsContact O-N 3.1Å; N2154-L2157 PolarHBondContact O-N 3.18Å |
| 2155 | E | 35.3 | Very low | 32.6 | Very low | 152.4 Ų | 152.4 | 135.3 Ų | 135.3 | 71% | 0.712 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -71.1 | -29.1 | -178.4 | -108.1 | 171.1 | 159.6 | 0 | 0 | 112.9 | L2157 E2158 | E2155-L2157 PolarHBondContact O-N 2.99Å; E2155-E2158 PolarHBondContact O-N 3.26Å |
| 2156 | L | 37.2 | Very low | 32.7 | Very low | 131.2 Ų | 131.2 | 134.6 Ų | 134.6 | 69% | 0.687 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -77.6 | -14.8 | 178.5 | -88.9 | 163.9 | 0 | 0 | 0 | 114.3 | N2154 M2160 | N2154-L2156 VanDerWaalsContact C-N 3.35Å; N2154-L2156 PolarHBondContact O-N 3.15Å; N2154-L2156 VanDerWaalsContact O-N 3.1Å; L2156-M2160 VanDerWaalsContact O-CE 3.28Å; L2156-M2160 WeakPolarHBondContact O-CE 3.47Å; L2156-M2160 VanDerWaalsContact O-CG 3.29Å; L2156-M2160 WeakPolarHBondContact O-CG 3.27Å |
| 2157 | L | 36.6 | Very low | 33.7 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 63% | 0.628 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -89.2 | -28.9 | -176.8 | -152.9 | 70.5 | 0 | 0 | 0 | 112.8 | N2154 E2155 M2160 T2161 | N2154-L2157 PolarHBondContact O-N 3.18Å; E2155-L2157 PolarHBondContact O-N 2.99Å; L2157-M2160 HydrophobicContact CD1-CE 4.34Å; L2157-T2161 PolarHBondContact O-N 3.25Å; L2157-T2161 PolarHBondContact O-OG1 3.27Å |
| 2158 | E | 35.4 | Very low | 34.6 | Very low | 126.6 Ų | 126.6 | 132.6 Ų | 132.6 | 59% | 0.592 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -76.3 | -34.4 | 178 | -67.4 | -160.1 | 167.3 | 0 | 0 | 113 | E2155 M2160 T2161 K2162 | E2155-E2158 PolarHBondContact O-N 3.26Å; E2158-M2160 VanDerWaalsContact C-N 3.33Å; E2158-M2160 PolarHBondContact O-N 2.94Å; E2158-T2161 PolarHBondContact O-N 3.01Å; E2158-T2161 VanDerWaalsContact O-N 3.12Å; E2158-T2161 PolarHBondContact O-OG1 2.97Å; E2158-T2161 VanDerWaalsContact O-OG1 3.06Å; E2158-K2162 PolarHBondContact O-N 3.08Å; E2158-K2162 IonicContact OE2-NZ 3.52Å; E2158-K2162 PolarHBondContact OE2-NZ 3.19Å |
| 2159 | D | 35.9 | Very low | 35.9 | Very low | 114.6 Ų | 114.6 | 127 Ų | 127 | 61% | 0.613 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -68.9 | -34.3 | 175 | -85.9 | -8.4 | 0 | 0 | 0 | 112.3 | T2161 K2162 F2163 | D2159-T2161 VanDerWaalsContact C-N 3.28Å; D2159-T2161 PolarHBondContact O-N 3.2Å; D2159-K2162 PolarHBondContact O-N 3.34Å; D2159-F2163 PolarHBondContact O-N 2.99Å |
| 2160 | M | 38.1 | Very low | 38.1 | Very low | 132.8 Ų | 132.8 | 123 Ų | 123 | 65% | 0.654 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.4 | -17.8 | 176.7 | -76.2 | -174.8 | 54.5 | 0 | 0 | 113.8 | L2156 L2157 E2158 N2164 | L2156-M2160 VanDerWaalsContact O-CE 3.28Å; L2156-M2160 WeakPolarHBondContact O-CE 3.47Å; L2156-M2160 VanDerWaalsContact O-CG 3.29Å; L2156-M2160 WeakPolarHBondContact O-CG 3.27Å; L2157-M2160 HydrophobicContact CD1-CE 4.34Å; E2158-M2160 VanDerWaalsContact C-N 3.33Å; E2158-M2160 PolarHBondContact O-N 2.94Å; M2160-N2164 PolarHBondContact O-ND2 2.84Å |
| 2161 | T | 39.8 | Very low | 40.6 | Very low | 104 Ų | 104 | 118.2 Ų | 118.2 | 64% | 0.638 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -97.7 | -20.1 | 179.9 | 45 | 0 | 0 | 0 | 0 | 114.1 | L2157 E2158 D2159 | L2157-T2161 PolarHBondContact O-N 3.25Å; L2157-T2161 PolarHBondContact O-OG1 3.27Å; E2158-T2161 PolarHBondContact O-N 3.01Å; E2158-T2161 VanDerWaalsContact O-N 3.12Å; E2158-T2161 PolarHBondContact O-OG1 2.97Å; E2158-T2161 VanDerWaalsContact O-OG1 3.06Å; D2159-T2161 VanDerWaalsContact C-N 3.28Å; D2159-T2161 PolarHBondContact O-N 3.2Å |
| 2162 | K | 37.1 | Very low | 43.1 | Very low | 157 Ų | 157 | 110.9 Ų | 110.9 | 68% | 0.683 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -85.9 | -21.2 | 180 | -75.9 | 171.1 | -175.6 | 158.4 | 0 | 115.1 | E2158 D2159 N2164 | E2158-K2162 PolarHBondContact O-N 3.08Å; E2158-K2162 IonicContact OE2-NZ 3.52Å; E2158-K2162 PolarHBondContact OE2-NZ 3.19Å; D2159-K2162 PolarHBondContact O-N 3.34Å; K2162-N2164 VanDerWaalsContact C-N 3.27Å; K2162-N2164 PolarHBondContact O-N 3.09Å |
| 2163 | F | 35.8 | Very low | 45.8 | Very low | 167.8 Ų | 167.8 | 106.1 Ų | 106.1 | 74% | 0.736 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -90 | 3.4 | -174.8 | -116.5 | -83.9 | 0 | 0 | 0 | 115.7 | D2159 Q2165 | D2159-F2163 PolarHBondContact O-N 2.99Å; F2163-Q2165 PolarHBondContact O-N 3.17Å |
| 2164 | N | 33.3 | Very low | 48.4 | Very low | 131 Ų | 131 | 100.7 Ų | 100.7 | 70% | 0.701 | 51% | 0.512 | S | S | * | . | trans | -105.1 | 25.4 | -157.1 | -137.4 | -12 | 0 | 0 | 0 | 115.4 | M2160 K2162 | M2160-N2164 PolarHBondContact O-ND2 2.84Å; K2162-N2164 VanDerWaalsContact C-N 3.27Å; K2162-N2164 PolarHBondContact O-N 3.09Å | ||
| 2165 | Q | 33.8 | Very low | 50.9 | Low | 177.4 Ų | 177.4 | 96.4 Ų | 96.4 | 83% | 0.829 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -127.5 | -3.7 | -176.2 | -73 | -171.5 | -11.2 | 0 | 0 | 115.8 | F2163 | F2163-Q2165 PolarHBondContact O-N 3.17Š|
| 2166 | N | 30.3 | Very low | 53.1 | Low | 156.6 Ų | 156.6 | 93 Ų | 93 | 84% | 0.837 | 48% | 0.48 | S | S | * | . | trans | -156.1 | 90.3 | -177.8 | -76.3 | -43.3 | 0 | 0 | 0 | 114.4 | ||||
| 2167 | K | 44.1 | Very low | 55.2 | Low | 84.2 Ų | 84.2 | 97.1 Ų | 97.1 | 37% | 0.366 | 49% | 0.486 | S | S | . | . | trans | -156.3 | 87.8 | 159.7 | -114.6 | 170.8 | -175.4 | 176 | 0 | 112.2 | N2169 L2170 D2187 N2191 | K2167-N2169 VanDerWaalsContact C-N 3.32Å; K2167-N2169 PolarHBondContact O-N 3.35Å; K2167-L2170 HydrophobicContact CB-CD1 4.1Å; K2167-L2170 HydrophobicContact CD-CD1 4.19Å; K2167-L2170 HydrophobicContact CD-CD2 4.33Å; K2167-L2170 HydrophobicContact CD-CG 3.97Å; K2167-L2170 HydrophobicContact CG-CD1 4.05Å; K2167-L2170 HydrophobicContact CG-CG 4.21Å; K2167-L2170 WeakPolarHBondContact O-CD1 3.47Å; K2167-D2187 VanDerWaalsContact CE-CG 3.47Å; K2167-D2187 WeakPolarHBondContact CE-OD1 3.25Å; K2167-D2187 IonicContact NZ-OD1 3.31Å; K2167-D2187 PolarHBondContact NZ-OD1 3Å; K2167-N2191 WeakPolarHBondContact CE-OD1 3.5Å; K2167-N2191 PolarHBondContact NZ-OD1 3.05Å | ||
| 2168 | S | 45.4 | Very low | 57.3 | Low | 100.8 Ų | 100.8 | 96.1 Ų | 96.1 | 71% | 0.705 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -86.6 | -3.2 | -179.5 | 48.6 | 0 | 0 | 0 | 0 | 114.8 | N2100 | N2100-S2168 PolarHBondContact ND2-O 3.48Š|
| 2169 | N | 57.7 | Low | 59.4 | Low | 80.6 Ų | 80.6 | 92.4 Ų | 92.4 | 43% | 0.431 | 47% | 0.465 | S | S | . | . | trans | -142.8 | 104.3 | 168.1 | -80.5 | -60.3 | 0 | 0 | 0 | 108.7 | K2167 S2171 N2182 R2271 | K2167-N2169 VanDerWaalsContact C-N 3.32Å; K2167-N2169 PolarHBondContact O-N 3.35Å; N2169-S2171 PolarHBondContact O-N 2.96Å; N2169-N2182 PolarHBondContact ND2-ND2 3.44Å; N2169-R2271 PolarHBondContact OD1-NH1 2.97Å; N2169-R2271 PolarHBondContact OD1-NH2 2.94Å; N2169-R2271 VanDerWaalsContact OD1-NH2 3.15Å | ||
| 2170 | L | 71.4 | Confident | 61.2 | Low | 25.2 Ų | 25.2 | 92.2 Ų | 92.2 | 13% | 0.132 | 46% | 0.46 | C | S | . | . | trans | -80.7 | 132.5 | 164.7 | -93.2 | 78.6 | 0 | 0 | 0 | 108.6 | R2096 K2167 Y2172 R2271 | R2096-L2170 HydrophobicContact CB-CD2 4.05Å; R2096-L2170 VanDerWaalsContact O-CD1 3.31Å; R2096-L2170 WeakPolarHBondContact O-CD1 3.45Å; R2096-L2170 WeakPolarHBondContact O-CD2 3.49Å; K2167-L2170 HydrophobicContact CB-CD1 4.1Å; K2167-L2170 HydrophobicContact CD-CD1 4.19Å; K2167-L2170 HydrophobicContact CD-CD2 4.33Å; K2167-L2170 HydrophobicContact CD-CG 3.97Å; K2167-L2170 HydrophobicContact CG-CD1 4.05Å; K2167-L2170 HydrophobicContact CG-CG 4.21Å; K2167-L2170 WeakPolarHBondContact O-CD1 3.47Å; L2170-Y2172 HydrophobicContact CD2-CE2 4.45Å; L2170-R2271 WeakPolarHBondContact O-CD 3.38Å; L2170-R2271 PolarHBondContact O-NE 2.8Å | ||
| 2171 | S | 79.1 | Confident | 62.6 | Low | 6.6 Ų | 6.6 | 92.6 Ų | 92.6 | 5% | 0.046 | 48% | 0.476 | C | S | . | . | trans | -139.2 | 160.1 | 168 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | N2169 E2173 E2183 N2188 N2191 | N2169-S2171 PolarHBondContact O-N 2.96Å; S2171-E2173 PolarHBondContact OG-N 3.22Å; S2171-E2183 WeakPolarHBondContact CB-OE1 3.35Å; S2171-E2183 WeakPolarHBondContact CB-OE2 3.45Å; S2171-E2183 VanDerWaalsContact OG-CD 3.24Å; S2171-E2183 PolarHBondContact OG-OE1 3.14Å; S2171-E2183 PolarHBondContact OG-OE2 2.99Å; S2171-N2188 WeakPolarHBondContact CB-OD1 3.36Å; S2171-N2188 PolarHBondContact O-OD1 2.86Å; S2171-N2188 VanDerWaalsContact O-OD1 3.11Å; S2171-N2188 PolarHBondContact OG-ND2 3.34Å; S2171-N2191 PolarHBondContact O-ND2 3.09Å; S2171-N2191 VanDerWaalsContact O-ND2 3.13Å | ||
| 2172 | Y | 83.4 | Confident | 64.1 | Low | 10 Ų | 10 | 92.4 Ų | 92.4 | 4% | 0.039 | 47% | 0.471 | C | S | . | . | trans | -128 | 10.5 | -178.9 | -58.5 | -81 | 0 | 0 | 0 | 111 | L2170 V2174 N2191 L2192 A2195 L2278 | L2170-Y2172 HydrophobicContact CD2-CE2 4.45Å; Y2172-V2174 PolarHBondContact O-N 3.04Å; Y2172-N2191 HydrophobicContact CD1-CB 4.02Å; Y2172-N2191 HydrophobicContact CE1-CB 3.95Å; Y2172-L2192 HydrophobicContact CD1-CB 4.45Å; Y2172-L2192 HydrophobicContact CD1-CD1 4.44Å; Y2172-A2195 HydrophobicContact CE1-CB 4.14Å; Y2172-L2278 VanDerWaalsContact O-CD1 3.25Å; Y2172-L2278 WeakPolarHBondContact O-CD1 3.22Å | ||
| 2173 | E | 86.4 | Confident | 66 | Low | 21 Ų | 21 | 86.3 Ų | 86.3 | 10% | 0.098 | 45% | 0.445 | C | S | . | . | trans | -77.4 | 129.6 | 179.6 | -171.7 | 54.6 | -103.6 | 0 | 0 | 110.8 | S2171 D2175 L2178 N2188 R2274 | S2171-E2173 PolarHBondContact OG-N 3.22Å; E2173-D2175 PolarHBondContact OE1-N 3.4Å; E2173-L2178 HydrophobicContact CG-CB 3.77Å; E2173-N2188 VanDerWaalsContact O-CB 3.23Å; E2173-N2188 WeakPolarHBondContact O-CB 3.3Å; E2173-N2188 PolarHBondContact O-ND2 2.98Å; E2173-R2274 VanDerWaalsContact CD-NH2 3.32Å; E2173-R2274 IonicContact OE1-CZ 3.42Å; E2173-R2274 IonicContact OE1-NE 2.93Å; E2173-R2274 PolarHBondContact OE1-NE 2.86Å; E2173-R2274 IonicContact OE1-NH2 3.35Å; E2173-R2274 PolarHBondContact OE1-NH2 3.09Å; E2173-R2274 WeakPolarHBondContact OE2-CG 3.49Å; E2173-R2274 IonicContact OE2-CZ 3.08Å; E2173-R2274 VanDerWaalsContact OE2-CZ 3.28Å; E2173-R2274 IonicContact OE2-NE 3.65Å; E2173-R2274 PolarHBondContact OE2-NE 3.04Å; E2173-R2274 IonicContact OE2-NH2 2.73Å; E2173-R2274 PolarHBondContact OE2-NH2 2.97Å; E2173-R2274 VanDerWaalsContact OE2-NH2 3.09Å | ||
| 2174 | V | 86.8 | Confident | 68.2 | Low | 0.4 Ų | 0.4 | 81.9 Ų | 81.9 | 0% | 0.002 | 43% | 0.43 | C | S | . | . | trans | -126.7 | -8.3 | -172.3 | -60.9 | 0 | 0 | 0 | 0 | 113 | Y2172 P2176 L2185 Q2189 L2192 L2278 H2297 M2298 F2301 | Y2172-V2174 PolarHBondContact O-N 3.04Å; V2174-P2176 VanDerWaalsContact O-CD 3.3Å; V2174-P2176 WeakPolarHBondContact O-CD 3.38Å; V2174-L2185 WeakPolarHBondContact O-CD1 3.45Å; V2174-Q2189 HydrophobicContact CB-CG 4.49Å; V2174-Q2189 HydrophobicContact CG1-CG 4.04Å; V2174-L2192 HydrophobicContact CG1-CD2 3.9Å; V2174-L2192 HydrophobicContact CG2-CD2 4.4Å; V2174-L2278 HydrophobicContact CG2-CD1 3.92Å; V2174-L2278 HydrophobicContact CG2-CD2 4.46Å; V2174-H2297 WeakPolarHBondContact O-CB 3.28Å; V2174-M2298 HydrophobicContact CG2-SD 3.8Å; V2174-F2301 HydrophobicContact CB-CE2 4.49Å; V2174-F2301 HydrophobicContact CB-CZ 4.48Å; V2174-F2301 HydrophobicContact CG1-CE2 4.45Å; V2174-F2301 HydrophobicContact CG1-CZ 4.06Å; V2174-F2301 HydrophobicContact CG2-CE2 4.39Å | ||
| 2175 | D | 85 | Confident | 70.6 | Confident | 23.6 Ų | 23.6 | 78 Ų | 78 | 13% | 0.126 | 41% | 0.408 | C | S | . | . | trans | -77.4 | 117.2 | 167.6 | -166.1 | -29.7 | 0 | 0 | 0 | 109.3 | E2173 R2177 L2178 L2179 H2297 | E2173-D2175 PolarHBondContact OE1-N 3.4Å; D2175-R2177 PolarHBondContact O-N 3.07Å; D2175-R2177 VanDerWaalsContact OD1-CB 3.3Å; D2175-R2177 WeakPolarHBondContact OD1-CB 3.39Å; D2175-R2177 WeakPolarHBondContact OD1-CD 3.3Å; D2175-R2177 VanDerWaalsContact OD1-CG 3.3Å; D2175-R2177 WeakPolarHBondContact OD1-CG 3.35Å; D2175-R2177 PolarHBondContact OD1-N 3.03Å; D2175-R2177 IonicContact OD1-NE 2.91Å; D2175-L2178 HydrophobicContact CB-CB 4.4Å; D2175-L2178 HydrophobicContact CB-CD1 4.21Å; D2175-L2178 HydrophobicContact CB-CG 4.28Å; D2175-L2178 PolarHBondContact O-N 3.16Å; D2175-L2179 PolarHBondContact O-N 3.15Å; D2175-H2297 VanDerWaalsContact CG-CE1 3.45Å; D2175-H2297 VanDerWaalsContact CG-ND1 3.3Å; D2175-H2297 IonicContact OD1-ND1 3.22Å; D2175-H2297 IonicContact OD2-CE1 3.45Å; D2175-H2297 PolarHBondContact OD2-CE1 3.02Å; D2175-H2297 IonicContact OD2-ND1 2.97Å; D2175-H2297 PolarHBondContact OD2-ND1 3.18Å; D2175-H2297 VanDerWaalsContact OD2-ND1 3.14Å | ||
| 2176 | P | 81.7 | Confident | 73 | Confident | 82.6 Ų | 82.6 | 75.7 Ų | 75.7 | 54% | 0.536 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -13.1 | 178.7 | -23.7 | 35.3 | 0 | 0 | 0 | 114.3 | V2174 L2185 | V2174-P2176 VanDerWaalsContact O-CD 3.3Å; V2174-P2176 WeakPolarHBondContact O-CD 3.38Å; P2176-L2185 HydrophobicContact CG-CD2 4.25Å |
| 2177 | R | 81.4 | Confident | 75.6 | Confident | 216 Ų | 216 | 71.2 Ų | 71.2 | 82% | 0.815 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -15.8 | 176.2 | -58.3 | 170 | -176 | 178.9 | -0.5 | 113.9 | D2175 | D2175-R2177 PolarHBondContact O-N 3.07Å; D2175-R2177 VanDerWaalsContact OD1-CB 3.3Å; D2175-R2177 WeakPolarHBondContact OD1-CB 3.39Å; D2175-R2177 WeakPolarHBondContact OD1-CD 3.3Å; D2175-R2177 VanDerWaalsContact OD1-CG 3.3Å; D2175-R2177 WeakPolarHBondContact OD1-CG 3.35Å; D2175-R2177 PolarHBondContact OD1-N 3.03Å; D2175-R2177 IonicContact OD1-NE 2.91Å |
| 2178 | L | 81 | Confident | 77.7 | Confident | 99.8 Ų | 99.8 | 67.4 Ų | 67.4 | 52% | 0.523 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -8.8 | -176.8 | -62 | 177.6 | 0 | 0 | 0 | 112.8 | E2173 D2175 | E2173-L2178 HydrophobicContact CG-CB 3.77Å; D2175-L2178 HydrophobicContact CB-CB 4.4Å; D2175-L2178 HydrophobicContact CB-CD1 4.21Å; D2175-L2178 HydrophobicContact CB-CG 4.28Å; D2175-L2178 PolarHBondContact O-N 3.16Å |
| 2179 | L | 79.5 | Confident | 79.7 | Confident | 48 Ų | 48 | 63.7 Ų | 63.7 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | trans | -63.5 | 130.7 | 178.7 | -163.3 | 71.7 | 0 | 0 | 0 | 110.9 | D2175 E2183 L2185 N2188 | D2175-L2179 PolarHBondContact O-N 3.15Å; L2179-E2183 HydrophobicContact CD1-CB 3.69Å; L2179-E2183 HydrophobicContact CG-CB 4.07Å; L2179-L2185 HydrophobicContact CD2-CB 3.98Å; L2179-N2188 VanDerWaalsContact CD1-ND2 3.31Å; L2179-N2188 WeakPolarHBondContact CD1-ND2 3.39Å | ||
| 2180 | Q | 74.4 | Confident | 81.2 | Confident | 110.4 Ų | 110.4 | 64.4 Ų | 64.4 | 52% | 0.516 | 33% | 0.332 | S | S | . | . | trans | -78.1 | 151.3 | 175.7 | -56.8 | -171.3 | 4.5 | 0 | 0 | 110.6 | N2182 E2183 | Q2180-N2182 WeakPolarHBondContact CB-OD1 3.43Å; Q2180-N2182 PolarHBondContact O-N 3.09Å; Q2180-E2183 HydrophobicContact CB-CG 4.2Å; Q2180-E2183 PolarHBondContact N-OE2 2.9Å; Q2180-E2183 PolarHBondContact O-N 3.15Å | ||
| 2181 | S | 66.4 | Low | 82 | Confident | 141.2 Ų | 141.2 | 64.2 Ų | 64.2 | 99% | 0.987 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -6.2 | -174.3 | -45.7 | 0 | 0 | 0 | 0 | 115.5 | ||
| 2182 | N | 72.5 | Confident | 82.5 | Confident | 99.8 Ų | 99.8 | 63.8 Ų | 63.8 | 53% | 0.534 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 2.5 | 178.4 | 62 | -46.2 | 0 | 0 | 0 | 113.4 | N2169 Q2180 | N2169-N2182 PolarHBondContact ND2-ND2 3.44Å; Q2180-N2182 WeakPolarHBondContact CB-OD1 3.43Å; Q2180-N2182 PolarHBondContact O-N 3.09Å |
| 2183 | E | 76.5 | Confident | 82.9 | Confident | 29.4 Ų | 29.4 | 65.5 Ų | 65.5 | 14% | 0.137 | 34% | 0.338 | C | S | . | . | trans | -105.4 | 139.3 | 179.8 | -66.5 | -176 | -175.7 | 0 | 0 | 111.3 | S2171 L2179 Q2180 N2188 | S2171-E2183 WeakPolarHBondContact CB-OE1 3.35Å; S2171-E2183 WeakPolarHBondContact CB-OE2 3.45Å; S2171-E2183 VanDerWaalsContact OG-CD 3.24Å; S2171-E2183 PolarHBondContact OG-OE1 3.14Å; S2171-E2183 PolarHBondContact OG-OE2 2.99Å; L2179-E2183 HydrophobicContact CD1-CB 3.69Å; L2179-E2183 HydrophobicContact CG-CB 4.07Å; Q2180-E2183 HydrophobicContact CB-CG 4.2Å; Q2180-E2183 PolarHBondContact N-OE2 2.9Å; Q2180-E2183 PolarHBondContact O-N 3.15Å; E2183-N2188 PolarHBondContact OE2-ND2 3.17Å | ||
| 2184 | N | 81.3 | Confident | 83 | Confident | 76.2 Ų | 76.2 | 69.2 Ų | 69.2 | 41% | 0.407 | 35% | 0.354 | S | S | . | . | trans | -96.7 | 125.5 | 174.8 | 178.4 | 10.8 | 0 | 0 | 0 | 110.1 | E2186 D2187 N2188 | N2184-E2186 VanDerWaalsContact C-N 3.33Å; N2184-E2186 PolarHBondContact O-N 3.1Å; N2184-E2186 PolarHBondContact OD1-N 3Å; N2184-E2186 VanDerWaalsContact OD1-N 3.12Å; N2184-D2187 HydrophobicContact CB-CB 4.04Å; N2184-D2187 WeakPolarHBondContact CB-OD2 3.38Å; N2184-D2187 PolarHBondContact ND2-OD2 3.03Å; N2184-D2187 PolarHBondContact O-N 3.06Å; N2184-N2188 VanDerWaalsContact O-CG 3.27Å; N2184-N2188 PolarHBondContact O-N 3.08Å; N2184-N2188 PolarHBondContact O-OD1 2.92Å | ||
| 2185 | L | 84.3 | Confident | 83.1 | Confident | 48.2 Ų | 48.2 | 69.2 Ų | 69.2 | 25% | 0.252 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.7 | -41.9 | -179.4 | -177.2 | 62.7 | 0 | 0 | 0 | 112.3 | V2174 P2176 L2179 N2188 Q2189 | V2174-L2185 WeakPolarHBondContact O-CD1 3.45Å; P2176-L2185 HydrophobicContact CG-CD2 4.25Å; L2179-L2185 HydrophobicContact CD2-CB 3.98Å; L2185-N2188 PolarHBondContact O-N 3.15Å; L2185-Q2189 HydrophobicContact CD1-CG 4.46Å; L2185-Q2189 WeakPolarHBondContact O-CB 3.43Å; L2185-Q2189 VanDerWaalsContact O-CG 3.22Å; L2185-Q2189 WeakPolarHBondContact O-CG 3.4Å; L2185-Q2189 PolarHBondContact O-N 3.13Å |
| 2186 | E | 84.3 | Confident | 83.4 | Confident | 130 Ų | 130 | 68.2 Ų | 68.2 | 61% | 0.607 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -69.5 | -37.7 | -178.4 | -79.8 | -179.8 | -173 | 0 | 0 | 111.4 | N2184 Q2189 N2190 | N2184-E2186 VanDerWaalsContact C-N 3.33Å; N2184-E2186 PolarHBondContact O-N 3.1Å; N2184-E2186 PolarHBondContact OD1-N 3Å; N2184-E2186 VanDerWaalsContact OD1-N 3.12Å; E2186-Q2189 PolarHBondContact O-N 3.34Å; E2186-N2190 WeakPolarHBondContact O-CB 3.31Å; E2186-N2190 PolarHBondContact O-N 3.31Å; E2186-N2190 PolarHBondContact O-ND2 3.16Å |
| 2187 | D | 84.8 | Confident | 83.8 | Confident | 60.8 Ų | 60.8 | 65.2 Ų | 65.2 | 33% | 0.325 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 173 | -80.8 | -57.3 | 0 | 0 | 0 | 111.5 | K2167 N2184 Q2189 N2190 N2191 | K2167-D2187 VanDerWaalsContact CE-CG 3.47Å; K2167-D2187 WeakPolarHBondContact CE-OD1 3.25Å; K2167-D2187 IonicContact NZ-OD1 3.31Å; K2167-D2187 PolarHBondContact NZ-OD1 3Å; N2184-D2187 HydrophobicContact CB-CB 4.04Å; N2184-D2187 WeakPolarHBondContact CB-OD2 3.38Å; N2184-D2187 PolarHBondContact ND2-OD2 3.03Å; N2184-D2187 PolarHBondContact O-N 3.06Å; D2187-Q2189 VanDerWaalsContact C-N 3.34Å; D2187-Q2189 PolarHBondContact O-N 3.01Å; D2187-N2190 PolarHBondContact O-N 3.14Å; D2187-N2191 WeakPolarHBondContact O-CB 3.4Å; D2187-N2191 PolarHBondContact O-N 3.29Å; D2187-N2191 PolarHBondContact O-ND2 3.18Å; D2187-N2191 VanDerWaalsContact O-ND2 3.12Å; D2187-N2191 PolarHBondContact O-OD1 3.21Å; D2187-N2191 VanDerWaalsContact O-OD1 3.12Å |
| 2188 | N | 87.6 | Confident | 84.2 | Confident | 4.6 Ų | 4.6 | 57.7 Ų | 57.7 | 3% | 0.025 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 178.2 | -72.4 | 2.4 | 0 | 0 | 0 | 112 | S2171 E2173 L2179 E2183 N2184 L2185 N2191 L2192 | S2171-N2188 WeakPolarHBondContact CB-OD1 3.36Å; S2171-N2188 PolarHBondContact O-OD1 2.86Å; S2171-N2188 VanDerWaalsContact O-OD1 3.11Å; S2171-N2188 PolarHBondContact OG-ND2 3.34Å; E2173-N2188 VanDerWaalsContact O-CB 3.23Å; E2173-N2188 WeakPolarHBondContact O-CB 3.3Å; E2173-N2188 PolarHBondContact O-ND2 2.98Å; L2179-N2188 VanDerWaalsContact CD1-ND2 3.31Å; L2179-N2188 WeakPolarHBondContact CD1-ND2 3.39Å; E2183-N2188 PolarHBondContact OE2-ND2 3.17Å; N2184-N2188 VanDerWaalsContact O-CG 3.27Å; N2184-N2188 PolarHBondContact O-N 3.08Å; N2184-N2188 PolarHBondContact O-OD1 2.92Å; L2185-N2188 PolarHBondContact O-N 3.15Å; N2188-N2191 WeakPolarHBondContact O-CB 3.38Å; N2188-N2191 PolarHBondContact O-N 3.3Å; N2188-L2192 WeakPolarHBondContact O-CB 3.41Å; N2188-L2192 PolarHBondContact O-N 3.09Å |
| 2189 | Q | 88.5 | Confident | 84.7 | Confident | 24.2 Ų | 24.2 | 52.9 Ų | 52.9 | 11% | 0.113 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 174.3 | -73.2 | 167.5 | -6.4 | 0 | 0 | 111.7 | V2174 L2185 E2186 D2187 N2191 L2192 I2193 I2300 F2301 | V2174-Q2189 HydrophobicContact CB-CG 4.49Å; V2174-Q2189 HydrophobicContact CG1-CG 4.04Å; L2185-Q2189 HydrophobicContact CD1-CG 4.46Å; L2185-Q2189 WeakPolarHBondContact O-CB 3.43Å; L2185-Q2189 VanDerWaalsContact O-CG 3.22Å; L2185-Q2189 WeakPolarHBondContact O-CG 3.4Å; L2185-Q2189 PolarHBondContact O-N 3.13Å; E2186-Q2189 PolarHBondContact O-N 3.34Å; D2187-Q2189 VanDerWaalsContact C-N 3.34Å; D2187-Q2189 PolarHBondContact O-N 3.01Å; Q2189-N2191 PolarHBondContact O-N 3.42Å; Q2189-L2192 PolarHBondContact O-N 3.21Å; Q2189-I2193 VanDerWaalsContact O-CG1 3.32Å; Q2189-I2193 WeakPolarHBondContact O-CG1 3.37Å; Q2189-I2193 PolarHBondContact O-N 3Å; Q2189-I2300 HydrophobicContact CG-CG2 4.4Å; Q2189-F2301 HydrophobicContact CB-CE1 4.13Å; Q2189-F2301 HydrophobicContact CB-CZ 4.2Å; Q2189-F2301 HydrophobicContact CG-CE1 4.3Å; Q2189-F2301 HydrophobicContact CG-CZ 3.93Å |
| 2190 | N | 89.1 | Confident | 85.3 | Confident | 94 Ų | 94 | 50.8 Ų | 50.8 | 50% | 0.503 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 176.6 | -77.3 | -54.4 | 0 | 0 | 0 | 112.3 | E2186 D2187 L2192 I2193 F2194 | E2186-N2190 WeakPolarHBondContact O-CB 3.31Å; E2186-N2190 PolarHBondContact O-N 3.31Å; E2186-N2190 PolarHBondContact O-ND2 3.16Å; D2187-N2190 PolarHBondContact O-N 3.14Å; N2190-L2192 VanDerWaalsContact C-N 3.32Å; N2190-L2192 PolarHBondContact O-N 2.92Å; N2190-I2193 PolarHBondContact O-N 3.13Å; N2190-F2194 WeakPolarHBondContact O-CB 3.37Å; N2190-F2194 PolarHBondContact O-N 3.04Å |
| 2191 | N | 87.8 | Confident | 86.1 | Confident | 20.4 Ų | 20.4 | 51 Ų | 51 | 11% | 0.109 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 173.3 | -62.9 | -22.6 | 0 | 0 | 0 | 111.2 | K2167 S2171 Y2172 D2187 N2188 Q2189 F2194 A2195 | K2167-N2191 WeakPolarHBondContact CE-OD1 3.5Å; K2167-N2191 PolarHBondContact NZ-OD1 3.05Å; S2171-N2191 PolarHBondContact O-ND2 3.09Å; S2171-N2191 VanDerWaalsContact O-ND2 3.13Å; Y2172-N2191 HydrophobicContact CD1-CB 4.02Å; Y2172-N2191 HydrophobicContact CE1-CB 3.95Å; D2187-N2191 WeakPolarHBondContact O-CB 3.4Å; D2187-N2191 PolarHBondContact O-N 3.29Å; D2187-N2191 PolarHBondContact O-ND2 3.18Å; D2187-N2191 VanDerWaalsContact O-ND2 3.12Å; D2187-N2191 PolarHBondContact O-OD1 3.21Å; D2187-N2191 VanDerWaalsContact O-OD1 3.12Å; N2188-N2191 WeakPolarHBondContact O-CB 3.38Å; N2188-N2191 PolarHBondContact O-N 3.3Å; Q2189-N2191 PolarHBondContact O-N 3.42Å; N2191-F2194 PolarHBondContact O-N 3.24Å; N2191-A2195 WeakPolarHBondContact O-CB 3.41Å; N2191-A2195 PolarHBondContact O-N 3.02Å |
| 2192 | L | 90.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70 | -39.2 | -179.7 | -173.8 | 65.2 | 0 | 0 | 0 | 112.6 | Y2172 V2174 N2188 Q2189 N2190 A2195 T2196 L2278 I2279 M2282 F2301 | Y2172-L2192 HydrophobicContact CD1-CB 4.45Å; Y2172-L2192 HydrophobicContact CD1-CD1 4.44Å; V2174-L2192 HydrophobicContact CG1-CD2 3.9Å; V2174-L2192 HydrophobicContact CG2-CD2 4.4Å; N2188-L2192 WeakPolarHBondContact O-CB 3.41Å; N2188-L2192 PolarHBondContact O-N 3.09Å; Q2189-L2192 PolarHBondContact O-N 3.21Å; N2190-L2192 VanDerWaalsContact C-N 3.32Å; N2190-L2192 PolarHBondContact O-N 2.92Å; L2192-A2195 PolarHBondContact O-N 3.19Å; L2192-T2196 WeakPolarHBondContact O-CB 3.37Å; L2192-T2196 PolarHBondContact O-N 3.24Å; L2192-T2196 PolarHBondContact O-OG1 2.97Å; L2192-L2278 HydrophobicContact CD1-CB 3.95Å; L2192-L2278 HydrophobicContact CD2-CB 3.99Å; L2192-L2278 HydrophobicContact CD2-CD1 4.16Å; L2192-I2279 HydrophobicContact CD1-CD1 4.43Å; L2192-I2279 HydrophobicContact CD1-CG1 3.75Å; L2192-M2282 HydrophobicContact CD2-SD 4.04Å; L2192-M2282 HydrophobicContact CG-SD 4.13Å; L2192-F2301 HydrophobicContact CD2-CE1 4.42Å; L2192-F2301 HydrophobicContact CD2-CE2 3.96Å; L2192-F2301 HydrophobicContact CD2-CZ 3.77Å |
| 2193 | I | 90.3 | Very high | 88.1 | Confident | 44 Ų | 44 | 44.2 Ų | 44.2 | 23% | 0.226 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.9 | -48 | 173.1 | -69.7 | 164.7 | 0 | 0 | 0 | 110.1 | Q2189 N2190 A2195 T2196 E2197 F2301 V2304 | Q2189-I2193 VanDerWaalsContact O-CG1 3.32Å; Q2189-I2193 WeakPolarHBondContact O-CG1 3.37Å; Q2189-I2193 PolarHBondContact O-N 3Å; N2190-I2193 PolarHBondContact O-N 3.13Å; I2193-A2195 PolarHBondContact O-N 3.19Å; I2193-T2196 PolarHBondContact O-N 3.19Å; I2193-E2197 HydrophobicContact CG2-CG 4.36Å; I2193-E2197 WeakPolarHBondContact O-CB 3.38Å; I2193-E2197 WeakPolarHBondContact O-CG 3.4Å; I2193-E2197 PolarHBondContact O-N 3.18Å; I2193-F2301 HydrophobicContact CD1-CD1 3.93Å; I2193-F2301 HydrophobicContact CD1-CE1 3.9Å; I2193-F2301 HydrophobicContact CG1-CD1 3.65Å; I2193-F2301 HydrophobicContact CG1-CE1 3.68Å; I2193-V2304 HydrophobicContact CD1-CG2 4.37Å; I2193-V2304 HydrophobicContact CG1-CG2 4.38Å; I2193-V2304 HydrophobicContact CG2-CG2 4.47Å |
| 2194 | F | 89.1 | Confident | 88.9 | Confident | 99.2 Ų | 99.2 | 44.6 Ų | 44.6 | 44% | 0.435 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.6 | -47.8 | 177.6 | 176.1 | -93.1 | 0 | 0 | 0 | 111.9 | R2096 N2190 N2191 T2196 E2197 L2198 | R2096-F2194 VanDerWaalsContact NH2-CZ 3.31Å; N2190-F2194 WeakPolarHBondContact O-CB 3.37Å; N2190-F2194 PolarHBondContact O-N 3.04Å; N2191-F2194 PolarHBondContact O-N 3.24Å; F2194-T2196 VanDerWaalsContact C-N 3.35Å; F2194-T2196 PolarHBondContact O-N 3.33Å; F2194-E2197 PolarHBondContact O-N 3.18Å; F2194-L2198 HydrophobicContact CE1-CD2 4.22Å; F2194-L2198 HydrophobicContact CZ-CD2 4.48Å; F2194-L2198 VanDerWaalsContact O-CB 3.29Å; F2194-L2198 WeakPolarHBondContact O-CB 3.34Å; F2194-L2198 PolarHBondContact O-N 3.11Å |
| 2195 | A | 88.8 | Confident | 89.2 | Confident | 0.4 Ų | 0.4 | 49.4 Ų | 49.4 | 0% | 0.003 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.2 | -40.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L2093 Y2172 N2191 L2192 I2193 L2199 I2279 | L2093-A2195 HydrophobicContact CD1-CB 4.39Å; L2093-A2195 HydrophobicContact CD2-CB 3.64Å; Y2172-A2195 HydrophobicContact CE1-CB 4.14Å; N2191-A2195 WeakPolarHBondContact O-CB 3.41Å; N2191-A2195 PolarHBondContact O-N 3.02Å; L2192-A2195 PolarHBondContact O-N 3.19Å; I2193-A2195 PolarHBondContact O-N 3.19Å; A2195-L2199 WeakPolarHBondContact O-CB 3.36Å; A2195-L2199 PolarHBondContact O-N 3.17Å; A2195-L2199 VanDerWaalsContact O-N 3.15Å; A2195-I2279 HydrophobicContact CB-CD1 3.74Å |
| 2196 | T | 90.9 | Very high | 89.6 | Confident | 2.8 Ų | 2.8 | 47.6 Ų | 47.6 | 2% | 0.017 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.7 | -47.4 | 176.7 | -52.6 | 0 | 0 | 0 | 0 | 111.6 | L2192 I2193 F2194 L2198 L2199 Y2200 I2279 M2282 | L2192-T2196 WeakPolarHBondContact O-CB 3.37Å; L2192-T2196 PolarHBondContact O-N 3.24Å; L2192-T2196 PolarHBondContact O-OG1 2.97Å; I2193-T2196 PolarHBondContact O-N 3.19Å; F2194-T2196 VanDerWaalsContact C-N 3.35Å; F2194-T2196 PolarHBondContact O-N 3.33Å; T2196-L2198 VanDerWaalsContact C-N 3.34Å; T2196-L2198 PolarHBondContact O-N 3.06Å; T2196-L2199 PolarHBondContact O-N 3.19Å; T2196-Y2200 WeakPolarHBondContact O-CB 3.26Å; T2196-Y2200 PolarHBondContact O-N 3.23Å; T2196-I2279 HydrophobicContact CG2-CG2 4.47Å; T2196-M2282 HydrophobicContact CG2-CB 4.31Å; T2196-M2282 HydrophobicContact CG2-CE 4.12Å |
| 2197 | E | 91.5 | Very high | 89.7 | Confident | 20 Ų | 20 | 42.4 Ų | 42.4 | 9% | 0.093 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61 | -40.5 | 177.7 | -81.9 | -92.2 | 171.7 | 0 | 0 | 111.8 | I2193 F2194 K2201 K2307 H2308 | I2193-E2197 HydrophobicContact CG2-CG 4.36Å; I2193-E2197 WeakPolarHBondContact O-CB 3.38Å; I2193-E2197 WeakPolarHBondContact O-CG 3.4Å; I2193-E2197 PolarHBondContact O-N 3.18Å; F2194-E2197 PolarHBondContact O-N 3.18Å; E2197-K2201 VanDerWaalsContact O-CB 3.25Å; E2197-K2201 WeakPolarHBondContact O-CB 3.43Å; E2197-K2201 WeakPolarHBondContact O-CD 3.25Å; E2197-K2201 VanDerWaalsContact O-CG 3.26Å; E2197-K2201 WeakPolarHBondContact O-CG 3.33Å; E2197-K2201 PolarHBondContact O-N 2.94Å; E2197-K2201 WeakPolarHBondContact OE2-CE 3.42Å; E2197-K2201 IonicContact OE2-NZ 2.98Å; E2197-K2201 PolarHBondContact OE2-NZ 3Å; E2197-K2307 IonicContact OE1-NZ 3.43Å; E2197-K2307 PolarHBondContact OE1-NZ 3.21Å; E2197-K2307 IonicContact OE2-NZ 3.27Å; E2197-H2308 IonicContact OE1-CD2 3.62Å; E2197-H2308 IonicContact OE1-CE1 3.21Å; E2197-H2308 PolarHBondContact OE1-CE1 2.93Å; E2197-H2308 VanDerWaalsContact OE1-CE1 3.29Å; E2197-H2308 IonicContact OE1-NE2 3.16Å; E2197-H2308 PolarHBondContact OE1-NE2 2.97Å; E2197-H2308 IonicContact OE2-CE1 3.6Å; E2197-H2308 IonicContact OE2-NE2 3.54Å |
| 2198 | L | 89.6 | Confident | 89.8 | Confident | 57.4 Ų | 57.4 | 46 Ų | 46 | 30% | 0.301 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.1 | -48.9 | 177.7 | -177.8 | 65.2 | 0 | 0 | 0 | 111.8 | V2089 L2093 F2194 T2196 K2202 | V2089-L2198 HydrophobicContact CG1-CD2 3.91Å; V2089-L2198 HydrophobicContact CG1-CG 3.85Å; L2093-L2198 HydrophobicContact CD2-CD2 4.49Å; F2194-L2198 HydrophobicContact CE1-CD2 4.22Å; F2194-L2198 HydrophobicContact CZ-CD2 4.48Å; F2194-L2198 VanDerWaalsContact O-CB 3.29Å; F2194-L2198 WeakPolarHBondContact O-CB 3.34Å; F2194-L2198 PolarHBondContact O-N 3.11Å; T2196-L2198 VanDerWaalsContact C-N 3.34Å; T2196-L2198 PolarHBondContact O-N 3.06Å; L2198-K2202 WeakPolarHBondContact O-CB 3.36Å; L2198-K2202 PolarHBondContact O-N 2.89Å |
| 2199 | L | 90.9 | Very high | 89.8 | Confident | 0.4 Ų | 0.4 | 48.8 Ų | 48.8 | 0% | 0.002 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70 | -43.8 | -178.7 | -164 | 97.7 | 0 | 0 | 0 | 111.6 | L2086 V2089 L2090 L2093 A2195 T2196 K2202 L2203 V2255 I2279 M2283 | L2086-L2199 HydrophobicContact CD2-CD1 3.92Å; L2086-L2199 HydrophobicContact CD2-CD2 3.85Å; L2086-L2199 HydrophobicContact CD2-CG 4.25Å; V2089-L2199 HydrophobicContact CB-CD1 3.84Å; V2089-L2199 HydrophobicContact CG1-CB 4.18Å; V2089-L2199 HydrophobicContact CG1-CD1 3.86Å; V2089-L2199 HydrophobicContact CG1-CG 4.24Å; V2089-L2199 HydrophobicContact CG2-CD1 4.43Å; L2090-L2199 HydrophobicContact CD2-CD1 4.13Å; L2093-L2199 HydrophobicContact CD1-CD1 4.41Å; A2195-L2199 WeakPolarHBondContact O-CB 3.36Å; A2195-L2199 PolarHBondContact O-N 3.17Å; A2195-L2199 VanDerWaalsContact O-N 3.15Å; T2196-L2199 PolarHBondContact O-N 3.19Å; L2199-K2202 PolarHBondContact O-N 3.35Å; L2199-L2203 PolarHBondContact O-N 2.93Å; L2199-L2203 VanDerWaalsContact O-N 3.11Å; L2199-V2255 HydrophobicContact CD1-CG1 4.31Å; L2199-V2255 HydrophobicContact CD1-CG2 4.39Å; L2199-V2255 HydrophobicContact CD2-CB 4.48Å; L2199-V2255 HydrophobicContact CD2-CG1 3.72Å; L2199-V2255 HydrophobicContact CD2-CG2 3.9Å; L2199-I2279 HydrophobicContact CD2-CG2 3.73Å; L2199-M2283 HydrophobicContact CD2-CE 3.71Å; L2199-M2283 HydrophobicContact CD2-SD 3.65Å; L2199-M2283 WeakPolarHBondContact CD2-SD 3.4Å; L2199-M2283 HydrophobicContact CG-SD 4.44Å |
| 2200 | Y | 92.3 | Very high | 89.8 | Confident | 3.2 Ų | 3.2 | 47.9 Ų | 47.9 | 1% | 0.013 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65 | -45.8 | 178.6 | -175.6 | -99.5 | 0 | 0 | 0 | 112.3 | T2196 K2202 L2203 I2204 I2286 H2308 S2311 C2312 | T2196-Y2200 WeakPolarHBondContact O-CB 3.26Å; T2196-Y2200 PolarHBondContact O-N 3.23Å; Y2200-K2202 VanDerWaalsContact C-N 3.3Å; Y2200-K2202 PolarHBondContact O-N 3.25Å; Y2200-L2203 WeakPolarHBondContact O-CB 3.26Å; Y2200-L2203 PolarHBondContact O-N 3.03Å; Y2200-L2203 VanDerWaalsContact O-N 3.15Å; Y2200-I2204 HydrophobicContact CD1-CG1 4.04Å; Y2200-I2204 HydrophobicContact CD2-CG1 4.36Å; Y2200-I2204 HydrophobicContact CE1-CD1 4.23Å; Y2200-I2204 HydrophobicContact CE1-CG1 3.57Å; Y2200-I2204 HydrophobicContact CE2-CD1 3.91Å; Y2200-I2204 HydrophobicContact CE2-CG1 3.93Å; Y2200-I2204 HydrophobicContact CG-CG1 4.4Å; Y2200-I2204 VanDerWaalsContact CZ-CG1 3.45Å; Y2200-I2204 WeakPolarHBondContact O-CG1 3.35Å; Y2200-I2204 PolarHBondContact O-N 2.94Å; Y2200-I2204 WeakPolarHBondContact OH-CD1 3.37Å; Y2200-I2286 HydrophobicContact CD2-CD1 4.31Å; Y2200-I2286 HydrophobicContact CE2-CD1 4.33Å; Y2200-I2286 HydrophobicContact CE2-CG2 3.95Å; Y2200-H2308 HydrophobicContact CD1-CB 4.38Å; Y2200-H2308 AromaticContact CD1-CE1 3.88Å; Y2200-H2308 AromaticContact CD1-CG 3.84Å; Y2200-H2308 AromaticContact CD1-ND1 3.6Å; Y2200-H2308 HydrophobicContact CE1-CB 3.67Å; Y2200-H2308 AromaticContact CE1-CE1 3.95Å; Y2200-H2308 AromaticContact CE1-CG 3.48Å; Y2200-H2308 VanDerWaalsContact CE1-CG 3.44Å; Y2200-H2308 AromaticContact CE1-ND1 3.24Å; Y2200-H2308 VanDerWaalsContact CE1-ND1 3.27Å; Y2200-H2308 WeakPolarHBondContact CE1-ND1 3.27Å; Y2200-H2308 HydrophobicContact CE2-CB 4.43Å; Y2200-H2308 PolarHBondContact OH-O 3.16Å; Y2200-H2308 VanDerWaalsContact OH-O 3.07Å; Y2200-S2311 WeakPolarHBondContact CE1-OG 3.29Å; Y2200-S2311 WeakPolarHBondContact OH-CB 3.27Å; Y2200-S2311 PolarHBondContact OH-OG 3.14Å; Y2200-C2312 WeakPolarHBondContact OH-CA 3.23Å; Y2200-C2312 WeakPolarHBondContact OH-CB 3.39Å; Y2200-C2312 PolarHBondContact OH-N 3.08Å; Y2200-C2312 VanDerWaalsContact OH-N 3.16Å |
| 2201 | K | 91.2 | Very high | 89.8 | Confident | 114 Ų | 114 | 44.8 Ų | 44.8 | 50% | 0.496 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.9 | -36.1 | 176.7 | -78.8 | 167.9 | 166.8 | 154.4 | 0 | 112.7 | E2197 K2205 | E2197-K2201 VanDerWaalsContact O-CB 3.25Å; E2197-K2201 WeakPolarHBondContact O-CB 3.43Å; E2197-K2201 WeakPolarHBondContact O-CD 3.25Å; E2197-K2201 VanDerWaalsContact O-CG 3.26Å; E2197-K2201 WeakPolarHBondContact O-CG 3.33Å; E2197-K2201 PolarHBondContact O-N 2.94Å; E2197-K2201 WeakPolarHBondContact OE2-CE 3.42Å; E2197-K2201 IonicContact OE2-NZ 2.98Å; E2197-K2201 PolarHBondContact OE2-NZ 3Å; K2201-K2205 WeakPolarHBondContact O-CB 3.35Å; K2201-K2205 WeakPolarHBondContact O-CG 3.26Å; K2201-K2205 PolarHBondContact O-N 3.09Å |
| 2202 | K | 90.1 | Very high | 89.8 | Confident | 97.4 Ų | 97.4 | 47.4 Ų | 47.4 | 42% | 0.423 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.7 | -39.7 | 176.1 | -175.8 | 63.6 | 174.8 | 179.9 | 0 | 111.5 | V2085 V2089 L2198 L2199 Y2200 S2206 | V2085-K2202 HydrophobicContact CG1-CG 4.24Å; V2085-K2202 VanDerWaalsContact O-CG 3.28Å; V2085-K2202 WeakPolarHBondContact O-CG 3.38Å; V2089-K2202 HydrophobicContact CG2-CB 3.97Å; V2089-K2202 HydrophobicContact CG2-CG 3.78Å; L2198-K2202 WeakPolarHBondContact O-CB 3.36Å; L2198-K2202 PolarHBondContact O-N 2.89Å; L2199-K2202 PolarHBondContact O-N 3.35Å; Y2200-K2202 VanDerWaalsContact C-N 3.3Å; Y2200-K2202 PolarHBondContact O-N 3.25Å; K2202-S2206 PolarHBondContact O-N 3.39Å |
| 2203 | L | 92 | Very high | 89.6 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.6 | -50 | 176.3 | -178.2 | 81.1 | 0 | 0 | 0 | 112.3 | V2085 L2086 L2199 Y2200 K2205 S2206 F2247 I2251 M2283 F2315 | V2085-L2203 HydrophobicContact CG1-CB 4.45Å; V2085-L2203 HydrophobicContact CG1-CD1 4.41Å; L2086-L2203 HydrophobicContact CD2-CD1 4.43Å; L2199-L2203 PolarHBondContact O-N 2.93Å; L2199-L2203 VanDerWaalsContact O-N 3.11Å; Y2200-L2203 WeakPolarHBondContact O-CB 3.26Å; Y2200-L2203 PolarHBondContact O-N 3.03Å; Y2200-L2203 VanDerWaalsContact O-N 3.15Å; L2203-K2205 VanDerWaalsContact C-N 3.25Å; L2203-K2205 PolarHBondContact O-N 3.18Å; L2203-S2206 WeakPolarHBondContact O-CB 3.35Å; L2203-S2206 PolarHBondContact O-N 2.89Å; L2203-S2206 VanDerWaalsContact O-N 3.12Å; L2203-S2206 PolarHBondContact O-OG 2.95Å; L2203-F2247 HydrophobicContact CD2-CE1 4.09Å; L2203-F2247 HydrophobicContact CD2-CE2 4.35Å; L2203-F2247 HydrophobicContact CD2-CZ 3.63Å; L2203-F2247 VanDerWaalsContact CD2-CZ 3.49Å; L2203-I2251 HydrophobicContact CD1-CD1 4.06Å; L2203-I2251 HydrophobicContact CD1-CG1 4.1Å; L2203-I2251 HydrophobicContact CD1-CG2 3.7Å; L2203-I2251 HydrophobicContact CD2-CD1 4.08Å; L2203-I2251 HydrophobicContact CD2-CG2 4.28Å; L2203-M2283 HydrophobicContact CD2-CE 3.88Å; L2203-F2315 HydrophobicContact CD1-CZ 4.45Å; L2203-F2315 HydrophobicContact CD2-CE1 4.15Å; L2203-F2315 HydrophobicContact CD2-CZ 4.16Å; L2203-F2315 HydrophobicContact CG-CZ 4.45Å; L2203-F2315 VanDerWaalsContact O-CE2 3.27Å; L2203-F2315 WeakPolarHBondContact O-CE2 3.34Å |
| 2204 | I | 91.5 | Very high | 89.7 | Confident | 38.2 Ų | 38.2 | 48.7 Ų | 48.7 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.1 | -30.6 | -178.8 | -61.7 | -63.6 | 0 | 0 | 0 | 111.9 | Y2200 S2206 V2207 F2315 | Y2200-I2204 HydrophobicContact CD1-CG1 4.04Å; Y2200-I2204 HydrophobicContact CD2-CG1 4.36Å; Y2200-I2204 HydrophobicContact CE1-CD1 4.23Å; Y2200-I2204 HydrophobicContact CE1-CG1 3.57Å; Y2200-I2204 HydrophobicContact CE2-CD1 3.91Å; Y2200-I2204 HydrophobicContact CE2-CG1 3.93Å; Y2200-I2204 HydrophobicContact CG-CG1 4.4Å; Y2200-I2204 VanDerWaalsContact CZ-CG1 3.45Å; Y2200-I2204 WeakPolarHBondContact O-CG1 3.35Å; Y2200-I2204 PolarHBondContact O-N 2.94Å; Y2200-I2204 WeakPolarHBondContact OH-CD1 3.37Å; I2204-S2206 VanDerWaalsContact C-N 3.31Å; I2204-S2206 PolarHBondContact O-N 2.94Å; I2204-V2207 WeakPolarHBondContact O-CG2 3.28Å; I2204-F2315 HydrophobicContact CB-CD2 4.49Å; I2204-F2315 HydrophobicContact CD1-CB 3.63Å; I2204-F2315 HydrophobicContact CD1-CD1 4.3Å; I2204-F2315 HydrophobicContact CD1-CD2 3.98Å; I2204-F2315 HydrophobicContact CD1-CG 3.73Å; I2204-F2315 HydrophobicContact CG2-CB 4.47Å; I2204-F2315 HydrophobicContact CG2-CD2 4.47Å; I2204-F2315 WeakPolarHBondContact O-CD2 3.26Å |
| 2205 | K | 89.5 | Confident | 89.8 | Confident | 176.4 Ų | 176.4 | 44.7 Ų | 44.7 | 77% | 0.767 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -0.4 | 174 | -73.9 | -173.9 | 175.3 | -169.2 | 0 | 115 | K2201 L2203 V2207 | K2201-K2205 WeakPolarHBondContact O-CB 3.35Å; K2201-K2205 WeakPolarHBondContact O-CG 3.26Å; K2201-K2205 PolarHBondContact O-N 3.09Å; L2203-K2205 VanDerWaalsContact C-N 3.25Å; L2203-K2205 PolarHBondContact O-N 3.18Å; K2205-V2207 PolarHBondContact O-N 3.17Å |
| 2206 | S | 90.7 | Very high | 89.7 | Confident | 10.2 Ų | 10.2 | 45.7 Ų | 45.7 | 7% | 0.071 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 18.8 | -173.8 | 68 | 0 | 0 | 0 | 0 | 115.2 | Y2081 K2202 L2203 I2204 D2208 S2209 F2210 | Y2081-S2206 PolarHBondContact OH-OG 3.11Å; Y2081-S2206 VanDerWaalsContact OH-OG 3.06Å; K2202-S2206 PolarHBondContact O-N 3.39Å; L2203-S2206 WeakPolarHBondContact O-CB 3.35Å; L2203-S2206 PolarHBondContact O-N 2.89Å; L2203-S2206 VanDerWaalsContact O-N 3.12Å; L2203-S2206 PolarHBondContact O-OG 2.95Å; I2204-S2206 VanDerWaalsContact C-N 3.31Å; I2204-S2206 PolarHBondContact O-N 2.94Å; S2206-D2208 VanDerWaalsContact C-N 3.33Å; S2206-D2208 PolarHBondContact O-N 3.28Å; S2206-S2209 WeakPolarHBondContact CB-OG 3.11Å; S2206-S2209 WeakPolarHBondContact O-CB 3.23Å; S2206-S2209 PolarHBondContact O-N 2.97Å; S2206-S2209 VanDerWaalsContact O-N 3.11Å; S2206-S2209 PolarHBondContact O-OG 3.34Å; S2206-F2210 PolarHBondContact O-N 3.15Å |
| 2207 | V | 88.3 | Confident | 89.7 | Confident | 22 Ų | 22 | 45.7 Ų | 45.7 | 13% | 0.133 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -52.9 | -47.2 | -179.8 | 162.2 | 0 | 0 | 0 | 0 | 112.4 | I2204 K2205 S2209 F2210 R2215 F2315 A2318 I2319 | I2204-V2207 WeakPolarHBondContact O-CG2 3.28Å; K2205-V2207 PolarHBondContact O-N 3.17Å; V2207-S2209 VanDerWaalsContact C-N 3.27Å; V2207-S2209 PolarHBondContact O-N 3.19Å; V2207-F2210 VanDerWaalsContact O-CB 3.27Å; V2207-F2210 WeakPolarHBondContact O-CB 3.33Å; V2207-F2210 PolarHBondContact O-N 2.99Å; V2207-F2210 VanDerWaalsContact O-N 3.07Å; V2207-R2215 PolarHBondContact O-NH2 2.94Å; V2207-F2315 HydrophobicContact CB-CD2 4.05Å; V2207-F2315 HydrophobicContact CB-CE2 4.19Å; V2207-F2315 HydrophobicContact CG2-CD2 3.48Å; V2207-F2315 VanDerWaalsContact CG2-CD2 3.41Å; V2207-F2315 HydrophobicContact CG2-CE2 3.7Å; V2207-F2315 HydrophobicContact CG2-CG 4.38Å; V2207-A2318 HydrophobicContact CG1-CB 3.91Å; V2207-A2318 HydrophobicContact CG2-CB 4.05Å; V2207-I2319 HydrophobicContact CG1-CG1 4.41Å; V2207-I2319 HydrophobicContact CG2-CD1 4.38Å; V2207-I2319 HydrophobicContact CG2-CG1 3.58Å |
| 2208 | D | 85.7 | Confident | 89.7 | Confident | 135.6 Ų | 135.6 | 44.8 Ų | 44.8 | 73% | 0.725 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -65.3 | -28.6 | -176.2 | -47.6 | -23.3 | 0 | 0 | 0 | 112.5 | S2206 F2210 | S2206-D2208 VanDerWaalsContact C-N 3.33Å; S2206-D2208 PolarHBondContact O-N 3.28Å; D2208-F2210 VanDerWaalsContact C-N 3.33Å |
| 2209 | S | 87.5 | Confident | 89.6 | Confident | 64.2 Ų | 64.2 | 44.8 Ų | 44.8 | 45% | 0.449 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -85.1 | -4.8 | 178.1 | 105.8 | 0 | 0 | 0 | 0 | 113.5 | Y2081 S2206 V2207 P2211 | Y2081-S2209 VanDerWaalsContact CD2-O 3.3Å; Y2081-S2209 WeakPolarHBondContact CD2-O 3.34Å; S2206-S2209 WeakPolarHBondContact CB-OG 3.11Å; S2206-S2209 WeakPolarHBondContact O-CB 3.23Å; S2206-S2209 PolarHBondContact O-N 2.97Å; S2206-S2209 VanDerWaalsContact O-N 3.11Å; S2206-S2209 PolarHBondContact O-OG 3.34Å; V2207-S2209 VanDerWaalsContact C-N 3.27Å; V2207-S2209 PolarHBondContact O-N 3.19Å; S2209-P2211 WeakPolarHBondContact O-CD 3.36Å |
| 2210 | F | 88.5 | Confident | 89.5 | Confident | 5.8 Ų | 5.8 | 44.9 Ų | 44.9 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -69.5 | 122.6 | -175.4 | -163.9 | -89 | 0 | 0 | 0 | 111.6 | Y2081 S2206 V2207 D2208 S2212 L2214 R2215 F2250 I2319 | Y2081-F2210 AromaticContact CE1-CD2 3.97Å; Y2081-F2210 HydrophobicContact CE1-CD2 4.01Å; Y2081-F2210 HydrophobicContact CE1-CE2 4.23Å; Y2081-F2210 HydrophobicContact CE2-CB 4.32Å; Y2081-F2210 AromaticContact CE2-CD2 4Å; Y2081-F2210 HydrophobicContact CE2-CD2 4.03Å; Y2081-F2210 AromaticContact CZ-CD2 3.67Å; S2206-F2210 PolarHBondContact O-N 3.15Å; V2207-F2210 VanDerWaalsContact O-CB 3.27Å; V2207-F2210 WeakPolarHBondContact O-CB 3.33Å; V2207-F2210 PolarHBondContact O-N 2.99Å; V2207-F2210 VanDerWaalsContact O-N 3.07Å; D2208-F2210 VanDerWaalsContact C-N 3.33Å; F2210-S2212 PolarHBondContact O-N 3.18Å; F2210-L2214 HydrophobicContact CD1-CB 4.25Å; F2210-L2214 HydrophobicContact CE1-CB 3.49Å; F2210-L2214 VanDerWaalsContact CE1-CB 3.48Å; F2210-L2214 HydrophobicContact CZ-CB 4.01Å; F2210-L2214 HydrophobicContact CZ-CD1 4.43Å; F2210-R2215 HydrophobicContact CD1-CB 4.19Å; F2210-R2215 HydrophobicContact CD1-CG 3.72Å; F2210-R2215 HydrophobicContact CE1-CG 4.41Å; F2210-R2215 PolarHBondContact O-NE 3.27Å; F2210-R2215 VanDerWaalsContact O-NE 3.13Å; F2210-F2250 HydrophobicContact CE2-CE1 4.14Å; F2210-F2250 HydrophobicContact CZ-CE1 4.42Å; F2210-I2319 HydrophobicContact CB-CG1 4.48Å; F2210-I2319 HydrophobicContact CD1-CD1 4.35Å; F2210-I2319 HydrophobicContact CD1-CG1 4.43Å; F2210-I2319 HydrophobicContact CD1-CG2 4.17Å; F2210-I2319 HydrophobicContact CD2-CD1 3.95Å; F2210-I2319 HydrophobicContact CE1-CD1 4.4Å; F2210-I2319 HydrophobicContact CE1-CG2 4.1Å; F2210-I2319 HydrophobicContact CE2-CD1 4.13Å; F2210-I2319 HydrophobicContact CG-CD1 4.06Å; F2210-I2319 HydrophobicContact CG-CG1 4.35Å; F2210-I2319 HydrophobicContact CZ-CD1 4.37Å |
| 2211 | P | 90 | Very high | 89.2 | Confident | 28 Ų | 28 | 44.9 Ų | 44.9 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | trans | -57.1 | 133.3 | -169.4 | -28.2 | 34.8 | 0 | 0 | 0 | 114.9 | F2077 Y2081 S2209 R2213 L2214 R2215 | F2077-P2211 VanDerWaalsContact O-CG 3.29Å; F2077-P2211 WeakPolarHBondContact O-CG 3.25Å; Y2081-P2211 HydrophobicContact CG-CG 4.33Å; S2209-P2211 WeakPolarHBondContact O-CD 3.36Å; P2211-R2213 VanDerWaalsContact C-N 3.29Å; P2211-R2213 PolarHBondContact O-N 3.08Å; P2211-L2214 HydrophobicContact CB-CB 4.4Å; P2211-L2214 HydrophobicContact CB-CD1 4.3Å; P2211-L2214 HydrophobicContact CB-CG 4.27Å; P2211-L2214 HydrophobicContact CG-CD1 4.16Å; P2211-L2214 CarbonylContact O-C 3.51Å; P2211-L2214 WeakPolarHBondContact O-CA 3.34Å; P2211-L2214 WeakPolarHBondContact O-CB 3.43Å; P2211-L2214 PolarHBondContact O-N 3.16Å; P2211-R2215 WeakPolarHBondContact O-CG 3.46Å; P2211-R2215 PolarHBondContact O-N 3.05Å | ||
| 2212 | S | 86.7 | Confident | 89 | Confident | 75 Ų | 75 | 41.5 Ų | 41.5 | 52% | 0.524 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -55.9 | -39.4 | -176.9 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | F2210 L2214 R2215 C2216 | F2210-S2212 PolarHBondContact O-N 3.18Å; S2212-L2214 VanDerWaalsContact C-N 3.32Å; S2212-L2214 PolarHBondContact O-N 3Å; S2212-R2215 WeakPolarHBondContact O-CB 3.44Å; S2212-R2215 PolarHBondContact O-N 3.11Å; S2212-R2215 VanDerWaalsContact O-N 3.17Å; S2212-C2216 PolarHBondContact O-N 2.83Å |
| 2213 | R | 86.9 | Confident | 88.8 | Confident | 71.8 Ų | 71.8 | 41.7 Ų | 41.7 | 27% | 0.271 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62 | -39.5 | 175 | -68.3 | 162.8 | 173.3 | 163.5 | -7.4 | 112.3 | D2033 L2038 F2077 P2211 C2216 M2217 M2404 | D2033-R2213 VanDerWaalsContact CG-NE 3.28Å; D2033-R2213 VanDerWaalsContact CG-NH2 3.33Å; D2033-R2213 IonicContact OD1-CZ 3.37Å; D2033-R2213 VanDerWaalsContact OD1-CZ 3.28Å; D2033-R2213 IonicContact OD1-NE 3.16Å; D2033-R2213 PolarHBondContact OD1-NE 3.08Å; D2033-R2213 IonicContact OD1-NH1 3.28Å; D2033-R2213 PolarHBondContact OD1-NH1 2.93Å; D2033-R2213 IonicContact OD1-NH2 2.93Å; D2033-R2213 PolarHBondContact OD1-NH2 3.15Å; D2033-R2213 IonicContact OD2-CZ 3.03Å; D2033-R2213 VanDerWaalsContact OD2-CZ 3.27Å; D2033-R2213 IonicContact OD2-NE 2.74Å; D2033-R2213 PolarHBondContact OD2-NE 2.89Å; D2033-R2213 IonicContact OD2-NH1 3.27Å; D2033-R2213 PolarHBondContact OD2-NH1 3Å; D2033-R2213 IonicContact OD2-NH2 3.32Å; D2033-R2213 PolarHBondContact OD2-NH2 2.9Å; L2038-R2213 HydrophobicContact CD1-CG 4.44Å; F2077-R2213 HydrophobicContact CB-CB 4.36Å; F2077-R2213 HydrophobicContact CD1-CB 4.48Å; F2077-R2213 VanDerWaalsContact CD1-CD 3.44Å; F2077-R2213 HydrophobicContact CD2-CB 3.82Å; F2077-R2213 VanDerWaalsContact CE1-CD 3.45Å; F2077-R2213 HydrophobicContact CE2-CB 4.2Å; F2077-R2213 HydrophobicContact CG-CB 4.05Å; P2211-R2213 VanDerWaalsContact C-N 3.29Å; P2211-R2213 PolarHBondContact O-N 3.08Å; R2213-C2216 WeakPolarHBondContact O-CB 3.39Å; R2213-C2216 PolarHBondContact O-N 3.4Å; R2213-M2217 PolarHBondContact O-N 3.03Å; R2213-M2217 VanDerWaalsContact O-N 3.13Å; R2213-M2404 PolarHBondContact NH1-O 3.08Å; R2213-M2404 PolarHBondContact NH2-O 3.02Å |
| 2214 | L | 91.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -73.4 | -34.8 | 174.6 | -63.5 | -178.8 | 0 | 0 | 0 | 111.6 | C2073 F2074 F2077 F2210 P2211 S2212 C2216 M2217 C2218 F2250 | C2073-L2214 HydrophobicContact CB-CD2 4.27Å; F2074-L2214 HydrophobicContact CD1-CD1 4.43Å; F2074-L2214 HydrophobicContact CD1-CD2 3.97Å; F2074-L2214 HydrophobicContact CE1-CD2 4.44Å; F2077-L2214 HydrophobicContact CB-CD1 4.48Å; F2077-L2214 HydrophobicContact CB-CD2 4.26Å; F2077-L2214 HydrophobicContact CB-CG 4.09Å; F2077-L2214 HydrophobicContact CD2-CD2 4.4Å; F2210-L2214 HydrophobicContact CD1-CB 4.25Å; F2210-L2214 HydrophobicContact CE1-CB 3.49Å; F2210-L2214 VanDerWaalsContact CE1-CB 3.48Å; F2210-L2214 HydrophobicContact CZ-CB 4.01Å; F2210-L2214 HydrophobicContact CZ-CD1 4.43Å; P2211-L2214 HydrophobicContact CB-CB 4.4Å; P2211-L2214 HydrophobicContact CB-CD1 4.3Å; P2211-L2214 HydrophobicContact CB-CG 4.27Å; P2211-L2214 HydrophobicContact CG-CD1 4.16Å; P2211-L2214 CarbonylContact O-C 3.51Å; P2211-L2214 WeakPolarHBondContact O-CA 3.34Å; P2211-L2214 WeakPolarHBondContact O-CB 3.43Å; P2211-L2214 PolarHBondContact O-N 3.16Å; S2212-L2214 VanDerWaalsContact C-N 3.32Å; S2212-L2214 PolarHBondContact O-N 3Å; L2214-C2216 VanDerWaalsContact C-N 3.31Å; L2214-C2216 PolarHBondContact O-N 3Å; L2214-M2217 HydrophobicContact CD2-CE 3.98Å; L2214-M2217 WeakPolarHBondContact O-CB 3.27Å; L2214-M2217 PolarHBondContact O-N 3.15Å; L2214-M2217 VanDerWaalsContact O-N 3.14Å; L2214-C2218 WeakPolarHBondContact O-CB 3.47Å; L2214-C2218 PolarHBondContact O-N 3.21Å; L2214-C2218 PolarHBondContact O-SG 3.25Å; L2214-C2218 VanDerWaalsContact O-SG 3.32Å; L2214-F2250 HydrophobicContact CD1-CE1 3.94Å; L2214-F2250 HydrophobicContact CD1-CE2 4.48Å; L2214-F2250 HydrophobicContact CD1-CZ 3.84Å |
| 2215 | R | 90.8 | Very high | 87.8 | Confident | 14.2 Ų | 14.2 | 41.1 Ų | 41.1 | 5% | 0.054 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.7 | -44.3 | 170.8 | -77.1 | -174.2 | -168.9 | -156.6 | -4.2 | 111.3 | V2207 F2210 P2211 S2212 M2217 C2218 R2219 I2319 E2322 | V2207-R2215 PolarHBondContact O-NH2 2.94Å; F2210-R2215 HydrophobicContact CD1-CB 4.19Å; F2210-R2215 HydrophobicContact CD1-CG 3.72Å; F2210-R2215 HydrophobicContact CE1-CG 4.41Å; F2210-R2215 PolarHBondContact O-NE 3.27Å; F2210-R2215 VanDerWaalsContact O-NE 3.13Å; P2211-R2215 WeakPolarHBondContact O-CG 3.46Å; P2211-R2215 PolarHBondContact O-N 3.05Å; S2212-R2215 WeakPolarHBondContact O-CB 3.44Å; S2212-R2215 PolarHBondContact O-N 3.11Å; S2212-R2215 VanDerWaalsContact O-N 3.17Å; R2215-M2217 PolarHBondContact O-N 3.06Å; R2215-C2218 PolarHBondContact O-N 3.23Å; R2215-R2219 VanDerWaalsContact O-CB 3.29Å; R2215-R2219 WeakPolarHBondContact O-CB 3.4Å; R2215-R2219 PolarHBondContact O-N 3.11Å; R2215-I2319 VanDerWaalsContact CD-O 3.31Å; R2215-I2319 WeakPolarHBondContact CD-O 3.47Å; R2215-I2319 HydrophobicContact CG-CG2 4.29Å; R2215-I2319 WeakPolarHBondContact CG-O 3.48Å; R2215-E2322 IonicContact CZ-OE2 2.9Å; R2215-E2322 VanDerWaalsContact CZ-OE2 3.27Å; R2215-E2322 VanDerWaalsContact NH1-CB 3.35Å; R2215-E2322 PolarHBondContact NH1-O 2.86Å; R2215-E2322 IonicContact NH1-OE2 3.48Å; R2215-E2322 PolarHBondContact NH1-OE2 3.28Å; R2215-E2322 IonicContact NH2-OE2 3.09Å; R2215-E2322 PolarHBondContact NH2-OE2 3.19Å |
| 2216 | C | 88.7 | Confident | 87.2 | Confident | 23 Ų | 23 | 34.7 Ų | 34.7 | 16% | 0.155 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.1 | -48 | 173 | 171 | 0 | 0 | 0 | 0 | 111.9 | C2039 S2212 R2213 L2214 C2218 R2219 C2220 | C2039-C2216 WeakPolarHBondContact CA-SG 3.4Å; C2039-C2216 WeakPolarHBondContact CB-SG 3.42Å; C2039-C2216 WeakPolarHBondContact SG-CB 3.47Å; C2039-C2216 CovalentContact SG-SG 2.04Å; C2039-C2216 PolarHBondContact SG-SG 3.31Å; S2212-C2216 PolarHBondContact O-N 2.83Å; R2213-C2216 WeakPolarHBondContact O-CB 3.39Å; R2213-C2216 PolarHBondContact O-N 3.4Å; L2214-C2216 VanDerWaalsContact C-N 3.31Å; L2214-C2216 PolarHBondContact O-N 3Å; C2216-C2218 VanDerWaalsContact C-N 3.35Å; C2216-C2218 PolarHBondContact O-N 2.83Å; C2216-R2219 PolarHBondContact O-N 2.93Å; C2216-R2219 VanDerWaalsContact O-N 3.14Å; C2216-C2220 PolarHBondContact O-N 3.18Å; C2216-C2220 PolarHBondContact O-SG 3.12Å |
| 2217 | M | 90.4 | Very high | 86.4 | Confident | 1.6 Ų | 1.6 | 39.6 Ų | 39.6 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.1 | -46.1 | 178.2 | -166.5 | 177.3 | 72 | 0 | 0 | 112 | F2042 F2046 M2070 C2073 F2074 R2213 L2214 R2215 R2219 C2220 L2221 | F2042-M2217 HydrophobicContact CD1-CG 4.42Å; F2042-M2217 HydrophobicContact CD2-CB 4.01Å; F2042-M2217 HydrophobicContact CD2-CG 4.11Å; F2042-M2217 HydrophobicContact CE1-CG 4.28Å; F2042-M2217 HydrophobicContact CE1-SD 4.26Å; F2042-M2217 HydrophobicContact CE2-CB 3.64Å; F2042-M2217 HydrophobicContact CE2-CG 3.93Å; F2042-M2217 HydrophobicContact CE2-SD 4.45Å; F2042-M2217 HydrophobicContact CG-CG 4.38Å; F2042-M2217 HydrophobicContact CZ-CB 4.12Å; F2042-M2217 HydrophobicContact CZ-CG 4.07Å; F2042-M2217 HydrophobicContact CZ-SD 4.18Å; F2046-M2217 HydrophobicContact CE2-CG 3.83Å; F2046-M2217 HydrophobicContact CZ-CG 3.88Å; F2046-M2217 HydrophobicContact CZ-SD 4.32Å; M2070-M2217 HydrophobicContact CB-CE 4.44Å; M2070-M2217 HydrophobicContact CB-SD 4.37Å; M2070-M2217 HydrophobicContact CG-CE 4.27Å; M2070-M2217 HydrophobicContact CG-SD 3.96Å; C2073-M2217 HydrophobicContact CB-CE 4.37Å; C2073-M2217 HydrophobicContact CB-SD 3.73Å; C2073-M2217 VanDerWaalsContact CB-SD 3.59Å; F2074-M2217 HydrophobicContact CD1-CE 3.86Å; F2074-M2217 HydrophobicContact CD2-CE 4.44Å; F2074-M2217 HydrophobicContact CE1-CE 3.33Å; F2074-M2217 HydrophobicContact CE2-CE 4.09Å; F2074-M2217 HydrophobicContact CG-CE 4.43Å; F2074-M2217 HydrophobicContact CZ-CE 3.46Å; F2074-M2217 VanDerWaalsContact CZ-CE 3.46Å; R2213-M2217 PolarHBondContact O-N 3.03Å; R2213-M2217 VanDerWaalsContact O-N 3.13Å; L2214-M2217 HydrophobicContact CD2-CE 3.98Å; L2214-M2217 WeakPolarHBondContact O-CB 3.27Å; L2214-M2217 PolarHBondContact O-N 3.15Å; L2214-M2217 VanDerWaalsContact O-N 3.14Å; R2215-M2217 PolarHBondContact O-N 3.06Å; M2217-R2219 VanDerWaalsContact C-N 3.3Å; M2217-R2219 PolarHBondContact O-N 3.32Å; M2217-C2220 PolarHBondContact O-N 3.1Å; M2217-L2221 HydrophobicContact CG-CD1 4.42Å; M2217-L2221 WeakPolarHBondContact O-CB 3.43Å; M2217-L2221 WeakPolarHBondContact O-CG 3.43Å; M2217-L2221 PolarHBondContact O-N 3.06Å |
| 2218 | C | 90.3 | Very high | 85.3 | Confident | 0.8 Ų | 0.8 | 42 Ų | 42 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.6 | -38.7 | 176.4 | -66.4 | 0 | 0 | 0 | 0 | 112.2 | L2214 R2215 C2216 L2221 Y2222 L2242 I2319 | L2214-C2218 WeakPolarHBondContact O-CB 3.47Å; L2214-C2218 PolarHBondContact O-N 3.21Å; L2214-C2218 PolarHBondContact O-SG 3.25Å; L2214-C2218 VanDerWaalsContact O-SG 3.32Å; R2215-C2218 PolarHBondContact O-N 3.23Å; C2216-C2218 VanDerWaalsContact C-N 3.35Å; C2216-C2218 PolarHBondContact O-N 2.83Å; C2218-L2221 PolarHBondContact O-N 2.85Å; C2218-Y2222 VanDerWaalsContact O-CB 3.29Å; C2218-Y2222 WeakPolarHBondContact O-CB 3.41Å; C2218-Y2222 PolarHBondContact O-N 3.16Å; C2218-L2242 HydrophobicContact CB-CD1 4.09Å; C2218-L2242 HydrophobicContact CB-CD2 4.23Å; C2218-I2319 HydrophobicContact CB-CG2 4.12Å |
| 2219 | R | 89 | Confident | 83.9 | Confident | 57.4 Ų | 57.4 | 36 Ų | 36 | 22% | 0.217 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.6 | -41 | 177.2 | -175.6 | 177.7 | -69.1 | 147.9 | 4.2 | 112.6 | R2215 C2216 M2217 L2221 Y2222 K2223 V2320 E2322 | R2215-R2219 VanDerWaalsContact O-CB 3.29Å; R2215-R2219 WeakPolarHBondContact O-CB 3.4Å; R2215-R2219 PolarHBondContact O-N 3.11Å; C2216-R2219 PolarHBondContact O-N 2.93Å; C2216-R2219 VanDerWaalsContact O-N 3.14Å; M2217-R2219 VanDerWaalsContact C-N 3.3Å; M2217-R2219 PolarHBondContact O-N 3.32Å; R2219-L2221 VanDerWaalsContact C-N 3.32Å; R2219-Y2222 PolarHBondContact O-N 2.93Å; R2219-K2223 WeakPolarHBondContact O-CB 3.12Å; R2219-K2223 WeakPolarHBondContact O-CG 3.4Å; R2219-K2223 PolarHBondContact O-N 3.08Å; R2219-K2223 VanDerWaalsContact O-N 3.1Å; R2219-V2320 HydrophobicContact CG-CG1 4.35Å; R2219-V2320 VanDerWaalsContact CZ-O 3.26Å; R2219-V2320 PolarHBondContact NE-O 3.15Å; R2219-V2320 PolarHBondContact NH2-O 2.94Å; R2219-E2322 PolarHBondContact NH2-O 2.92Å |
| 2220 | C | 87.6 | Confident | 82.2 | Confident | 3.4 Ų | 3.4 | 41.4 Ų | 41.4 | 2% | 0.023 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.1 | -47.7 | 172.7 | -147.8 | 0 | 0 | 0 | 0 | 110.7 | F2042 C2043 C2216 M2217 Y2222 K2223 L2224 | F2042-C2220 HydrophobicContact CB-CB 4.29Å; C2043-C2220 WeakPolarHBondContact CA-SG 3.36Å; C2043-C2220 WeakPolarHBondContact CB-SG 3.24Å; C2043-C2220 PolarHBondContact N-SG 3.1Å; C2043-C2220 VanDerWaalsContact N-SG 3.4Å; C2043-C2220 WeakPolarHBondContact SG-CB 3.21Å; C2043-C2220 CovalentContact SG-SG 2.06Å; C2043-C2220 PolarHBondContact SG-SG 3.33Å; C2216-C2220 PolarHBondContact O-N 3.18Å; C2216-C2220 PolarHBondContact O-SG 3.12Å; M2217-C2220 PolarHBondContact O-N 3.1Å; C2220-Y2222 PolarHBondContact O-N 3.2Å; C2220-K2223 PolarHBondContact O-N 3.06Å; C2220-L2224 WeakPolarHBondContact O-CB 3.4Å; C2220-L2224 WeakPolarHBondContact O-CD1 3.46Å; C2220-L2224 WeakPolarHBondContact O-CG 3.35Å; C2220-L2224 PolarHBondContact O-N 3.18Å; C2220-L2224 VanDerWaalsContact O-N 3.09Å |
| 2221 | L | 86.8 | Confident | 80.5 | Confident | 2.6 Ų | 2.6 | 47.9 Ų | 47.9 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.1 | -48.5 | 177.1 | -108.2 | 133.5 | 0 | 0 | 0 | 111.9 | F2046 L2060 M2070 M2217 C2218 R2219 K2223 L2224 I2225 L2242 | F2046-L2221 HydrophobicContact CB-CD2 4.45Å; F2046-L2221 HydrophobicContact CD2-CB 4.27Å; F2046-L2221 HydrophobicContact CD2-CD1 3.85Å; F2046-L2221 VanDerWaalsContact CD2-CD1 3.41Å; F2046-L2221 HydrophobicContact CD2-CD2 3.4Å; F2046-L2221 VanDerWaalsContact CD2-CD2 3.42Å; F2046-L2221 HydrophobicContact CD2-CG 3.73Å; F2046-L2221 HydrophobicContact CE2-CB 4.32Å; F2046-L2221 HydrophobicContact CE2-CD1 4.09Å; F2046-L2221 HydrophobicContact CE2-CD2 3.77Å; F2046-L2221 HydrophobicContact CE2-CG 3.72Å; F2046-L2221 HydrophobicContact CG-CD1 4.1Å; F2046-L2221 HydrophobicContact CG-CD2 4.08Å; L2060-L2221 HydrophobicContact CD1-CD1 3.65Å; L2060-L2221 HydrophobicContact CD1-CD2 3.8Å; L2060-L2221 HydrophobicContact CD1-CG 4.24Å; L2060-L2221 HydrophobicContact CD2-CD2 4.46Å; M2070-L2221 HydrophobicContact SD-CD1 4.11Å; M2217-L2221 HydrophobicContact CG-CD1 4.42Å; M2217-L2221 WeakPolarHBondContact O-CB 3.43Å; M2217-L2221 WeakPolarHBondContact O-CG 3.43Å; M2217-L2221 PolarHBondContact O-N 3.06Å; C2218-L2221 PolarHBondContact O-N 2.85Å; R2219-L2221 VanDerWaalsContact C-N 3.32Å; L2221-K2223 PolarHBondContact O-N 3.26Å; L2221-L2224 PolarHBondContact O-N 3.12Å; L2221-I2225 HydrophobicContact CB-CD1 4.39Å; L2221-I2225 HydrophobicContact CD1-CD1 3.7Å; L2221-I2225 HydrophobicContact CD1-CG1 4Å; L2221-I2225 HydrophobicContact CD2-CD1 4.23Å; L2221-I2225 HydrophobicContact CG-CD1 3.77Å; L2221-I2225 HydrophobicContact CG-CG1 4.38Å; L2221-I2225 VanDerWaalsContact O-CB 3.29Å; L2221-I2225 WeakPolarHBondContact O-CB 3.35Å; L2221-I2225 WeakPolarHBondContact O-CD1 3.33Å; L2221-I2225 VanDerWaalsContact O-CG1 3.24Å; L2221-I2225 WeakPolarHBondContact O-CG1 3.32Å; L2221-I2225 PolarHBondContact O-N 3.28Å; L2221-L2242 HydrophobicContact CB-CD1 4.18Å; L2221-L2242 HydrophobicContact CD1-CD1 4.26Å; L2221-L2242 HydrophobicContact CD2-CD1 3.83Å; L2221-L2242 HydrophobicContact CG-CD1 4.4Å |
| 2222 | Y | 87.3 | Confident | 78.4 | Confident | 43.2 Ų | 43.2 | 53.9 Ų | 53.9 | 17% | 0.169 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.9 | -48.4 | 177.4 | 175.8 | -97.7 | 0 | 0 | 0 | 112.4 | C2218 R2219 C2220 L2224 I2225 G2226 N2235 A2238 L2239 V2320 | C2218-Y2222 VanDerWaalsContact O-CB 3.29Å; C2218-Y2222 WeakPolarHBondContact O-CB 3.41Å; C2218-Y2222 PolarHBondContact O-N 3.16Å; R2219-Y2222 PolarHBondContact O-N 2.93Å; C2220-Y2222 PolarHBondContact O-N 3.2Å; Y2222-L2224 VanDerWaalsContact C-N 3.33Å; Y2222-L2224 PolarHBondContact O-N 2.85Å; Y2222-I2225 PolarHBondContact O-N 2.99Å; Y2222-G2226 PolarHBondContact O-N 3.25Å; Y2222-N2235 WeakPolarHBondContact OH-CB 3.36Å; Y2222-N2235 VanDerWaalsContact OH-CG 3.29Å; Y2222-N2235 PolarHBondContact OH-OD1 2.99Å; Y2222-A2238 HydrophobicContact CD2-CB 3.85Å; Y2222-A2238 HydrophobicContact CE2-CB 3.73Å; Y2222-L2239 HydrophobicContact CD2-CD2 3.87Å; Y2222-L2239 HydrophobicContact CD2-CG 4.4Å; Y2222-L2239 HydrophobicContact CE2-CD2 3.71Å; Y2222-L2239 HydrophobicContact CE2-CG 3.88Å; Y2222-V2320 HydrophobicContact CD1-CG1 3.52Å; Y2222-V2320 VanDerWaalsContact CD1-CG1 3.49Å; Y2222-V2320 HydrophobicContact CD2-CG1 4.44Å; Y2222-V2320 HydrophobicContact CD2-CG2 4.49Å; Y2222-V2320 HydrophobicContact CE1-CG1 4.04Å; Y2222-V2320 HydrophobicContact CG-CG1 3.79Å; Y2222-V2320 HydrophobicContact CG-CG2 4.22Å |
| 2223 | K | 84.9 | Confident | 76.8 | Confident | 102.2 Ų | 102.2 | 54.8 Ų | 54.8 | 44% | 0.444 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 178.7 | -78 | -169.7 | 175.2 | -166.4 | 0 | 112.2 | R2219 C2220 L2221 G2226 H2227 P2332 F2335 | R2219-K2223 WeakPolarHBondContact O-CB 3.12Å; R2219-K2223 WeakPolarHBondContact O-CG 3.4Å; R2219-K2223 PolarHBondContact O-N 3.08Å; R2219-K2223 VanDerWaalsContact O-N 3.1Å; C2220-K2223 PolarHBondContact O-N 3.06Å; L2221-K2223 PolarHBondContact O-N 3.26Å; K2223-G2226 PolarHBondContact O-N 2.78Å; K2223-H2227 WeakPolarHBondContact O-CB 3.32Å; K2223-H2227 PolarHBondContact O-CD2 3.09Å; K2223-H2227 VanDerWaalsContact O-CD2 3.28Å; K2223-H2227 PolarHBondContact O-N 3.17Å; K2223-H2227 VanDerWaalsContact O-N 3.07Å; K2223-P2332 PolarHBondContact NZ-O 3.31Å; K2223-F2335 HydrophobicContact CD-CD1 4.39Å; K2223-F2335 HydrophobicContact CD-CE1 3.45Å; K2223-F2335 HydrophobicContact CD-CZ 3.87Å; K2223-F2335 VanDerWaalsContact NZ-CD1 3.35Å |
| 2224 | L | 82.3 | Confident | 75.5 | Confident | 20.2 Ų | 20.2 | 54.4 Ų | 54.4 | 11% | 0.106 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.8 | -42.6 | -179.3 | -69.4 | 172 | 0 | 0 | 0 | 112.6 | C2043 F2046 S2047 L2050 C2220 L2221 Y2222 G2226 H2227 L2228 | C2043-L2224 HydrophobicContact CB-CD1 4.4Å; F2046-L2224 HydrophobicContact CB-CD1 3.51Å; F2046-L2224 VanDerWaalsContact CB-CD1 3.49Å; F2046-L2224 HydrophobicContact CD2-CD1 4.44Å; F2046-L2224 HydrophobicContact CG-CD1 4.47Å; S2047-L2224 VanDerWaalsContact OG-CD2 3.23Å; S2047-L2224 WeakPolarHBondContact OG-CD2 2.99Å; L2050-L2224 HydrophobicContact CD1-CB 3.66Å; L2050-L2224 HydrophobicContact CD1-CD1 4.41Å; C2220-L2224 WeakPolarHBondContact O-CB 3.4Å; C2220-L2224 WeakPolarHBondContact O-CD1 3.46Å; C2220-L2224 WeakPolarHBondContact O-CG 3.35Å; C2220-L2224 PolarHBondContact O-N 3.18Å; C2220-L2224 VanDerWaalsContact O-N 3.09Å; L2221-L2224 PolarHBondContact O-N 3.12Å; Y2222-L2224 VanDerWaalsContact C-N 3.33Å; Y2222-L2224 PolarHBondContact O-N 2.85Å; L2224-G2226 VanDerWaalsContact C-N 3.31Å; L2224-G2226 PolarHBondContact O-N 3Å; L2224-H2227 PolarHBondContact O-N 3.31Å; L2224-L2228 WeakPolarHBondContact O-CB 3.36Å; L2224-L2228 PolarHBondContact O-N 3.1Å |
| 2225 | I | 81.4 | Confident | 74.4 | Confident | 5.6 Ų | 5.6 | 59.7 Ų | 59.7 | 3% | 0.029 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 175.2 | -67.5 | 164.7 | 0 | 0 | 0 | 110 | L2050 M2056 L2221 Y2222 H2227 G2229 A2238 V2241 | L2050-I2225 HydrophobicContact CD1-CG1 4.24Å; L2050-I2225 HydrophobicContact CD2-CG1 4.28Å; M2056-I2225 HydrophobicContact CE-CG2 4.05Å; M2056-I2225 HydrophobicContact SD-CG2 4.05Å; L2221-I2225 HydrophobicContact CB-CD1 4.39Å; L2221-I2225 HydrophobicContact CD1-CD1 3.7Å; L2221-I2225 HydrophobicContact CD1-CG1 4Å; L2221-I2225 HydrophobicContact CD2-CD1 4.23Å; L2221-I2225 HydrophobicContact CG-CD1 3.77Å; L2221-I2225 HydrophobicContact CG-CG1 4.38Å; L2221-I2225 VanDerWaalsContact O-CB 3.29Å; L2221-I2225 WeakPolarHBondContact O-CB 3.35Å; L2221-I2225 WeakPolarHBondContact O-CD1 3.33Å; L2221-I2225 VanDerWaalsContact O-CG1 3.24Å; L2221-I2225 WeakPolarHBondContact O-CG1 3.32Å; L2221-I2225 PolarHBondContact O-N 3.28Å; Y2222-I2225 PolarHBondContact O-N 2.99Å; I2225-H2227 VanDerWaalsContact C-N 3.3Å; I2225-H2227 PolarHBondContact O-N 3.25Å; I2225-G2229 VanDerWaalsContact O-CA 3.25Å; I2225-G2229 WeakPolarHBondContact O-CA 3.32Å; I2225-G2229 PolarHBondContact O-N 3.03Å; I2225-A2238 HydrophobicContact CB-CB 4.44Å; I2225-A2238 HydrophobicContact CG2-CB 3.86Å; I2225-V2241 HydrophobicContact CD1-CB 4.36Å; I2225-V2241 HydrophobicContact CD1-CG1 3.84Å; I2225-V2241 HydrophobicContact CG2-CB 4.39Å; I2225-V2241 HydrophobicContact CG2-CG1 4.46Å |
| 2226 | G | 76.8 | Confident | 73.7 | Confident | 41.2 Ų | 41.2 | 62.6 Ų | 62.6 | 43% | 0.425 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.9 | -25.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y2222 K2223 L2224 | Y2222-G2226 PolarHBondContact O-N 3.25Å; K2223-G2226 PolarHBondContact O-N 2.78Å; L2224-G2226 VanDerWaalsContact C-N 3.31Å; L2224-G2226 PolarHBondContact O-N 3Å |
| 2227 | H | 72.9 | Confident | 73.2 | Confident | 113.6 Ų | 113.6 | 65.8 Ų | 65.8 | 53% | 0.526 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -87.2 | -39.3 | 178.7 | -150.4 | 27.1 | 0 | 0 | 0 | 113.1 | K2223 L2224 I2225 | K2223-H2227 WeakPolarHBondContact O-CB 3.32Å; K2223-H2227 PolarHBondContact O-CD2 3.09Å; K2223-H2227 VanDerWaalsContact O-CD2 3.28Å; K2223-H2227 PolarHBondContact O-N 3.17Å; K2223-H2227 VanDerWaalsContact O-N 3.07Å; L2224-H2227 PolarHBondContact O-N 3.31Å; I2225-H2227 VanDerWaalsContact C-N 3.3Å; I2225-H2227 PolarHBondContact O-N 3.25Å |
| 2228 | L | 64.9 | Low | 72.8 | Confident | 72.4 Ų | 72.4 | 66.1 Ų | 66.1 | 38% | 0.379 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -84.8 | -26 | 178.8 | -68.7 | 164.7 | 0 | 0 | 0 | 112.4 | L2050 E2051 M2056 L2224 Y2230 | L2050-L2228 HydrophobicContact CB-CD1 3.43Å; L2050-L2228 VanDerWaalsContact CB-CD1 3.44Å; L2050-L2228 HydrophobicContact CD1-CD1 4.24Å; L2050-L2228 HydrophobicContact CG-CD1 4.44Å; E2051-L2228 HydrophobicContact CG-CD1 4.49Å; E2051-L2228 HydrophobicContact CG-CD2 4.41Å; M2056-L2228 HydrophobicContact CE-CB 4.34Å; L2224-L2228 WeakPolarHBondContact O-CB 3.36Å; L2224-L2228 PolarHBondContact O-N 3.1Å; L2228-Y2230 VanDerWaalsContact C-N 3.27Å; L2228-Y2230 PolarHBondContact O-N 3.06Å |
| 2229 | G | 57.1 | Low | 72.6 | Confident | 10.6 Ų | 10.6 | 66.5 Ų | 66.5 | 11% | 0.109 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -84.4 | 58.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | M2056 I2225 | M2056-G2229 VanDerWaalsContact CE-CA 3.47Å; M2056-G2229 VanDerWaalsContact SD-CA 3.52Å; M2056-G2229 WeakPolarHBondContact SD-CA 3.06Å; I2225-G2229 VanDerWaalsContact O-CA 3.25Å; I2225-G2229 WeakPolarHBondContact O-CA 3.32Å; I2225-G2229 PolarHBondContact O-N 3.03Å |
| 2230 | Y | 51.7 | Low | 72.4 | Confident | 177.6 Ų | 177.6 | 65.5 Ų | 65.5 | 70% | 0.696 | 34% | 0.343 | S | S | * | . | trans | 49.2 | 120.2 | 175.3 | -69.3 | -94.6 | 0 | 0 | 0 | 116.4 | L2228 N2232 Q2233 | L2228-Y2230 VanDerWaalsContact C-N 3.27Å; L2228-Y2230 PolarHBondContact O-N 3.06Å; Y2230-N2232 PolarHBondContact O-N 3.12Å; Y2230-Q2233 HydrophobicContact CD2-CG 4.32Å; Y2230-Q2233 HydrophobicContact CG-CG 4.09Å; Y2230-Q2233 PolarHBondContact O-N 3.36Å; Y2230-Q2233 VanDerWaalsContact O-N 3.14Å | ||
| 2231 | V | 51.9 | Low | 72.3 | Confident | 141.4 Ų | 141.4 | 66.5 Ų | 66.5 | 86% | 0.857 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.4 | -13.2 | 172.9 | 179.5 | 0 | 0 | 0 | 0 | 115.8 | ||
| 2232 | N | 47.1 | Very low | 72.4 | Confident | 154.2 Ų | 154.2 | 66.4 Ų | 66.4 | 83% | 0.825 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | 9.8 | -173.9 | -62.7 | -27.1 | 0 | 0 | 0 | 115 | Y2230 | Y2230-N2232 PolarHBondContact O-N 3.12Š|
| 2233 | Q | 53.6 | Low | 72.4 | Confident | 93.4 Ų | 93.4 | 64.4 Ų | 64.4 | 44% | 0.436 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -107.3 | 147.5 | 175.5 | -69.5 | -171.3 | -6.1 | 0 | 0 | 112.4 | Y2230 | Y2230-Q2233 HydrophobicContact CD2-CG 4.32Å; Y2230-Q2233 HydrophobicContact CG-CG 4.09Å; Y2230-Q2233 PolarHBondContact O-N 3.36Å; Y2230-Q2233 VanDerWaalsContact O-N 3.14Å |
| 2234 | S | 58.7 | Low | 72.7 | Confident | 63.8 Ų | 63.8 | 60.4 Ų | 60.4 | 45% | 0.446 | 33% | 0.325 | S | S | . | . | trans | -69.8 | 146.4 | -177 | 70.8 | 0 | 0 | 0 | 0 | 112.3 | D2236 Q2237 | S2234-D2236 VanDerWaalsContact CB-OD2 3.28Å; S2234-D2236 WeakPolarHBondContact CB-OD2 3.34Å; S2234-D2236 PolarHBondContact O-N 3.03Å; S2234-D2236 PolarHBondContact OG-OD2 3.1Å; S2234-Q2237 PolarHBondContact O-N 3.18Å | ||
| 2235 | N | 68.8 | Low | 72.9 | Confident | 110.6 Ų | 110.6 | 59.7 Ų | 59.7 | 59% | 0.591 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -47.7 | -27.8 | 175.4 | -73.3 | -29.6 | 0 | 0 | 0 | 113.5 | Y2222 Q2237 A2238 L2239 | Y2222-N2235 WeakPolarHBondContact OH-CB 3.36Å; Y2222-N2235 VanDerWaalsContact OH-CG 3.29Å; Y2222-N2235 PolarHBondContact OH-OD1 2.99Å; N2235-Q2237 VanDerWaalsContact C-N 3.29Å; N2235-Q2237 PolarHBondContact O-N 3.06Å; N2235-A2238 PolarHBondContact O-N 3.06Å; N2235-L2239 PolarHBondContact O-N 3.06Å; N2235-L2239 VanDerWaalsContact O-N 3.11Å |
| 2236 | D | 76.2 | Confident | 73.3 | Confident | 75.6 Ų | 75.6 | 59.5 Ų | 59.5 | 40% | 0.404 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.7 | -32.5 | 178.1 | -43.9 | -60.5 | 0 | 0 | 0 | 112.9 | S2234 L2239 N2240 | S2234-D2236 VanDerWaalsContact CB-OD2 3.28Å; S2234-D2236 WeakPolarHBondContact CB-OD2 3.34Å; S2234-D2236 PolarHBondContact O-N 3.03Å; S2234-D2236 PolarHBondContact OG-OD2 3.1Å; D2236-L2239 PolarHBondContact O-N 3.14Å; D2236-N2240 WeakPolarHBondContact O-CB 3.37Å; D2236-N2240 PolarHBondContact O-N 3.1Å; D2236-N2240 PolarHBondContact O-ND2 3.07Å; D2236-N2240 VanDerWaalsContact O-ND2 3.14Å; D2236-N2240 PolarHBondContact O-OD1 3.31Å |
| 2237 | Q | 78.2 | Confident | 74 | Confident | 91.4 Ų | 91.4 | 57.6 Ų | 57.6 | 43% | 0.427 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.2 | -40.4 | 177.4 | -66.3 | -149.6 | 25.3 | 0 | 0 | 111.6 | S2234 N2235 L2239 N2240 V2241 | S2234-Q2237 PolarHBondContact O-N 3.18Å; N2235-Q2237 VanDerWaalsContact C-N 3.29Å; N2235-Q2237 PolarHBondContact O-N 3.06Å; Q2237-L2239 VanDerWaalsContact C-N 3.32Å; Q2237-L2239 PolarHBondContact O-N 3.03Å; Q2237-N2240 PolarHBondContact O-N 3.1Å; Q2237-N2240 VanDerWaalsContact O-N 3.17Å; Q2237-V2241 WeakPolarHBondContact O-CG2 3.37Å; Q2237-V2241 PolarHBondContact O-N 3.25Å |
| 2238 | A | 81.3 | Confident | 74.9 | Confident | 7.4 Ų | 7.4 | 55.6 Ų | 55.6 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.9 | -38.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y2222 I2225 N2235 V2241 L2242 | Y2222-A2238 HydrophobicContact CD2-CB 3.85Å; Y2222-A2238 HydrophobicContact CE2-CB 3.73Å; I2225-A2238 HydrophobicContact CB-CB 4.44Å; I2225-A2238 HydrophobicContact CG2-CB 3.86Å; N2235-A2238 PolarHBondContact O-N 3.06Å; A2238-V2241 PolarHBondContact O-N 2.77Å; A2238-L2242 WeakPolarHBondContact O-CB 3.38Å; A2238-L2242 PolarHBondContact O-N 3.15Å |
| 2239 | L | 85.6 | Confident | 75.9 | Confident | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64 | -40.7 | 171.5 | -66.9 | 177.1 | 0 | 0 | 0 | 112.3 | Y2222 N2235 D2236 Q2237 V2241 L2242 S2243 F2316 K2317 V2320 | Y2222-L2239 HydrophobicContact CD2-CD2 3.87Å; Y2222-L2239 HydrophobicContact CD2-CG 4.4Å; Y2222-L2239 HydrophobicContact CE2-CD2 3.71Å; Y2222-L2239 HydrophobicContact CE2-CG 3.88Å; N2235-L2239 PolarHBondContact O-N 3.06Å; N2235-L2239 VanDerWaalsContact O-N 3.11Å; D2236-L2239 PolarHBondContact O-N 3.14Å; Q2237-L2239 VanDerWaalsContact C-N 3.32Å; Q2237-L2239 PolarHBondContact O-N 3.03Å; L2239-V2241 PolarHBondContact O-N 3.24Å; L2239-L2242 PolarHBondContact O-N 3.24Å; L2239-S2243 VanDerWaalsContact O-CB 3.26Å; L2239-S2243 WeakPolarHBondContact O-CB 3.34Å; L2239-S2243 PolarHBondContact O-N 3.17Å; L2239-S2243 PolarHBondContact O-OG 3.05Å; L2239-F2316 HydrophobicContact CD2-CB 4.26Å; L2239-K2317 HydrophobicContact CD1-CB 4.02Å; L2239-K2317 HydrophobicContact CD1-CG 4.41Å; L2239-K2317 HydrophobicContact CD2-CB 4.44Å; L2239-V2320 HydrophobicContact CD2-CG2 4.49Å |
| 2240 | N | 85.9 | Confident | 77.5 | Confident | 36.8 Ų | 36.8 | 53.8 Ų | 53.8 | 20% | 0.197 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.6 | -35.5 | 179.1 | -66.1 | -24.1 | 0 | 0 | 0 | 112.6 | D2236 Q2237 S2243 T2244 Q2289 R2313 | D2236-N2240 WeakPolarHBondContact O-CB 3.37Å; D2236-N2240 PolarHBondContact O-N 3.1Å; D2236-N2240 PolarHBondContact O-ND2 3.07Å; D2236-N2240 VanDerWaalsContact O-ND2 3.14Å; D2236-N2240 PolarHBondContact O-OD1 3.31Å; Q2237-N2240 PolarHBondContact O-N 3.1Å; Q2237-N2240 VanDerWaalsContact O-N 3.17Å; N2240-S2243 VanDerWaalsContact CA-OG 3.31Å; N2240-S2243 WeakPolarHBondContact CA-OG 3.42Å; N2240-S2243 PolarHBondContact O-OG 3.09Å; N2240-T2244 VanDerWaalsContact O-CB 3.28Å; N2240-T2244 WeakPolarHBondContact O-CB 3.26Å; N2240-T2244 PolarHBondContact O-N 3.02Å; N2240-T2244 VanDerWaalsContact O-N 3.11Å; N2240-T2244 PolarHBondContact O-OG1 3.31Å; N2240-Q2289 HydrophobicContact CB-CG 4.37Å; N2240-Q2289 WeakPolarHBondContact OD1-CG 3.35Å; N2240-R2313 WeakPolarHBondContact OD1-CG 3.48Å |
| 2241 | V | 84.3 | Confident | 79.4 | Confident | 24.4 Ų | 24.4 | 45.4 Ų | 45.4 | 15% | 0.148 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.8 | -44.4 | 173 | 177 | 0 | 0 | 0 | 0 | 110.4 | I2225 Q2237 A2238 L2239 S2243 T2244 V2245 | I2225-V2241 HydrophobicContact CD1-CB 4.36Å; I2225-V2241 HydrophobicContact CD1-CG1 3.84Å; I2225-V2241 HydrophobicContact CG2-CB 4.39Å; I2225-V2241 HydrophobicContact CG2-CG1 4.46Å; Q2237-V2241 WeakPolarHBondContact O-CG2 3.37Å; Q2237-V2241 PolarHBondContact O-N 3.25Å; A2238-V2241 PolarHBondContact O-N 2.77Å; L2239-V2241 PolarHBondContact O-N 3.24Å; V2241-S2243 PolarHBondContact O-N 2.86Å; V2241-T2244 WeakPolarHBondContact O-CB 3.27Å; V2241-T2244 PolarHBondContact O-N 3.05Å; V2241-V2245 HydrophobicContact CG1-CG2 4.49Å; V2241-V2245 WeakPolarHBondContact O-CG2 3.38Å; V2241-V2245 PolarHBondContact O-N 3.07Å; V2241-V2245 VanDerWaalsContact O-N 3.08Å |
| 2242 | L | 88.7 | Confident | 81.3 | Confident | 1.2 Ų | 1.2 | 39.2 Ų | 39.2 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.5 | -47.5 | 176.3 | 178.2 | 65.1 | 0 | 0 | 0 | 111.9 | C2218 L2221 A2238 L2239 T2244 V2245 V2246 F2316 V2320 | C2218-L2242 HydrophobicContact CB-CD1 4.09Å; C2218-L2242 HydrophobicContact CB-CD2 4.23Å; L2221-L2242 HydrophobicContact CB-CD1 4.18Å; L2221-L2242 HydrophobicContact CD1-CD1 4.26Å; L2221-L2242 HydrophobicContact CD2-CD1 3.83Å; L2221-L2242 HydrophobicContact CG-CD1 4.4Å; A2238-L2242 WeakPolarHBondContact O-CB 3.38Å; A2238-L2242 PolarHBondContact O-N 3.15Å; L2239-L2242 PolarHBondContact O-N 3.24Å; L2242-T2244 VanDerWaalsContact C-N 3.34Å; L2242-T2244 PolarHBondContact O-N 2.83Å; L2242-V2245 PolarHBondContact O-N 3.2Å; L2242-V2246 HydrophobicContact CD1-CG2 4.05Å; L2242-V2246 WeakPolarHBondContact O-CG2 3.36Å; L2242-V2246 PolarHBondContact O-N 3.04Å; L2242-F2316 HydrophobicContact CD2-CB 4.46Å; L2242-F2316 HydrophobicContact CD2-CD1 4.14Å; L2242-F2316 HydrophobicContact CG-CD1 4.15Å; L2242-V2320 HydrophobicContact CD2-CG2 3.71Å |
| 2243 | S | 89.2 | Confident | 83.4 | Confident | 1.6 Ų | 1.6 | 34.6 Ų | 34.6 | 1% | 0.011 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.7 | -45.7 | 178.1 | 58.7 | 0 | 0 | 0 | 0 | 111.6 | L2239 N2240 V2241 V2245 V2246 F2247 A2287 F2316 | L2239-S2243 VanDerWaalsContact O-CB 3.26Å; L2239-S2243 WeakPolarHBondContact O-CB 3.34Å; L2239-S2243 PolarHBondContact O-N 3.17Å; L2239-S2243 PolarHBondContact O-OG 3.05Å; N2240-S2243 VanDerWaalsContact CA-OG 3.31Å; N2240-S2243 WeakPolarHBondContact CA-OG 3.42Å; N2240-S2243 PolarHBondContact O-OG 3.09Å; V2241-S2243 PolarHBondContact O-N 2.86Å; S2243-V2245 VanDerWaalsContact C-N 3.34Å; S2243-V2245 PolarHBondContact O-N 3.17Å; S2243-V2246 PolarHBondContact O-N 3.1Å; S2243-F2247 WeakPolarHBondContact O-CB 3.42Å; S2243-F2247 WeakPolarHBondContact O-CD2 3.3Å; S2243-F2247 PolarHBondContact O-N 3.15Å; S2243-A2287 PolarHBondContact OG-O 3.2Å; S2243-F2316 VanDerWaalsContact CA-CE2 3.46Å; S2243-F2316 VanDerWaalsContact CB-CD2 3.43Å |
| 2244 | T | 89.2 | Confident | 85 | Confident | 16.8 Ų | 16.8 | 30.3 Ų | 30.3 | 10% | 0.103 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54 | -49 | 175.7 | -67.3 | 0 | 0 | 0 | 0 | 111.7 | R2061 N2240 V2241 L2242 L2248 Q2284 A2287 N2288 | R2061-T2244 VanDerWaalsContact NH2-CG2 3.34Å; N2240-T2244 VanDerWaalsContact O-CB 3.28Å; N2240-T2244 WeakPolarHBondContact O-CB 3.26Å; N2240-T2244 PolarHBondContact O-N 3.02Å; N2240-T2244 VanDerWaalsContact O-N 3.11Å; N2240-T2244 PolarHBondContact O-OG1 3.31Å; V2241-T2244 WeakPolarHBondContact O-CB 3.27Å; V2241-T2244 PolarHBondContact O-N 3.05Å; L2242-T2244 VanDerWaalsContact C-N 3.34Å; L2242-T2244 PolarHBondContact O-N 2.83Å; T2244-L2248 WeakPolarHBondContact O-CB 3.39Å; T2244-L2248 PolarHBondContact O-N 3.11Å; T2244-L2248 VanDerWaalsContact O-N 3.07Å; T2244-Q2284 PolarHBondContact O-NE2 3.08Å; T2244-A2287 PolarHBondContact OG1-O 3.02Å; T2244-N2288 WeakPolarHBondContact CG2-OD1 3.44Å; T2244-N2288 PolarHBondContact OG1-OD1 3.08Å |
| 2245 | V | 87.8 | Confident | 86.5 | Confident | 7 Ų | 7 | 27.3 Ų | 27.3 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.2 | -44.8 | -177.1 | 172.8 | 0 | 0 | 0 | 0 | 111.8 | L2060 M2070 V2241 L2242 S2243 L2248 R2249 | L2060-V2245 HydrophobicContact CB-CG1 4.29Å; L2060-V2245 HydrophobicContact CB-CG2 4.09Å; L2060-V2245 HydrophobicContact CD1-CG1 4.25Å; L2060-V2245 HydrophobicContact CD1-CG2 4.16Å; M2070-V2245 HydrophobicContact CE-CG1 4.1Å; M2070-V2245 HydrophobicContact SD-CG1 4.34Å; V2241-V2245 HydrophobicContact CG1-CG2 4.49Å; V2241-V2245 WeakPolarHBondContact O-CG2 3.38Å; V2241-V2245 PolarHBondContact O-N 3.07Å; V2241-V2245 VanDerWaalsContact O-N 3.08Å; L2242-V2245 PolarHBondContact O-N 3.2Å; S2243-V2245 VanDerWaalsContact C-N 3.34Å; S2243-V2245 PolarHBondContact O-N 3.17Å; V2245-L2248 PolarHBondContact O-N 3.05Å; V2245-R2249 WeakPolarHBondContact O-CB 3.32Å; V2245-R2249 PolarHBondContact O-N 3.07Å |
| 2246 | V | 90.2 | Very high | 87.6 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.9 | -42.8 | -179.5 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | F2074 L2242 S2243 L2248 F2250 I2251 F2316 | F2074-V2246 HydrophobicContact CE1-CG1 4.48Å; F2074-V2246 HydrophobicContact CE1-CG2 4.42Å; F2074-V2246 HydrophobicContact CZ-CG2 4.25Å; L2242-V2246 HydrophobicContact CD1-CG2 4.05Å; L2242-V2246 WeakPolarHBondContact O-CG2 3.36Å; L2242-V2246 PolarHBondContact O-N 3.04Å; S2243-V2246 PolarHBondContact O-N 3.1Å; V2246-L2248 PolarHBondContact O-N 2.75Å; V2246-F2250 HydrophobicContact CG1-CB 4.37Å; V2246-F2250 HydrophobicContact CG1-CD1 4.11Å; V2246-F2250 WeakPolarHBondContact O-CA 3.48Å; V2246-F2250 VanDerWaalsContact O-CB 3.27Å; V2246-F2250 WeakPolarHBondContact O-CB 3.35Å; V2246-F2250 PolarHBondContact O-N 3.12Å; V2246-I2251 HydrophobicContact CG1-CD1 4.12Å; V2246-I2251 HydrophobicContact CG1-CG1 4.47Å; V2246-I2251 PolarHBondContact O-N 3.18Å; V2246-F2316 HydrophobicContact CB-CE1 3.82Å; V2246-F2316 HydrophobicContact CB-CZ 3.91Å; V2246-F2316 HydrophobicContact CG1-CE1 3.91Å; V2246-F2316 HydrophobicContact CG1-CZ 3.99Å; V2246-F2316 HydrophobicContact CG2-CE1 3.99Å; V2246-F2316 HydrophobicContact CG2-CZ 4.48Å |
| 2247 | F | 91.7 | Very high | 88 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | I | π-helix | trans | -63.4 | -43.7 | 174.9 | -89.7 | -111.2 | 0 | 0 | 0 | 111.7 | L2203 S2243 R2249 I2251 N2252 M2283 A2287 F2316 | L2203-F2247 HydrophobicContact CD2-CE1 4.09Å; L2203-F2247 HydrophobicContact CD2-CE2 4.35Å; L2203-F2247 HydrophobicContact CD2-CZ 3.63Å; L2203-F2247 VanDerWaalsContact CD2-CZ 3.49Å; S2243-F2247 WeakPolarHBondContact O-CB 3.42Å; S2243-F2247 WeakPolarHBondContact O-CD2 3.3Å; S2243-F2247 PolarHBondContact O-N 3.15Å; F2247-R2249 PolarHBondContact O-N 3.06Å; F2247-I2251 HydrophobicContact CD1-CD1 4.46Å; F2247-I2251 HydrophobicContact CD2-CD1 3.84Å; F2247-I2251 HydrophobicContact CE1-CD1 4.45Å; F2247-I2251 HydrophobicContact CE2-CD1 3.75Å; F2247-I2251 HydrophobicContact CG-CD1 4.27Å; F2247-I2251 HydrophobicContact CZ-CD1 4.15Å; F2247-N2252 VanDerWaalsContact O-CB 3.22Å; F2247-N2252 WeakPolarHBondContact O-CB 3.43Å; F2247-N2252 VanDerWaalsContact O-CG 3.27Å; F2247-N2252 PolarHBondContact O-N 3Å; F2247-N2252 PolarHBondContact O-ND2 2.93Å; F2247-M2283 HydrophobicContact CD1-CB 3.98Å; F2247-M2283 HydrophobicContact CD1-CE 4.22Å; F2247-M2283 WeakPolarHBondContact CD1-O 3.44Å; F2247-M2283 HydrophobicContact CE1-CB 3.91Å; F2247-M2283 HydrophobicContact CE1-CE 3.61Å; F2247-M2283 VanDerWaalsContact CE1-CE 3.49Å; F2247-M2283 HydrophobicContact CE1-CG 4.43Å; F2247-M2283 HydrophobicContact CZ-CE 4.43Å; F2247-A2287 HydrophobicContact CB-CB 3.58Å; F2247-A2287 HydrophobicContact CD1-CB 3.89Å; F2247-A2287 HydrophobicContact CD2-CB 3.72Å; F2247-A2287 HydrophobicContact CE1-CB 4.46Å; F2247-A2287 HydrophobicContact CE2-CB 4.38Å; F2247-A2287 HydrophobicContact CG-CB 3.44Å; F2247-A2287 VanDerWaalsContact CG-CB 3.44Å; F2247-F2316 AromaticContact CD2-CE2 3.93Å; F2247-F2316 HydrophobicContact CD2-CE2 3.93Å; F2247-F2316 AromaticContact CD2-CZ 3.86Å; F2247-F2316 HydrophobicContact CD2-CZ 3.86Å; F2247-F2316 AromaticContact CE2-CE2 3.61Å; F2247-F2316 HydrophobicContact CE2-CE2 3.61Å; F2247-F2316 AromaticContact CE2-CZ 3.77Å; F2247-F2316 HydrophobicContact CE2-CZ 3.77Å |
| 2248 | L | 90 | Very high | 88.4 | Confident | 71.4 Ų | 71.4 | 17.3 Ų | 17.3 | 37% | 0.374 | 10% | 0.099 | S | C | . | . | I | π-helix | trans | -67.3 | -37.8 | -176.9 | -176.4 | 62.4 | 0 | 0 | 0 | 113.7 | R2061 T2244 V2245 V2246 P2253 Q2284 | R2061-L2248 HydrophobicContact CG-CD2 4.27Å; T2244-L2248 WeakPolarHBondContact O-CB 3.39Å; T2244-L2248 PolarHBondContact O-N 3.11Å; T2244-L2248 VanDerWaalsContact O-N 3.07Å; V2245-L2248 PolarHBondContact O-N 3.05Å; V2246-L2248 PolarHBondContact O-N 2.75Å; L2248-P2253 WeakPolarHBondContact O-CD 3.42Å; L2248-P2253 VanDerWaalsContact O-CG 3.29Å; L2248-P2253 WeakPolarHBondContact O-CG 3.38Å; L2248-Q2284 VanDerWaalsContact CA-OE1 3.22Å |
| 2249 | R | 87 | Confident | 88.3 | Confident | 39 Ų | 39 | 20.3 Ų | 20.3 | 15% | 0.147 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -103.9 | -20.5 | -172.2 | -69.8 | -174.2 | 170.4 | -98.6 | -4.6 | 115.5 | L2060 R2061 G2062 S2067 N2071 F2074 V2245 F2247 | L2060-R2249 VanDerWaalsContact O-CZ 3.22Å; L2060-R2249 PolarHBondContact O-NE 3.21Å; L2060-R2249 VanDerWaalsContact O-NE 3.09Å; L2060-R2249 PolarHBondContact O-NH1 2.98Å; L2060-R2249 PolarHBondContact O-NH2 3.23Å; R2061-R2249 PolarHBondContact O-NH2 2.85Å; G2062-R2249 PolarHBondContact O-NH2 3.18Å; G2062-R2249 VanDerWaalsContact O-NH2 3.1Å; S2067-R2249 PolarHBondContact O-NH1 2.94Å; S2067-R2249 PolarHBondContact OG-NH1 3.23Å; S2067-R2249 PolarHBondContact OG-NH2 3.02Å; N2071-R2249 PolarHBondContact ND2-NH1 3.21Å; N2071-R2249 WeakPolarHBondContact OD1-CD 3.38Å; N2071-R2249 PolarHBondContact OD1-NH1 3Å; F2074-R2249 HydrophobicContact CD2-CB 4.12Å; F2074-R2249 HydrophobicContact CE2-CB 3.84Å; V2245-R2249 WeakPolarHBondContact O-CB 3.32Å; V2245-R2249 PolarHBondContact O-N 3.07Å; F2247-R2249 PolarHBondContact O-N 3.06Å |
| 2250 | F | 90.5 | Very high | 88 | Confident | 7.4 Ų | 7.4 | 25.9 Ų | 25.9 | 3% | 0.032 | 14% | 0.135 | C | C | . | . | I | π-helix | trans | -117.7 | -54.3 | -174.2 | -177.8 | -143.2 | 0 | 0 | 0 | 112.6 | F2074 G2078 Y2081 L2082 F2210 L2214 V2246 | F2074-F2250 HydrophobicContact CB-CB 4.24Å; F2074-F2250 HydrophobicContact CB-CD2 3.65Å; F2074-F2250 HydrophobicContact CB-CE2 4.27Å; F2074-F2250 HydrophobicContact CB-CG 4.11Å; F2074-F2250 HydrophobicContact CD1-CB 3.58Å; F2074-F2250 AromaticContact CD1-CD1 3.81Å; F2074-F2250 HydrophobicContact CD1-CD1 3.81Å; F2074-F2250 AromaticContact CD1-CD2 3.85Å; F2074-F2250 HydrophobicContact CD1-CD2 3.85Å; F2074-F2250 HydrophobicContact CD1-CE1 4.44Å; F2074-F2250 HydrophobicContact CD1-CE2 4.42Å; F2074-F2250 AromaticContact CD1-CG 3.48Å; F2074-F2250 HydrophobicContact CD1-CG 3.48Å; F2074-F2250 VanDerWaalsContact CD1-CG 3.46Å; F2074-F2250 HydrophobicContact CD2-CB 4.06Å; F2074-F2250 HydrophobicContact CE1-CB 3.83Å; F2074-F2250 HydrophobicContact CE1-CD1 4.08Å; F2074-F2250 AromaticContact CE1-CG 3.96Å; F2074-F2250 HydrophobicContact CE1-CG 4.02Å; F2074-F2250 HydrophobicContact CE2-CB 4.29Å; F2074-F2250 HydrophobicContact CG-CB 3.72Å; F2074-F2250 AromaticContact CG-CD2 3.96Å; F2074-F2250 HydrophobicContact CG-CD2 3.96Å; F2074-F2250 AromaticContact CG-CG 3.88Å; F2074-F2250 HydrophobicContact CG-CG 3.88Å; F2074-F2250 HydrophobicContact CZ-CB 4.19Å; F2074-F2250 VanDerWaalsContact O-CE2 3.3Å; F2074-F2250 WeakPolarHBondContact O-CE2 3.49Å; G2078-F2250 VanDerWaalsContact CA-CZ 3.46Å; Y2081-F2250 AromaticContact CD1-CE1 3.92Å; Y2081-F2250 HydrophobicContact CD1-CE1 4.01Å; Y2081-F2250 AromaticContact CD1-CZ 3.84Å; Y2081-F2250 HydrophobicContact CD1-CZ 3.84Å; Y2081-F2250 HydrophobicContact CE1-CE1 4.1Å; Y2081-F2250 HydrophobicContact CE1-CZ 4.37Å; L2082-F2250 HydrophobicContact CD1-CD2 3.79Å; L2082-F2250 HydrophobicContact CD1-CE2 3.33Å; L2082-F2250 HydrophobicContact CD1-CZ 4.08Å; L2082-F2250 HydrophobicContact CD2-CD2 4.43Å; L2082-F2250 HydrophobicContact CD2-CE1 4.44Å; L2082-F2250 HydrophobicContact CD2-CE2 3.99Å; L2082-F2250 HydrophobicContact CD2-CZ 3.99Å; L2082-F2250 HydrophobicContact CG-CD2 4.32Å; L2082-F2250 HydrophobicContact CG-CE2 3.56Å; L2082-F2250 HydrophobicContact CG-CZ 3.76Å; F2210-F2250 HydrophobicContact CE2-CE1 4.14Å; F2210-F2250 HydrophobicContact CZ-CE1 4.42Å; L2214-F2250 HydrophobicContact CD1-CE1 3.94Å; L2214-F2250 HydrophobicContact CD1-CE2 4.48Å; L2214-F2250 HydrophobicContact CD1-CZ 3.84Å; V2246-F2250 HydrophobicContact CG1-CB 4.37Å; V2246-F2250 HydrophobicContact CG1-CD1 4.11Å; V2246-F2250 WeakPolarHBondContact O-CA 3.48Å; V2246-F2250 VanDerWaalsContact O-CB 3.27Å; V2246-F2250 WeakPolarHBondContact O-CB 3.35Å; V2246-F2250 PolarHBondContact O-N 3.12Å |
| 2251 | I | 92 | Very high | 87.5 | Confident | 0.8 Ų | 0.8 | 26.3 Ų | 26.3 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -84.8 | -53.5 | -169.3 | -58 | 168.3 | 0 | 0 | 0 | 111.5 | L2203 V2246 F2247 A2254 V2255 M2283 | L2203-I2251 HydrophobicContact CD1-CD1 4.06Å; L2203-I2251 HydrophobicContact CD1-CG1 4.1Å; L2203-I2251 HydrophobicContact CD1-CG2 3.7Å; L2203-I2251 HydrophobicContact CD2-CD1 4.08Å; L2203-I2251 HydrophobicContact CD2-CG2 4.28Å; V2246-I2251 HydrophobicContact CG1-CD1 4.12Å; V2246-I2251 HydrophobicContact CG1-CG1 4.47Å; V2246-I2251 PolarHBondContact O-N 3.18Å; F2247-I2251 HydrophobicContact CD1-CD1 4.46Å; F2247-I2251 HydrophobicContact CD2-CD1 3.84Å; F2247-I2251 HydrophobicContact CE1-CD1 4.45Å; F2247-I2251 HydrophobicContact CE2-CD1 3.75Å; F2247-I2251 HydrophobicContact CG-CD1 4.27Å; F2247-I2251 HydrophobicContact CZ-CD1 4.15Å; I2251-A2254 WeakPolarHBondContact O-CB 3.34Å; I2251-A2254 PolarHBondContact O-N 3.19Å; I2251-A2254 VanDerWaalsContact O-N 3.14Å; I2251-V2255 HydrophobicContact CG2-CG2 4.26Å; I2251-V2255 WeakPolarHBondContact O-CG2 3.32Å; I2251-V2255 PolarHBondContact O-N 3.11Å; I2251-M2283 HydrophobicContact CG2-CE 3.63Å |
| 2252 | N | 91.9 | Very high | 87 | Confident | 11.8 Ų | 11.8 | 26 Ų | 26 | 6% | 0.063 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.3 | -37.9 | -174.7 | -67.9 | -26.4 | 0 | 0 | 0 | 113.7 | F2247 A2254 V2255 V2256 G2280 M2283 Q2284 | F2247-N2252 VanDerWaalsContact O-CB 3.22Å; F2247-N2252 WeakPolarHBondContact O-CB 3.43Å; F2247-N2252 VanDerWaalsContact O-CG 3.27Å; F2247-N2252 PolarHBondContact O-N 3Å; F2247-N2252 PolarHBondContact O-ND2 2.93Å; N2252-A2254 VanDerWaalsContact C-N 3.28Å; N2252-A2254 PolarHBondContact O-N 3.07Å; N2252-V2255 PolarHBondContact O-N 3.19Å; N2252-V2256 WeakPolarHBondContact O-CB 3.33Å; N2252-V2256 VanDerWaalsContact O-CG2 3.27Å; N2252-V2256 WeakPolarHBondContact O-CG2 3.4Å; N2252-V2256 PolarHBondContact O-N 3.15Å; N2252-G2280 PolarHBondContact ND2-O 2.94Å; N2252-M2283 WeakPolarHBondContact OD1-CB 3.29Å; N2252-Q2284 WeakPolarHBondContact ND2-CB 3.3Å; N2252-Q2284 PolarHBondContact ND2-N 2.92Å; N2252-Q2284 PolarHBondContact ND2-OE1 3.06Å |
| 2253 | P | 89.9 | Confident | 86.7 | Confident | 58 Ų | 58 | 26.4 Ų | 26.4 | 38% | 0.377 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -57.9 | -39.7 | 171.8 | -26.3 | 36.5 | 0 | 0 | 0 | 112.8 | L2248 S2257 | L2248-P2253 WeakPolarHBondContact O-CD 3.42Å; L2248-P2253 VanDerWaalsContact O-CG 3.29Å; L2248-P2253 WeakPolarHBondContact O-CG 3.38Å; P2253-S2257 PolarHBondContact O-N 3.22Å; P2253-S2257 VanDerWaalsContact O-N 3.08Å |
| 2254 | A | 88.6 | Confident | 86.1 | Confident | 2.6 Ų | 2.6 | 26.5 Ų | 26.5 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70.9 | -33.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L2082 L2086 I2251 N2252 P2258 S2261 I2263 | L2082-A2254 HydrophobicContact CD1-CB 3.71Å; L2082-A2254 HydrophobicContact CD2-CB 4.23Å; L2082-A2254 HydrophobicContact CG-CB 4.46Å; L2086-A2254 HydrophobicContact CD1-CB 4.07Å; I2251-A2254 WeakPolarHBondContact O-CB 3.34Å; I2251-A2254 PolarHBondContact O-N 3.19Å; I2251-A2254 VanDerWaalsContact O-N 3.14Å; N2252-A2254 VanDerWaalsContact C-N 3.28Å; N2252-A2254 PolarHBondContact O-N 3.07Å; A2254-P2258 WeakPolarHBondContact O-CA 3.42Å; A2254-S2261 WeakPolarHBondContact CA-OG 3.32Å; A2254-I2263 HydrophobicContact CB-CD1 3.82Å |
| 2255 | V | 90.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -73.7 | -42.5 | 174.7 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | L2086 L2199 I2251 N2252 L2276 I2279 M2283 | L2086-V2255 HydrophobicContact CD1-CG2 3.92Å; L2086-V2255 HydrophobicContact CD2-CG2 4.37Å; L2199-V2255 HydrophobicContact CD1-CG1 4.31Å; L2199-V2255 HydrophobicContact CD1-CG2 4.39Å; L2199-V2255 HydrophobicContact CD2-CB 4.48Å; L2199-V2255 HydrophobicContact CD2-CG1 3.72Å; L2199-V2255 HydrophobicContact CD2-CG2 3.9Å; I2251-V2255 HydrophobicContact CG2-CG2 4.26Å; I2251-V2255 WeakPolarHBondContact O-CG2 3.32Å; I2251-V2255 PolarHBondContact O-N 3.11Å; N2252-V2255 PolarHBondContact O-N 3.19Å; V2255-L2276 HydrophobicContact CG1-CD2 4.13Å; V2255-L2276 WeakPolarHBondContact O-CB 3.36Å; V2255-I2279 HydrophobicContact CG1-CG2 4.2Å; V2255-M2283 HydrophobicContact CG2-CE 4.47Å; V2255-M2283 HydrophobicContact CG2-SD 4.49Å |
| 2256 | V | 90.1 | Very high | 84.7 | Confident | 41.4 Ų | 41.4 | 34 Ų | 34 | 25% | 0.251 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -75 | -41 | -176.1 | 172 | 0 | 0 | 0 | 0 | 112.3 | N2252 P2258 I2277 | N2252-V2256 WeakPolarHBondContact O-CB 3.33Å; N2252-V2256 VanDerWaalsContact O-CG2 3.27Å; N2252-V2256 WeakPolarHBondContact O-CG2 3.4Å; N2252-V2256 PolarHBondContact O-N 3.15Å; V2256-P2258 VanDerWaalsContact C-CD 3.43Å; V2256-P2258 VanDerWaalsContact O-CD 3.32Å; V2256-P2258 WeakPolarHBondContact O-CD 3.36Å; V2256-I2277 HydrophobicContact CG1-CG1 3.81Å |
| 2257 | S | 86.6 | Confident | 84.2 | Confident | 25.6 Ų | 25.6 | 39.4 Ų | 39.4 | 18% | 0.179 | 21% | 0.206 | C | C | . | . | trans | -121.8 | 70 | 179.3 | -76.2 | 0 | 0 | 0 | 0 | 111.3 | P2253 Y2259 E2260 S2261 | P2253-S2257 PolarHBondContact O-N 3.22Å; P2253-S2257 VanDerWaalsContact O-N 3.08Å; S2257-Y2259 VanDerWaalsContact C-N 3.28Å; S2257-Y2259 PolarHBondContact O-N 3Å; S2257-E2260 VanDerWaalsContact CB-OE2 3.24Å; S2257-E2260 WeakPolarHBondContact CB-OE2 3.25Å; S2257-E2260 PolarHBondContact O-N 2.94Å; S2257-E2260 PolarHBondContact OG-OE2 3.18Å; S2257-S2261 VanDerWaalsContact O-CB 3.29Å; S2257-S2261 WeakPolarHBondContact O-CB 3.39Å; S2257-S2261 PolarHBondContact O-N 3.13Å; S2257-S2261 PolarHBondContact O-OG 3.2Å | ||
| 2258 | P | 84.6 | Confident | 83.6 | Confident | 1.8 Ų | 1.8 | 39.7 Ų | 39.7 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -26.1 | -176.6 | 30 | -37.2 | 0 | 0 | 0 | 112.9 | L2090 A2254 V2256 G2262 I2263 L2264 P2268 L2276 | L2090-P2258 HydrophobicContact CD1-CB 3.81Å; A2254-P2258 WeakPolarHBondContact O-CA 3.42Å; V2256-P2258 VanDerWaalsContact C-CD 3.43Å; V2256-P2258 VanDerWaalsContact O-CD 3.32Å; V2256-P2258 WeakPolarHBondContact O-CD 3.36Å; P2258-G2262 PolarHBondContact O-N 3.03Å; P2258-I2263 HydrophobicContact CB-CB 4.47Å; P2258-I2263 WeakPolarHBondContact O-CA 3.39Å; P2258-I2263 WeakPolarHBondContact O-CB 3.32Å; P2258-I2263 PolarHBondContact O-N 3.16Å; P2258-L2264 HydrophobicContact CB-CB 4.43Å; P2258-L2264 HydrophobicContact CB-CD1 4.05Å; P2258-L2264 HydrophobicContact CB-CG 4.08Å; P2258-L2264 HydrophobicContact CG-CD1 3.89Å; P2258-L2264 HydrophobicContact CG-CG 4.45Å; P2258-L2264 PolarHBondContact O-N 3.26Å; P2258-L2264 VanDerWaalsContact O-N 3.09Å; P2258-P2268 HydrophobicContact CG-CG 4.03Å; P2258-L2276 HydrophobicContact CG-CD1 4.02Å |
| 2259 | Y | 80.5 | Confident | 83.2 | Confident | 70 Ų | 70 | 38.9 Ų | 38.9 | 28% | 0.275 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -49.6 | 174.1 | 174.2 | -105.9 | 0 | 0 | 0 | 112.2 | S2257 S2261 G2262 L2264 D2265 F2266 E2267 R2476 | S2257-Y2259 VanDerWaalsContact C-N 3.28Å; S2257-Y2259 PolarHBondContact O-N 3Å; Y2259-S2261 VanDerWaalsContact C-N 3.27Å; Y2259-S2261 PolarHBondContact O-N 3.18Å; Y2259-G2262 WeakPolarHBondContact O-CA 3.44Å; Y2259-G2262 PolarHBondContact O-N 3.06Å; Y2259-L2264 WeakPolarHBondContact CA-O 3.35Å; Y2259-D2265 WeakPolarHBondContact CE2-O 3.28Å; Y2259-F2266 VanDerWaalsContact CD2-C 3.43Å; Y2259-F2266 WeakPolarHBondContact CD2-O 3.41Å; Y2259-E2267 HydrophobicContact CD1-CB 4.45Å; Y2259-E2267 HydrophobicContact CD2-CB 4.46Å; Y2259-E2267 HydrophobicContact CG-CB 4.32Å; Y2259-R2476 PolarHBondContact O-NH1 3.49Å |
| 2260 | E | 78.3 | Confident | 83 | Confident | 125.6 Ų | 125.6 | 41.9 Ų | 41.9 | 59% | 0.587 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -28.5 | 179 | -53.4 | 176.9 | 145.9 | 0 | 0 | 111.9 | S2257 G2262 | S2257-E2260 VanDerWaalsContact CB-OE2 3.24Å; S2257-E2260 WeakPolarHBondContact CB-OE2 3.25Å; S2257-E2260 PolarHBondContact O-N 2.94Å; S2257-E2260 PolarHBondContact OG-OE2 3.18Å; E2260-G2262 VanDerWaalsContact C-N 3.28Å; E2260-G2262 PolarHBondContact O-N 3.36Å |
| 2261 | S | 75.8 | Confident | 82.7 | Confident | 45.8 Ų | 45.8 | 45.7 Ų | 45.7 | 32% | 0.32 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -5.9 | 174.3 | -56.1 | 0 | 0 | 0 | 0 | 113.6 | A2254 S2257 Y2259 I2263 | A2254-S2261 WeakPolarHBondContact CA-OG 3.32Å; S2257-S2261 VanDerWaalsContact O-CB 3.29Å; S2257-S2261 WeakPolarHBondContact O-CB 3.39Å; S2257-S2261 PolarHBondContact O-N 3.13Å; S2257-S2261 PolarHBondContact O-OG 3.2Å; Y2259-S2261 VanDerWaalsContact C-N 3.27Å; Y2259-S2261 PolarHBondContact O-N 3.18Å; S2261-I2263 VanDerWaalsContact C-N 3.3Å |
| 2262 | G | 73.7 | Confident | 82.4 | Confident | 17.6 Ų | 17.6 | 45.8 Ų | 45.8 | 18% | 0.181 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 26.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | P2258 Y2259 E2260 | P2258-G2262 PolarHBondContact O-N 3.03Å; Y2259-G2262 WeakPolarHBondContact O-CA 3.44Å; Y2259-G2262 PolarHBondContact O-N 3.06Å; E2260-G2262 VanDerWaalsContact C-N 3.28Å; E2260-G2262 PolarHBondContact O-N 3.36Å |
| 2263 | I | 81.9 | Confident | 82.2 | Confident | 9.4 Ų | 9.4 | 48.2 Ų | 48.2 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -93.9 | -36.3 | 179.6 | -59.4 | 173 | 0 | 0 | 0 | 111.8 | L2082 Q2083 L2086 L2090 A2254 P2258 S2261 | L2082-I2263 HydrophobicContact CB-CD1 3.94Å; Q2083-I2263 PolarHBondContact NE2-O 2.97Å; Q2083-I2263 VanDerWaalsContact OE1-CA 3.29Å; L2086-I2263 HydrophobicContact CD1-CD1 4.37Å; L2090-I2263 HydrophobicContact CD1-CG2 3.8Å; A2254-I2263 HydrophobicContact CB-CD1 3.82Å; P2258-I2263 HydrophobicContact CB-CB 4.47Å; P2258-I2263 WeakPolarHBondContact O-CA 3.39Å; P2258-I2263 WeakPolarHBondContact O-CB 3.32Å; P2258-I2263 PolarHBondContact O-N 3.16Å; S2261-I2263 VanDerWaalsContact C-N 3.3Å |
| 2264 | L | 78 | Confident | 82.1 | Confident | 3.6 Ų | 3.6 | 48.6 Ų | 48.6 | 2% | 0.019 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -113.4 | 139 | 168.9 | -65.9 | 179.5 | 0 | 0 | 0 | 109.5 | L2090 M2091 V2094 P2258 Y2259 F2266 P2268 R2476 | L2090-L2264 HydrophobicContact CB-CD1 4.36Å; L2090-L2264 HydrophobicContact CB-CD2 4.29Å; L2090-L2264 HydrophobicContact CB-CG 4.43Å; M2091-L2264 HydrophobicContact CB-CD2 4.3Å; M2091-L2264 HydrophobicContact CE-CD2 3.69Å; M2091-L2264 HydrophobicContact CG-CD2 3.77Å; M2091-L2264 HydrophobicContact SD-CD2 3.81Å; V2094-L2264 HydrophobicContact CG2-CD1 4.24Å; P2258-L2264 HydrophobicContact CB-CB 4.43Å; P2258-L2264 HydrophobicContact CB-CD1 4.05Å; P2258-L2264 HydrophobicContact CB-CG 4.08Å; P2258-L2264 HydrophobicContact CG-CD1 3.89Å; P2258-L2264 HydrophobicContact CG-CG 4.45Å; P2258-L2264 PolarHBondContact O-N 3.26Å; P2258-L2264 VanDerWaalsContact O-N 3.09Å; Y2259-L2264 WeakPolarHBondContact CA-O 3.35Å; L2264-F2266 VanDerWaalsContact C-N 3.32Å; L2264-F2266 HydrophobicContact CD1-CE2 4.36Å; L2264-F2266 HydrophobicContact CD1-CZ 4.39Å; L2264-F2266 HydrophobicContact CD2-CZ 4.33Å; L2264-F2266 PolarHBondContact O-N 3.05Å; L2264-P2268 HydrophobicContact CD1-CB 4.46Å; L2264-R2476 PolarHBondContact O-NH2 3.22Å |
| 2265 | D | 71 | Confident | 82.2 | Confident | 104 Ų | 104 | 48.5 Ų | 48.5 | 56% | 0.556 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -81 | -11.1 | -178.2 | -60.7 | -55 | 0 | 0 | 0 | 114.2 | Y2259 T2475 R2476 | Y2259-D2265 WeakPolarHBondContact CE2-O 3.28Å; D2265-T2475 HydrophobicContact CB-CG2 4.37Å; D2265-R2476 IonicContact OD1-CZ 3.36Å; D2265-R2476 VanDerWaalsContact OD1-CZ 3.22Å; D2265-R2476 IonicContact OD1-NE 3.35Å; D2265-R2476 PolarHBondContact OD1-NE 3.27Å; D2265-R2476 IonicContact OD1-NH2 2.9Å; D2265-R2476 PolarHBondContact OD1-NH2 3.43Å |
| 2266 | F | 76.9 | Confident | 82.2 | Confident | 77.8 Ų | 77.8 | 48.7 Ų | 48.7 | 34% | 0.341 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -123.4 | 155.7 | 176.1 | 57.3 | -92 | 0 | 0 | 0 | 110.4 | M2091 V2094 Y2259 L2264 | M2091-F2266 HydrophobicContact CE-CE1 3.91Å; M2091-F2266 HydrophobicContact CE-CZ 4.39Å; M2091-F2266 HydrophobicContact SD-CE1 3.84Å; M2091-F2266 HydrophobicContact SD-CZ 3.86Å; V2094-F2266 HydrophobicContact CB-CE2 4.38Å; V2094-F2266 HydrophobicContact CB-CZ 4.31Å; V2094-F2266 HydrophobicContact CG1-CE2 3.72Å; V2094-F2266 HydrophobicContact CG1-CZ 3.82Å; V2094-F2266 HydrophobicContact CG2-CE2 3.99Å; V2094-F2266 HydrophobicContact CG2-CZ 4.2Å; Y2259-F2266 VanDerWaalsContact CD2-C 3.43Å; Y2259-F2266 WeakPolarHBondContact CD2-O 3.41Å; L2264-F2266 VanDerWaalsContact C-N 3.32Å; L2264-F2266 HydrophobicContact CD1-CE2 4.36Å; L2264-F2266 HydrophobicContact CD1-CZ 4.39Å; L2264-F2266 HydrophobicContact CD2-CZ 4.33Å; L2264-F2266 PolarHBondContact O-N 3.05Å |
| 2267 | E | 78.1 | Confident | 82.3 | Confident | 113.2 Ų | 113.2 | 49.6 Ų | 49.6 | 53% | 0.529 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 126.8 | 172.6 | -169.1 | 172.8 | -175.7 | 0 | 0 | 110.1 | Y2259 K2273 | Y2259-E2267 HydrophobicContact CD1-CB 4.45Å; Y2259-E2267 HydrophobicContact CD2-CB 4.46Å; Y2259-E2267 HydrophobicContact CG-CB 4.32Å; E2267-K2273 IonicContact OE1-NZ 3.24Å; E2267-K2273 PolarHBondContact OE1-NZ 3.04Å |
| 2268 | P | 79.7 | Confident | 82.5 | Confident | 6.8 Ų | 6.8 | 48.4 Ų | 48.4 | 4% | 0.044 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -66.2 | 147.5 | -178.6 | 26.5 | -35 | 0 | 0 | 0 | 111.8 | V2094 P2258 L2264 V2272 K2273 L2276 | V2094-P2268 HydrophobicContact CG2-CB 4.39Å; P2258-P2268 HydrophobicContact CG-CG 4.03Å; L2264-P2268 HydrophobicContact CD1-CB 4.46Å; P2268-V2272 HydrophobicContact CB-CB 4.36Å; P2268-V2272 HydrophobicContact CB-CG1 4.23Å; P2268-K2273 HydrophobicContact CG-CB 4.42Å; P2268-L2276 HydrophobicContact CG-CD1 4.38Å |
| 2269 | P | 81.8 | Confident | 82.8 | Confident | 54 Ų | 54 | 48.4 Ų | 48.4 | 35% | 0.351 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -52.4 | 147.9 | 178.1 | -26.5 | 33.9 | 0 | 0 | 0 | 112.8 | R2271 V2272 K2273 | P2269-R2271 PolarHBondContact O-N 3.25Å; P2269-R2271 VanDerWaalsContact O-N 3.1Å; P2269-V2272 HydrophobicContact CB-CG2 4.31Å; P2269-V2272 HydrophobicContact CG-CG2 4.37Å; P2269-V2272 CarbonylContact O-C 3.56Å; P2269-V2272 WeakPolarHBondContact O-CA 3.31Å; P2269-V2272 WeakPolarHBondContact O-CB 3.39Å; P2269-V2272 PolarHBondContact O-N 3.1Å; P2269-K2273 PolarHBondContact O-N 3.22Å |
| 2270 | S | 83.5 | Confident | 83.4 | Confident | 103.6 Ų | 103.6 | 45.3 Ų | 45.3 | 72% | 0.724 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -54.1 | -35.6 | -174.1 | -10.6 | 0 | 0 | 0 | 0 | 113.9 | K2273 R2274 | S2270-K2273 PolarHBondContact O-N 2.84Å; S2270-R2274 WeakPolarHBondContact O-CB 3.32Å; S2270-R2274 PolarHBondContact O-N 3.23Å |
| 2271 | R | 82.3 | Confident | 84 | Confident | 86 Ų | 86 | 42.3 Ų | 42.3 | 33% | 0.325 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.4 | -48.4 | 173.2 | -64.8 | -177.6 | -166.8 | 173.6 | -3.4 | 112.2 | D2097 N2169 L2170 P2269 R2274 G2275 | D2097-R2271 IonicContact OD1-CZ 2.74Å; D2097-R2271 VanDerWaalsContact OD1-CZ 3.31Å; D2097-R2271 IonicContact OD1-NE 3.1Å; D2097-R2271 PolarHBondContact OD1-NE 2.93Å; D2097-R2271 IonicContact OD1-NH2 2.66Å; D2097-R2271 PolarHBondContact OD1-NH2 2.85Å; D2097-R2271 IonicContact OD2-CZ 3.44Å; D2097-R2271 IonicContact OD2-NE 2.74Å; D2097-R2271 PolarHBondContact OD2-NE 3.11Å; D2097-R2271 IonicContact OD2-NH2 2.68Å; D2097-R2271 PolarHBondContact OD2-NH2 3.13Å; N2169-R2271 PolarHBondContact OD1-NH1 2.97Å; N2169-R2271 PolarHBondContact OD1-NH2 2.94Å; N2169-R2271 VanDerWaalsContact OD1-NH2 3.15Å; L2170-R2271 WeakPolarHBondContact O-CD 3.38Å; L2170-R2271 PolarHBondContact O-NE 2.8Å; P2269-R2271 PolarHBondContact O-N 3.25Å; P2269-R2271 VanDerWaalsContact O-N 3.1Å; R2271-R2274 PolarHBondContact O-N 3.07Å; R2271-G2275 PolarHBondContact O-N 3.02Å |
| 2272 | V | 86.1 | Confident | 84.8 | Confident | 3.8 Ų | 3.8 | 40.1 Ų | 40.1 | 2% | 0.023 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.8 | -43.8 | 177.3 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | V2094 D2097 P2268 P2269 R2274 G2275 L2276 | V2094-V2272 HydrophobicContact CG2-CG1 4.26Å; D2097-V2272 HydrophobicContact CB-CG2 3.75Å; D2097-V2272 WeakPolarHBondContact OD2-CG2 3.47Å; P2268-V2272 HydrophobicContact CB-CB 4.36Å; P2268-V2272 HydrophobicContact CB-CG1 4.23Å; P2269-V2272 HydrophobicContact CB-CG2 4.31Å; P2269-V2272 HydrophobicContact CG-CG2 4.37Å; P2269-V2272 CarbonylContact O-C 3.56Å; P2269-V2272 WeakPolarHBondContact O-CA 3.31Å; P2269-V2272 WeakPolarHBondContact O-CB 3.39Å; P2269-V2272 PolarHBondContact O-N 3.1Å; V2272-R2274 VanDerWaalsContact C-N 3.31Å; V2272-R2274 PolarHBondContact O-N 3.25Å; V2272-G2275 WeakPolarHBondContact O-CA 3.38Å; V2272-G2275 PolarHBondContact O-N 3.2Å; V2272-G2275 VanDerWaalsContact O-N 3.11Å; V2272-L2276 HydrophobicContact CG1-CD1 4.11Å; V2272-L2276 HydrophobicContact CG1-CG 4.33Å; V2272-L2276 VanDerWaalsContact O-CG 3.31Å; V2272-L2276 WeakPolarHBondContact O-CG 3.36Å; V2272-L2276 PolarHBondContact O-N 3.28Å |
| 2273 | K | 87.9 | Confident | 85.7 | Confident | 61.6 Ų | 61.6 | 39.3 Ų | 39.3 | 27% | 0.268 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.3 | -41.1 | 175.6 | -166.4 | 172.4 | -175.7 | 174.5 | 0 | 111.8 | E2267 P2268 P2269 S2270 L2276 I2277 | E2267-K2273 IonicContact OE1-NZ 3.24Å; E2267-K2273 PolarHBondContact OE1-NZ 3.04Å; P2268-K2273 HydrophobicContact CG-CB 4.42Å; P2269-K2273 PolarHBondContact O-N 3.22Å; S2270-K2273 PolarHBondContact O-N 2.84Å; K2273-L2276 PolarHBondContact O-N 3.08Å; K2273-I2277 WeakPolarHBondContact O-CD1 3.41Å; K2273-I2277 VanDerWaalsContact O-CG1 3.31Å; K2273-I2277 WeakPolarHBondContact O-CG1 3.23Å; K2273-I2277 PolarHBondContact O-N 2.89Å; K2273-I2277 VanDerWaalsContact O-N 3.09Å |
| 2274 | R | 88.5 | Confident | 86.1 | Confident | 66.2 Ų | 66.2 | 40 Ų | 40 | 25% | 0.25 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.6 | -45.3 | 172.4 | 177.2 | 57.4 | 171.3 | 168.7 | 3.6 | 112.2 | E2173 S2270 R2271 V2272 L2276 I2277 L2278 | E2173-R2274 VanDerWaalsContact CD-NH2 3.32Å; E2173-R2274 IonicContact OE1-CZ 3.42Å; E2173-R2274 IonicContact OE1-NE 2.93Å; E2173-R2274 PolarHBondContact OE1-NE 2.86Å; E2173-R2274 IonicContact OE1-NH2 3.35Å; E2173-R2274 PolarHBondContact OE1-NH2 3.09Å; E2173-R2274 WeakPolarHBondContact OE2-CG 3.49Å; E2173-R2274 IonicContact OE2-CZ 3.08Å; E2173-R2274 VanDerWaalsContact OE2-CZ 3.28Å; E2173-R2274 IonicContact OE2-NE 3.65Å; E2173-R2274 PolarHBondContact OE2-NE 3.04Å; E2173-R2274 IonicContact OE2-NH2 2.73Å; E2173-R2274 PolarHBondContact OE2-NH2 2.97Å; E2173-R2274 VanDerWaalsContact OE2-NH2 3.09Å; S2270-R2274 WeakPolarHBondContact O-CB 3.32Å; S2270-R2274 PolarHBondContact O-N 3.23Å; R2271-R2274 PolarHBondContact O-N 3.07Å; V2272-R2274 VanDerWaalsContact C-N 3.31Å; V2272-R2274 PolarHBondContact O-N 3.25Å; R2274-L2276 VanDerWaalsContact C-N 3.34Å; R2274-L2276 PolarHBondContact O-N 3.35Å; R2274-I2277 WeakPolarHBondContact O-CB 3.44Å; R2274-I2277 PolarHBondContact O-N 3.06Å; R2274-L2278 HydrophobicContact CG-CD1 4.42Å; R2274-L2278 WeakPolarHBondContact O-CG 3.3Å; R2274-L2278 PolarHBondContact O-N 3.16Å |
| 2275 | G | 89.4 | Confident | 86.8 | Confident | 1.4 Ų | 1.4 | 41.1 Ų | 41.1 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.5 | -46.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R2271 V2272 I2277 L2278 I2279 | R2271-G2275 PolarHBondContact O-N 3.02Å; V2272-G2275 WeakPolarHBondContact O-CA 3.38Å; V2272-G2275 PolarHBondContact O-N 3.2Å; V2272-G2275 VanDerWaalsContact O-N 3.11Å; G2275-I2277 VanDerWaalsContact C-N 3.34Å; G2275-I2277 PolarHBondContact O-N 2.98Å; G2275-L2278 WeakPolarHBondContact O-CB 2.97Å; G2275-L2278 PolarHBondContact O-N 3.12Å; G2275-L2278 VanDerWaalsContact O-N 3.1Å; G2275-I2279 VanDerWaalsContact O-CG1 3.29Å; G2275-I2279 WeakPolarHBondContact O-CG1 3.36Å; G2275-I2279 PolarHBondContact O-N 3.11Å |
| 2276 | L | 91.3 | Very high | 87.8 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62 | -37.1 | 177.6 | -69.1 | 171.7 | 0 | 0 | 0 | 113.1 | L2090 L2093 V2255 P2258 P2268 V2272 K2273 R2274 L2278 I2279 G2280 | L2090-L2276 HydrophobicContact CD2-CD1 4.27Å; L2090-L2276 HydrophobicContact CD2-CD2 3.48Å; L2090-L2276 VanDerWaalsContact CD2-CD2 3.48Å; L2090-L2276 HydrophobicContact CD2-CG 4.5Å; L2093-L2276 HydrophobicContact CD1-CD2 4.38Å; V2255-L2276 HydrophobicContact CG1-CD2 4.13Å; V2255-L2276 WeakPolarHBondContact O-CB 3.36Å; P2258-L2276 HydrophobicContact CG-CD1 4.02Å; P2268-L2276 HydrophobicContact CG-CD1 4.38Å; V2272-L2276 HydrophobicContact CG1-CD1 4.11Å; V2272-L2276 HydrophobicContact CG1-CG 4.33Å; V2272-L2276 VanDerWaalsContact O-CG 3.31Å; V2272-L2276 WeakPolarHBondContact O-CG 3.36Å; V2272-L2276 PolarHBondContact O-N 3.28Å; K2273-L2276 PolarHBondContact O-N 3.08Å; R2274-L2276 VanDerWaalsContact C-N 3.34Å; R2274-L2276 PolarHBondContact O-N 3.35Å; L2276-L2278 VanDerWaalsContact C-N 3.34Å; L2276-L2278 PolarHBondContact O-N 3.14Å; L2276-I2279 HydrophobicContact CD2-CD1 4.33Å; L2276-I2279 PolarHBondContact O-N 3.11Å; L2276-G2280 PolarHBondContact O-N 3.09Å |
| 2277 | I | 91.2 | Very high | 88.4 | Confident | 61.4 Ų | 61.4 | 32.5 Ų | 32.5 | 32% | 0.315 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -60.8 | -42.5 | 171.9 | -70.3 | 161.7 | 0 | 0 | 0 | 111.3 | V2256 K2273 R2274 G2275 G2280 K2281 | V2256-I2277 HydrophobicContact CG1-CG1 3.81Å; K2273-I2277 WeakPolarHBondContact O-CD1 3.41Å; K2273-I2277 VanDerWaalsContact O-CG1 3.31Å; K2273-I2277 WeakPolarHBondContact O-CG1 3.23Å; K2273-I2277 PolarHBondContact O-N 2.89Å; K2273-I2277 VanDerWaalsContact O-N 3.09Å; R2274-I2277 WeakPolarHBondContact O-CB 3.44Å; R2274-I2277 PolarHBondContact O-N 3.06Å; G2275-I2277 VanDerWaalsContact C-N 3.34Å; G2275-I2277 PolarHBondContact O-N 2.98Å; I2277-G2280 PolarHBondContact O-N 3.22Å; I2277-K2281 PolarHBondContact O-N 3.14Å; I2277-K2281 VanDerWaalsContact O-N 3.1Å |
| 2278 | L | 91.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -71.6 | -40.5 | 179.4 | -64.2 | 170.3 | 0 | 0 | 0 | 111.9 | Y2172 V2174 L2192 R2274 G2275 L2276 G2280 K2281 M2282 M2298 | Y2172-L2278 VanDerWaalsContact O-CD1 3.25Å; Y2172-L2278 WeakPolarHBondContact O-CD1 3.22Å; V2174-L2278 HydrophobicContact CG2-CD1 3.92Å; V2174-L2278 HydrophobicContact CG2-CD2 4.46Å; L2192-L2278 HydrophobicContact CD1-CB 3.95Å; L2192-L2278 HydrophobicContact CD2-CB 3.99Å; L2192-L2278 HydrophobicContact CD2-CD1 4.16Å; R2274-L2278 HydrophobicContact CG-CD1 4.42Å; R2274-L2278 WeakPolarHBondContact O-CG 3.3Å; R2274-L2278 PolarHBondContact O-N 3.16Å; G2275-L2278 WeakPolarHBondContact O-CB 2.97Å; G2275-L2278 PolarHBondContact O-N 3.12Å; G2275-L2278 VanDerWaalsContact O-N 3.1Å; L2276-L2278 VanDerWaalsContact C-N 3.34Å; L2276-L2278 PolarHBondContact O-N 3.14Å; L2278-G2280 VanDerWaalsContact C-N 3.33Å; L2278-G2280 PolarHBondContact O-N 3.36Å; L2278-K2281 HydrophobicContact CD2-CD 4.44Å; L2278-K2281 WeakPolarHBondContact O-CB 3.2Å; L2278-K2281 PolarHBondContact O-N 3.16Å; L2278-M2282 WeakPolarHBondContact O-CG 3.38Å; L2278-M2282 PolarHBondContact O-N 3.09Å; L2278-M2298 HydrophobicContact CD2-CE 4.38Å; L2278-M2298 HydrophobicContact CD2-SD 4.03Å |
| 2279 | I | 92.1 | Very high | 89.3 | Confident | 2.4 Ų | 2.4 | 30.1 Ų | 30.1 | 1% | 0.012 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.3 | -46.1 | 172 | -66.1 | 164 | 0 | 0 | 0 | 110.1 | L2093 L2192 A2195 T2196 L2199 V2255 G2275 L2276 K2281 M2282 M2283 | L2093-I2279 HydrophobicContact CD1-CD1 4.49Å; L2192-I2279 HydrophobicContact CD1-CD1 4.43Å; L2192-I2279 HydrophobicContact CD1-CG1 3.75Å; A2195-I2279 HydrophobicContact CB-CD1 3.74Å; T2196-I2279 HydrophobicContact CG2-CG2 4.47Å; L2199-I2279 HydrophobicContact CD2-CG2 3.73Å; V2255-I2279 HydrophobicContact CG1-CG2 4.2Å; G2275-I2279 VanDerWaalsContact O-CG1 3.29Å; G2275-I2279 WeakPolarHBondContact O-CG1 3.36Å; G2275-I2279 PolarHBondContact O-N 3.11Å; L2276-I2279 HydrophobicContact CD2-CD1 4.33Å; L2276-I2279 PolarHBondContact O-N 3.11Å; I2279-K2281 VanDerWaalsContact C-N 3.33Å; I2279-K2281 PolarHBondContact O-N 3.04Å; I2279-M2282 PolarHBondContact O-N 3.05Å; I2279-M2282 VanDerWaalsContact O-N 3.15Å; I2279-M2283 HydrophobicContact CG2-CG 4.29Å; I2279-M2283 HydrophobicContact CG2-SD 3.75Å; I2279-M2283 WeakPolarHBondContact O-CB 3.38Å; I2279-M2283 WeakPolarHBondContact O-CG 3.38Å; I2279-M2283 PolarHBondContact O-N 3.03Å |
| 2280 | G | 92.1 | Very high | 89.6 | Confident | 5 Ų | 5 | 32.1 Ų | 32.1 | 5% | 0.052 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59 | -39.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N2252 L2276 I2277 L2278 Q2284 | N2252-G2280 PolarHBondContact ND2-O 2.94Å; L2276-G2280 PolarHBondContact O-N 3.09Å; I2277-G2280 PolarHBondContact O-N 3.22Å; L2278-G2280 VanDerWaalsContact C-N 3.33Å; L2278-G2280 PolarHBondContact O-N 3.36Å; G2280-Q2284 WeakPolarHBondContact O-CB 3.45Å; G2280-Q2284 PolarHBondContact O-N 3.09Å |
| 2281 | K | 91.4 | Very high | 89.9 | Confident | 60.8 Ų | 60.8 | 30.2 Ų | 30.2 | 26% | 0.264 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -63.5 | -46.4 | 172.2 | -74.2 | 179.7 | 172.5 | -172.8 | 0 | 112.4 | I2277 L2278 I2279 M2283 Q2284 N2285 F2292 E2295 | I2277-K2281 PolarHBondContact O-N 3.14Å; I2277-K2281 VanDerWaalsContact O-N 3.1Å; L2278-K2281 HydrophobicContact CD2-CD 4.44Å; L2278-K2281 WeakPolarHBondContact O-CB 3.2Å; L2278-K2281 PolarHBondContact O-N 3.16Å; I2279-K2281 VanDerWaalsContact C-N 3.33Å; I2279-K2281 PolarHBondContact O-N 3.04Å; K2281-M2283 VanDerWaalsContact C-N 3.35Å; K2281-Q2284 PolarHBondContact O-N 3.01Å; K2281-N2285 PolarHBondContact O-N 3.12Å; K2281-F2292 HydrophobicContact CB-CE1 4.45Å; K2281-F2292 HydrophobicContact CB-CZ 4.36Å; K2281-E2295 IonicContact NZ-OE1 3.34Å; K2281-E2295 PolarHBondContact NZ-OE1 2.97Å; K2281-E2295 IonicContact NZ-OE2 3.22Å; K2281-E2295 PolarHBondContact NZ-OE2 3.08Å |
| 2282 | M | 92.3 | Very high | 90.2 | Very high | 0.8 Ų | 0.8 | 26.7 Ų | 26.7 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.1 | -45.9 | 179 | -69.1 | 175.2 | 64.6 | 0 | 0 | 110.9 | L2192 T2196 L2278 I2279 Q2284 N2285 I2286 F2292 M2298 F2301 L2305 | L2192-M2282 HydrophobicContact CD2-SD 4.04Å; L2192-M2282 HydrophobicContact CG-SD 4.13Å; T2196-M2282 HydrophobicContact CG2-CB 4.31Å; T2196-M2282 HydrophobicContact CG2-CE 4.12Å; L2278-M2282 WeakPolarHBondContact O-CG 3.38Å; L2278-M2282 PolarHBondContact O-N 3.09Å; I2279-M2282 PolarHBondContact O-N 3.05Å; I2279-M2282 VanDerWaalsContact O-N 3.15Å; M2282-Q2284 PolarHBondContact O-N 3.15Å; M2282-N2285 PolarHBondContact O-N 3.13Å; M2282-N2285 VanDerWaalsContact O-N 3.13Å; M2282-I2286 WeakPolarHBondContact O-CG1 3.33Å; M2282-I2286 PolarHBondContact O-N 3Å; M2282-F2292 HydrophobicContact CG-CE2 4.07Å; M2282-F2292 HydrophobicContact CG-CZ 4.05Å; M2282-M2298 HydrophobicContact CG-CE 3.69Å; M2282-M2298 HydrophobicContact SD-CE 4.07Å; M2282-F2301 HydrophobicContact CE-CB 3.72Å; M2282-F2301 HydrophobicContact CE-CD1 4.01Å; M2282-F2301 HydrophobicContact CE-CD2 4.35Å; M2282-F2301 HydrophobicContact CE-CG 3.76Å; M2282-F2301 HydrophobicContact SD-CB 4.44Å; M2282-F2301 HydrophobicContact SD-CD1 4.45Å; M2282-F2301 HydrophobicContact SD-CD2 4.12Å; M2282-F2301 HydrophobicContact SD-CE2 4.48Å; M2282-F2301 HydrophobicContact SD-CG 4.13Å; M2282-L2305 HydrophobicContact CB-CD2 4.15Å; M2282-L2305 HydrophobicContact CE-CD2 4.34Å; M2282-L2305 HydrophobicContact CG-CD2 4.43Å; M2282-L2305 WeakPolarHBondContact O-CD2 3.41Å |
| 2283 | M | 92.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.9 | -40.8 | 175.3 | -75 | 179 | 66.6 | 0 | 0 | 112.8 | L2199 L2203 F2247 I2251 N2252 V2255 I2279 K2281 N2285 I2286 A2287 | L2199-M2283 HydrophobicContact CD2-CE 3.71Å; L2199-M2283 HydrophobicContact CD2-SD 3.65Å; L2199-M2283 WeakPolarHBondContact CD2-SD 3.4Å; L2199-M2283 HydrophobicContact CG-SD 4.44Å; L2203-M2283 HydrophobicContact CD2-CE 3.88Å; F2247-M2283 HydrophobicContact CD1-CB 3.98Å; F2247-M2283 HydrophobicContact CD1-CE 4.22Å; F2247-M2283 WeakPolarHBondContact CD1-O 3.44Å; F2247-M2283 HydrophobicContact CE1-CB 3.91Å; F2247-M2283 HydrophobicContact CE1-CE 3.61Å; F2247-M2283 VanDerWaalsContact CE1-CE 3.49Å; F2247-M2283 HydrophobicContact CE1-CG 4.43Å; F2247-M2283 HydrophobicContact CZ-CE 4.43Å; I2251-M2283 HydrophobicContact CG2-CE 3.63Å; N2252-M2283 WeakPolarHBondContact OD1-CB 3.29Å; V2255-M2283 HydrophobicContact CG2-CE 4.47Å; V2255-M2283 HydrophobicContact CG2-SD 4.49Å; I2279-M2283 HydrophobicContact CG2-CG 4.29Å; I2279-M2283 HydrophobicContact CG2-SD 3.75Å; I2279-M2283 WeakPolarHBondContact O-CB 3.38Å; I2279-M2283 WeakPolarHBondContact O-CG 3.38Å; I2279-M2283 PolarHBondContact O-N 3.03Å; K2281-M2283 VanDerWaalsContact C-N 3.35Å; M2283-N2285 VanDerWaalsContact C-N 3.33Å; M2283-N2285 PolarHBondContact O-N 3.06Å; M2283-I2286 PolarHBondContact O-N 3Å; M2283-A2287 WeakPolarHBondContact O-CB 3.28Å; M2283-A2287 PolarHBondContact O-N 2.98Å |
| 2284 | Q | 91.3 | Very high | 89.9 | Confident | 24.6 Ų | 24.6 | 36.4 Ų | 36.4 | 12% | 0.115 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.9 | -39.3 | 173.5 | -167.7 | 63.3 | 58.1 | 0 | 0 | 112 | T2244 L2248 N2252 G2280 K2281 M2282 A2287 N2288 | T2244-Q2284 PolarHBondContact O-NE2 3.08Å; L2248-Q2284 VanDerWaalsContact CA-OE1 3.22Å; N2252-Q2284 WeakPolarHBondContact ND2-CB 3.3Å; N2252-Q2284 PolarHBondContact ND2-N 2.92Å; N2252-Q2284 PolarHBondContact ND2-OE1 3.06Å; G2280-Q2284 WeakPolarHBondContact O-CB 3.45Å; G2280-Q2284 PolarHBondContact O-N 3.09Å; K2281-Q2284 PolarHBondContact O-N 3.01Å; M2282-Q2284 PolarHBondContact O-N 3.15Å; Q2284-A2287 PolarHBondContact O-N 3.08Å; Q2284-N2288 PolarHBondContact NE2-OD1 2.99Å; Q2284-N2288 VanDerWaalsContact O-CB 3.29Å; Q2284-N2288 WeakPolarHBondContact O-CB 3.34Å; Q2284-N2288 PolarHBondContact O-N 3.03Å; Q2284-N2288 PolarHBondContact O-ND2 3.06Å; Q2284-N2288 PolarHBondContact O-OD1 3.11Å |
| 2285 | N | 91.4 | Very high | 89.7 | Confident | 26.6 Ų | 26.6 | 35.9 Ų | 35.9 | 14% | 0.142 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.5 | -35.9 | 177.7 | -86.1 | 5 | 0 | 0 | 0 | 113 | K2281 M2282 M2283 A2287 N2288 Q2289 L2290 F2292 L2305 | K2281-N2285 PolarHBondContact O-N 3.12Å; M2282-N2285 PolarHBondContact O-N 3.13Å; M2282-N2285 VanDerWaalsContact O-N 3.13Å; M2283-N2285 VanDerWaalsContact C-N 3.33Å; M2283-N2285 PolarHBondContact O-N 3.06Å; N2285-A2287 VanDerWaalsContact C-N 3.34Å; N2285-N2288 PolarHBondContact O-N 2.96Å; N2285-Q2289 PolarHBondContact O-N 3.13Å; N2285-L2290 WeakPolarHBondContact CB-O 3.32Å; N2285-L2290 PolarHBondContact O-N 3.18Å; N2285-L2290 VanDerWaalsContact O-N 3.08Å; N2285-F2292 HydrophobicContact CB-CZ 4.47Å; N2285-F2292 VanDerWaalsContact ND2-CD1 3.33Å; N2285-F2292 WeakPolarHBondContact ND2-CD1 3.4Å; N2285-F2292 WeakPolarHBondContact ND2-CE1 3.34Å; N2285-F2292 WeakPolarHBondContact ND2-CG 3.42Å; N2285-F2292 VanDerWaalsContact ND2-CZ 3.32Å; N2285-F2292 WeakPolarHBondContact ND2-CZ 3.32Å; N2285-L2305 HydrophobicContact CB-CD1 3.91Å; N2285-L2305 HydrophobicContact CB-CD2 4.32Å |
| 2286 | I | 92.2 | Very high | 89.4 | Confident | 1.4 Ų | 1.4 | 40 Ų | 40 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.7 | -48.6 | 168.6 | -65.4 | 167.1 | 0 | 0 | 0 | 110.2 | Y2200 M2282 M2283 N2288 Q2289 L2305 H2308 C2312 | Y2200-I2286 HydrophobicContact CD2-CD1 4.31Å; Y2200-I2286 HydrophobicContact CE2-CD1 4.33Å; Y2200-I2286 HydrophobicContact CE2-CG2 3.95Å; M2282-I2286 WeakPolarHBondContact O-CG1 3.33Å; M2282-I2286 PolarHBondContact O-N 3Å; M2283-I2286 PolarHBondContact O-N 3Å; I2286-N2288 VanDerWaalsContact C-N 3.33Å; I2286-N2288 PolarHBondContact O-N 3.09Å; I2286-Q2289 PolarHBondContact O-N 3.07Å; I2286-Q2289 VanDerWaalsContact O-N 3.12Å; I2286-Q2289 PolarHBondContact O-NE2 3.25Å; I2286-L2305 HydrophobicContact CD1-CD2 4.25Å; I2286-L2305 HydrophobicContact CG1-CB 4.41Å; I2286-L2305 HydrophobicContact CG1-CD2 3.72Å; I2286-H2308 HydrophobicContact CD1-CB 3.92Å; I2286-H2308 HydrophobicContact CG1-CB 4.25Å; I2286-H2308 HydrophobicContact CG2-CB 4.01Å; I2286-C2312 HydrophobicContact CG2-CB 3.85Å |
| 2287 | A | 89.5 | Confident | 89 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.9 | -35.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S2243 T2244 F2247 M2283 Q2284 N2285 Q2289 | S2243-A2287 PolarHBondContact OG-O 3.2Å; T2244-A2287 PolarHBondContact OG1-O 3.02Å; F2247-A2287 HydrophobicContact CB-CB 3.58Å; F2247-A2287 HydrophobicContact CD1-CB 3.89Å; F2247-A2287 HydrophobicContact CD2-CB 3.72Å; F2247-A2287 HydrophobicContact CE1-CB 4.46Å; F2247-A2287 HydrophobicContact CE2-CB 4.38Å; F2247-A2287 HydrophobicContact CG-CB 3.44Å; F2247-A2287 VanDerWaalsContact CG-CB 3.44Å; M2283-A2287 WeakPolarHBondContact O-CB 3.28Å; M2283-A2287 PolarHBondContact O-N 2.98Å; Q2284-A2287 PolarHBondContact O-N 3.08Å; N2285-A2287 VanDerWaalsContact C-N 3.34Å; A2287-Q2289 VanDerWaalsContact C-N 3.31Å; A2287-Q2289 PolarHBondContact O-N 3.3Å |
| 2288 | N | 88.1 | Confident | 88.8 | Confident | 36.8 Ų | 36.8 | 38.5 Ų | 38.5 | 20% | 0.197 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -75 | -14.9 | 175.4 | -66.6 | -11.3 | 0 | 0 | 0 | 113.2 | T2244 Q2284 N2285 I2286 L2290 | T2244-N2288 WeakPolarHBondContact CG2-OD1 3.44Å; T2244-N2288 PolarHBondContact OG1-OD1 3.08Å; Q2284-N2288 PolarHBondContact NE2-OD1 2.99Å; Q2284-N2288 VanDerWaalsContact O-CB 3.29Å; Q2284-N2288 WeakPolarHBondContact O-CB 3.34Å; Q2284-N2288 PolarHBondContact O-N 3.03Å; Q2284-N2288 PolarHBondContact O-ND2 3.06Å; Q2284-N2288 PolarHBondContact O-OD1 3.11Å; N2285-N2288 PolarHBondContact O-N 2.96Å; I2286-N2288 VanDerWaalsContact C-N 3.33Å; I2286-N2288 PolarHBondContact O-N 3.09Å; N2288-L2290 VanDerWaalsContact C-N 3.31Å; N2288-L2290 HydrophobicContact CB-CB 4.15Å; N2288-L2290 HydrophobicContact CB-CD1 4.02Å; N2288-L2290 HydrophobicContact CB-CG 4.02Å; N2288-L2290 PolarHBondContact O-N 3.13Å |
| 2289 | Q | 88.4 | Confident | 88.6 | Confident | 33 Ų | 33 | 44.9 Ų | 44.9 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 38.3 | -169.9 | -51.4 | -72.4 | -33.8 | 0 | 0 | 112.8 | N2240 N2285 I2286 A2287 F2309 | N2240-Q2289 HydrophobicContact CB-CG 4.37Å; N2240-Q2289 WeakPolarHBondContact OD1-CG 3.35Å; N2285-Q2289 PolarHBondContact O-N 3.13Å; I2286-Q2289 PolarHBondContact O-N 3.07Å; I2286-Q2289 VanDerWaalsContact O-N 3.12Å; I2286-Q2289 PolarHBondContact O-NE2 3.25Å; A2287-Q2289 VanDerWaalsContact C-N 3.31Å; A2287-Q2289 PolarHBondContact O-N 3.3Å; Q2289-F2309 PolarHBondContact NE2-O 3.19Å; Q2289-F2309 VanDerWaalsContact OE1-CG 3.22Å; Q2289-F2309 PolarHBondContact OE1-O 3.15Å |
| 2290 | L | 89.2 | Confident | 88.3 | Confident | 96.2 Ų | 96.2 | 49.2 Ų | 49.2 | 50% | 0.504 | 24% | 0.244 | S | C | . | . | trans | -124.5 | 151.7 | -175.1 | -69.2 | 178 | 0 | 0 | 0 | 112.6 | N2285 N2288 | N2285-L2290 WeakPolarHBondContact CB-O 3.32Å; N2285-L2290 PolarHBondContact O-N 3.18Å; N2285-L2290 VanDerWaalsContact O-N 3.08Å; N2288-L2290 VanDerWaalsContact C-N 3.31Å; N2288-L2290 HydrophobicContact CB-CB 4.15Å; N2288-L2290 HydrophobicContact CB-CD1 4.02Å; N2288-L2290 HydrophobicContact CB-CG 4.02Å; N2288-L2290 PolarHBondContact O-N 3.13Å | ||
| 2291 | L | 89.1 | Confident | 88.2 | Confident | 63.2 Ų | 63.2 | 48.9 Ų | 48.9 | 33% | 0.331 | 24% | 0.242 | S | C | . | . | trans | -100.7 | 161.3 | 177 | -54.6 | 179 | 0 | 0 | 0 | 111.5 | T2293 D2302 L2305 Q2306 F2309 | L2291-T2293 PolarHBondContact O-N 2.96Å; L2291-D2302 WeakPolarHBondContact CA-OD1 3.32Å; L2291-D2302 HydrophobicContact CB-CB 4.49Å; L2291-D2302 HydrophobicContact CD2-CB 4.09Å; L2291-L2305 HydrophobicContact CD2-CB 4.38Å; L2291-L2305 HydrophobicContact CD2-CD1 4.4Å; L2291-Q2306 VanDerWaalsContact CD1-NE2 3.25Å; L2291-Q2306 HydrophobicContact CD2-CG 3.71Å; L2291-F2309 HydrophobicContact CD2-CE2 4.03Å; L2291-F2309 HydrophobicContact CD2-CZ 3.65Å; L2291-F2309 HydrophobicContact CG-CZ 4.44Å | ||
| 2292 | F | 87.9 | Confident | 88.1 | Confident | 12.4 Ų | 12.4 | 47.2 Ų | 47.2 | 5% | 0.054 | 24% | 0.235 | C | C | . | . | trans | -73.7 | 95.4 | -177.2 | -77.7 | -76.9 | 0 | 0 | 0 | 112.9 | K2281 M2282 N2285 M2298 R2299 D2302 L2305 | K2281-F2292 HydrophobicContact CB-CE1 4.45Å; K2281-F2292 HydrophobicContact CB-CZ 4.36Å; M2282-F2292 HydrophobicContact CG-CE2 4.07Å; M2282-F2292 HydrophobicContact CG-CZ 4.05Å; N2285-F2292 HydrophobicContact CB-CZ 4.47Å; N2285-F2292 VanDerWaalsContact ND2-CD1 3.33Å; N2285-F2292 WeakPolarHBondContact ND2-CD1 3.4Å; N2285-F2292 WeakPolarHBondContact ND2-CE1 3.34Å; N2285-F2292 WeakPolarHBondContact ND2-CG 3.42Å; N2285-F2292 VanDerWaalsContact ND2-CZ 3.32Å; N2285-F2292 WeakPolarHBondContact ND2-CZ 3.32Å; F2292-M2298 HydrophobicContact CB-CB 3.88Å; F2292-M2298 HydrophobicContact CD1-CB 3.4Å; F2292-M2298 HydrophobicContact CD1-CG 3.93Å; F2292-M2298 HydrophobicContact CD2-CB 3.61Å; F2292-M2298 WeakPolarHBondContact CD2-O 3.38Å; F2292-M2298 HydrophobicContact CE1-CB 3.71Å; F2292-M2298 HydrophobicContact CE1-CE 4.06Å; F2292-M2298 HydrophobicContact CE1-CG 3.84Å; F2292-M2298 HydrophobicContact CE2-CB 3.89Å; F2292-M2298 HydrophobicContact CE2-CE 3.93Å; F2292-M2298 HydrophobicContact CG-CB 3.35Å; F2292-M2298 VanDerWaalsContact CG-CB 3.48Å; F2292-M2298 HydrophobicContact CG-CG 4.36Å; F2292-M2298 HydrophobicContact CZ-CB 3.95Å; F2292-M2298 HydrophobicContact CZ-CE 3.52Å; F2292-M2298 VanDerWaalsContact CZ-CE 3.47Å; F2292-M2298 HydrophobicContact CZ-CG 4.19Å; F2292-R2299 HydrophobicContact CB-CG 4.19Å; F2292-R2299 VanDerWaalsContact O-CG 3.28Å; F2292-R2299 WeakPolarHBondContact O-CG 3.31Å; F2292-R2299 PolarHBondContact O-NE 3.14Å; F2292-D2302 PolarHBondContact N-OD1 3.09Å; F2292-L2305 HydrophobicContact CD2-CD1 3.65Å; F2292-L2305 HydrophobicContact CE2-CD1 3.69Å; F2292-L2305 HydrophobicContact CE2-CD2 4.37Å; F2292-L2305 HydrophobicContact CE2-CG 4.42Å | ||
| 2293 | T | 85 | Confident | 87.9 | Confident | 95.2 Ų | 95.2 | 51.1 Ų | 51.1 | 58% | 0.584 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -87.1 | -43.4 | 178.3 | 51.4 | 0 | 0 | 0 | 0 | 112.7 | I1680 L2291 R2299 | I1680-T2293 HydrophobicContact CD1-CG2 4.03Å; I1680-T2293 VanDerWaalsContact CG2-CB 3.48Å; I1680-T2293 WeakPolarHBondContact CG2-O 3.29Å; L2291-T2293 PolarHBondContact O-N 2.96Å; T2293-R2299 PolarHBondContact O-NH2 2.97Å |
| 2294 | K | 83.6 | Confident | 87.7 | Confident | 174.2 Ų | 174.2 | 52.1 Ų | 52.1 | 76% | 0.757 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -82.2 | -36.6 | -171.3 | -62.9 | -177.5 | 178.3 | -174.5 | 0 | 114.7 | I1680 A1681 H1682 P2296 | I1680-K2294 HydrophobicContact CB-CG 4.33Å; I1680-K2294 HydrophobicContact CG2-CB 4.25Å; I1680-K2294 HydrophobicContact CG2-CG 3.68Å; I1680-K2294 VanDerWaalsContact CG2-N 3.32Å; A1681-K2294 WeakPolarHBondContact O-CD 3.46Å; A1681-K2294 WeakPolarHBondContact O-CE 3.48Å; A1681-K2294 PolarHBondContact O-NZ 2.91Å; H1682-K2294 PolarHBondContact CD2-O 2.87Å; H1682-K2294 VanDerWaalsContact CD2-O 3.31Å; H1682-K2294 PolarHBondContact NE2-O 2.86Å; K2294-P2296 WeakPolarHBondContact O-CD 3.39Å |
| 2295 | E | 83.7 | Confident | 87.6 | Confident | 54.6 Ų | 54.6 | 51 Ų | 51 | 26% | 0.255 | 26% | 0.263 | S | S | . | . | trans | -107.8 | 97.6 | -172.2 | -66.3 | -177.1 | 138.6 | 0 | 0 | 109.3 | H1682 K2281 H2297 M2298 | H1682-E2295 VanDerWaalsContact CE1-CG 3.46Å; H1682-E2295 WeakPolarHBondContact CE1-CG 3.42Å; K2281-E2295 IonicContact NZ-OE1 3.34Å; K2281-E2295 PolarHBondContact NZ-OE1 2.97Å; K2281-E2295 IonicContact NZ-OE2 3.22Å; K2281-E2295 PolarHBondContact NZ-OE2 3.08Å; E2295-H2297 VanDerWaalsContact C-N 3.28Å; E2295-H2297 PolarHBondContact O-N 3.25Å; E2295-M2298 HydrophobicContact CB-CB 4.23Å; E2295-M2298 HydrophobicContact CB-CG 3.88Å; E2295-M2298 WeakPolarHBondContact O-CB 3.41Å; E2295-M2298 PolarHBondContact O-N 3.07Å; E2295-M2298 VanDerWaalsContact O-N 3.13Å | ||
| 2296 | P | 83 | Confident | 87.6 | Confident | 88.2 Ų | 88.2 | 54.9 Ų | 54.9 | 57% | 0.573 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -64.2 | -31.2 | -169.4 | 15.1 | -21.5 | 0 | 0 | 0 | 112.9 | K2294 M2298 R2299 | K2294-P2296 WeakPolarHBondContact O-CD 3.39Å; P2296-M2298 PolarHBondContact O-N 3.11Å; P2296-R2299 WeakPolarHBondContact O-CB 3.34Å; P2296-R2299 PolarHBondContact O-N 2.98Å |
| 2297 | H | 84.5 | Confident | 87.5 | Confident | 33 Ų | 33 | 61.3 Ų | 61.3 | 15% | 0.153 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -67 | -19.3 | 175.8 | 57 | -114.9 | 0 | 0 | 0 | 113.6 | V2174 D2175 E2295 | V2174-H2297 WeakPolarHBondContact O-CB 3.28Å; D2175-H2297 VanDerWaalsContact CG-CE1 3.45Å; D2175-H2297 VanDerWaalsContact CG-ND1 3.3Å; D2175-H2297 IonicContact OD1-ND1 3.22Å; D2175-H2297 IonicContact OD2-CE1 3.45Å; D2175-H2297 PolarHBondContact OD2-CE1 3.02Å; D2175-H2297 IonicContact OD2-ND1 2.97Å; D2175-H2297 PolarHBondContact OD2-ND1 3.18Å; D2175-H2297 VanDerWaalsContact OD2-ND1 3.14Å; E2295-H2297 VanDerWaalsContact C-N 3.28Å; E2295-H2297 PolarHBondContact O-N 3.25Å |
| 2298 | M | 86.3 | Confident | 87.7 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -87.8 | -13.4 | 177 | -63.5 | -59.3 | -70.3 | 0 | 0 | 113.6 | V2174 L2278 M2282 F2292 E2295 P2296 I2300 F2301 | V2174-M2298 HydrophobicContact CG2-SD 3.8Å; L2278-M2298 HydrophobicContact CD2-CE 4.38Å; L2278-M2298 HydrophobicContact CD2-SD 4.03Å; M2282-M2298 HydrophobicContact CG-CE 3.69Å; M2282-M2298 HydrophobicContact SD-CE 4.07Å; F2292-M2298 HydrophobicContact CB-CB 3.88Å; F2292-M2298 HydrophobicContact CD1-CB 3.4Å; F2292-M2298 HydrophobicContact CD1-CG 3.93Å; F2292-M2298 HydrophobicContact CD2-CB 3.61Å; F2292-M2298 WeakPolarHBondContact CD2-O 3.38Å; F2292-M2298 HydrophobicContact CE1-CB 3.71Å; F2292-M2298 HydrophobicContact CE1-CE 4.06Å; F2292-M2298 HydrophobicContact CE1-CG 3.84Å; F2292-M2298 HydrophobicContact CE2-CB 3.89Å; F2292-M2298 HydrophobicContact CE2-CE 3.93Å; F2292-M2298 HydrophobicContact CG-CB 3.35Å; F2292-M2298 VanDerWaalsContact CG-CB 3.48Å; F2292-M2298 HydrophobicContact CG-CG 4.36Å; F2292-M2298 HydrophobicContact CZ-CB 3.95Å; F2292-M2298 HydrophobicContact CZ-CE 3.52Å; F2292-M2298 VanDerWaalsContact CZ-CE 3.47Å; F2292-M2298 HydrophobicContact CZ-CG 4.19Å; E2295-M2298 HydrophobicContact CB-CB 4.23Å; E2295-M2298 HydrophobicContact CB-CG 3.88Å; E2295-M2298 WeakPolarHBondContact O-CB 3.41Å; E2295-M2298 PolarHBondContact O-N 3.07Å; E2295-M2298 VanDerWaalsContact O-N 3.13Å; P2296-M2298 PolarHBondContact O-N 3.11Å; M2298-I2300 PolarHBondContact O-N 3.18Å; M2298-I2300 VanDerWaalsContact O-N 3.16Å; M2298-F2301 HydrophobicContact CB-CD2 4.41Å; M2298-F2301 HydrophobicContact CE-CD2 3.79Å; M2298-F2301 HydrophobicContact CE-CE2 3.99Å; M2298-F2301 WeakPolarHBondContact O-CB 3.36Å; M2298-F2301 VanDerWaalsContact O-CD2 3.26Å; M2298-F2301 WeakPolarHBondContact O-CD2 3.26Å; M2298-F2301 PolarHBondContact O-N 3.17Å; M2298-F2301 VanDerWaalsContact O-N 3.08Å; M2298-F2301 HydrophobicContact SD-CD2 4.14Å; M2298-F2301 HydrophobicContact SD-CE2 3.92Å |
| 2299 | R | 86.8 | Confident | 87.8 | Confident | 134.6 Ų | 134.6 | 61.8 Ų | 61.8 | 51% | 0.508 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -62.5 | -24.7 | -176.1 | -72.6 | -172.3 | -176.1 | 177.3 | 5.4 | 114.2 | F2292 T2293 P2296 F2301 D2302 | F2292-R2299 HydrophobicContact CB-CG 4.19Å; F2292-R2299 VanDerWaalsContact O-CG 3.28Å; F2292-R2299 WeakPolarHBondContact O-CG 3.31Å; F2292-R2299 PolarHBondContact O-NE 3.14Å; T2293-R2299 PolarHBondContact O-NH2 2.97Å; P2296-R2299 WeakPolarHBondContact O-CB 3.34Å; P2296-R2299 PolarHBondContact O-N 2.98Å; R2299-F2301 PolarHBondContact O-N 3.18Å; R2299-F2301 VanDerWaalsContact O-N 3.12Å; R2299-D2302 WeakPolarHBondContact CA-OD2 3.36Å; R2299-D2302 VanDerWaalsContact O-CB 3.3Å; R2299-D2302 WeakPolarHBondContact O-CB 3.34Å; R2299-D2302 VanDerWaalsContact O-CG 3.32Å; R2299-D2302 PolarHBondContact O-N 3.01Å |
| 2300 | I | 85.9 | Confident | 87.9 | Confident | 91.6 Ų | 91.6 | 64.4 Ų | 64.4 | 47% | 0.47 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -60.3 | -21.8 | 175.8 | -165.7 | 153.5 | 0 | 0 | 0 | 112.6 | Q2189 M2298 | Q2189-I2300 HydrophobicContact CG-CG2 4.4Å; M2298-I2300 PolarHBondContact O-N 3.18Å; M2298-I2300 VanDerWaalsContact O-N 3.16Å |
| 2301 | F | 89.6 | Confident | 88 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -88.8 | -5.2 | 176.8 | -50.4 | -60.2 | 0 | 0 | 0 | 114.1 | V2174 Q2189 L2192 I2193 M2282 M2298 R2299 S2303 V2304 L2305 | V2174-F2301 HydrophobicContact CB-CE2 4.49Å; V2174-F2301 HydrophobicContact CB-CZ 4.48Å; V2174-F2301 HydrophobicContact CG1-CE2 4.45Å; V2174-F2301 HydrophobicContact CG1-CZ 4.06Å; V2174-F2301 HydrophobicContact CG2-CE2 4.39Å; Q2189-F2301 HydrophobicContact CB-CE1 4.13Å; Q2189-F2301 HydrophobicContact CB-CZ 4.2Å; Q2189-F2301 HydrophobicContact CG-CE1 4.3Å; Q2189-F2301 HydrophobicContact CG-CZ 3.93Å; L2192-F2301 HydrophobicContact CD2-CE1 4.42Å; L2192-F2301 HydrophobicContact CD2-CE2 3.96Å; L2192-F2301 HydrophobicContact CD2-CZ 3.77Å; I2193-F2301 HydrophobicContact CD1-CD1 3.93Å; I2193-F2301 HydrophobicContact CD1-CE1 3.9Å; I2193-F2301 HydrophobicContact CG1-CD1 3.65Å; I2193-F2301 HydrophobicContact CG1-CE1 3.68Å; M2282-F2301 HydrophobicContact CE-CB 3.72Å; M2282-F2301 HydrophobicContact CE-CD1 4.01Å; M2282-F2301 HydrophobicContact CE-CD2 4.35Å; M2282-F2301 HydrophobicContact CE-CG 3.76Å; M2282-F2301 HydrophobicContact SD-CB 4.44Å; M2282-F2301 HydrophobicContact SD-CD1 4.45Å; M2282-F2301 HydrophobicContact SD-CD2 4.12Å; M2282-F2301 HydrophobicContact SD-CE2 4.48Å; M2282-F2301 HydrophobicContact SD-CG 4.13Å; M2298-F2301 HydrophobicContact CB-CD2 4.41Å; M2298-F2301 HydrophobicContact CE-CD2 3.79Å; M2298-F2301 HydrophobicContact CE-CE2 3.99Å; M2298-F2301 WeakPolarHBondContact O-CB 3.36Å; M2298-F2301 VanDerWaalsContact O-CD2 3.26Å; M2298-F2301 WeakPolarHBondContact O-CD2 3.26Å; M2298-F2301 PolarHBondContact O-N 3.17Å; M2298-F2301 VanDerWaalsContact O-N 3.08Å; M2298-F2301 HydrophobicContact SD-CD2 4.14Å; M2298-F2301 HydrophobicContact SD-CE2 3.92Å; R2299-F2301 PolarHBondContact O-N 3.18Å; R2299-F2301 VanDerWaalsContact O-N 3.12Å; F2301-S2303 PolarHBondContact O-N 3.22Å; F2301-V2304 CarbonylContact O-C 3.54Å; F2301-V2304 WeakPolarHBondContact O-CA 3.32Å; F2301-V2304 WeakPolarHBondContact O-CB 3.4Å; F2301-V2304 PolarHBondContact O-N 3.27Å; F2301-L2305 WeakPolarHBondContact O-CG 3.39Å; F2301-L2305 PolarHBondContact O-N 3.23Å |
| 2302 | D | 89.6 | Confident | 88.1 | Confident | 25.4 Ų | 25.4 | 58.4 Ų | 58.4 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.3 | -33.1 | -175.1 | -76 | -26 | 0 | 0 | 0 | 112.6 | L2291 F2292 R2299 V2304 L2305 Q2306 | L2291-D2302 WeakPolarHBondContact CA-OD1 3.32Å; L2291-D2302 HydrophobicContact CB-CB 4.49Å; L2291-D2302 HydrophobicContact CD2-CB 4.09Å; F2292-D2302 PolarHBondContact N-OD1 3.09Å; R2299-D2302 WeakPolarHBondContact CA-OD2 3.36Å; R2299-D2302 VanDerWaalsContact O-CB 3.3Å; R2299-D2302 WeakPolarHBondContact O-CB 3.34Å; R2299-D2302 VanDerWaalsContact O-CG 3.32Å; R2299-D2302 PolarHBondContact O-N 3.01Å; D2302-V2304 VanDerWaalsContact C-N 3.33Å; D2302-V2304 PolarHBondContact O-N 3.33Å; D2302-L2305 PolarHBondContact O-N 3.13Å; D2302-Q2306 VanDerWaalsContact O-CG 3.31Å; D2302-Q2306 WeakPolarHBondContact O-CG 3.32Å; D2302-Q2306 PolarHBondContact O-N 2.97Å; D2302-Q2306 VanDerWaalsContact O-N 3.08Å |
| 2303 | S | 88.7 | Confident | 88.2 | Confident | 82.2 Ų | 82.2 | 60.2 Ų | 60.2 | 58% | 0.575 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64.6 | -38 | 172.4 | 56.3 | 0 | 0 | 0 | 0 | 112.8 | F2301 K2307 | F2301-S2303 PolarHBondContact O-N 3.22Å; S2303-K2307 PolarHBondContact O-N 3.01Å |
| 2304 | V | 87.7 | Confident | 88.4 | Confident | 21.2 Ų | 21.2 | 61 Ų | 61 | 13% | 0.128 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71.2 | -38 | 175.7 | -175 | 0 | 0 | 0 | 0 | 110.5 | I2193 F2301 D2302 H2308 | I2193-V2304 HydrophobicContact CD1-CG2 4.37Å; I2193-V2304 HydrophobicContact CG1-CG2 4.38Å; I2193-V2304 HydrophobicContact CG2-CG2 4.47Å; F2301-V2304 CarbonylContact O-C 3.54Å; F2301-V2304 WeakPolarHBondContact O-CA 3.32Å; F2301-V2304 WeakPolarHBondContact O-CB 3.4Å; F2301-V2304 PolarHBondContact O-N 3.27Å; D2302-V2304 VanDerWaalsContact C-N 3.33Å; D2302-V2304 PolarHBondContact O-N 3.33Å; V2304-H2308 PolarHBondContact O-CD2 2.95Å |
| 2305 | L | 90.6 | Very high | 88.8 | Confident | 0.8 Ų | 0.8 | 53 Ų | 53 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.4 | -51.4 | 175 | -59.6 | -178.2 | 0 | 0 | 0 | 111.4 | M2282 N2285 I2286 L2291 F2292 F2301 D2302 K2307 H2308 F2309 | M2282-L2305 HydrophobicContact CB-CD2 4.15Å; M2282-L2305 HydrophobicContact CE-CD2 4.34Å; M2282-L2305 HydrophobicContact CG-CD2 4.43Å; M2282-L2305 WeakPolarHBondContact O-CD2 3.41Å; N2285-L2305 HydrophobicContact CB-CD1 3.91Å; N2285-L2305 HydrophobicContact CB-CD2 4.32Å; I2286-L2305 HydrophobicContact CD1-CD2 4.25Å; I2286-L2305 HydrophobicContact CG1-CB 4.41Å; I2286-L2305 HydrophobicContact CG1-CD2 3.72Å; L2291-L2305 HydrophobicContact CD2-CB 4.38Å; L2291-L2305 HydrophobicContact CD2-CD1 4.4Å; F2292-L2305 HydrophobicContact CD2-CD1 3.65Å; F2292-L2305 HydrophobicContact CE2-CD1 3.69Å; F2292-L2305 HydrophobicContact CE2-CD2 4.37Å; F2292-L2305 HydrophobicContact CE2-CG 4.42Å; F2301-L2305 WeakPolarHBondContact O-CG 3.39Å; F2301-L2305 PolarHBondContact O-N 3.23Å; D2302-L2305 PolarHBondContact O-N 3.13Å; L2305-K2307 VanDerWaalsContact C-N 3.27Å; L2305-K2307 PolarHBondContact O-N 3.13Å; L2305-H2308 PolarHBondContact O-N 3.09Å; L2305-F2309 HydrophobicContact CB-CE1 3.91Å; L2305-F2309 HydrophobicContact CB-CZ 4.3Å; L2305-F2309 WeakPolarHBondContact O-CD1 3.27Å; L2305-F2309 WeakPolarHBondContact O-CE1 3.44Å; L2305-F2309 PolarHBondContact O-N 3.06Å |
| 2306 | Q | 89.9 | Confident | 89.1 | Confident | 108.2 Ų | 108.2 | 50.4 Ų | 50.4 | 51% | 0.506 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -57.8 | -38.4 | -177.1 | -73 | 176.5 | 21.6 | 0 | 0 | 112.9 | L2291 D2302 H2308 F2309 | L2291-Q2306 VanDerWaalsContact CD1-NE2 3.25Å; L2291-Q2306 HydrophobicContact CD2-CG 3.71Å; D2302-Q2306 VanDerWaalsContact O-CG 3.31Å; D2302-Q2306 WeakPolarHBondContact O-CG 3.32Å; D2302-Q2306 PolarHBondContact O-N 2.97Å; D2302-Q2306 VanDerWaalsContact O-N 3.08Å; Q2306-H2308 PolarHBondContact O-N 3.11Å; Q2306-F2309 HydrophobicContact CB-CD2 4.48Å; Q2306-F2309 HydrophobicContact CG-CD2 4.37Å; Q2306-F2309 HydrophobicContact CG-CE2 4.01Å; Q2306-F2309 HydrophobicContact CG-CZ 4.48Å; Q2306-F2309 WeakPolarHBondContact O-CB 3.45Å; Q2306-F2309 PolarHBondContact O-N 2.92Å |
| 2307 | K | 91.3 | Very high | 89.4 | Confident | 136.8 Ų | 136.8 | 50.9 Ų | 50.9 | 60% | 0.595 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -57 | -31.7 | 175.9 | -178.8 | -173 | 172.8 | -164.6 | 0 | 113.1 | E2197 S2303 L2305 | E2197-K2307 IonicContact OE1-NZ 3.43Å; E2197-K2307 PolarHBondContact OE1-NZ 3.21Å; E2197-K2307 IonicContact OE2-NZ 3.27Å; S2303-K2307 PolarHBondContact O-N 3.01Å; L2305-K2307 VanDerWaalsContact C-N 3.27Å; L2305-K2307 PolarHBondContact O-N 3.13Å |
| 2308 | H | 91.9 | Very high | 89.7 | Confident | 14.2 Ų | 14.2 | 51 Ų | 51 | 7% | 0.066 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -99.8 | -9.2 | -174.2 | -67.5 | -51.6 | 0 | 0 | 0 | 114.2 | E2197 Y2200 I2286 V2304 L2305 Q2306 E2310 S2311 C2312 | E2197-H2308 IonicContact OE1-CD2 3.62Å; E2197-H2308 IonicContact OE1-CE1 3.21Å; E2197-H2308 PolarHBondContact OE1-CE1 2.93Å; E2197-H2308 VanDerWaalsContact OE1-CE1 3.29Å; E2197-H2308 IonicContact OE1-NE2 3.16Å; E2197-H2308 PolarHBondContact OE1-NE2 2.97Å; E2197-H2308 IonicContact OE2-CE1 3.6Å; E2197-H2308 IonicContact OE2-NE2 3.54Å; Y2200-H2308 HydrophobicContact CD1-CB 4.38Å; Y2200-H2308 AromaticContact CD1-CE1 3.88Å; Y2200-H2308 AromaticContact CD1-CG 3.84Å; Y2200-H2308 AromaticContact CD1-ND1 3.6Å; Y2200-H2308 HydrophobicContact CE1-CB 3.67Å; Y2200-H2308 AromaticContact CE1-CE1 3.95Å; Y2200-H2308 AromaticContact CE1-CG 3.48Å; Y2200-H2308 VanDerWaalsContact CE1-CG 3.44Å; Y2200-H2308 AromaticContact CE1-ND1 3.24Å; Y2200-H2308 VanDerWaalsContact CE1-ND1 3.27Å; Y2200-H2308 WeakPolarHBondContact CE1-ND1 3.27Å; Y2200-H2308 HydrophobicContact CE2-CB 4.43Å; Y2200-H2308 PolarHBondContact OH-O 3.16Å; Y2200-H2308 VanDerWaalsContact OH-O 3.07Å; I2286-H2308 HydrophobicContact CD1-CB 3.92Å; I2286-H2308 HydrophobicContact CG1-CB 4.25Å; I2286-H2308 HydrophobicContact CG2-CB 4.01Å; V2304-H2308 PolarHBondContact O-CD2 2.95Å; L2305-H2308 PolarHBondContact O-N 3.09Å; Q2306-H2308 PolarHBondContact O-N 3.11Å; H2308-E2310 VanDerWaalsContact C-N 3.32Å; H2308-E2310 PolarHBondContact O-N 2.97Å; H2308-S2311 WeakPolarHBondContact CA-OG 3.22Å; H2308-S2311 PolarHBondContact O-N 3.01Å; H2308-S2311 VanDerWaalsContact O-N 3.11Å; H2308-S2311 PolarHBondContact O-OG 2.94Å; H2308-S2311 VanDerWaalsContact O-OG 3.06Å; H2308-C2312 WeakPolarHBondContact O-CB 3.4Å; H2308-C2312 PolarHBondContact O-N 3.06Å; H2308-C2312 VanDerWaalsContact O-N 3.09Å |
| 2309 | F | 91.3 | Very high | 89.8 | Confident | 31.8 Ų | 31.8 | 51 Ų | 51 | 14% | 0.139 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -52.5 | -46.5 | 179.7 | -81.3 | 2.1 | 0 | 0 | 0 | 113.8 | Q2289 L2291 L2305 Q2306 C2312 R2313 | Q2289-F2309 PolarHBondContact NE2-O 3.19Å; Q2289-F2309 VanDerWaalsContact OE1-CG 3.22Å; Q2289-F2309 PolarHBondContact OE1-O 3.15Å; L2291-F2309 HydrophobicContact CD2-CE2 4.03Å; L2291-F2309 HydrophobicContact CD2-CZ 3.65Å; L2291-F2309 HydrophobicContact CG-CZ 4.44Å; L2305-F2309 HydrophobicContact CB-CE1 3.91Å; L2305-F2309 HydrophobicContact CB-CZ 4.3Å; L2305-F2309 WeakPolarHBondContact O-CD1 3.27Å; L2305-F2309 WeakPolarHBondContact O-CE1 3.44Å; L2305-F2309 PolarHBondContact O-N 3.06Å; Q2306-F2309 HydrophobicContact CB-CD2 4.48Å; Q2306-F2309 HydrophobicContact CG-CD2 4.37Å; Q2306-F2309 HydrophobicContact CG-CE2 4.01Å; Q2306-F2309 HydrophobicContact CG-CZ 4.48Å; Q2306-F2309 WeakPolarHBondContact O-CB 3.45Å; Q2306-F2309 PolarHBondContact O-N 2.92Å; F2309-C2312 WeakPolarHBondContact O-CB 3.48Å; F2309-R2313 PolarHBondContact O-N 3.39Å |
| 2310 | E | 89.4 | Confident | 89.8 | Confident | 89.2 Ų | 89.2 | 45.2 Ų | 45.2 | 42% | 0.417 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -76.7 | -40.3 | -178.7 | -178.2 | 53.6 | -149.7 | 0 | 0 | 112.7 | H2308 C2312 R2313 Q2314 | H2308-E2310 VanDerWaalsContact C-N 3.32Å; H2308-E2310 PolarHBondContact O-N 2.97Å; E2310-C2312 PolarHBondContact O-N 3.08Å; E2310-R2313 PolarHBondContact O-N 3.05Å; E2310-R2313 VanDerWaalsContact O-N 3.12Å; E2310-R2313 IonicContact OE2-CZ 3.01Å; E2310-R2313 VanDerWaalsContact OE2-CZ 3.25Å; E2310-R2313 IonicContact OE2-NE 2.77Å; E2310-R2313 PolarHBondContact OE2-NE 3.19Å; E2310-R2313 IonicContact OE2-NH2 2.72Å; E2310-R2313 PolarHBondContact OE2-NH2 3.16Å; E2310-Q2314 WeakPolarHBondContact O-CG 3.4Å; E2310-Q2314 PolarHBondContact O-N 2.93Å; E2310-Q2314 VanDerWaalsContact O-N 3.08Å; E2310-Q2314 WeakPolarHBondContact OE1-CG 3.34Å; E2310-Q2314 PolarHBondContact OE1-NE2 3.1Å |
| 2311 | S | 91.8 | Very high | 89.6 | Confident | 33 Ų | 33 | 46.9 Ų | 46.9 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.5 | -32.8 | 175.2 | 78.5 | 0 | 0 | 0 | 0 | 112.3 | Y2200 H2308 Q2314 F2315 | Y2200-S2311 WeakPolarHBondContact CE1-OG 3.29Å; Y2200-S2311 WeakPolarHBondContact OH-CB 3.27Å; Y2200-S2311 PolarHBondContact OH-OG 3.14Å; H2308-S2311 WeakPolarHBondContact CA-OG 3.22Å; H2308-S2311 PolarHBondContact O-N 3.01Å; H2308-S2311 VanDerWaalsContact O-N 3.11Å; H2308-S2311 PolarHBondContact O-OG 2.94Å; H2308-S2311 VanDerWaalsContact O-OG 3.06Å; S2311-Q2314 PolarHBondContact O-N 2.89Å; S2311-F2315 WeakPolarHBondContact O-CB 3.18Å; S2311-F2315 PolarHBondContact O-N 3.05Å; S2311-F2315 VanDerWaalsContact O-N 3.11Å |
| 2312 | C | 91.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.6 | -44.2 | 174.8 | -168.7 | 0 | 0 | 0 | 0 | 112 | Y2200 I2286 H2308 F2309 E2310 Q2314 F2315 F2316 | Y2200-C2312 WeakPolarHBondContact OH-CA 3.23Å; Y2200-C2312 WeakPolarHBondContact OH-CB 3.39Å; Y2200-C2312 PolarHBondContact OH-N 3.08Å; Y2200-C2312 VanDerWaalsContact OH-N 3.16Å; I2286-C2312 HydrophobicContact CG2-CB 3.85Å; H2308-C2312 WeakPolarHBondContact O-CB 3.4Å; H2308-C2312 PolarHBondContact O-N 3.06Å; H2308-C2312 VanDerWaalsContact O-N 3.09Å; F2309-C2312 WeakPolarHBondContact O-CB 3.48Å; E2310-C2312 PolarHBondContact O-N 3.08Å; C2312-Q2314 PolarHBondContact O-N 3.05Å; C2312-F2315 WeakPolarHBondContact O-CB 3.49Å; C2312-F2315 PolarHBondContact O-N 3.31Å; C2312-F2316 WeakPolarHBondContact O-CD2 3.34Å; C2312-F2316 PolarHBondContact O-N 3.27Å |
| 2313 | R | 89.3 | Confident | 86.2 | Confident | 49.6 Ų | 49.6 | 54 Ų | 54 | 19% | 0.187 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 174.7 | -83.5 | -173.4 | -70.1 | -82 | -1 | 111.7 | N2240 F2309 E2310 F2315 F2316 K2317 | N2240-R2313 WeakPolarHBondContact OD1-CG 3.48Å; F2309-R2313 PolarHBondContact O-N 3.39Å; E2310-R2313 PolarHBondContact O-N 3.05Å; E2310-R2313 VanDerWaalsContact O-N 3.12Å; E2310-R2313 IonicContact OE2-CZ 3.01Å; E2310-R2313 VanDerWaalsContact OE2-CZ 3.25Å; E2310-R2313 IonicContact OE2-NE 2.77Å; E2310-R2313 PolarHBondContact OE2-NE 3.19Å; E2310-R2313 IonicContact OE2-NH2 2.72Å; E2310-R2313 PolarHBondContact OE2-NH2 3.16Å; R2313-F2315 VanDerWaalsContact C-N 3.32Å; R2313-F2315 PolarHBondContact O-N 3.24Å; R2313-F2316 PolarHBondContact O-N 3.27Å; R2313-K2317 WeakPolarHBondContact O-CB 3.41Å; R2313-K2317 PolarHBondContact O-N 3.03Å |
| 2314 | Q | 89.7 | Confident | 83.9 | Confident | 113.2 Ų | 113.2 | 54.2 Ų | 54.2 | 53% | 0.529 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.7 | -37.9 | -178.5 | -67.5 | 177.6 | 9 | 0 | 0 | 112.4 | E2310 S2311 C2312 K2317 A2318 | E2310-Q2314 WeakPolarHBondContact O-CG 3.4Å; E2310-Q2314 PolarHBondContact O-N 2.93Å; E2310-Q2314 VanDerWaalsContact O-N 3.08Å; E2310-Q2314 WeakPolarHBondContact OE1-CG 3.34Å; E2310-Q2314 PolarHBondContact OE1-NE2 3.1Å; S2311-Q2314 PolarHBondContact O-N 2.89Å; C2312-Q2314 PolarHBondContact O-N 3.05Å; Q2314-K2317 PolarHBondContact O-N 3.17Å; Q2314-A2318 PolarHBondContact O-N 3Å |
| 2315 | F | 91.3 | Very high | 81.4 | Confident | 5.8 Ų | 5.8 | 62.5 Ų | 62.5 | 3% | 0.025 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.4 | -49.4 | 173.5 | 174.6 | -98.2 | 0 | 0 | 0 | 112.7 | L2203 I2204 V2207 S2311 C2312 R2313 A2318 I2319 | L2203-F2315 HydrophobicContact CD1-CZ 4.45Å; L2203-F2315 HydrophobicContact CD2-CE1 4.15Å; L2203-F2315 HydrophobicContact CD2-CZ 4.16Å; L2203-F2315 HydrophobicContact CG-CZ 4.45Å; L2203-F2315 VanDerWaalsContact O-CE2 3.27Å; L2203-F2315 WeakPolarHBondContact O-CE2 3.34Å; I2204-F2315 HydrophobicContact CB-CD2 4.49Å; I2204-F2315 HydrophobicContact CD1-CB 3.63Å; I2204-F2315 HydrophobicContact CD1-CD1 4.3Å; I2204-F2315 HydrophobicContact CD1-CD2 3.98Å; I2204-F2315 HydrophobicContact CD1-CG 3.73Å; I2204-F2315 HydrophobicContact CG2-CB 4.47Å; I2204-F2315 HydrophobicContact CG2-CD2 4.47Å; I2204-F2315 WeakPolarHBondContact O-CD2 3.26Å; V2207-F2315 HydrophobicContact CB-CD2 4.05Å; V2207-F2315 HydrophobicContact CB-CE2 4.19Å; V2207-F2315 HydrophobicContact CG2-CD2 3.48Å; V2207-F2315 VanDerWaalsContact CG2-CD2 3.41Å; V2207-F2315 HydrophobicContact CG2-CE2 3.7Å; V2207-F2315 HydrophobicContact CG2-CG 4.38Å; S2311-F2315 WeakPolarHBondContact O-CB 3.18Å; S2311-F2315 PolarHBondContact O-N 3.05Å; S2311-F2315 VanDerWaalsContact O-N 3.11Å; C2312-F2315 WeakPolarHBondContact O-CB 3.49Å; C2312-F2315 PolarHBondContact O-N 3.31Å; R2313-F2315 VanDerWaalsContact C-N 3.32Å; R2313-F2315 PolarHBondContact O-N 3.24Å; F2315-A2318 PolarHBondContact O-N 3.23Å; F2315-I2319 HydrophobicContact CD1-CD1 3.91Å; F2315-I2319 HydrophobicContact CE1-CD1 3.44Å; F2315-I2319 VanDerWaalsContact CE1-CD1 3.43Å; F2315-I2319 HydrophobicContact CE2-CD1 4.25Å; F2315-I2319 HydrophobicContact CG-CD1 4.46Å; F2315-I2319 HydrophobicContact CZ-CD1 3.64Å; F2315-I2319 WeakPolarHBondContact O-CG1 3.4Å; F2315-I2319 PolarHBondContact O-N 2.98Å; F2315-I2319 VanDerWaalsContact O-N 3.13Å |
| 2316 | F | 91.1 | Very high | 78.6 | Confident | 0.4 Ų | 0.4 | 67.7 Ų | 67.7 | 0% | 0.002 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.5 | -32.7 | 177.7 | -78.4 | -73.5 | 0 | 0 | 0 | 113.2 | L2239 L2242 S2243 V2246 F2247 C2312 R2313 I2319 V2320 | L2239-F2316 HydrophobicContact CD2-CB 4.26Å; L2242-F2316 HydrophobicContact CD2-CB 4.46Å; L2242-F2316 HydrophobicContact CD2-CD1 4.14Å; L2242-F2316 HydrophobicContact CG-CD1 4.15Å; S2243-F2316 VanDerWaalsContact CA-CE2 3.46Å; S2243-F2316 VanDerWaalsContact CB-CD2 3.43Å; V2246-F2316 HydrophobicContact CB-CE1 3.82Å; V2246-F2316 HydrophobicContact CB-CZ 3.91Å; V2246-F2316 HydrophobicContact CG1-CE1 3.91Å; V2246-F2316 HydrophobicContact CG1-CZ 3.99Å; V2246-F2316 HydrophobicContact CG2-CE1 3.99Å; V2246-F2316 HydrophobicContact CG2-CZ 4.48Å; F2247-F2316 AromaticContact CD2-CE2 3.93Å; F2247-F2316 HydrophobicContact CD2-CE2 3.93Å; F2247-F2316 AromaticContact CD2-CZ 3.86Å; F2247-F2316 HydrophobicContact CD2-CZ 3.86Å; F2247-F2316 AromaticContact CE2-CE2 3.61Å; F2247-F2316 HydrophobicContact CE2-CE2 3.61Å; F2247-F2316 AromaticContact CE2-CZ 3.77Å; F2247-F2316 HydrophobicContact CE2-CZ 3.77Å; C2312-F2316 WeakPolarHBondContact O-CD2 3.34Å; C2312-F2316 PolarHBondContact O-N 3.27Å; R2313-F2316 PolarHBondContact O-N 3.27Å; F2316-I2319 HydrophobicContact CD1-CD1 4.36Å; F2316-I2319 HydrophobicContact CE1-CD1 4.42Å; F2316-I2319 PolarHBondContact O-N 3.24Å; F2316-V2320 WeakPolarHBondContact O-CG2 3.37Å; F2316-V2320 PolarHBondContact O-N 3.03Å; F2316-V2320 VanDerWaalsContact O-N 3.09Å |
| 2317 | K | 90 | Very high | 75.8 | Confident | 98.2 Ų | 98.2 | 68.6 Ų | 68.6 | 43% | 0.427 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.8 | -49.1 | 173 | -173.6 | 175.4 | 178.3 | 179.9 | 0 | 111 | L2239 R2313 Q2314 I2319 V2320 E2321 | L2239-K2317 HydrophobicContact CD1-CB 4.02Å; L2239-K2317 HydrophobicContact CD1-CG 4.41Å; L2239-K2317 HydrophobicContact CD2-CB 4.44Å; R2313-K2317 WeakPolarHBondContact O-CB 3.41Å; R2313-K2317 PolarHBondContact O-N 3.03Å; Q2314-K2317 PolarHBondContact O-N 3.17Å; K2317-I2319 PolarHBondContact O-N 3.18Å; K2317-V2320 PolarHBondContact O-N 3.19Å; K2317-V2320 VanDerWaalsContact O-N 3.14Å; K2317-E2321 VanDerWaalsContact CE-CD 3.47Å; K2317-E2321 WeakPolarHBondContact CE-OE1 3.38Å; K2317-E2321 WeakPolarHBondContact CE-OE2 3.4Å; K2317-E2321 VanDerWaalsContact CG-CD 3.49Å; K2317-E2321 HydrophobicContact CG-CG 4.24Å; K2317-E2321 WeakPolarHBondContact CG-OE1 3.1Å; K2317-E2321 WeakPolarHBondContact CG-OE2 3.32Å; K2317-E2321 IonicContact NZ-OE1 3.53Å; K2317-E2321 WeakPolarHBondContact O-CB 3.38Å; K2317-E2321 WeakPolarHBondContact O-CG 3.39Å; K2317-E2321 PolarHBondContact O-N 3.15Å |
| 2318 | A | 89.4 | Confident | 73.1 | Confident | 35.8 Ų | 35.8 | 72.3 Ų | 72.3 | 30% | 0.296 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V2207 Q2314 F2315 V2320 E2321 E2322 | V2207-A2318 HydrophobicContact CG1-CB 3.91Å; V2207-A2318 HydrophobicContact CG2-CB 4.05Å; Q2314-A2318 PolarHBondContact O-N 3Å; F2315-A2318 PolarHBondContact O-N 3.23Å; A2318-V2320 VanDerWaalsContact C-N 3.28Å; A2318-V2320 PolarHBondContact O-N 3.05Å; A2318-E2321 PolarHBondContact O-N 3.16Å; A2318-E2322 WeakPolarHBondContact O-CB 3.32Å; A2318-E2322 PolarHBondContact O-N 3.08Å; A2318-E2322 VanDerWaalsContact O-N 3.09Å |
| 2319 | I | 89.4 | Confident | 70.4 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.7 | -38.3 | 175.6 | -73.4 | 171.1 | 0 | 0 | 0 | 112.1 | V2207 F2210 R2215 C2218 F2315 F2316 K2317 | V2207-I2319 HydrophobicContact CG1-CG1 4.41Å; V2207-I2319 HydrophobicContact CG2-CD1 4.38Å; V2207-I2319 HydrophobicContact CG2-CG1 3.58Å; F2210-I2319 HydrophobicContact CB-CG1 4.48Å; F2210-I2319 HydrophobicContact CD1-CD1 4.35Å; F2210-I2319 HydrophobicContact CD1-CG1 4.43Å; F2210-I2319 HydrophobicContact CD1-CG2 4.17Å; F2210-I2319 HydrophobicContact CD2-CD1 3.95Å; F2210-I2319 HydrophobicContact CE1-CD1 4.4Å; F2210-I2319 HydrophobicContact CE1-CG2 4.1Å; F2210-I2319 HydrophobicContact CE2-CD1 4.13Å; F2210-I2319 HydrophobicContact CG-CD1 4.06Å; F2210-I2319 HydrophobicContact CG-CG1 4.35Å; F2210-I2319 HydrophobicContact CZ-CD1 4.37Å; R2215-I2319 VanDerWaalsContact CD-O 3.31Å; R2215-I2319 WeakPolarHBondContact CD-O 3.47Å; R2215-I2319 HydrophobicContact CG-CG2 4.29Å; R2215-I2319 WeakPolarHBondContact CG-O 3.48Å; C2218-I2319 HydrophobicContact CB-CG2 4.12Å; F2315-I2319 HydrophobicContact CD1-CD1 3.91Å; F2315-I2319 HydrophobicContact CE1-CD1 3.44Å; F2315-I2319 VanDerWaalsContact CE1-CD1 3.43Å; F2315-I2319 HydrophobicContact CE2-CD1 4.25Å; F2315-I2319 HydrophobicContact CG-CD1 4.46Å; F2315-I2319 HydrophobicContact CZ-CD1 3.64Å; F2315-I2319 WeakPolarHBondContact O-CG1 3.4Å; F2315-I2319 PolarHBondContact O-N 2.98Å; F2315-I2319 VanDerWaalsContact O-N 3.13Å; F2316-I2319 HydrophobicContact CD1-CD1 4.36Å; F2316-I2319 HydrophobicContact CE1-CD1 4.42Å; F2316-I2319 PolarHBondContact O-N 3.24Å; K2317-I2319 PolarHBondContact O-N 3.18Å |
| 2320 | V | 87 | Confident | 67.8 | Low | 11.8 Ų | 11.8 | 79.4 Ų | 79.4 | 7% | 0.072 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -81.2 | -42.3 | -178.3 | 172.7 | 0 | 0 | 0 | 0 | 112 | R2219 Y2222 L2239 L2242 F2316 K2317 A2318 | R2219-V2320 HydrophobicContact CG-CG1 4.35Å; R2219-V2320 VanDerWaalsContact CZ-O 3.26Å; R2219-V2320 PolarHBondContact NE-O 3.15Å; R2219-V2320 PolarHBondContact NH2-O 2.94Å; Y2222-V2320 HydrophobicContact CD1-CG1 3.52Å; Y2222-V2320 VanDerWaalsContact CD1-CG1 3.49Å; Y2222-V2320 HydrophobicContact CD2-CG1 4.44Å; Y2222-V2320 HydrophobicContact CD2-CG2 4.49Å; Y2222-V2320 HydrophobicContact CE1-CG1 4.04Å; Y2222-V2320 HydrophobicContact CG-CG1 3.79Å; Y2222-V2320 HydrophobicContact CG-CG2 4.22Å; L2239-V2320 HydrophobicContact CD2-CG2 4.49Å; L2242-V2320 HydrophobicContact CD2-CG2 3.71Å; F2316-V2320 WeakPolarHBondContact O-CG2 3.37Å; F2316-V2320 PolarHBondContact O-N 3.03Å; F2316-V2320 VanDerWaalsContact O-N 3.09Å; K2317-V2320 PolarHBondContact O-N 3.19Å; K2317-V2320 VanDerWaalsContact O-N 3.14Å; A2318-V2320 VanDerWaalsContact C-N 3.28Å; A2318-V2320 PolarHBondContact O-N 3.05Å |
| 2321 | E | 80.3 | Confident | 65.1 | Low | 126.4 Ų | 126.4 | 80.3 Ų | 80.3 | 59% | 0.591 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -77.7 | -33.4 | -173.6 | -70.5 | -179.7 | 163.8 | 0 | 0 | 113.5 | K2317 A2318 S2323 | K2317-E2321 VanDerWaalsContact CE-CD 3.47Å; K2317-E2321 WeakPolarHBondContact CE-OE1 3.38Å; K2317-E2321 WeakPolarHBondContact CE-OE2 3.4Å; K2317-E2321 VanDerWaalsContact CG-CD 3.49Å; K2317-E2321 HydrophobicContact CG-CG 4.24Å; K2317-E2321 WeakPolarHBondContact CG-OE1 3.1Å; K2317-E2321 WeakPolarHBondContact CG-OE2 3.32Å; K2317-E2321 IonicContact NZ-OE1 3.53Å; K2317-E2321 WeakPolarHBondContact O-CB 3.38Å; K2317-E2321 WeakPolarHBondContact O-CG 3.39Å; K2317-E2321 PolarHBondContact O-N 3.15Å; A2318-E2321 PolarHBondContact O-N 3.16Å; E2321-S2323 PolarHBondContact O-N 3.08Å; E2321-S2323 VanDerWaalsContact O-N 3.16Å |
| 2322 | E | 61.2 | Low | 62.4 | Low | 90.6 Ų | 90.6 | 82.4 Ų | 82.4 | 42% | 0.423 | 43% | 0.434 | S | S | . | . | trans | -74.7 | 106.7 | -171.8 | -168.5 | 179.3 | -140.2 | 0 | 0 | 112.8 | R2215 R2219 A2318 T2324 | R2215-E2322 IonicContact CZ-OE2 2.9Å; R2215-E2322 VanDerWaalsContact CZ-OE2 3.27Å; R2215-E2322 VanDerWaalsContact NH1-CB 3.35Å; R2215-E2322 PolarHBondContact NH1-O 2.86Å; R2215-E2322 IonicContact NH1-OE2 3.48Å; R2215-E2322 PolarHBondContact NH1-OE2 3.28Å; R2215-E2322 IonicContact NH2-OE2 3.09Å; R2215-E2322 PolarHBondContact NH2-OE2 3.19Å; R2219-E2322 PolarHBondContact NH2-O 2.92Å; A2318-E2322 WeakPolarHBondContact O-CB 3.32Å; A2318-E2322 PolarHBondContact O-N 3.08Å; A2318-E2322 VanDerWaalsContact O-N 3.09Å; E2322-T2324 HydrophobicContact CG-CG2 4.09Å; E2322-T2324 PolarHBondContact O-N 3.08Å | ||
| 2323 | S | 47.8 | Very low | 59.6 | Low | 84.8 Ų | 84.8 | 85.8 Ų | 85.8 | 59% | 0.593 | 46% | 0.458 | S | S | * | . | trans | -79.7 | 106.9 | 169.1 | 143 | 0 | 0 | 0 | 0 | 110.2 | E2321 K2325 | E2321-S2323 PolarHBondContact O-N 3.08Å; E2321-S2323 VanDerWaalsContact O-N 3.16Å; S2323-K2325 VanDerWaalsContact C-N 3.35Å; S2323-K2325 PolarHBondContact O-N 3.07Å | ||
| 2324 | T | 39.4 | Very low | 57.2 | Low | 87.4 Ų | 87.4 | 88.8 Ų | 88.8 | 54% | 0.536 | 48% | 0.481 | S | S | . | . | trans | -56.4 | 127.9 | 163.4 | 45.1 | 0 | 0 | 0 | 0 | 109.9 | E2322 P2326 | E2322-T2324 HydrophobicContact CG-CG2 4.09Å; E2322-T2324 PolarHBondContact O-N 3.08Å; T2324-P2326 VanDerWaalsContact O-N 3.13Å | ||
| 2325 | K | 35.2 | Very low | 54.7 | Low | 193.8 Ų | 193.8 | 87.6 Ų | 87.6 | 84% | 0.843 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -23 | 136.4 | -175.4 | -65.2 | 176.4 | -179.8 | 175.8 | 0 | 112.9 | S2323 D2327 | S2323-K2325 VanDerWaalsContact C-N 3.35Å; S2323-K2325 PolarHBondContact O-N 3.07Å; K2325-D2327 PolarHBondContact O-N 2.98Å; K2325-D2327 VanDerWaalsContact O-N 3.14Å |
| 2326 | P | 32 | Very low | 52 | Low | 110.6 Ų | 110.6 | 93.6 Ų | 93.6 | 72% | 0.718 | 51% | 0.507 | S | S | * | . | trans | -71 | 101.5 | -169.1 | 28.3 | -35.2 | 0 | 0 | 0 | 111.9 | T2324 K2328 | T2324-P2326 VanDerWaalsContact O-N 3.13Å; P2326-K2328 PolarHBondContact O-N 3.26Å | ||
| 2327 | D | 31.6 | Very low | 49.3 | Very low | 128 Ų | 128 | 96.1 Ų | 96.1 | 68% | 0.684 | 53% | 0.533 | S | S | * | . | trans | -60.4 | 121.3 | 152 | -80.1 | -38.2 | 0 | 0 | 0 | 107.6 | K2325 S2329 L2330 | K2325-D2327 PolarHBondContact O-N 2.98Å; K2325-D2327 VanDerWaalsContact O-N 3.14Å; D2327-S2329 PolarHBondContact O-N 3.08Å; D2327-L2330 PolarHBondContact O-N 3.06Å | ||
| 2328 | K | 34.4 | Very low | 46.9 | Very low | 213.6 Ų | 213.6 | 95.4 Ų | 95.4 | 93% | 0.929 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | 35.5 | -171.8 | -69.7 | -174.7 | 173.5 | -177.1 | 0 | 114.1 | P2326 | P2326-K2328 PolarHBondContact O-N 3.26Š|
| 2329 | S | 35.5 | Very low | 44.5 | Very low | 85.2 Ų | 85.2 | 97.8 Ų | 97.8 | 60% | 0.596 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.7 | 9.5 | -179.9 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | D2327 | D2327-S2329 PolarHBondContact O-N 3.08Š|
| 2330 | L | 36.5 | Very low | 41.7 | Very low | 110.2 Ų | 110.2 | 104.1 Ų | 104.1 | 58% | 0.577 | 58% | 0.575 | S | S | * | * | trans | -135.8 | 64.3 | 173.3 | -80.3 | 141.2 | 0 | 0 | 0 | 112.1 | D2327 P2332 | D2327-L2330 PolarHBondContact O-N 3.06Å; L2330-P2332 WeakPolarHBondContact O-CD 3.43Å | ||
| 2331 | D | 32.1 | Very low | 39.1 | Very low | 108.2 Ų | 108.2 | 108 Ų | 108 | 58% | 0.579 | 60% | 0.6 | S | S | * | * | trans | -77.7 | 126 | 171.8 | -150.6 | 10.5 | 0 | 0 | 0 | 110.5 | S2333 T2334 | D2331-S2333 WeakPolarHBondContact CB-OG 3.25Å; D2331-S2333 PolarHBondContact O-N 2.97Å; D2331-S2333 VanDerWaalsContact O-N 3.08Å; D2331-S2333 PolarHBondContact OD1-N 3.41Å; D2331-S2333 VanDerWaalsContact OD1-N 3.16Å; D2331-S2333 PolarHBondContact OD1-OG 2.68Å; D2331-S2333 WeakPolarHBondContact OD2-CB 3.43Å; D2331-S2333 PolarHBondContact OD2-OG 3.08Å; D2331-T2334 PolarHBondContact O-N 3.29Å; D2331-T2334 PolarHBondContact O-OG1 3.33Å | ||
| 2332 | P | 34.5 | Very low | 36.7 | Very low | 76.8 Ų | 76.8 | 108.9 Ų | 108.9 | 50% | 0.499 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.1 | 9.8 | -179.4 | -17.6 | 31.4 | 0 | 0 | 0 | 114.2 | K2223 L2330 T2334 F2335 N2336 | K2223-P2332 PolarHBondContact NZ-O 3.31Å; L2330-P2332 WeakPolarHBondContact O-CD 3.43Å; P2332-T2334 PolarHBondContact O-N 2.93Å; P2332-F2335 PolarHBondContact O-N 2.66Å; P2332-N2336 PolarHBondContact O-N 2.91Å |
| 2333 | S | 35 | Very low | 35.4 | Very low | 72.4 Ų | 72.4 | 110.7 Ų | 110.7 | 51% | 0.506 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.8 | -29.4 | 176.1 | 61.5 | 0 | 0 | 0 | 0 | 113.3 | D2331 F2335 N2336 G2337 | D2331-S2333 WeakPolarHBondContact CB-OG 3.25Å; D2331-S2333 PolarHBondContact O-N 2.97Å; D2331-S2333 VanDerWaalsContact O-N 3.08Å; D2331-S2333 PolarHBondContact OD1-N 3.41Å; D2331-S2333 VanDerWaalsContact OD1-N 3.16Å; D2331-S2333 PolarHBondContact OD1-OG 2.68Å; D2331-S2333 WeakPolarHBondContact OD2-CB 3.43Å; D2331-S2333 PolarHBondContact OD2-OG 3.08Å; S2333-F2335 PolarHBondContact O-N 3.28Å; S2333-F2335 VanDerWaalsContact O-N 3.09Å; S2333-N2336 PolarHBondContact O-N 3.41Å; S2333-N2336 VanDerWaalsContact O-N 3.11Å; S2333-G2337 PolarHBondContact O-N 3.18Å; S2333-G2337 VanDerWaalsContact O-N 3.08Å |
| 2334 | T | 38.9 | Very low | 34.4 | Very low | 110.6 Ų | 110.6 | 113.4 Ų | 113.4 | 68% | 0.679 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -77.1 | 2.2 | -177.5 | -43.7 | 0 | 0 | 0 | 0 | 112.7 | D2331 P2332 L2338 | D2331-T2334 PolarHBondContact O-N 3.29Å; D2331-T2334 PolarHBondContact O-OG1 3.33Å; P2332-T2334 PolarHBondContact O-N 2.93Å; T2334-L2338 WeakPolarHBondContact O-CD1 3.48Å; T2334-L2338 WeakPolarHBondContact O-CG 3.21Å; T2334-L2338 PolarHBondContact O-N 2.93Å |
| 2335 | F | 37 | Very low | 33.8 | Very low | 88.4 Ų | 88.4 | 116.7 Ų | 116.7 | 39% | 0.388 | 64% | 0.641 | S | S | . | * | trans | -110.7 | 20.6 | -176.9 | -144.9 | -79 | 0 | 0 | 0 | 113.2 | V2000 K2223 P2332 S2333 G2337 L2338 L2339 | V2000-F2335 HydrophobicContact CG1-CZ 4.31Å; K2223-F2335 HydrophobicContact CD-CD1 4.39Å; K2223-F2335 HydrophobicContact CD-CE1 3.45Å; K2223-F2335 HydrophobicContact CD-CZ 3.87Å; K2223-F2335 VanDerWaalsContact NZ-CD1 3.35Å; P2332-F2335 PolarHBondContact O-N 2.66Å; S2333-F2335 PolarHBondContact O-N 3.28Å; S2333-F2335 VanDerWaalsContact O-N 3.09Å; F2335-G2337 PolarHBondContact O-N 2.96Å; F2335-L2338 HydrophobicContact CD1-CB 4.41Å; F2335-L2338 HydrophobicContact CD1-CD1 4.26Å; F2335-L2338 HydrophobicContact CE1-CB 4.34Å; F2335-L2338 HydrophobicContact CE1-CD1 3.64Å; F2335-L2338 HydrophobicContact CE1-CG 3.97Å; F2335-L2338 WeakPolarHBondContact O-CB 3.34Å; F2335-L2339 HydrophobicContact CD1-CD1 4.17Å; F2335-L2339 HydrophobicContact CE1-CD1 3.88Å | ||
| 2336 | N | 33.7 | Very low | 33.4 | Very low | 132.4 Ų | 132.4 | 113.5 Ų | 113.5 | 71% | 0.708 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -88.1 | 0.8 | 172.5 | -78.4 | -9.5 | 0 | 0 | 0 | 111.8 | P2332 S2333 L2338 L2339 D2340 | P2332-N2336 PolarHBondContact O-N 2.91Å; S2333-N2336 PolarHBondContact O-N 3.41Å; S2333-N2336 VanDerWaalsContact O-N 3.11Å; N2336-L2338 VanDerWaalsContact C-N 3.26Å; N2336-L2338 PolarHBondContact O-N 3.27Å; N2336-L2338 VanDerWaalsContact O-N 3.13Å; N2336-L2339 PolarHBondContact O-N 3.13Å; N2336-L2339 VanDerWaalsContact O-N 3.12Å; N2336-D2340 PolarHBondContact O-N 3.25Å; N2336-D2340 VanDerWaalsContact O-N 3.16Å |
| 2337 | G | 35 | Very low | 33.1 | Very low | 53 Ų | 53 | 113.3 Ų | 113.3 | 55% | 0.546 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.7 | 10.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | S2333 F2335 P2341 | S2333-G2337 PolarHBondContact O-N 3.18Å; S2333-G2337 VanDerWaalsContact O-N 3.08Å; F2335-G2337 PolarHBondContact O-N 2.96Å; G2337-P2341 VanDerWaalsContact O-CD 3.3Å; G2337-P2341 WeakPolarHBondContact O-CD 3.46Å; G2337-P2341 WeakPolarHBondContact O-CG 3.38Å |
| 2338 | L | 39.7 | Very low | 32.8 | Very low | 83 Ų | 83 | 115.9 Ų | 115.9 | 44% | 0.435 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.8 | 4.6 | 176.6 | -95.4 | 166.1 | 0 | 0 | 0 | 114.5 | N2003 G2004 Q2040 T2334 F2335 N2336 | N2003-L2338 WeakPolarHBondContact O-CD2 3.5Å; N2003-L2338 WeakPolarHBondContact O-CG 3.45Å; G2004-L2338 VanDerWaalsContact CA-CD2 3.41Å; Q2040-L2338 VanDerWaalsContact NE2-CD1 3.33Å; T2334-L2338 WeakPolarHBondContact O-CD1 3.48Å; T2334-L2338 WeakPolarHBondContact O-CG 3.21Å; T2334-L2338 PolarHBondContact O-N 2.93Å; F2335-L2338 HydrophobicContact CD1-CB 4.41Å; F2335-L2338 HydrophobicContact CD1-CD1 4.26Å; F2335-L2338 HydrophobicContact CE1-CB 4.34Å; F2335-L2338 HydrophobicContact CE1-CD1 3.64Å; F2335-L2338 HydrophobicContact CE1-CG 3.97Å; F2335-L2338 WeakPolarHBondContact O-CB 3.34Å; N2336-L2338 VanDerWaalsContact C-N 3.26Å; N2336-L2338 PolarHBondContact O-N 3.27Å; N2336-L2338 VanDerWaalsContact O-N 3.13Å |
| 2339 | L | 37.5 | Very low | 32.4 | Very low | 87 Ų | 87 | 113.3 Ų | 113.3 | 46% | 0.455 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -125 | 12.5 | 176.3 | -70.3 | 164.8 | 0 | 0 | 0 | 113.9 | F2335 N2336 L2342 I2343 | F2335-L2339 HydrophobicContact CD1-CD1 4.17Å; F2335-L2339 HydrophobicContact CE1-CD1 3.88Å; N2336-L2339 PolarHBondContact O-N 3.13Å; N2336-L2339 VanDerWaalsContact O-N 3.12Å; L2339-L2342 PolarHBondContact O-N 2.77Å; L2339-I2343 WeakPolarHBondContact O-CD1 3.37Å; L2339-I2343 VanDerWaalsContact O-CG1 3.24Å; L2339-I2343 WeakPolarHBondContact O-CG1 3.23Å |
| 2340 | D | 31.3 | Very low | 32 | Very low | 132.6 Ų | 132.6 | 115.1 Ų | 115.1 | 71% | 0.709 | 65% | 0.65 | S | S | * | * | trans | -97.9 | 84.8 | 160.6 | -94.3 | -23.2 | 0 | 0 | 0 | 115.4 | N2336 L2342 I2343 | N2336-D2340 PolarHBondContact O-N 3.25Å; N2336-D2340 VanDerWaalsContact O-N 3.16Å; D2340-L2342 PolarHBondContact O-N 2.83Å; D2340-I2343 PolarHBondContact O-N 3.31Å | ||
| 2341 | P | 32.4 | Very low | 31.4 | Very low | 93.2 Ų | 93.2 | 115.9 Ų | 115.9 | 61% | 0.605 | 66% | 0.659 | S | S | * | * | trans | -96.6 | 15.4 | -170.2 | 16 | -4.7 | 0 | 0 | 0 | 113.1 | G2337 I2343 | G2337-P2341 VanDerWaalsContact O-CD 3.3Å; G2337-P2341 WeakPolarHBondContact O-CD 3.46Å; G2337-P2341 WeakPolarHBondContact O-CG 3.38Å; P2341-I2343 PolarHBondContact O-N 3.49Å | ||
| 2342 | L | 31 | Very low | 31.1 | Very low | 144.4 Ų | 144.4 | 115.8 Ų | 115.8 | 76% | 0.756 | 67% | 0.667 | S | S | * | * | trans | -155.7 | 75 | 170.2 | -79.4 | 164.3 | 0 | 0 | 0 | 113.1 | L2339 D2340 | L2339-L2342 PolarHBondContact O-N 2.77Å; D2340-L2342 PolarHBondContact O-N 2.83Å | ||
| 2343 | I | 32.4 | Very low | 30.6 | Very low | 128.2 Ų | 128.2 | 118 Ų | 118 | 66% | 0.657 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -147.8 | 105.2 | 161.1 | -85.1 | 166.9 | 0 | 0 | 0 | 111.3 | L2339 D2340 P2341 | L2339-I2343 WeakPolarHBondContact O-CD1 3.37Å; L2339-I2343 VanDerWaalsContact O-CG1 3.24Å; L2339-I2343 WeakPolarHBondContact O-CG1 3.23Å; D2340-I2343 PolarHBondContact O-N 3.31Å; P2341-I2343 PolarHBondContact O-N 3.49Å |
| 2344 | N | 27.3 | Very low | 30.1 | Very low | 141.8 Ų | 141.8 | 119 Ų | 119 | 76% | 0.758 | 69% | 0.691 | S | S | * | * | trans | 4 | 110 | 174.2 | -68.4 | -20.3 | 0 | 0 | 0 | 118.9 | T2346 | N2344-T2346 PolarHBondContact O-N 2.84Š| ||
| 2345 | N | 26.2 | Very low | 29.4 | Very low | 156.8 Ų | 156.8 | 125 Ų | 125 | 84% | 0.839 | 70% | 0.702 | S | S | * | * | trans | -90.2 | 137.1 | 159 | -76.5 | -56.2 | 0 | 0 | 0 | 112.3 | ||||
| 2346 | T | 26.9 | Very low | 28.8 | Very low | 126.4 Ų | 126.4 | 128.3 Ų | 128.3 | 78% | 0.775 | 72% | 0.723 | S | S | * | * | trans | -153.6 | 126.6 | 148.8 | 12.7 | 0 | 0 | 0 | 0 | 113.4 | N2344 | N2344-T2346 PolarHBondContact O-N 2.84Š| ||
| 2347 | S | 25.4 | Very low | 28.4 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | trans | 67.3 | 138.9 | 152.2 | -48.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 2348 | Q | 27 | Very low | 27.9 | Very low | 181.8 Ų | 181.8 | 128.4 Ų | 128.4 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | trans | 108 | 137 | 154.9 | -65.4 | -172.9 | -5.1 | 0 | 0 | 115.8 | ||||
| 2349 | L | 25.3 | Very low | 27.3 | Very low | 158.4 Ų | 158.4 | 128.7 Ų | 128.7 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | trans | 72.1 | 118.6 | 153.8 | -77.6 | 149.4 | 0 | 0 | 0 | 113.3 | V2351 | L2349-V2351 HydrophobicContact CD2-CG2 4.09Š| ||
| 2350 | V | 26 | Very low | 26.7 | Very low | 123.4 Ų | 123.4 | 135.2 Ų | 135.2 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | 107.8 | 101.3 | 126.6 | -177.8 | 0 | 0 | 0 | 0 | 112.7 | S2352 | V2350-S2352 VanDerWaalsContact C-N 3.31Å; V2350-S2352 PolarHBondContact O-N 3.37Å; V2350-S2352 PolarHBondContact O-OG 3.44Å | |||
| 2351 | V | 25.2 | Very low | 26.6 | Very low | 126.2 Ų | 126.2 | 134.1 Ų | 134.1 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | -46 | 110 | 151.2 | -174.1 | 0 | 0 | 0 | 0 | 111.8 | L2349 S2353 | L2349-V2351 HydrophobicContact CD2-CG2 4.09Å; V2351-S2353 PolarHBondContact O-N 3.08Å | ||
| 2352 | S | 25 | Very low | 26.3 | Very low | 107.6 Ų | 107.6 | 136.9 Ų | 136.9 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | -168.1 | 117.3 | 136.5 | -72.8 | 0 | 0 | 0 | 0 | 112.1 | V2350 S2354 | V2350-S2352 VanDerWaalsContact C-N 3.31Å; V2350-S2352 PolarHBondContact O-N 3.37Å; V2350-S2352 PolarHBondContact O-OG 3.44Å; S2352-S2354 PolarHBondContact O-N 3.15Å; S2352-S2354 VanDerWaalsContact O-N 3.14Å | ||
| 2353 | S | 23.7 | Very low | 26.2 | Very low | 122.2 Ų | 122.2 | 135 Ų | 135 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | -74.9 | 128.3 | 173 | 41.4 | 0 | 0 | 0 | 0 | 112 | V2351 | V2351-S2353 PolarHBondContact O-N 3.08Š| ||
| 2354 | S | 24.9 | Very low | 26 | Very low | 93.6 Ų | 93.6 | 133.5 Ų | 133.5 | 66% | 0.655 | 78% | 0.781 | S | S | * | * | trans | -160.7 | 126 | 170.2 | -170.7 | 0 | 0 | 0 | 0 | 112.9 | S2352 | S2352-S2354 PolarHBondContact O-N 3.15Å; S2352-S2354 VanDerWaalsContact O-N 3.14Å | ||
| 2355 | W | 24.9 | Very low | 26.1 | Very low | 236.4 Ų | 236.4 | 133.4 Ų | 133.4 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | trans | 105.4 | 96.5 | 162.4 | -66.4 | 94.4 | 0 | 0 | 0 | 113.9 | ||||
| 2356 | L | 24.7 | Very low | 26.3 | Very low | 158.8 Ų | 158.8 | 130.6 Ų | 130.6 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | 70.9 | 95.3 | 118.5 | -114.7 | 166.3 | 0 | 0 | 0 | 114.2 | |||||
| 2357 | S | 24.5 | Very low | 26.4 | Very low | 115.8 Ų | 115.8 | 132.2 Ų | 132.2 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | 123.2 | 144.6 | 154.4 | -125.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 2358 | G | 25.3 | Very low | 26.6 | Very low | 70 Ų | 70 | 132.3 Ų | 132.3 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 123.1 | 98.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y2360 | G2358-Y2360 PolarHBondContact O-N 3.39Š| ||
| 2359 | A | 26.3 | Very low | 26.6 | Very low | 90.8 Ų | 90.8 | 131.4 Ų | 131.4 | 75% | 0.75 | 79% | 0.786 | S | S | * | * | cis | 172.2 | 136.6 | 30.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 2360 | Y | 25 | Very low | 26.7 | Very low | 222.4 Ų | 222.4 | 132.2 Ų | 132.2 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | trans | -67.8 | 146.9 | 167.6 | -68.9 | -80.9 | 0 | 0 | 0 | 112.6 | G2358 | G2358-Y2360 PolarHBondContact O-N 3.39Š| ||
| 2361 | P | 28.3 | Very low | 26.8 | Very low | 109.4 Ų | 109.4 | 130.6 Ų | 130.6 | 71% | 0.71 | 79% | 0.785 | S | S | * | * | trans | -99.8 | 147.4 | -179.2 | 35.6 | -32 | 0 | 0 | 0 | 115.4 | ||||
| 2362 | N | 27.8 | Very low | 26.8 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | 140.5 | 148.4 | 149 | -68.5 | -31.5 | 0 | 0 | 0 | 114.7 | ||||
| 2363 | S | 28.8 | Very low | 26.9 | Very low | 104.2 Ų | 104.2 | 131.4 Ų | 131.4 | 73% | 0.729 | 79% | 0.787 | S | S | * | * | 177.7 | 121.1 | 119 | 53.8 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 2364 | S | 28.5 | Very low | 27.2 | Very low | 97.2 Ų | 97.2 | 130.9 Ų | 130.9 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | trans | 60.8 | 114.3 | 138 | 59.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 2365 | T | 28.6 | Very low | 27.2 | Very low | 139.8 Ų | 139.8 | 133.8 Ų | 133.8 | 86% | 0.858 | 79% | 0.788 | S | S | * | * | 75.2 | 121.2 | 126.2 | 53.6 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 2366 | A | 29.6 | Very low | 27.2 | Very low | 97.2 Ų | 97.2 | 128.6 Ų | 128.6 | 80% | 0.803 | 78% | 0.783 | S | S | * | * | trans | 123.2 | 102.3 | 140.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 2367 | N | 28.7 | Very low | 27.2 | Very low | 161.2 Ų | 161.2 | 125.9 Ų | 125.9 | 86% | 0.862 | 78% | 0.777 | S | S | * | * | trans | -7.8 | 149.5 | 149.9 | -83.2 | 0.3 | 0 | 0 | 0 | 119.3 | ||||
| 2368 | P | 31.3 | Very low | 27.2 | Very low | 109.2 Ų | 109.2 | 127.2 Ų | 127.2 | 71% | 0.709 | 78% | 0.775 | S | S | * | * | trans | -113.4 | 167.6 | -162.4 | 38.7 | -27.7 | 0 | 0 | 0 | 113.5 | ||||
| 2369 | L | 25.8 | Very low | 27.1 | Very low | 162.6 Ų | 162.6 | 128.9 Ų | 128.9 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | 166.9 | 143.3 | 147.4 | -90.8 | 163 | 0 | 0 | 0 | 112.2 | ||||
| 2370 | E | 26.7 | Very low | 27.1 | Very low | 176.4 Ų | 176.4 | 131 Ų | 131 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | 89.9 | 153.9 | 165.4 | -69.3 | -165.5 | 164.7 | 0 | 0 | 118.7 | I2372 | E2370-I2372 HydrophobicContact CG-CD1 4.05Š| ||
| 2371 | A | 28.4 | Very low | 27.1 | Very low | 90.6 Ų | 90.6 | 124.9 Ų | 124.9 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | 109.1 | 124.2 | 151.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 2372 | I | 26.9 | Very low | 26.9 | Very low | 163 Ų | 163 | 124.8 Ų | 124.8 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | 39.6 | 113.4 | 75.3 | -53.3 | 173.8 | 0 | 0 | 0 | 113.3 | E2370 | E2370-I2372 HydrophobicContact CG-CD1 4.05Š| |||
| 2373 | A | 26.4 | Very low | 26.8 | Very low | 86 Ų | 86 | 124.1 Ų | 124.1 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | -170.2 | 153.2 | 105.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 2374 | P | 29 | Very low | 26.6 | Very low | 113.2 Ų | 113.2 | 123.6 Ų | 123.6 | 74% | 0.735 | 77% | 0.768 | S | S | * | * | trans | -102.7 | 158.8 | -172.8 | 38.3 | -32.3 | 0 | 0 | 0 | 114.3 | ||||
| 2375 | L | 25.4 | Very low | 26.4 | Very low | 152.8 Ų | 152.8 | 124.9 Ų | 124.9 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -174.3 | 130.4 | 166.3 | -70 | 170.7 | 0 | 0 | 0 | 113 | ||||
| 2376 | T | 24.7 | Very low | 26.2 | Very low | 127.4 Ų | 127.4 | 123.6 Ų | 123.6 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | -119.2 | 138.8 | 111.7 | 44.6 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 2377 | S | 25.2 | Very low | 26 | Very low | 102.2 Ų | 102.2 | 124.8 Ų | 124.8 | 72% | 0.715 | 77% | 0.765 | S | S | * | * | trans | 174.2 | 140.4 | 150.4 | 59.9 | 0 | 0 | 0 | 0 | 114.1 | S2379 | S2377-S2379 PolarHBondContact O-N 3.38Å; S2377-S2379 VanDerWaalsContact O-N 3.15Å | ||
| 2378 | D | 24 | Very low | 25.9 | Very low | 144.6 Ų | 144.6 | 124.7 Ų | 124.7 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | -101.8 | 139.4 | 134.6 | -76.3 | -39.6 | 0 | 0 | 0 | 113.4 | ||||
| 2379 | S | 24.6 | Very low | 25.6 | Very low | 105 Ų | 105 | 126 Ų | 126 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | 144.3 | 106.4 | 151.3 | 61.9 | 0 | 0 | 0 | 0 | 115.7 | S2377 S2381 | S2377-S2379 PolarHBondContact O-N 3.38Å; S2377-S2379 VanDerWaalsContact O-N 3.15Å; S2379-S2381 PolarHBondContact O-N 3.19Å; S2379-S2381 VanDerWaalsContact O-N 3.13Å | ||
| 2380 | V | 25.9 | Very low | 25.7 | Very low | 135 Ų | 135 | 122 Ų | 122 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -103.5 | 102.6 | 145 | -170.1 | 0 | 0 | 0 | 0 | 111.5 | S2382 | V2380-S2382 PolarHBondContact O-N 3.34Š| ||
| 2381 | S | 24.4 | Very low | 25.6 | Very low | 94.6 Ų | 94.6 | 117.7 Ų | 117.7 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | trans | -59.1 | 117.5 | 151.1 | -41.9 | 0 | 0 | 0 | 0 | 113.5 | S2379 V2383 H2660 | S2379-S2381 PolarHBondContact O-N 3.19Å; S2379-S2381 VanDerWaalsContact O-N 3.13Å; S2381-V2383 PolarHBondContact O-N 2.92Å; S2381-H2660 PolarHBondContact OG-CE1 2.93Å; S2381-H2660 VanDerWaalsContact OG-CE1 3.3Å | ||
| 2382 | S | 24.5 | Very low | 25.4 | Very low | 106.2 Ų | 106.2 | 117.2 Ų | 117.2 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | 29 | 106.4 | 151.8 | 55.4 | 0 | 0 | 0 | 0 | 113.7 | V2380 S2384 | V2380-S2382 PolarHBondContact O-N 3.34Å; S2382-S2384 PolarHBondContact O-N 2.97Å | ||
| 2383 | V | 25.1 | Very low | 25.3 | Very low | 138.2 Ų | 138.2 | 113.2 Ų | 113.2 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | -87.4 | 100 | 151.3 | 179.4 | 0 | 0 | 0 | 0 | 107.8 | S2381 V2385 | S2381-V2383 PolarHBondContact O-N 2.92Å; V2383-V2385 HydrophobicContact CG1-CG2 3.75Å; V2383-V2385 PolarHBondContact O-N 3.02Å | ||
| 2384 | S | 24 | Very low | 25.2 | Very low | 93.2 Ų | 93.2 | 115.6 Ų | 115.6 | 65% | 0.652 | 78% | 0.784 | S | S | * | * | trans | -86.3 | 126.4 | 158.4 | 142.4 | 0 | 0 | 0 | 0 | 111.5 | S2382 C2386 | S2382-S2384 PolarHBondContact O-N 2.97Å; S2384-C2386 PolarHBondContact O-N 2.99Å; S2384-C2386 VanDerWaalsContact O-N 3.15Å | ||
| 2385 | V | 25.5 | Very low | 24.9 | Very low | 124.8 Ų | 124.8 | 113.5 Ų | 113.5 | 76% | 0.756 | 78% | 0.783 | S | S | * | * | trans | -81.3 | 119.7 | 164.2 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | V2383 T2387 | V2383-V2385 HydrophobicContact CG1-CG2 3.75Å; V2383-V2385 PolarHBondContact O-N 3.02Å; V2385-T2387 PolarHBondContact O-N 2.86Å | ||
| 2386 | C | 24.9 | Very low | 24.9 | Very low | 112.2 Ų | 112.2 | 113.6 Ų | 113.6 | 76% | 0.758 | 79% | 0.789 | S | S | * | * | trans | -102.9 | 109.3 | 176.3 | 55 | 0 | 0 | 0 | 0 | 112.5 | S2384 N2388 | S2384-C2386 PolarHBondContact O-N 2.99Å; S2384-C2386 VanDerWaalsContact O-N 3.15Å; C2386-N2388 VanDerWaalsContact C-N 3.26Å; C2386-N2388 PolarHBondContact O-N 3.04Å | ||
| 2387 | T | 24.6 | Very low | 24.8 | Very low | 122.4 Ų | 122.4 | 111.3 Ų | 111.3 | 75% | 0.751 | 79% | 0.792 | S | S | * | * | trans | -110.9 | 106 | 157.2 | 45.3 | 0 | 0 | 0 | 0 | 110.5 | V2385 T2389 | V2385-T2387 PolarHBondContact O-N 2.86Å; T2387-T2389 PolarHBondContact O-N 3.39Å | ||
| 2388 | N | 26.5 | Very low | 24.7 | Very low | 158.2 Ų | 158.2 | 110.3 Ų | 110.3 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -89.5 | 127.1 | 170.4 | -110.1 | 5.3 | 0 | 0 | 0 | 110.6 | C2386 | C2386-N2388 VanDerWaalsContact C-N 3.26Å; C2386-N2388 PolarHBondContact O-N 3.04Å | ||
| 2389 | T | 25.6 | Very low | 24.6 | Very low | 137.6 Ų | 137.6 | 107.5 Ų | 107.5 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | trans | -106.7 | 115.2 | 161.1 | 52.2 | 0 | 0 | 0 | 0 | 113.3 | T2387 | T2387-T2389 PolarHBondContact O-N 3.39Š| ||
| 2390 | G | 26.5 | Very low | 24.6 | Very low | 78.8 Ų | 78.8 | 106.3 Ų | 106.3 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | 156.8 | 130.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2391 | G | 24.9 | Very low | 24.4 | Very low | 86 Ų | 86 | 103.6 Ų | 103.6 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | trans | 157 | 146.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 2392 | G | 25.6 | Very low | 24.4 | Very low | 80 Ų | 80 | 104.3 Ų | 104.3 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | 124.2 | 101.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2393 | G | 24 | Very low | 24.4 | Very low | 79.4 Ų | 79.4 | 103.8 Ų | 103.8 | 82% | 0.819 | 81% | 0.807 | S | S | * | * | trans | -47.6 | 153.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 2394 | C | 23.8 | Very low | 24.6 | Very low | 136.2 Ų | 136.2 | 103.3 Ų | 103.3 | 92% | 0.92 | 80% | 0.797 | S | S | * | * | trans | 166.3 | 136.4 | 155.9 | 25.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2395 | G | 23.4 | Very low | 25 | Very low | 69.4 Ų | 69.4 | 104.5 Ų | 104.5 | 72% | 0.715 | 79% | 0.794 | S | S | * | * | trans | -131.2 | 168.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2396 | V | 25.3 | Very low | 25.7 | Very low | 153.2 Ų | 153.2 | 100.2 Ų | 100.2 | 93% | 0.928 | 77% | 0.77 | S | S | * | * | trans | 92 | 114.6 | 166.6 | -179.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2397 | G | 23 | Very low | 27 | Very low | 80.2 Ų | 80.2 | 100.4 Ų | 100.4 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | trans | 76.2 | 110.3 | 136.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 2398 | G | 23 | Very low | 28.8 | Very low | 80.6 Ų | 80.6 | 96.8 Ų | 96.8 | 83% | 0.831 | 73% | 0.734 | S | S | * | * | trans | 151.9 | 131.3 | 153.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | G2400 | G2398-G2400 VanDerWaalsContact C-N 3.31Å; G2398-G2400 PolarHBondContact O-N 3.2Å | ||
| 2399 | G | 22.4 | Very low | 30.6 | Very low | 87.2 Ų | 87.2 | 91 Ų | 91 | 90% | 0.899 | 71% | 0.706 | S | S | * | * | trans | -37.4 | 109.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | G2401 | G2399-G2401 VanDerWaalsContact C-N 3.33Å; G2399-G2401 PolarHBondContact O-N 2.97Å | ||
| 2400 | G | 22.8 | Very low | 32.6 | Very low | 78.2 Ų | 78.2 | 88.1 Ų | 88.1 | 81% | 0.806 | 69% | 0.685 | S | S | * | * | trans | -92.6 | 82.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G2398 S2402 | G2398-G2400 VanDerWaalsContact C-N 3.31Å; G2398-G2400 PolarHBondContact O-N 3.2Å; G2400-S2402 VanDerWaalsContact C-N 3.28Å; G2400-S2402 PolarHBondContact O-N 2.98Å; G2400-S2402 VanDerWaalsContact O-N 3.12Å | ||
| 2401 | G | 23 | Very low | 34.5 | Very low | 79.2 Ų | 79.2 | 86.3 Ų | 86.3 | 82% | 0.816 | 66% | 0.657 | S | S | * | * | trans | -69.2 | 96.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | G2399 C2403 | G2399-G2401 VanDerWaalsContact C-N 3.33Å; G2399-G2401 PolarHBondContact O-N 2.97Å; G2401-C2403 PolarHBondContact O-N 3Å | ||
| 2402 | S | 24.7 | Very low | 36.9 | Very low | 108.4 Ų | 108.4 | 83.5 Ų | 83.5 | 76% | 0.758 | 62% | 0.621 | S | S | * | * | trans | -66.4 | 112.4 | -173.6 | -171.9 | 0 | 0 | 0 | 0 | 111.3 | G2400 M2404 | G2400-S2402 VanDerWaalsContact C-N 3.28Å; G2400-S2402 PolarHBondContact O-N 2.98Å; G2400-S2402 VanDerWaalsContact O-N 3.12Å; S2402-M2404 PolarHBondContact O-N 3.28Å | ||
| 2403 | C | 24.1 | Very low | 39.5 | Very low | 97 Ų | 97 | 81.8 Ų | 81.8 | 66% | 0.655 | 59% | 0.593 | S | S | * | * | trans | -68.5 | 107.8 | 175.1 | -171 | 0 | 0 | 0 | 0 | 110.1 | G2401 I2405 | G2401-C2403 PolarHBondContact O-N 3Å; C2403-I2405 PolarHBondContact O-N 3.27Å; C2403-I2405 VanDerWaalsContact O-N 3.17Å | ||
| 2404 | M | 28.2 | Very low | 42.1 | Very low | 127.8 Ų | 127.8 | 82.2 Ų | 82.2 | 63% | 0.63 | 57% | 0.573 | S | S | * | * | trans | -68.6 | 97.5 | 172.1 | -73.9 | -84.3 | -109.5 | 0 | 0 | 109.3 | R2213 S2402 S2406 | R2213-M2404 PolarHBondContact NH1-O 3.08Å; R2213-M2404 PolarHBondContact NH2-O 3.02Å; S2402-M2404 PolarHBondContact O-N 3.28Å; M2404-S2406 PolarHBondContact O-N 3.1Å; M2404-S2406 VanDerWaalsContact O-N 3.11Å | ||
| 2405 | I | 32.6 | Very low | 44.8 | Very low | 117 Ų | 117 | 76.1 Ų | 76.1 | 60% | 0.6 | 53% | 0.533 | S | S | * | . | trans | -59.6 | 109.6 | 163.9 | -60.6 | 171.5 | 0 | 0 | 0 | 106.8 | C2403 F2407 | C2403-I2405 PolarHBondContact O-N 3.27Å; C2403-I2405 VanDerWaalsContact O-N 3.17Å; I2405-F2407 VanDerWaalsContact C-N 3.28Å; I2405-F2407 HydrophobicContact CB-CD2 4.23Å; I2405-F2407 HydrophobicContact CB-CE1 4.1Å; I2405-F2407 HydrophobicContact CB-CE2 4Å; I2405-F2407 HydrophobicContact CB-CZ 3.95Å; I2405-F2407 HydrophobicContact CD1-CZ 4.42Å; I2405-F2407 HydrophobicContact CG2-CD1 4.17Å; I2405-F2407 HydrophobicContact CG2-CD2 3.89Å; I2405-F2407 HydrophobicContact CG2-CE1 3.71Å; I2405-F2407 HydrophobicContact CG2-CE2 3.97Å; I2405-F2407 VanDerWaalsContact CG2-CE2 3.47Å; I2405-F2407 HydrophobicContact CG2-CG 4.25Å; I2405-F2407 HydrophobicContact CG2-CZ 3.63Å; I2405-F2407 VanDerWaalsContact CG2-CZ 3.44Å; I2405-F2407 VanDerWaalsContact O-CD2 3.29Å; I2405-F2407 WeakPolarHBondContact O-CD2 3.46Å; I2405-F2407 VanDerWaalsContact O-CE2 3.25Å; I2405-F2407 WeakPolarHBondContact O-CE2 3.28Å; I2405-F2407 PolarHBondContact O-N 2.99Å | ||
| 2406 | S | 41 | Very low | 47.9 | Very low | 35.2 Ų | 35.2 | 74.1 Ų | 74.1 | 25% | 0.246 | 51% | 0.506 | C | S | . | . | trans | -74.4 | 116.6 | 179.7 | 51.3 | 0 | 0 | 0 | 0 | 110.1 | D2033 A2034 M2404 I2408 | D2033-S2406 VanDerWaalsContact C-OG 3.28Å; D2033-S2406 VanDerWaalsContact CB-OG 3.29Å; D2033-S2406 WeakPolarHBondContact CB-OG 3.36Å; D2033-S2406 VanDerWaalsContact OD2-CB 3.22Å; D2033-S2406 WeakPolarHBondContact OD2-CB 3.36Å; D2033-S2406 PolarHBondContact OD2-OG 3.01Å; D2033-S2406 VanDerWaalsContact OD2-OG 3.09Å; A2034-S2406 VanDerWaalsContact CA-OG 3.31Å; A2034-S2406 WeakPolarHBondContact CA-OG 3.35Å; A2034-S2406 VanDerWaalsContact CB-O 3.28Å; A2034-S2406 WeakPolarHBondContact CB-O 3.36Å; A2034-S2406 PolarHBondContact N-OG 3.29Å; M2404-S2406 PolarHBondContact O-N 3.1Å; M2404-S2406 VanDerWaalsContact O-N 3.11Å; S2406-I2408 PolarHBondContact O-N 3.21Å | ||
| 2407 | F | 51.1 | Low | 50.9 | Low | 117 Ų | 117 | 67.5 Ų | 67.5 | 51% | 0.513 | 47% | 0.465 | S | S | . | . | trans | -77.3 | 133.1 | 179.3 | -65.1 | -90.6 | 0 | 0 | 0 | 110.1 | I2405 S2409 R2607 | I2405-F2407 VanDerWaalsContact C-N 3.28Å; I2405-F2407 HydrophobicContact CB-CD2 4.23Å; I2405-F2407 HydrophobicContact CB-CE1 4.1Å; I2405-F2407 HydrophobicContact CB-CE2 4Å; I2405-F2407 HydrophobicContact CB-CZ 3.95Å; I2405-F2407 HydrophobicContact CD1-CZ 4.42Å; I2405-F2407 HydrophobicContact CG2-CD1 4.17Å; I2405-F2407 HydrophobicContact CG2-CD2 3.89Å; I2405-F2407 HydrophobicContact CG2-CE1 3.71Å; I2405-F2407 HydrophobicContact CG2-CE2 3.97Å; I2405-F2407 VanDerWaalsContact CG2-CE2 3.47Å; I2405-F2407 HydrophobicContact CG2-CG 4.25Å; I2405-F2407 HydrophobicContact CG2-CZ 3.63Å; I2405-F2407 VanDerWaalsContact CG2-CZ 3.44Å; I2405-F2407 VanDerWaalsContact O-CD2 3.29Å; I2405-F2407 WeakPolarHBondContact O-CD2 3.46Å; I2405-F2407 VanDerWaalsContact O-CE2 3.25Å; I2405-F2407 WeakPolarHBondContact O-CE2 3.28Å; I2405-F2407 PolarHBondContact O-N 2.99Å; F2407-S2409 PolarHBondContact O-N 3.16Å; F2407-R2607 HydrophobicContact CD1-CB 4.26Å; F2407-R2607 HydrophobicContact CD1-CG 4.43Å; F2407-R2607 HydrophobicContact CE1-CB 3.9Å; F2407-R2607 HydrophobicContact CZ-CB 3.57Å; F2407-R2607 WeakPolarHBondContact CZ-O 3.39Å; F2407-R2607 PolarHBondContact O-NH1 2.99Å | ||
| 2408 | I | 63.4 | Low | 54 | Low | 46.4 Ų | 46.4 | 67.1 Ų | 67.1 | 24% | 0.238 | 44% | 0.438 | C | S | . | . | trans | -79.1 | 123.9 | 168.7 | -56.3 | 163.5 | 0 | 0 | 0 | 106.5 | V1994 L2031 A2034 S2406 L2412 I2413 R2607 | V1994-I2408 HydrophobicContact CG1-CD1 3.95Å; V1994-I2408 HydrophobicContact CG2-CD1 4.08Å; L2031-I2408 HydrophobicContact CD1-CD1 3.66Å; L2031-I2408 HydrophobicContact CD1-CG1 4.17Å; L2031-I2408 HydrophobicContact CD1-CG2 4.16Å; L2031-I2408 HydrophobicContact CG-CD1 4.27Å; A2034-I2408 HydrophobicContact CB-CD1 4.01Å; A2034-I2408 HydrophobicContact CB-CG1 3.58Å; A2034-I2408 VanDerWaalsContact CB-CG1 3.42Å; S2406-I2408 PolarHBondContact O-N 3.21Å; I2408-L2412 HydrophobicContact CG2-CB 4.06Å; I2408-L2412 HydrophobicContact CG2-CD1 4.43Å; I2408-L2412 HydrophobicContact CG2-CD2 3.86Å; I2408-L2412 HydrophobicContact CG2-CG 4.3Å; I2408-I2413 HydrophobicContact CB-CD1 4.31Å; I2408-I2413 HydrophobicContact CB-CG1 4.32Å; I2408-I2413 HydrophobicContact CG2-CD1 4.13Å; I2408-I2413 HydrophobicContact CG2-CG1 3.62Å; I2408-I2413 VanDerWaalsContact CG2-CG1 3.46Å; I2408-R2607 PolarHBondContact O-NH1 3.22Å | ||
| 2409 | S | 64.8 | Low | 57.1 | Low | 36.6 Ų | 36.6 | 64.3 Ų | 64.3 | 26% | 0.256 | 40% | 0.404 | S | S | . | . | trans | -75.1 | 149.3 | 172.9 | 65.4 | 0 | 0 | 0 | 0 | 110.6 | F2407 D2411 L2412 I2413 | F2407-S2409 PolarHBondContact O-N 3.16Å; S2409-D2411 WeakPolarHBondContact CB-OD2 3.31Å; S2409-D2411 PolarHBondContact O-N 2.97Å; S2409-D2411 VanDerWaalsContact O-N 3.16Å; S2409-D2411 PolarHBondContact OG-OD2 3.07Å; S2409-L2412 WeakPolarHBondContact O-CA 3.36Å; S2409-L2412 VanDerWaalsContact O-CB 3.29Å; S2409-L2412 WeakPolarHBondContact O-CB 3.32Å; S2409-L2412 PolarHBondContact O-N 3.13Å; S2409-L2412 WeakPolarHBondContact OG-CD1 3.18Å; S2409-L2412 PolarHBondContact OG-N 2.88Å; S2409-I2413 PolarHBondContact O-N 3.32Å; S2409-I2413 VanDerWaalsContact O-N 3.16Å | ||
| 2410 | D | 66 | Low | 60.3 | Low | 75.8 Ų | 75.8 | 61 Ų | 61 | 41% | 0.405 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.2 | -34 | 179.2 | -55.9 | -50.6 | 0 | 0 | 0 | 111.5 | L2412 I2413 H2414 N2568 | D2410-L2412 VanDerWaalsContact C-N 3.28Å; D2410-L2412 PolarHBondContact O-N 3.13Å; D2410-I2413 CarbonylContact O-C 3.53Å; D2410-I2413 WeakPolarHBondContact O-CA 3.37Å; D2410-I2413 WeakPolarHBondContact O-CB 3.42Å; D2410-I2413 PolarHBondContact O-N 3.05Å; D2410-I2413 VanDerWaalsContact O-N 3.12Å; D2410-H2414 WeakPolarHBondContact O-CB 3.42Å; D2410-H2414 PolarHBondContact O-N 2.91Å; D2410-H2414 PolarHBondContact O-ND1 3Å; D2410-N2568 PolarHBondContact OD2-ND2 2.97Å |
| 2411 | D | 66.6 | Low | 63.4 | Low | 42.4 Ų | 42.4 | 60.8 Ų | 60.8 | 23% | 0.227 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61 | -32 | 174 | -37.6 | -66.6 | 0 | 0 | 0 | 113 | S2409 A2415 K2461 N2572 | S2409-D2411 WeakPolarHBondContact CB-OD2 3.31Å; S2409-D2411 PolarHBondContact O-N 2.97Å; S2409-D2411 VanDerWaalsContact O-N 3.16Å; S2409-D2411 PolarHBondContact OG-OD2 3.07Å; D2411-A2415 VanDerWaalsContact O-CB 3.24Å; D2411-A2415 WeakPolarHBondContact O-CB 3.31Å; D2411-A2415 PolarHBondContact O-N 3.03Å; D2411-K2461 IonicContact OD1-NZ 3.5Å; D2411-K2461 PolarHBondContact OD1-NZ 3.02Å; D2411-N2572 PolarHBondContact OD2-ND2 3.42Å |
| 2412 | L | 75.9 | Confident | 66.5 | Low | 25.6 Ų | 25.6 | 61.5 Ų | 61.5 | 13% | 0.134 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -72 | -38.4 | 173.9 | -141.1 | 111.6 | 0 | 0 | 0 | 111 | R2026 V2027 T2030 L2031 I2408 S2409 D2410 A2415 L2416 | R2026-L2412 HydrophobicContact CG-CD2 4.16Å; R2026-L2412 VanDerWaalsContact CZ-CD2 3.5Å; R2026-L2412 VanDerWaalsContact NH1-CD2 3.3Å; V2027-L2412 HydrophobicContact CB-CD1 4.36Å; V2027-L2412 HydrophobicContact CB-CD2 4.43Å; V2027-L2412 HydrophobicContact CB-CG 4.49Å; V2027-L2412 HydrophobicContact CG1-CG 4.46Å; V2027-L2412 HydrophobicContact CG2-CD1 3.96Å; V2027-L2412 HydrophobicContact CG2-CD2 3.9Å; V2027-L2412 HydrophobicContact CG2-CG 4.21Å; T2030-L2412 HydrophobicContact CG2-CD1 4.15Å; T2030-L2412 HydrophobicContact CG2-CD2 3.79Å; L2031-L2412 HydrophobicContact CB-CD2 4.41Å; I2408-L2412 HydrophobicContact CG2-CB 4.06Å; I2408-L2412 HydrophobicContact CG2-CD1 4.43Å; I2408-L2412 HydrophobicContact CG2-CD2 3.86Å; I2408-L2412 HydrophobicContact CG2-CG 4.3Å; S2409-L2412 WeakPolarHBondContact O-CA 3.36Å; S2409-L2412 VanDerWaalsContact O-CB 3.29Å; S2409-L2412 WeakPolarHBondContact O-CB 3.32Å; S2409-L2412 PolarHBondContact O-N 3.13Å; S2409-L2412 WeakPolarHBondContact OG-CD1 3.18Å; S2409-L2412 PolarHBondContact OG-N 2.88Å; D2410-L2412 VanDerWaalsContact C-N 3.28Å; D2410-L2412 PolarHBondContact O-N 3.13Å; L2412-A2415 PolarHBondContact O-N 3.11Å; L2412-L2416 VanDerWaalsContact O-CB 3.26Å; L2412-L2416 WeakPolarHBondContact O-CB 3.29Å; L2412-L2416 PolarHBondContact O-N 2.97Å |
| 2413 | I | 80.9 | Confident | 69.5 | Low | 44.6 Ų | 44.6 | 57 Ų | 57 | 23% | 0.229 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.5 | -44.1 | 176.1 | -59 | 178.4 | 0 | 0 | 0 | 110.5 | Y1990 V1994 I2408 S2409 D2410 A2415 L2416 H2417 | Y1990-I2413 HydrophobicContact CD1-CG2 3.49Å; Y1990-I2413 VanDerWaalsContact CD1-CG2 3.48Å; Y1990-I2413 HydrophobicContact CD2-CG2 3.69Å; Y1990-I2413 HydrophobicContact CE1-CG2 4.02Å; Y1990-I2413 HydrophobicContact CE2-CG2 4.17Å; Y1990-I2413 HydrophobicContact CG-CG2 3.32Å; V1994-I2413 HydrophobicContact CG2-CD1 4.5Å; V1994-I2413 HydrophobicContact CG2-CG1 4.39Å; I2408-I2413 HydrophobicContact CB-CD1 4.31Å; I2408-I2413 HydrophobicContact CB-CG1 4.32Å; I2408-I2413 HydrophobicContact CG2-CD1 4.13Å; I2408-I2413 HydrophobicContact CG2-CG1 3.62Å; I2408-I2413 VanDerWaalsContact CG2-CG1 3.46Å; S2409-I2413 PolarHBondContact O-N 3.32Å; S2409-I2413 VanDerWaalsContact O-N 3.16Å; D2410-I2413 CarbonylContact O-C 3.53Å; D2410-I2413 WeakPolarHBondContact O-CA 3.37Å; D2410-I2413 WeakPolarHBondContact O-CB 3.42Å; D2410-I2413 PolarHBondContact O-N 3.05Å; D2410-I2413 VanDerWaalsContact O-N 3.12Å; I2413-A2415 VanDerWaalsContact C-N 3.32Å; I2413-A2415 PolarHBondContact O-N 2.9Å; I2413-L2416 WeakPolarHBondContact O-CB 3.23Å; I2413-L2416 PolarHBondContact O-N 3.01Å; I2413-H2417 WeakPolarHBondContact O-CB 3.42Å; I2413-H2417 PolarHBondContact O-N 3.12Å |
| 2414 | H | 77.8 | Confident | 72.6 | Confident | 88.2 Ų | 88.2 | 54.8 Ų | 54.8 | 41% | 0.408 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.1 | -36.8 | 175.4 | -72.5 | 86.2 | 0 | 0 | 0 | 112 | Y1990 D2410 H2417 R2418 | Y1990-H2414 AromaticContact CE2-CE1 3.78Å; Y1990-H2414 AromaticContact CE2-NE2 3.75Å; Y1990-H2414 AromaticContact CZ-NE2 3.67Å; Y1990-H2414 PolarHBondContact OH-CD2 3.44Å; Y1990-H2414 PolarHBondContact OH-NE2 2.82Å; D2410-H2414 WeakPolarHBondContact O-CB 3.42Å; D2410-H2414 PolarHBondContact O-N 2.91Å; D2410-H2414 PolarHBondContact O-ND1 3Å; H2414-H2417 PolarHBondContact O-N 3.36Å; H2414-R2418 VanDerWaalsContact O-CB 3.3Å; H2414-R2418 WeakPolarHBondContact O-CB 3.32Å; H2414-R2418 PolarHBondContact O-N 2.84Å |
| 2415 | A | 81.6 | Confident | 75.3 | Confident | 9 Ų | 9 | 52.3 Ų | 52.3 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E2023 V2027 D2411 L2412 I2413 R2418 L2419 | E2023-A2415 HydrophobicContact CG-CB 4.43Å; E2023-A2415 WeakPolarHBondContact OE1-CB 3.39Å; V2027-A2415 HydrophobicContact CG2-CB 3.97Å; D2411-A2415 VanDerWaalsContact O-CB 3.24Å; D2411-A2415 WeakPolarHBondContact O-CB 3.31Å; D2411-A2415 PolarHBondContact O-N 3.03Å; L2412-A2415 PolarHBondContact O-N 3.11Å; I2413-A2415 VanDerWaalsContact C-N 3.32Å; I2413-A2415 PolarHBondContact O-N 2.9Å; A2415-R2418 PolarHBondContact O-N 3.18Å; A2415-L2419 WeakPolarHBondContact O-CB 3.33Å; A2415-L2419 VanDerWaalsContact O-CG 3.27Å; A2415-L2419 WeakPolarHBondContact O-CG 3.26Å; A2415-L2419 PolarHBondContact O-N 3.04Å |
| 2416 | L | 87.2 | Confident | 77.9 | Confident | 27.2 Ų | 27.2 | 51.5 Ų | 51.5 | 14% | 0.142 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.3 | -48.4 | 174.5 | 178.6 | 62.5 | 0 | 0 | 0 | 111.5 | V1994 V1997 L2012 V2027 L2031 L2412 I2413 R2418 L2419 L2420 | V1994-L2416 HydrophobicContact CG2-CD2 4.42Å; V1997-L2416 HydrophobicContact CB-CD2 4.45Å; V1997-L2416 HydrophobicContact CG1-CD1 4.26Å; V1997-L2416 HydrophobicContact CG1-CD2 4.49Å; V1997-L2416 HydrophobicContact CG2-CD1 4.23Å; V1997-L2416 HydrophobicContact CG2-CD2 4.19Å; L2012-L2416 HydrophobicContact CD2-CD1 4.25Å; V2027-L2416 HydrophobicContact CG1-CB 3.97Å; V2027-L2416 HydrophobicContact CG1-CD1 4.02Å; V2027-L2416 HydrophobicContact CG1-CG 4.47Å; L2031-L2416 HydrophobicContact CD1-CD2 4.1Å; L2031-L2416 HydrophobicContact CD2-CD2 4.06Å; L2412-L2416 VanDerWaalsContact O-CB 3.26Å; L2412-L2416 WeakPolarHBondContact O-CB 3.29Å; L2412-L2416 PolarHBondContact O-N 2.97Å; I2413-L2416 WeakPolarHBondContact O-CB 3.23Å; I2413-L2416 PolarHBondContact O-N 3.01Å; L2416-R2418 VanDerWaalsContact C-N 3.33Å; L2416-R2418 PolarHBondContact O-N 3.02Å; L2416-L2419 PolarHBondContact O-N 3.27Å; L2416-L2420 HydrophobicContact CD1-CD1 4.01Å; L2416-L2420 HydrophobicContact CD1-CG 4.1Å; L2416-L2420 HydrophobicContact CG-CD1 3.97Å; L2416-L2420 HydrophobicContact CG-CG 4.45Å; L2416-L2420 WeakPolarHBondContact O-CB 3.31Å; L2416-L2420 VanDerWaalsContact O-CG 3.3Å; L2416-L2420 WeakPolarHBondContact O-CG 3.39Å; L2416-L2420 PolarHBondContact O-N 3.13Å |
| 2417 | H | 88.5 | Confident | 80.1 | Confident | 14 Ų | 14 | 50.3 Ų | 50.3 | 7% | 0.065 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.7 | -47.3 | 177 | -177.1 | -161.4 | 0 | 0 | 0 | 111.1 | Y1990 L1993 I2413 H2414 L2419 L2420 F2421 L2452 G2456 | Y1990-H2417 HydrophobicContact CE1-CB 4.16Å; Y1990-H2417 AromaticContact CE1-CG 3.98Å; Y1990-H2417 AromaticContact CE1-ND1 3.54Å; Y1990-H2417 AromaticContact CZ-ND1 3.83Å; Y1990-H2417 PolarHBondContact OH-ND1 3.32Å; L1993-H2417 HydrophobicContact CD2-CB 4.13Å; I2413-H2417 WeakPolarHBondContact O-CB 3.42Å; I2413-H2417 PolarHBondContact O-N 3.12Å; H2414-H2417 PolarHBondContact O-N 3.36Å; H2417-L2419 PolarHBondContact O-N 3.43Å; H2417-L2420 PolarHBondContact O-N 3.03Å; H2417-F2421 VanDerWaalsContact O-CB 3.3Å; H2417-F2421 WeakPolarHBondContact O-CB 3.33Å; H2417-F2421 PolarHBondContact O-N 2.88Å; H2417-L2452 VanDerWaalsContact CD2-CD2 3.42Å; H2417-L2452 WeakPolarHBondContact CD2-CD2 3.37Å; H2417-G2456 PolarHBondContact CE1-O 3.04Å; H2417-G2456 VanDerWaalsContact CE1-O 3.23Å; H2417-G2456 PolarHBondContact NE2-O 3.05Å; H2417-G2456 VanDerWaalsContact NE2-O 3.13Å |
| 2418 | R | 87.3 | Confident | 81.6 | Confident | 71.6 Ų | 71.6 | 45.2 Ų | 45.2 | 27% | 0.27 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62 | -44.7 | 176.4 | -171.9 | -175.1 | 58.8 | -140.3 | -4.3 | 112.7 | E2023 H2414 A2415 L2416 L2420 F2421 T2422 P2458 G2459 | E2023-R2418 IonicContact OE1-CZ 2.9Å; E2023-R2418 IonicContact OE1-NH1 3.9Å; E2023-R2418 IonicContact OE1-NH2 3.31Å; E2023-R2418 PolarHBondContact OE1-NH2 3.18Å; E2023-R2418 IonicContact OE2-CZ 3.01Å; E2023-R2418 IonicContact OE2-NH2 3.64Å; E2023-R2418 PolarHBondContact OE2-NH2 3.28Å; H2414-R2418 VanDerWaalsContact O-CB 3.3Å; H2414-R2418 WeakPolarHBondContact O-CB 3.32Å; H2414-R2418 PolarHBondContact O-N 2.84Å; A2415-R2418 PolarHBondContact O-N 3.18Å; L2416-R2418 VanDerWaalsContact C-N 3.33Å; L2416-R2418 PolarHBondContact O-N 3.02Å; R2418-L2420 VanDerWaalsContact C-N 3.32Å; R2418-L2420 PolarHBondContact O-N 2.93Å; R2418-F2421 PolarHBondContact O-N 3.19Å; R2418-T2422 VanDerWaalsContact O-CB 3.26Å; R2418-T2422 WeakPolarHBondContact O-CB 3.33Å; R2418-T2422 PolarHBondContact O-N 2.95Å; R2418-T2422 VanDerWaalsContact O-N 3.07Å; R2418-T2422 PolarHBondContact O-OG1 2.95Å; R2418-T2422 VanDerWaalsContact O-OG1 3.06Å; R2418-P2458 HydrophobicContact CB-CB 4.22Å; R2418-P2458 HydrophobicContact CB-CG 4.28Å; R2418-P2458 HydrophobicContact CG-CB 4.47Å; R2418-P2458 HydrophobicContact CG-CG 4.27Å; R2418-G2459 PolarHBondContact NH2-O 2.97Å |
| 2419 | L | 88 | Confident | 82.6 | Confident | 22.4 Ų | 22.4 | 48.2 Ų | 48.2 | 12% | 0.117 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 179.8 | -74.2 | 168.8 | 0 | 0 | 0 | 112.3 | V2016 N2020 E2023 L2024 V2027 A2415 L2416 H2417 N2423 | V2016-L2419 HydrophobicContact CG1-CD2 4.49Å; N2020-L2419 HydrophobicContact CB-CD2 4.16Å; E2023-L2419 HydrophobicContact CG-CD1 4.34Å; L2024-L2419 HydrophobicContact CB-CD1 4.38Å; L2024-L2419 HydrophobicContact CD1-CD1 4.21Å; V2027-L2419 HydrophobicContact CG2-CD1 4.41Å; A2415-L2419 WeakPolarHBondContact O-CB 3.33Å; A2415-L2419 VanDerWaalsContact O-CG 3.27Å; A2415-L2419 WeakPolarHBondContact O-CG 3.26Å; A2415-L2419 PolarHBondContact O-N 3.04Å; L2416-L2419 PolarHBondContact O-N 3.27Å; H2417-L2419 PolarHBondContact O-N 3.43Å; L2419-N2423 WeakPolarHBondContact O-CB 3.11Å; L2419-N2423 PolarHBondContact O-N 3.18Å; L2419-N2423 PolarHBondContact O-ND2 3.1Å |
| 2420 | L | 90.2 | Very high | 83.5 | Confident | 16.6 Ų | 16.6 | 50 Ų | 50 | 9% | 0.087 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.4 | -50.1 | 174.7 | -69.1 | 172.4 | 0 | 0 | 0 | 111.4 | L1993 V1997 I2008 L2012 L2416 H2417 R2418 T2422 N2423 Q2424 I2427 M2448 L2452 | L1993-L2420 HydrophobicContact CD1-CD1 3.87Å; L1993-L2420 HydrophobicContact CD2-CD1 4.37Å; L1993-L2420 HydrophobicContact CG-CD1 4.22Å; V1997-L2420 HydrophobicContact CG2-CD1 3.83Å; V1997-L2420 HydrophobicContact CG2-CD2 4.49Å; I2008-L2420 HydrophobicContact CG2-CD2 4.08Å; L2012-L2420 HydrophobicContact CD1-CD2 4.2Å; L2012-L2420 HydrophobicContact CD2-CD2 4.1Å; L2416-L2420 HydrophobicContact CD1-CD1 4.01Å; L2416-L2420 HydrophobicContact CD1-CG 4.1Å; L2416-L2420 HydrophobicContact CG-CD1 3.97Å; L2416-L2420 HydrophobicContact CG-CG 4.45Å; L2416-L2420 WeakPolarHBondContact O-CB 3.31Å; L2416-L2420 VanDerWaalsContact O-CG 3.3Å; L2416-L2420 WeakPolarHBondContact O-CG 3.39Å; L2416-L2420 PolarHBondContact O-N 3.13Å; H2417-L2420 PolarHBondContact O-N 3.03Å; R2418-L2420 VanDerWaalsContact C-N 3.32Å; R2418-L2420 PolarHBondContact O-N 2.93Å; L2420-T2422 VanDerWaalsContact C-N 3.29Å; L2420-T2422 PolarHBondContact O-N 2.72Å; L2420-N2423 CarbonylContact O-C 3.53Å; L2420-N2423 PolarHBondContact O-N 2.8Å; L2420-N2423 VanDerWaalsContact O-N 3.13Å; L2420-Q2424 WeakPolarHBondContact O-CA 3.37Å; L2420-Q2424 WeakPolarHBondContact O-CB 3.46Å; L2420-Q2424 PolarHBondContact O-N 3Å; L2420-I2427 HydrophobicContact CD2-CD1 4.04Å; L2420-M2448 HydrophobicContact CD1-SD 4.37Å; L2420-M2448 HydrophobicContact CD2-SD 3.92Å; L2420-M2448 HydrophobicContact CG-SD 4.49Å; L2420-L2452 HydrophobicContact CB-CD1 4.4Å; L2420-L2452 HydrophobicContact CB-CD2 4.36Å |
| 2421 | F | 88.4 | Confident | 84.1 | Confident | 75.4 Ų | 75.4 | 47.2 Ų | 47.2 | 33% | 0.331 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.7 | -45.9 | -178.5 | -168.2 | -87.2 | 0 | 0 | 0 | 112 | H2417 R2418 N2423 Q2424 L2452 P2457 P2458 | H2417-F2421 VanDerWaalsContact O-CB 3.3Å; H2417-F2421 WeakPolarHBondContact O-CB 3.33Å; H2417-F2421 PolarHBondContact O-N 2.88Å; R2418-F2421 PolarHBondContact O-N 3.19Å; F2421-N2423 VanDerWaalsContact C-N 3.28Å; F2421-N2423 PolarHBondContact O-N 3.04Å; F2421-Q2424 WeakPolarHBondContact O-CB 3.42Å; F2421-Q2424 WeakPolarHBondContact O-CG 3.3Å; F2421-Q2424 PolarHBondContact O-N 2.96Å; F2421-Q2424 PolarHBondContact O-NE2 3.2Å; F2421-L2452 HydrophobicContact CB-CD2 4.45Å; F2421-L2452 HydrophobicContact CD2-CD2 4.47Å; F2421-P2457 HydrophobicContact CE1-CB 4.21Å; F2421-P2457 HydrophobicContact CE2-CB 4.29Å; F2421-P2457 HydrophobicContact CZ-CB 3.83Å; F2421-P2458 HydrophobicContact CB-CG 4.17Å; F2421-P2458 HydrophobicContact CD1-CG 4.22Å; F2421-P2458 VanDerWaalsContact CG-CD 3.43Å; F2421-P2458 HydrophobicContact CG-CG 4.23Å |
| 2422 | T | 88 | Confident | 84.6 | Confident | 93 Ų | 93 | 48.3 Ų | 48.3 | 57% | 0.571 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -66.3 | -25.8 | 179.9 | -56.9 | 0 | 0 | 0 | 0 | 113.4 | R2418 L2420 | R2418-T2422 VanDerWaalsContact O-CB 3.26Å; R2418-T2422 WeakPolarHBondContact O-CB 3.33Å; R2418-T2422 PolarHBondContact O-N 2.95Å; R2418-T2422 VanDerWaalsContact O-N 3.07Å; R2418-T2422 PolarHBondContact O-OG1 2.95Å; R2418-T2422 VanDerWaalsContact O-OG1 3.06Å; L2420-T2422 VanDerWaalsContact C-N 3.29Å; L2420-T2422 PolarHBondContact O-N 2.72Å |
| 2423 | N | 88.1 | Confident | 84.5 | Confident | 13.8 Ų | 13.8 | 50.9 Ų | 50.9 | 7% | 0.074 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -112.2 | 10.2 | -178.2 | -60.9 | -77.4 | 0 | 0 | 0 | 113.6 | V2015 L2419 L2420 F2421 S2425 K2426 I2427 | V2015-N2423 HydrophobicContact CG2-CB 4.07Å; L2419-N2423 WeakPolarHBondContact O-CB 3.11Å; L2419-N2423 PolarHBondContact O-N 3.18Å; L2419-N2423 PolarHBondContact O-ND2 3.1Å; L2420-N2423 CarbonylContact O-C 3.53Å; L2420-N2423 PolarHBondContact O-N 2.8Å; L2420-N2423 VanDerWaalsContact O-N 3.13Å; F2421-N2423 VanDerWaalsContact C-N 3.28Å; F2421-N2423 PolarHBondContact O-N 3.04Å; N2423-S2425 VanDerWaalsContact C-N 3.3Å; N2423-S2425 PolarHBondContact O-N 3.07Å; N2423-S2425 VanDerWaalsContact O-N 3.15Å; N2423-K2426 HydrophobicContact CB-CD 4.5Å; N2423-K2426 PolarHBondContact O-N 2.97Å; N2423-K2426 VanDerWaalsContact O-N 3.14Å; N2423-K2426 PolarHBondContact OD1-NZ 3.17Å; N2423-K2426 VanDerWaalsContact OD1-NZ 3.12Å; N2423-I2427 HydrophobicContact CB-CD1 4.29Å; N2423-I2427 HydrophobicContact CB-CG1 4.4Å; N2423-I2427 VanDerWaalsContact O-CG1 3.29Å; N2423-I2427 WeakPolarHBondContact O-CG1 3.44Å; N2423-I2427 PolarHBondContact O-N 3.06Å |
| 2424 | Q | 88.5 | Confident | 83.8 | Confident | 51 Ų | 51 | 52.4 Ų | 52.4 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -52.6 | -42.6 | -172.9 | 168.9 | -174.4 | -49.1 | 0 | 0 | 113.5 | L2420 F2421 I2427 G2428 Y2445 M2448 V2449 L2452 | L2420-Q2424 WeakPolarHBondContact O-CA 3.37Å; L2420-Q2424 WeakPolarHBondContact O-CB 3.46Å; L2420-Q2424 PolarHBondContact O-N 3Å; F2421-Q2424 WeakPolarHBondContact O-CB 3.42Å; F2421-Q2424 WeakPolarHBondContact O-CG 3.3Å; F2421-Q2424 PolarHBondContact O-N 2.96Å; F2421-Q2424 PolarHBondContact O-NE2 3.2Å; Q2424-I2427 PolarHBondContact O-N 2.96Å; Q2424-G2428 PolarHBondContact O-N 3.17Å; Q2424-G2428 VanDerWaalsContact O-N 3.1Å; Q2424-Y2445 WeakPolarHBondContact O-CE2 3.46Å; Q2424-Y2445 PolarHBondContact O-OH 3.06Å; Q2424-Y2445 VanDerWaalsContact O-OH 3.07Å; Q2424-M2448 HydrophobicContact CG-CE 4.26Å; Q2424-V2449 HydrophobicContact CG-CG2 4.14Å; Q2424-L2452 HydrophobicContact CB-CD1 4.45Å; Q2424-L2452 HydrophobicContact CG-CD1 4.26Å |
| 2425 | S | 85.7 | Confident | 82.7 | Confident | 74.6 Ų | 74.6 | 58.6 Ų | 58.6 | 52% | 0.522 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.6 | -54.5 | 176.4 | 48.7 | 0 | 0 | 0 | 0 | 111.7 | N2423 I2427 G2428 D2429 | N2423-S2425 VanDerWaalsContact C-N 3.3Å; N2423-S2425 PolarHBondContact O-N 3.07Å; N2423-S2425 VanDerWaalsContact O-N 3.15Å; S2425-I2427 VanDerWaalsContact C-N 3.29Å; S2425-I2427 PolarHBondContact O-N 3.02Å; S2425-I2427 VanDerWaalsContact O-N 3.16Å; S2425-G2428 CarbonylContact O-C 3.55Å; S2425-G2428 VanDerWaalsContact O-CA 3.28Å; S2425-G2428 WeakPolarHBondContact O-CA 3.43Å; S2425-G2428 PolarHBondContact O-N 2.95Å; S2425-D2429 VanDerWaalsContact O-CG 3.29Å; S2425-D2429 PolarHBondContact O-N 3.2Å |
| 2426 | K | 87.6 | Confident | 81.5 | Confident | 100.8 Ų | 100.8 | 64.4 Ų | 64.4 | 44% | 0.438 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59 | -37 | 179.3 | -56.3 | 176.9 | -173.7 | 166.9 | 0 | 112.9 | V2015 N2423 G2428 D2429 Y2430 | V2015-K2426 HydrophobicContact CB-CB 3.83Å; V2015-K2426 HydrophobicContact CB-CD 4.1Å; V2015-K2426 HydrophobicContact CG1-CB 3.95Å; V2015-K2426 HydrophobicContact CG2-CB 4.32Å; V2015-K2426 VanDerWaalsContact O-CD 3.31Å; V2015-K2426 WeakPolarHBondContact O-CD 3.32Å; V2015-K2426 PolarHBondContact O-NZ 2.81Å; N2423-K2426 HydrophobicContact CB-CD 4.5Å; N2423-K2426 PolarHBondContact O-N 2.97Å; N2423-K2426 VanDerWaalsContact O-N 3.14Å; N2423-K2426 PolarHBondContact OD1-NZ 3.17Å; N2423-K2426 VanDerWaalsContact OD1-NZ 3.12Å; K2426-G2428 VanDerWaalsContact C-N 3.31Å; K2426-D2429 WeakPolarHBondContact CA-OD2 3.36Å; K2426-D2429 PolarHBondContact O-N 3.09Å; K2426-Y2430 VanDerWaalsContact O-CB 3.27Å; K2426-Y2430 WeakPolarHBondContact O-CB 3.32Å; K2426-Y2430 PolarHBondContact O-N 2.99Å |
| 2427 | I | 86.2 | Confident | 79.9 | Confident | 10.2 Ų | 10.2 | 66.1 Ų | 66.1 | 5% | 0.052 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 174.4 | -65.1 | 166.5 | 0 | 0 | 0 | 109.4 | A2011 L2012 V2015 L2420 N2423 Q2424 S2425 Y2430 L2431 Y2445 M2448 | A2011-I2427 HydrophobicContact CB-CG2 4.03Å; L2012-I2427 HydrophobicContact CD1-CD1 3.98Å; V2015-I2427 HydrophobicContact CG2-CG1 3.77Å; L2420-I2427 HydrophobicContact CD2-CD1 4.04Å; N2423-I2427 HydrophobicContact CB-CD1 4.29Å; N2423-I2427 HydrophobicContact CB-CG1 4.4Å; N2423-I2427 VanDerWaalsContact O-CG1 3.29Å; N2423-I2427 WeakPolarHBondContact O-CG1 3.44Å; N2423-I2427 PolarHBondContact O-N 3.06Å; Q2424-I2427 PolarHBondContact O-N 2.96Å; S2425-I2427 VanDerWaalsContact C-N 3.29Å; S2425-I2427 PolarHBondContact O-N 3.02Å; S2425-I2427 VanDerWaalsContact O-N 3.16Å; I2427-Y2430 PolarHBondContact O-N 3.19Å; I2427-L2431 HydrophobicContact CG2-CD1 3.89Å; I2427-L2431 HydrophobicContact CG2-CG 4.45Å; I2427-L2431 VanDerWaalsContact O-CB 3.3Å; I2427-L2431 WeakPolarHBondContact O-CB 3.37Å; I2427-L2431 WeakPolarHBondContact O-CD1 3.39Å; I2427-L2431 VanDerWaalsContact O-CG 3.26Å; I2427-L2431 WeakPolarHBondContact O-CG 3.37Å; I2427-L2431 PolarHBondContact O-N 3.14Å; I2427-Y2445 HydrophobicContact CB-CE2 4.3Å; I2427-Y2445 HydrophobicContact CG2-CD2 4.15Å; I2427-Y2445 HydrophobicContact CG2-CE2 4.16Å; I2427-M2448 HydrophobicContact CB-CE 4.36Å; I2427-M2448 HydrophobicContact CD1-CE 4.32Å; I2427-M2448 HydrophobicContact CD1-SD 4.37Å; I2427-M2448 HydrophobicContact CG2-CE 4.06Å; I2427-M2448 HydrophobicContact CG2-SD 4.32Å |
| 2428 | G | 83.5 | Confident | 78.1 | Confident | 10.4 Ų | 10.4 | 73.8 Ų | 73.8 | 11% | 0.107 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q2424 S2425 K2426 Y2430 L2431 A2432 Y2445 | Q2424-G2428 PolarHBondContact O-N 3.17Å; Q2424-G2428 VanDerWaalsContact O-N 3.1Å; S2425-G2428 CarbonylContact O-C 3.55Å; S2425-G2428 VanDerWaalsContact O-CA 3.28Å; S2425-G2428 WeakPolarHBondContact O-CA 3.43Å; S2425-G2428 PolarHBondContact O-N 2.95Å; K2426-G2428 VanDerWaalsContact C-N 3.31Å; G2428-Y2430 VanDerWaalsContact C-N 3.34Å; G2428-Y2430 PolarHBondContact O-N 3.03Å; G2428-L2431 CarbonylContact O-C 3.6Å; G2428-L2431 PolarHBondContact O-N 3.05Å; G2428-A2432 VanDerWaalsContact O-CB 3.25Å; G2428-A2432 WeakPolarHBondContact O-CB 3.37Å; G2428-A2432 PolarHBondContact O-N 3.01Å; G2428-Y2445 VanDerWaalsContact CA-CE2 3.42Å; G2428-Y2445 VanDerWaalsContact CA-CZ 3.44Å; G2428-Y2445 VanDerWaalsContact N-CE2 3.34Å |
| 2429 | D | 83.7 | Confident | 76.6 | Confident | 109.2 Ų | 109.2 | 74.1 Ų | 74.1 | 58% | 0.584 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.8 | -44.2 | 178.1 | -61 | -38.2 | 0 | 0 | 0 | 111.7 | S2425 K2426 L2431 A2432 S2433 | S2425-D2429 VanDerWaalsContact O-CG 3.29Å; S2425-D2429 PolarHBondContact O-N 3.2Å; K2426-D2429 WeakPolarHBondContact CA-OD2 3.36Å; K2426-D2429 PolarHBondContact O-N 3.09Å; D2429-L2431 VanDerWaalsContact C-N 3.34Å; D2429-L2431 PolarHBondContact O-N 3.3Å; D2429-A2432 WeakPolarHBondContact O-CA 3.38Å; D2429-A2432 WeakPolarHBondContact O-CB 3.38Å; D2429-A2432 PolarHBondContact O-N 3.06Å; D2429-S2433 VanDerWaalsContact O-CB 3.26Å; D2429-S2433 WeakPolarHBondContact O-CB 3.43Å; D2429-S2433 PolarHBondContact O-N 3.11Å; D2429-S2433 PolarHBondContact O-OG 3.14Å |
| 2430 | Y | 83.3 | Confident | 75.2 | Confident | 74.2 Ų | 74.2 | 75.4 Ų | 75.4 | 29% | 0.291 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.8 | -49.1 | 176 | -179.7 | -93.1 | 0 | 0 | 0 | 111.4 | A2011 Q2014 V2015 K2048 K2426 I2427 G2428 A2432 S2433 N2434 | A2011-Y2430 HydrophobicContact CB-CD1 3.53Å; A2011-Y2430 VanDerWaalsContact CB-CD1 3.47Å; A2011-Y2430 HydrophobicContact CB-CE1 4.02Å; A2011-Y2430 HydrophobicContact CB-CG 4.35Å; Q2014-Y2430 HydrophobicContact CB-CD2 4.14Å; Q2014-Y2430 HydrophobicContact CB-CE2 3.79Å; Q2014-Y2430 HydrophobicContact CG-CE2 3.83Å; V2015-Y2430 HydrophobicContact CG1-CG 4.34Å; K2048-Y2430 PolarHBondContact NZ-OH 3.46Å; K2426-Y2430 VanDerWaalsContact O-CB 3.27Å; K2426-Y2430 WeakPolarHBondContact O-CB 3.32Å; K2426-Y2430 PolarHBondContact O-N 2.99Å; I2427-Y2430 PolarHBondContact O-N 3.19Å; G2428-Y2430 VanDerWaalsContact C-N 3.34Å; G2428-Y2430 PolarHBondContact O-N 3.03Å; Y2430-A2432 VanDerWaalsContact C-N 3.28Å; Y2430-A2432 PolarHBondContact O-N 3.22Å; Y2430-S2433 PolarHBondContact O-N 3.15Å; Y2430-S2433 VanDerWaalsContact O-N 3.09Å; Y2430-S2433 PolarHBondContact O-OG 3.22Å; Y2430-N2434 PolarHBondContact O-N 3.19Å |
| 2431 | L | 79.7 | Confident | 73.8 | Confident | 17.8 Ų | 17.8 | 74.8 Ų | 74.8 | 9% | 0.093 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.8 | -22.1 | 175.8 | -68.5 | 173.9 | 0 | 0 | 0 | 111.9 | P2007 A2011 I2427 G2428 D2429 S2433 N2434 W2437 Y2445 | P2007-L2431 HydrophobicContact CB-CD2 4.35Å; A2011-L2431 HydrophobicContact CB-CD1 4.43Å; A2011-L2431 HydrophobicContact CB-CD2 4.21Å; A2011-L2431 HydrophobicContact CB-CG 4.12Å; I2427-L2431 HydrophobicContact CG2-CD1 3.89Å; I2427-L2431 HydrophobicContact CG2-CG 4.45Å; I2427-L2431 VanDerWaalsContact O-CB 3.3Å; I2427-L2431 WeakPolarHBondContact O-CB 3.37Å; I2427-L2431 WeakPolarHBondContact O-CD1 3.39Å; I2427-L2431 VanDerWaalsContact O-CG 3.26Å; I2427-L2431 WeakPolarHBondContact O-CG 3.37Å; I2427-L2431 PolarHBondContact O-N 3.14Å; G2428-L2431 CarbonylContact O-C 3.6Å; G2428-L2431 PolarHBondContact O-N 3.05Å; D2429-L2431 VanDerWaalsContact C-N 3.34Å; D2429-L2431 PolarHBondContact O-N 3.3Å; L2431-S2433 VanDerWaalsContact C-N 3.29Å; L2431-S2433 PolarHBondContact O-N 3.31Å; L2431-N2434 PolarHBondContact O-N 3.47Å; L2431-W2437 VanDerWaalsContact C-CH2 3.47Å; L2431-W2437 VanDerWaalsContact C-CZ3 3.5Å; L2431-W2437 HydrophobicContact CB-CD2 4.24Å; L2431-W2437 HydrophobicContact CB-CE3 4.06Å; L2431-W2437 HydrophobicContact CB-CH2 3.85Å; L2431-W2437 HydrophobicContact CB-CZ2 4.16Å; L2431-W2437 HydrophobicContact CB-CZ3 4.29Å; L2431-W2437 HydrophobicContact CD2-CD2 4.24Å; L2431-W2437 HydrophobicContact CD2-CG 4.45Å; L2431-W2437 HydrophobicContact CD2-CH2 4.12Å; L2431-W2437 HydrophobicContact CD2-CZ2 4.08Å; L2431-W2437 WeakPolarHBondContact O-CB 3.27Å; L2431-W2437 WeakPolarHBondContact O-CH2 3.37Å; L2431-W2437 WeakPolarHBondContact O-CZ2 3.13Å; L2431-W2437 WeakPolarHBondContact O-CZ3 3.42Å; L2431-Y2445 HydrophobicContact CD1-CD2 4.12Å; L2431-Y2445 HydrophobicContact CD1-CG 4.34Å |
| 2432 | A | 76.3 | Confident | 72.9 | Confident | 63.8 Ų | 63.8 | 78.4 Ų | 78.4 | 53% | 0.527 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -83.7 | -25.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G2428 D2429 Y2430 N2434 | G2428-A2432 VanDerWaalsContact O-CB 3.25Å; G2428-A2432 WeakPolarHBondContact O-CB 3.37Å; G2428-A2432 PolarHBondContact O-N 3.01Å; D2429-A2432 WeakPolarHBondContact O-CA 3.38Å; D2429-A2432 WeakPolarHBondContact O-CB 3.38Å; D2429-A2432 PolarHBondContact O-N 3.06Å; Y2430-A2432 VanDerWaalsContact C-N 3.28Å; Y2430-A2432 PolarHBondContact O-N 3.22Å; A2432-N2434 VanDerWaalsContact C-N 3.28Å; A2432-N2434 PolarHBondContact O-N 2.72Å |
| 2433 | S | 74.2 | Confident | 72.3 | Confident | 81.4 Ų | 81.4 | 79.5 Ų | 79.5 | 57% | 0.569 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -77.9 | -28.7 | -178.8 | 71.6 | 0 | 0 | 0 | 0 | 114.3 | D2429 Y2430 L2431 R2435 | D2429-S2433 VanDerWaalsContact O-CB 3.26Å; D2429-S2433 WeakPolarHBondContact O-CB 3.43Å; D2429-S2433 PolarHBondContact O-N 3.11Å; D2429-S2433 PolarHBondContact O-OG 3.14Å; Y2430-S2433 PolarHBondContact O-N 3.15Å; Y2430-S2433 VanDerWaalsContact O-N 3.09Å; Y2430-S2433 PolarHBondContact O-OG 3.22Å; L2431-S2433 VanDerWaalsContact C-N 3.29Å; L2431-S2433 PolarHBondContact O-N 3.31Å; S2433-R2435 VanDerWaalsContact C-N 3.34Å; S2433-R2435 PolarHBondContact O-N 3.03Å |
| 2434 | N | 66.4 | Low | 71.7 | Confident | 75 Ų | 75 | 79.9 Ų | 79.9 | 40% | 0.401 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -79.5 | 116 | -178.5 | -140.1 | 4.9 | 0 | 0 | 0 | 110.3 | Y2430 L2431 A2432 D2436 W2437 | Y2430-N2434 PolarHBondContact O-N 3.19Å; L2431-N2434 PolarHBondContact O-N 3.47Å; A2432-N2434 VanDerWaalsContact C-N 3.28Å; A2432-N2434 PolarHBondContact O-N 2.72Å; N2434-D2436 VanDerWaalsContact C-N 3.31Å; N2434-D2436 PolarHBondContact O-N 3.18Å; N2434-W2437 VanDerWaalsContact CA-NE1 3.3Å; N2434-W2437 HydrophobicContact CB-CG 4.47Å; N2434-W2437 HydrophobicContact CB-CZ2 4.22Å; N2434-W2437 VanDerWaalsContact CG-NE1 3.26Å; N2434-W2437 PolarHBondContact ND2-NE1 2.68Å; N2434-W2437 VanDerWaalsContact ND2-NE1 3.18Å; N2434-W2437 WeakPolarHBondContact O-CB 3.38Å; N2434-W2437 VanDerWaalsContact O-CD1 3.29Å; N2434-W2437 WeakPolarHBondContact O-CZ2 3.34Å; N2434-W2437 PolarHBondContact O-N 3.42Å; N2434-W2437 VanDerWaalsContact O-N 3.14Å; N2434-W2437 PolarHBondContact O-NE1 3.34Å |
| 2435 | R | 55.2 | Low | 71.5 | Confident | 219 Ų | 219 | 79.7 Ų | 79.7 | 83% | 0.826 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -26.2 | -160.2 | -76.2 | -178.9 | 167.2 | -174.9 | -4 | 115.6 | S2433 W2437 | S2433-R2435 VanDerWaalsContact C-N 3.34Å; S2433-R2435 PolarHBondContact O-N 3.03Å; R2435-W2437 VanDerWaalsContact C-N 3.26Å; R2435-W2437 VanDerWaalsContact O-CD1 3.25Å; R2435-W2437 PolarHBondContact O-N 3.14Å |
| 2436 | D | 56.1 | Low | 71.4 | Confident | 131.4 Ų | 131.4 | 79.7 Ų | 79.7 | 70% | 0.703 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -0.6 | -167.4 | -56.4 | -57.7 | 0 | 0 | 0 | 114.7 | N2434 K2438 A2439 V2440 | N2434-D2436 VanDerWaalsContact C-N 3.31Å; N2434-D2436 PolarHBondContact O-N 3.18Å; D2436-K2438 VanDerWaalsContact C-N 3.26Å; D2436-K2438 PolarHBondContact O-N 3.22Å; D2436-K2438 VanDerWaalsContact O-N 3.09Å; D2436-A2439 PolarHBondContact O-N 2.93Å; D2436-V2440 HydrophobicContact CB-CG2 4.4Å; D2436-V2440 PolarHBondContact O-N 2.91Å |
| 2437 | W | 53.4 | Low | 71.2 | Confident | 63.2 Ų | 63.2 | 80.1 Ų | 80.1 | 24% | 0.239 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -7.1 | -171.7 | 62.3 | -99.4 | 0 | 0 | 0 | 116.3 | L2431 N2434 R2435 A2439 V2440 G2441 R2442 | L2431-W2437 VanDerWaalsContact C-CH2 3.47Å; L2431-W2437 VanDerWaalsContact C-CZ3 3.5Å; L2431-W2437 HydrophobicContact CB-CD2 4.24Å; L2431-W2437 HydrophobicContact CB-CE3 4.06Å; L2431-W2437 HydrophobicContact CB-CH2 3.85Å; L2431-W2437 HydrophobicContact CB-CZ2 4.16Å; L2431-W2437 HydrophobicContact CB-CZ3 4.29Å; L2431-W2437 HydrophobicContact CD2-CD2 4.24Å; L2431-W2437 HydrophobicContact CD2-CG 4.45Å; L2431-W2437 HydrophobicContact CD2-CH2 4.12Å; L2431-W2437 HydrophobicContact CD2-CZ2 4.08Å; L2431-W2437 WeakPolarHBondContact O-CB 3.27Å; L2431-W2437 WeakPolarHBondContact O-CH2 3.37Å; L2431-W2437 WeakPolarHBondContact O-CZ2 3.13Å; L2431-W2437 WeakPolarHBondContact O-CZ3 3.42Å; N2434-W2437 VanDerWaalsContact CA-NE1 3.3Å; N2434-W2437 HydrophobicContact CB-CG 4.47Å; N2434-W2437 HydrophobicContact CB-CZ2 4.22Å; N2434-W2437 VanDerWaalsContact CG-NE1 3.26Å; N2434-W2437 PolarHBondContact ND2-NE1 2.68Å; N2434-W2437 VanDerWaalsContact ND2-NE1 3.18Å; N2434-W2437 WeakPolarHBondContact O-CB 3.38Å; N2434-W2437 VanDerWaalsContact O-CD1 3.29Å; N2434-W2437 WeakPolarHBondContact O-CZ2 3.34Å; N2434-W2437 PolarHBondContact O-N 3.42Å; N2434-W2437 VanDerWaalsContact O-N 3.14Å; N2434-W2437 PolarHBondContact O-NE1 3.34Å; R2435-W2437 VanDerWaalsContact C-N 3.26Å; R2435-W2437 VanDerWaalsContact O-CD1 3.25Å; R2435-W2437 PolarHBondContact O-N 3.14Å; W2437-A2439 VanDerWaalsContact C-N 3.31Å; W2437-A2439 CarbonylContact O-C 3.56Å; W2437-A2439 PolarHBondContact O-N 3.12Å; W2437-V2440 PolarHBondContact O-N 2.98Å; W2437-G2441 CarbonylContact O-C 3.52Å; W2437-G2441 PolarHBondContact O-N 3.13Å; W2437-G2441 VanDerWaalsContact O-N 3.13Å; W2437-R2442 HydrophobicContact CE3-CB 3.94Å; W2437-R2442 HydrophobicContact CE3-CG 4.27Å; W2437-R2442 HydrophobicContact CH2-CB 3.96Å; W2437-R2442 HydrophobicContact CH2-CG 3.48Å; W2437-R2442 VanDerWaalsContact CH2-CG 3.48Å; W2437-R2442 HydrophobicContact CZ3-CB 4.12Å; W2437-R2442 HydrophobicContact CZ3-CG 3.9Å; W2437-R2442 WeakPolarHBondContact O-CB 3.43Å; W2437-R2442 PolarHBondContact O-N 2.96Å |
| 2438 | K | 50.6 | Low | 71.3 | Confident | 176 Ų | 176 | 80 Ų | 80 | 77% | 0.765 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -36.1 | -23.2 | -174.7 | -83 | -174.2 | 177.7 | 177.5 | 0 | 117.8 | D2436 | D2436-K2438 VanDerWaalsContact C-N 3.26Å; D2436-K2438 PolarHBondContact O-N 3.22Å; D2436-K2438 VanDerWaalsContact O-N 3.09Å |
| 2439 | A | 55.9 | Low | 71.4 | Confident | 76.2 Ų | 76.2 | 81.4 Ų | 81.4 | 63% | 0.63 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -49.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | D2436 W2437 G2441 R2442 Q2443 | D2436-A2439 PolarHBondContact O-N 2.93Å; W2437-A2439 VanDerWaalsContact C-N 3.31Å; W2437-A2439 CarbonylContact O-C 3.56Å; W2437-A2439 PolarHBondContact O-N 3.12Å; A2439-G2441 PolarHBondContact O-N 2.7Å; A2439-R2442 WeakPolarHBondContact O-CB 2.9Å; A2439-R2442 PolarHBondContact O-N 3.31Å; A2439-R2442 VanDerWaalsContact O-N 3.15Å; A2439-Q2443 PolarHBondContact O-N 2.8Å |
| 2440 | V | 57.4 | Low | 71.5 | Confident | 50.8 Ų | 50.8 | 79.9 Ų | 79.9 | 31% | 0.308 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -32.9 | -161.6 | -171 | 0 | 0 | 0 | 0 | 114 | D2436 W2437 R2442 P2444 | D2436-V2440 HydrophobicContact CB-CG2 4.4Å; D2436-V2440 PolarHBondContact O-N 2.91Å; W2437-V2440 PolarHBondContact O-N 2.98Å; V2440-R2442 VanDerWaalsContact C-N 3.33Å; V2440-P2444 WeakPolarHBondContact O-CD 3.31Å; V2440-P2444 WeakPolarHBondContact O-CG 3.31Å |
| 2441 | G | 60.7 | Low | 71.6 | Confident | 3.2 Ų | 3.2 | 79.1 Ų | 79.1 | 3% | 0.033 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -25.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | W2437 A2439 P2444 Y2445 | W2437-G2441 CarbonylContact O-C 3.52Å; W2437-G2441 PolarHBondContact O-N 3.13Å; W2437-G2441 VanDerWaalsContact O-N 3.13Å; A2439-G2441 PolarHBondContact O-N 2.7Å; G2441-P2444 WeakPolarHBondContact O-CD 3.34Å; G2441-P2444 VanDerWaalsContact O-CG 3.27Å; G2441-P2444 WeakPolarHBondContact O-CG 3.39Å; G2441-Y2445 WeakPolarHBondContact O-CB 3.41Å; G2441-Y2445 PolarHBondContact O-N 3.36Å |
| 2442 | R | 70.6 | Confident | 71.8 | Confident | 151.8 Ų | 151.8 | 78.5 Ų | 78.5 | 57% | 0.573 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -74.5 | -47.6 | -177.2 | -140.9 | -169.9 | -173.4 | 175.6 | 2.7 | 111.8 | W2437 A2439 V2440 Y2445 D2446 | W2437-R2442 HydrophobicContact CE3-CB 3.94Å; W2437-R2442 HydrophobicContact CE3-CG 4.27Å; W2437-R2442 HydrophobicContact CH2-CB 3.96Å; W2437-R2442 HydrophobicContact CH2-CG 3.48Å; W2437-R2442 VanDerWaalsContact CH2-CG 3.48Å; W2437-R2442 HydrophobicContact CZ3-CB 4.12Å; W2437-R2442 HydrophobicContact CZ3-CG 3.9Å; W2437-R2442 WeakPolarHBondContact O-CB 3.43Å; W2437-R2442 PolarHBondContact O-N 2.96Å; A2439-R2442 WeakPolarHBondContact O-CB 2.9Å; A2439-R2442 PolarHBondContact O-N 3.31Å; A2439-R2442 VanDerWaalsContact O-N 3.15Å; V2440-R2442 VanDerWaalsContact C-N 3.33Å; R2442-Y2445 CarbonylContact O-C 3.57Å; R2442-Y2445 WeakPolarHBondContact O-CA 3.33Å; R2442-Y2445 WeakPolarHBondContact O-CB 3.43Å; R2442-Y2445 PolarHBondContact O-N 3Å; R2442-Y2445 VanDerWaalsContact O-N 3.11Å; R2442-D2446 VanDerWaalsContact C-OD2 3.25Å; R2442-D2446 VanDerWaalsContact CG-OD2 3.31Å; R2442-D2446 WeakPolarHBondContact CG-OD2 3.49Å; R2442-D2446 IonicContact NE-OD2 3.39Å; R2442-D2446 PolarHBondContact NE-OD2 2.79Å; R2442-D2446 WeakPolarHBondContact O-CB 3.42Å; R2442-D2446 VanDerWaalsContact O-CG 3.28Å; R2442-D2446 PolarHBondContact O-N 3.22Å; R2442-D2446 VanDerWaalsContact O-OD2 3.12Å |
| 2443 | Q | 74.2 | Confident | 71.9 | Confident | 116.4 Ų | 116.4 | 78.8 Ų | 78.8 | 54% | 0.544 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -56.4 | -43.8 | -179.2 | -159.5 | -161.1 | 47.1 | 0 | 0 | 114.2 | A2439 Y2445 D2446 K2447 | A2439-Q2443 PolarHBondContact O-N 2.8Å; Q2443-Y2445 VanDerWaalsContact C-N 3.32Å; Q2443-D2446 PolarHBondContact O-N 2.63Å; Q2443-K2447 HydrophobicContact CG-CD 4.48Å; Q2443-K2447 WeakPolarHBondContact O-CB 3.28Å; Q2443-K2447 WeakPolarHBondContact O-CD 3.42Å; Q2443-K2447 VanDerWaalsContact O-CG 3.27Å; Q2443-K2447 WeakPolarHBondContact O-CG 3.3Å; Q2443-K2447 PolarHBondContact O-N 3.08Å; Q2443-K2447 VanDerWaalsContact O-N 3.11Å |
| 2444 | P | 76.9 | Confident | 72.1 | Confident | 20.8 Ų | 20.8 | 81.4 Ų | 81.4 | 14% | 0.135 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -69.9 | -33.1 | 173.5 | 18.4 | -23.5 | 0 | 0 | 0 | 113.1 | M1999 P2007 I2008 V2440 G2441 M2448 | M1999-P2444 HydrophobicContact CE-CB 3.71Å; M1999-P2444 HydrophobicContact CE-CG 3.75Å; M1999-P2444 HydrophobicContact SD-CB 4.1Å; P2007-P2444 HydrophobicContact CG-CG 4.46Å; I2008-P2444 HydrophobicContact CD1-CB 4.16Å; I2008-P2444 HydrophobicContact CG1-CB 4.39Å; V2440-P2444 WeakPolarHBondContact O-CD 3.31Å; V2440-P2444 WeakPolarHBondContact O-CG 3.31Å; G2441-P2444 WeakPolarHBondContact O-CD 3.34Å; G2441-P2444 VanDerWaalsContact O-CG 3.27Å; G2441-P2444 WeakPolarHBondContact O-CG 3.39Å; P2444-M2448 VanDerWaalsContact O-CB 3.27Å; P2444-M2448 WeakPolarHBondContact O-CB 3.38Å; P2444-M2448 PolarHBondContact O-N 3.08Å |
| 2445 | Y | 83.9 | Confident | 72.6 | Confident | 47.4 Ų | 47.4 | 80.9 Ų | 80.9 | 19% | 0.186 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.1 | -49.1 | 173.4 | 179.2 | -102.2 | 0 | 0 | 0 | 111.6 | Q2424 I2427 G2428 L2431 G2441 R2442 Q2443 K2447 M2448 V2449 | Q2424-Y2445 WeakPolarHBondContact O-CE2 3.46Å; Q2424-Y2445 PolarHBondContact O-OH 3.06Å; Q2424-Y2445 VanDerWaalsContact O-OH 3.07Å; I2427-Y2445 HydrophobicContact CB-CE2 4.3Å; I2427-Y2445 HydrophobicContact CG2-CD2 4.15Å; I2427-Y2445 HydrophobicContact CG2-CE2 4.16Å; G2428-Y2445 VanDerWaalsContact CA-CE2 3.42Å; G2428-Y2445 VanDerWaalsContact CA-CZ 3.44Å; G2428-Y2445 VanDerWaalsContact N-CE2 3.34Å; L2431-Y2445 HydrophobicContact CD1-CD2 4.12Å; L2431-Y2445 HydrophobicContact CD1-CG 4.34Å; G2441-Y2445 WeakPolarHBondContact O-CB 3.41Å; G2441-Y2445 PolarHBondContact O-N 3.36Å; R2442-Y2445 CarbonylContact O-C 3.57Å; R2442-Y2445 WeakPolarHBondContact O-CA 3.33Å; R2442-Y2445 WeakPolarHBondContact O-CB 3.43Å; R2442-Y2445 PolarHBondContact O-N 3Å; R2442-Y2445 VanDerWaalsContact O-N 3.11Å; Q2443-Y2445 VanDerWaalsContact C-N 3.32Å; Y2445-K2447 VanDerWaalsContact C-N 3.31Å; Y2445-K2447 PolarHBondContact O-N 3.2Å; Y2445-M2448 HydrophobicContact CD2-CE 3.7Å; Y2445-M2448 HydrophobicContact CE2-CE 3.79Å; Y2445-M2448 CarbonylContact O-C 3.54Å; Y2445-M2448 WeakPolarHBondContact O-CA 3.3Å; Y2445-M2448 WeakPolarHBondContact O-CB 3.44Å; Y2445-M2448 PolarHBondContact O-N 2.87Å; Y2445-M2448 VanDerWaalsContact O-N 3.08Å; Y2445-V2449 HydrophobicContact CD1-CG2 4.13Å; Y2445-V2449 HydrophobicContact CD2-CG2 4.28Å; Y2445-V2449 HydrophobicContact CE1-CG2 3.67Å; Y2445-V2449 HydrophobicContact CE2-CG2 3.83Å; Y2445-V2449 HydrophobicContact CG-CG2 4.42Å; Y2445-V2449 VanDerWaalsContact CZ-CG2 3.47Å; Y2445-V2449 WeakPolarHBondContact O-CG2 3.36Å; Y2445-V2449 PolarHBondContact O-N 3.14Å |
| 2446 | D | 83.6 | Confident | 73.5 | Confident | 75 Ų | 75 | 71.3 Ų | 71.3 | 40% | 0.401 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 179.6 | -62.9 | -25.8 | 0 | 0 | 0 | 111 | R2442 Q2443 V2449 T2450 | R2442-D2446 VanDerWaalsContact C-OD2 3.25Å; R2442-D2446 VanDerWaalsContact CG-OD2 3.31Å; R2442-D2446 WeakPolarHBondContact CG-OD2 3.49Å; R2442-D2446 IonicContact NE-OD2 3.39Å; R2442-D2446 PolarHBondContact NE-OD2 2.79Å; R2442-D2446 WeakPolarHBondContact O-CB 3.42Å; R2442-D2446 VanDerWaalsContact O-CG 3.28Å; R2442-D2446 PolarHBondContact O-N 3.22Å; R2442-D2446 VanDerWaalsContact O-OD2 3.12Å; Q2443-D2446 PolarHBondContact O-N 2.63Å; D2446-V2449 PolarHBondContact O-N 3.2Å; D2446-T2450 VanDerWaalsContact O-CB 3.26Å; D2446-T2450 WeakPolarHBondContact O-CB 3.2Å; D2446-T2450 PolarHBondContact O-N 3.11Å; D2446-T2450 PolarHBondContact O-OG1 3.16Å |
| 2447 | K | 84.2 | Confident | 74.5 | Confident | 108 Ų | 108 | 69.5 Ų | 69.5 | 47% | 0.47 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 170.6 | -75.8 | 173 | 179.2 | 174.1 | 0 | 112.3 | L1996 Q2443 Y2445 T2450 L2451 | L1996-K2447 HydrophobicContact CD1-CB 3.97Å; L1996-K2447 HydrophobicContact CD1-CD 4.12Å; L1996-K2447 HydrophobicContact CD2-CB 4.04Å; L1996-K2447 HydrophobicContact CD2-CD 4.06Å; Q2443-K2447 HydrophobicContact CG-CD 4.48Å; Q2443-K2447 WeakPolarHBondContact O-CB 3.28Å; Q2443-K2447 WeakPolarHBondContact O-CD 3.42Å; Q2443-K2447 VanDerWaalsContact O-CG 3.27Å; Q2443-K2447 WeakPolarHBondContact O-CG 3.3Å; Q2443-K2447 PolarHBondContact O-N 3.08Å; Q2443-K2447 VanDerWaalsContact O-N 3.11Å; Y2445-K2447 VanDerWaalsContact C-N 3.31Å; Y2445-K2447 PolarHBondContact O-N 3.2Å; K2447-T2450 PolarHBondContact O-N 3.28Å; K2447-L2451 WeakPolarHBondContact O-CB 3.25Å; K2447-L2451 VanDerWaalsContact O-CG 3.31Å; K2447-L2451 WeakPolarHBondContact O-CG 3.45Å; K2447-L2451 PolarHBondContact O-N 2.94Å |
| 2448 | M | 86.5 | Confident | 75.4 | Confident | 9.2 Ų | 9.2 | 67.8 Ų | 67.8 | 5% | 0.045 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64 | -48 | 177.8 | -177 | -167.4 | 74.2 | 0 | 0 | 111.3 | L1993 L1996 I2008 L2420 Q2424 I2427 P2444 Y2445 T2450 L2451 L2452 | L1993-M2448 HydrophobicContact CD1-CG 4.34Å; L1996-M2448 HydrophobicContact CD1-CB 4.24Å; L1996-M2448 VanDerWaalsContact CD2-CA 3.42Å; L1996-M2448 HydrophobicContact CD2-CB 3.58Å; L1996-M2448 HydrophobicContact CD2-CG 4.22Å; I2008-M2448 HydrophobicContact CD1-CB 4.3Å; I2008-M2448 HydrophobicContact CD1-SD 4.17Å; I2008-M2448 HydrophobicContact CG2-SD 4.11Å; L2420-M2448 HydrophobicContact CD1-SD 4.37Å; L2420-M2448 HydrophobicContact CD2-SD 3.92Å; L2420-M2448 HydrophobicContact CG-SD 4.49Å; Q2424-M2448 HydrophobicContact CG-CE 4.26Å; I2427-M2448 HydrophobicContact CB-CE 4.36Å; I2427-M2448 HydrophobicContact CD1-CE 4.32Å; I2427-M2448 HydrophobicContact CD1-SD 4.37Å; I2427-M2448 HydrophobicContact CG2-CE 4.06Å; I2427-M2448 HydrophobicContact CG2-SD 4.32Å; P2444-M2448 VanDerWaalsContact O-CB 3.27Å; P2444-M2448 WeakPolarHBondContact O-CB 3.38Å; P2444-M2448 PolarHBondContact O-N 3.08Å; Y2445-M2448 HydrophobicContact CD2-CE 3.7Å; Y2445-M2448 HydrophobicContact CE2-CE 3.79Å; Y2445-M2448 CarbonylContact O-C 3.54Å; Y2445-M2448 WeakPolarHBondContact O-CA 3.3Å; Y2445-M2448 WeakPolarHBondContact O-CB 3.44Å; Y2445-M2448 PolarHBondContact O-N 2.87Å; Y2445-M2448 VanDerWaalsContact O-N 3.08Å; M2448-T2450 VanDerWaalsContact C-N 3.32Å; M2448-T2450 PolarHBondContact O-N 3.08Å; M2448-L2451 PolarHBondContact O-N 3.14Å; M2448-L2452 HydrophobicContact CE-CD1 4.31Å; M2448-L2452 HydrophobicContact CG-CD1 4.03Å; M2448-L2452 HydrophobicContact CG-CG 4.36Å; M2448-L2452 WeakPolarHBondContact O-CB 3.27Å; M2448-L2452 VanDerWaalsContact O-CG 3.28Å; M2448-L2452 WeakPolarHBondContact O-CG 3.39Å; M2448-L2452 PolarHBondContact O-N 3.11Å; M2448-L2452 HydrophobicContact SD-CD1 4.47Å |
| 2449 | V | 86.3 | Confident | 75.8 | Confident | 40.6 Ų | 40.6 | 62.3 Ų | 62.3 | 25% | 0.246 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 177.1 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | Q2424 Y2445 D2446 L2451 L2452 A2453 | Q2424-V2449 HydrophobicContact CG-CG2 4.14Å; Y2445-V2449 HydrophobicContact CD1-CG2 4.13Å; Y2445-V2449 HydrophobicContact CD2-CG2 4.28Å; Y2445-V2449 HydrophobicContact CE1-CG2 3.67Å; Y2445-V2449 HydrophobicContact CE2-CG2 3.83Å; Y2445-V2449 HydrophobicContact CG-CG2 4.42Å; Y2445-V2449 VanDerWaalsContact CZ-CG2 3.47Å; Y2445-V2449 WeakPolarHBondContact O-CG2 3.36Å; Y2445-V2449 PolarHBondContact O-N 3.14Å; D2446-V2449 PolarHBondContact O-N 3.2Å; V2449-L2451 PolarHBondContact O-N 2.86Å; V2449-L2452 PolarHBondContact O-N 3.04Å; V2449-A2453 VanDerWaalsContact O-CB 3.3Å; V2449-A2453 WeakPolarHBondContact O-CB 3.28Å; V2449-A2453 PolarHBondContact O-N 3.27Å |
| 2450 | T | 85.4 | Confident | 75.5 | Confident | 76.2 Ų | 76.2 | 66.4 Ų | 66.4 | 47% | 0.467 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 174.6 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | D2446 K2447 M2448 A2453 H2454 | D2446-T2450 VanDerWaalsContact O-CB 3.26Å; D2446-T2450 WeakPolarHBondContact O-CB 3.2Å; D2446-T2450 PolarHBondContact O-N 3.11Å; D2446-T2450 PolarHBondContact O-OG1 3.16Å; K2447-T2450 PolarHBondContact O-N 3.28Å; M2448-T2450 VanDerWaalsContact C-N 3.32Å; M2448-T2450 PolarHBondContact O-N 3.08Å; T2450-A2453 WeakPolarHBondContact O-CB 3.47Å; T2450-A2453 PolarHBondContact O-N 3.17Å; T2450-H2454 PolarHBondContact O-N 3.24Å; T2450-H2454 VanDerWaalsContact O-N 3.13Å; T2450-H2454 PolarHBondContact O-ND1 3.04Å |
| 2451 | L | 85 | Confident | 75.1 | Confident | 58.6 Ų | 58.6 | 68.4 Ų | 68.4 | 31% | 0.307 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.9 | -41 | 178.8 | -133.9 | 105.3 | 0 | 0 | 0 | 112.4 | R1992 L1993 L1996 K2447 M2448 V2449 A2453 H2454 L2455 | R1992-L2451 HydrophobicContact CB-CD1 4.41Å; R1992-L2451 HydrophobicContact CB-CD2 3.98Å; L1993-L2451 VanDerWaalsContact CA-CD2 3.48Å; L1993-L2451 HydrophobicContact CB-CD2 3.76Å; L1993-L2451 HydrophobicContact CD1-CD2 4.02Å; L1993-L2451 VanDerWaalsContact N-CD2 3.33Å; L1996-L2451 HydrophobicContact CD1-CB 4.5Å; L1996-L2451 HydrophobicContact CD1-CD2 3.91Å; K2447-L2451 WeakPolarHBondContact O-CB 3.25Å; K2447-L2451 VanDerWaalsContact O-CG 3.31Å; K2447-L2451 WeakPolarHBondContact O-CG 3.45Å; K2447-L2451 PolarHBondContact O-N 2.94Å; M2448-L2451 PolarHBondContact O-N 3.14Å; V2449-L2451 PolarHBondContact O-N 2.86Å; L2451-A2453 VanDerWaalsContact C-N 3.32Å; L2451-A2453 PolarHBondContact O-N 3Å; L2451-H2454 CarbonylContact O-C 3.55Å; L2451-H2454 PolarHBondContact O-N 3.07Å; L2451-H2454 VanDerWaalsContact O-N 3.16Å; L2451-L2455 HydrophobicContact CG-CD1 4.28Å; L2451-L2455 WeakPolarHBondContact O-CB 3.39Å; L2451-L2455 VanDerWaalsContact O-CG 3.3Å; L2451-L2455 WeakPolarHBondContact O-CG 3.38Å; L2451-L2455 PolarHBondContact O-N 2.98Å |
| 2452 | L | 85.3 | Confident | 74.3 | Confident | 3.6 Ų | 3.6 | 71.3 Ų | 71.3 | 2% | 0.019 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 173.9 | -69.6 | 171.8 | 0 | 0 | 0 | 111.6 | L1993 H2417 L2420 F2421 Q2424 M2448 V2449 H2454 L2455 G2456 | L1993-L2452 HydrophobicContact CD1-CD2 4.35Å; H2417-L2452 VanDerWaalsContact CD2-CD2 3.42Å; H2417-L2452 WeakPolarHBondContact CD2-CD2 3.37Å; L2420-L2452 HydrophobicContact CB-CD1 4.4Å; L2420-L2452 HydrophobicContact CB-CD2 4.36Å; F2421-L2452 HydrophobicContact CB-CD2 4.45Å; F2421-L2452 HydrophobicContact CD2-CD2 4.47Å; Q2424-L2452 HydrophobicContact CB-CD1 4.45Å; Q2424-L2452 HydrophobicContact CG-CD1 4.26Å; M2448-L2452 HydrophobicContact CE-CD1 4.31Å; M2448-L2452 HydrophobicContact CG-CD1 4.03Å; M2448-L2452 HydrophobicContact CG-CG 4.36Å; M2448-L2452 WeakPolarHBondContact O-CB 3.27Å; M2448-L2452 VanDerWaalsContact O-CG 3.28Å; M2448-L2452 WeakPolarHBondContact O-CG 3.39Å; M2448-L2452 PolarHBondContact O-N 3.11Å; M2448-L2452 HydrophobicContact SD-CD1 4.47Å; V2449-L2452 PolarHBondContact O-N 3.04Å; L2452-H2454 VanDerWaalsContact C-N 3.3Å; L2452-H2454 PolarHBondContact O-N 2.96Å; L2452-L2455 PolarHBondContact O-N 2.99Å; L2452-G2456 PolarHBondContact O-N 2.88Å |
| 2453 | A | 78.7 | Confident | 72.7 | Confident | 71.8 Ų | 71.8 | 69.1 Ų | 69.1 | 59% | 0.593 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.7 | -34.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V2449 T2450 L2451 K2808 | V2449-A2453 VanDerWaalsContact O-CB 3.3Å; V2449-A2453 WeakPolarHBondContact O-CB 3.28Å; V2449-A2453 PolarHBondContact O-N 3.27Å; T2450-A2453 WeakPolarHBondContact O-CB 3.47Å; T2450-A2453 PolarHBondContact O-N 3.17Å; L2451-A2453 VanDerWaalsContact C-N 3.32Å; L2451-A2453 PolarHBondContact O-N 3Å; A2453-K2808 PolarHBondContact O-NZ 2.87Å |
| 2454 | H | 76.9 | Confident | 70.9 | Confident | 135.4 Ų | 135.4 | 67.3 Ų | 67.3 | 63% | 0.627 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -76.7 | -32.6 | 174.2 | -72.7 | 82.2 | 0 | 0 | 0 | 113.1 | R1989 T2450 L2451 L2452 G2456 | R1989-H2454 PolarHBondContact NH1-O 2.94Å; T2450-H2454 PolarHBondContact O-N 3.24Å; T2450-H2454 VanDerWaalsContact O-N 3.13Å; T2450-H2454 PolarHBondContact O-ND1 3.04Å; L2451-H2454 CarbonylContact O-C 3.55Å; L2451-H2454 PolarHBondContact O-N 3.07Å; L2451-H2454 VanDerWaalsContact O-N 3.16Å; L2452-H2454 VanDerWaalsContact C-N 3.3Å; L2452-H2454 PolarHBondContact O-N 2.96Å; H2454-G2456 VanDerWaalsContact C-N 3.3Å; H2454-G2456 PolarHBondContact O-N 3.47Å |
| 2455 | L | 77 | Confident | 68.9 | Low | 65.2 Ų | 65.2 | 67.8 Ų | 67.8 | 34% | 0.341 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -76.2 | -25.3 | 174.6 | -73.8 | 169.2 | 0 | 0 | 0 | 112.5 | L1986 R1989 Y1990 L1993 L2451 L2452 | L1986-L2455 HydrophobicContact CD2-CD2 4.14Å; R1989-L2455 HydrophobicContact CB-CD2 3.7Å; R1989-L2455 HydrophobicContact CB-CG 4.39Å; Y1990-L2455 HydrophobicContact CD1-CD1 4.13Å; Y1990-L2455 HydrophobicContact CD1-CD2 3.97Å; Y1990-L2455 HydrophobicContact CE1-CD1 4.05Å; Y1990-L2455 HydrophobicContact CE1-CD2 3.74Å; L1993-L2455 HydrophobicContact CB-CD1 4.48Å; L1993-L2455 HydrophobicContact CD1-CD1 4.38Å; L1993-L2455 HydrophobicContact CD2-CD1 4.01Å; L2451-L2455 HydrophobicContact CG-CD1 4.28Å; L2451-L2455 WeakPolarHBondContact O-CB 3.39Å; L2451-L2455 VanDerWaalsContact O-CG 3.3Å; L2451-L2455 WeakPolarHBondContact O-CG 3.38Å; L2451-L2455 PolarHBondContact O-N 2.98Å; L2452-L2455 PolarHBondContact O-N 2.99Å |
| 2456 | G | 75.1 | Confident | 66.4 | Low | 16.2 Ų | 16.2 | 70.9 Ų | 70.9 | 17% | 0.167 | 41% | 0.407 | C | S | . | . | trans | 75.5 | -175.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | H2417 L2452 H2454 | H2417-G2456 PolarHBondContact CE1-O 3.04Å; H2417-G2456 VanDerWaalsContact CE1-O 3.23Å; H2417-G2456 PolarHBondContact NE2-O 3.05Å; H2417-G2456 VanDerWaalsContact NE2-O 3.13Å; L2452-G2456 PolarHBondContact O-N 2.88Å; H2454-G2456 VanDerWaalsContact C-N 3.3Å; H2454-G2456 PolarHBondContact O-N 3.47Å | ||
| 2457 | P | 76.3 | Confident | 64.1 | Low | 94.8 Ų | 94.8 | 73.8 Ų | 73.8 | 62% | 0.616 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -61.8 | 143.5 | 174.1 | 27.3 | -33.9 | 0 | 0 | 0 | 110.8 | F2421 G2459 | F2421-P2457 HydrophobicContact CE1-CB 4.21Å; F2421-P2457 HydrophobicContact CE2-CB 4.29Å; F2421-P2457 HydrophobicContact CZ-CB 3.83Å; P2457-G2459 PolarHBondContact O-N 3.11Å; P2457-G2459 VanDerWaalsContact O-N 3.12Å |
| 2458 | P | 72.6 | Confident | 61.8 | Low | 25.6 Ų | 25.6 | 73.3 Ų | 73.3 | 17% | 0.166 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 130.3 | 176.9 | 27.3 | -36.4 | 0 | 0 | 0 | 109.8 | R2418 F2421 H2460 | R2418-P2458 HydrophobicContact CB-CB 4.22Å; R2418-P2458 HydrophobicContact CB-CG 4.28Å; R2418-P2458 HydrophobicContact CG-CB 4.47Å; R2418-P2458 HydrophobicContact CG-CG 4.27Å; F2421-P2458 HydrophobicContact CB-CG 4.17Å; F2421-P2458 HydrophobicContact CD1-CG 4.22Å; F2421-P2458 VanDerWaalsContact CG-CD 3.43Å; F2421-P2458 HydrophobicContact CG-CG 4.23Å; P2458-H2460 PolarHBondContact O-N 3.2Å |
| 2459 | G | 58.4 | Low | 59.5 | Low | 62 Ų | 62 | 78.8 Ų | 78.8 | 64% | 0.639 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 133.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R2418 P2457 K2461 | R2418-G2459 PolarHBondContact NH2-O 2.97Å; P2457-G2459 PolarHBondContact O-N 3.11Å; P2457-G2459 VanDerWaalsContact O-N 3.12Å; G2459-K2461 PolarHBondContact O-N 3.14Å |
| 2460 | H | 50.6 | Low | 57.1 | Low | 161.4 Ų | 161.4 | 82.3 Ų | 82.3 | 75% | 0.747 | 45% | 0.452 | S | S | * | . | trans | -60.3 | 114.3 | 174.7 | -74.9 | -76 | 0 | 0 | 0 | 109.4 | H1873 P2458 S2462 | H1873-H2460 AromaticContact CD2-CD2 3.59Å; H1873-H2460 AromaticContact CD2-CG 3.72Å; H1873-H2460 AromaticContact CE1-CD2 3.84Å; H1873-H2460 AromaticContact NE2-CD2 3.27Å; H1873-H2460 PolarHBondContact NE2-CD2 3.07Å; H1873-H2460 AromaticContact NE2-CG 3.83Å; H1873-H2460 AromaticContact NE2-NE2 3.55Å; P2458-H2460 PolarHBondContact O-N 3.2Å; H2460-S2462 PolarHBondContact O-N 2.93Å; H2460-S2462 VanDerWaalsContact O-N 3.09Å | ||
| 2461 | K | 49.6 | Very low | 55 | Low | 92.8 Ų | 92.8 | 84.5 Ų | 84.5 | 40% | 0.403 | 46% | 0.461 | S | S | . | . | trans | -51.8 | 133.4 | 161.4 | -71.9 | -173.3 | 173.5 | -170.9 | 0 | 107.5 | D2411 G2459 V2463 C2465 Y2469 | D2411-K2461 IonicContact OD1-NZ 3.5Å; D2411-K2461 PolarHBondContact OD1-NZ 3.02Å; G2459-K2461 PolarHBondContact O-N 3.14Å; K2461-V2463 PolarHBondContact O-N 3.14Å; K2461-C2465 HydrophobicContact CB-CB 4.05Å; K2461-C2465 HydrophobicContact CD-CB 4.12Å; K2461-C2465 HydrophobicContact CG-CB 4.21Å; K2461-C2465 PolarHBondContact NZ-O 3Å; K2461-Y2469 PolarHBondContact NZ-OH 2.91Å | ||
| 2462 | S | 42.2 | Very low | 53.1 | Low | 64.8 Ų | 64.8 | 86 Ų | 86 | 45% | 0.453 | 47% | 0.469 | S | S | . | . | trans | -53 | 142.5 | 165.6 | 57.6 | 0 | 0 | 0 | 0 | 108.8 | H2460 D2464 C2465 V2530 | H2460-S2462 PolarHBondContact O-N 2.93Å; H2460-S2462 VanDerWaalsContact O-N 3.09Å; S2462-D2464 WeakPolarHBondContact CB-OD2 3.4Å; S2462-D2464 PolarHBondContact O-N 2.84Å; S2462-D2464 VanDerWaalsContact O-N 3.14Å; S2462-D2464 VanDerWaalsContact OG-CG 3.3Å; S2462-D2464 PolarHBondContact OG-OD2 3.33Å; S2462-C2465 VanDerWaalsContact O-CB 3.24Å; S2462-C2465 WeakPolarHBondContact O-CB 3.36Å; S2462-C2465 PolarHBondContact O-N 3.11Å; S2462-C2465 PolarHBondContact OG-SG 3.33Å; S2462-C2465 VanDerWaalsContact OG-SG 3.41Å; S2462-V2530 WeakPolarHBondContact OG-CG2 3.47Å | ||
| 2463 | V | 37 | Very low | 51.4 | Low | 105.8 Ų | 105.8 | 88.5 Ų | 88.5 | 64% | 0.641 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -59.4 | -3.5 | -174.8 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | K2461 C2465 M2466 | K2461-V2463 PolarHBondContact O-N 3.14Å; V2463-C2465 PolarHBondContact O-N 3.21Å; V2463-M2466 HydrophobicContact CG1-CE 4.35Å; V2463-M2466 WeakPolarHBondContact O-CB 3.41Å; V2463-M2466 PolarHBondContact O-N 2.86Å; V2463-M2466 VanDerWaalsContact O-N 3.09Å |
| 2464 | D | 37.3 | Very low | 50 | Low | 77.4 Ų | 77.4 | 86.7 Ų | 86.7 | 41% | 0.414 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -56 | -9.1 | 173.4 | -38.2 | -40.9 | 0 | 0 | 0 | 115 | S2462 M2466 V2530 Y2532 K2567 | S2462-D2464 WeakPolarHBondContact CB-OD2 3.4Å; S2462-D2464 PolarHBondContact O-N 2.84Å; S2462-D2464 VanDerWaalsContact O-N 3.14Å; S2462-D2464 VanDerWaalsContact OG-CG 3.3Å; S2462-D2464 PolarHBondContact OG-OD2 3.33Å; D2464-M2466 VanDerWaalsContact C-N 3.33Å; D2464-M2466 PolarHBondContact O-N 3.31Å; D2464-V2530 WeakPolarHBondContact O-CG1 3.45Å; D2464-Y2532 HydrophobicContact CB-CE2 3.77Å; D2464-Y2532 PolarHBondContact OD1-OH 3.44Å; D2464-K2567 IonicContact OD1-NZ 2.68Å; D2464-K2567 PolarHBondContact OD1-NZ 3.49Å; D2464-K2567 IonicContact OD2-NZ 3.73Å; D2464-K2567 PolarHBondContact OD2-NZ 3.48Å |
| 2465 | C | 35 | Very low | 49.1 | Very low | 32 Ų | 32 | 83 Ų | 83 | 22% | 0.216 | 46% | 0.455 | C | S | . | . | G | 310 helix | trans | -92.7 | 20.6 | 178.3 | -62.8 | 0 | 0 | 0 | 0 | 113.9 | K2461 S2462 V2463 W2467 N2468 D2569 | K2461-C2465 HydrophobicContact CB-CB 4.05Å; K2461-C2465 HydrophobicContact CD-CB 4.12Å; K2461-C2465 HydrophobicContact CG-CB 4.21Å; K2461-C2465 PolarHBondContact NZ-O 3Å; S2462-C2465 VanDerWaalsContact O-CB 3.24Å; S2462-C2465 WeakPolarHBondContact O-CB 3.36Å; S2462-C2465 PolarHBondContact O-N 3.11Å; S2462-C2465 PolarHBondContact OG-SG 3.33Å; S2462-C2465 VanDerWaalsContact OG-SG 3.41Å; V2463-C2465 PolarHBondContact O-N 3.21Å; C2465-W2467 PolarHBondContact O-N 3.12Å; C2465-N2468 PolarHBondContact O-N 3.03Å; C2465-D2569 PolarHBondContact SG-OD2 2.93Å |
| 2466 | M | 31.6 | Very low | 48.2 | Very low | 113.2 Ų | 113.2 | 81.9 Ų | 81.9 | 56% | 0.558 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -86.5 | 6 | -177.8 | -164.2 | 168.5 | 66 | 0 | 0 | 112.4 | V2463 D2464 N2468 Y2469 | V2463-M2466 HydrophobicContact CG1-CE 4.35Å; V2463-M2466 WeakPolarHBondContact O-CB 3.41Å; V2463-M2466 PolarHBondContact O-N 2.86Å; V2463-M2466 VanDerWaalsContact O-N 3.09Å; D2464-M2466 VanDerWaalsContact C-N 3.33Å; D2464-M2466 PolarHBondContact O-N 3.31Å; M2466-N2468 VanDerWaalsContact C-N 3.32Å; M2466-N2468 PolarHBondContact O-N 3.08Å; M2466-Y2469 PolarHBondContact O-N 2.86Å |
| 2467 | W | 35.2 | Very low | 47.6 | Very low | 135.2 Ų | 135.2 | 82.1 Ų | 82.1 | 51% | 0.512 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -89.1 | 48.6 | -179.7 | -66.9 | 104.5 | 0 | 0 | 0 | 114.7 | C2465 Y2469 I2472 L2477 W2480 E2531 Y2532 | C2465-W2467 PolarHBondContact O-N 3.12Å; W2467-Y2469 VanDerWaalsContact C-N 3.29Å; W2467-Y2469 PolarHBondContact O-N 3.19Å; W2467-I2472 HydrophobicContact CE3-CD1 4.13Å; W2467-I2472 HydrophobicContact CZ3-CD1 3.82Å; W2467-L2477 HydrophobicContact CE3-CD1 4.14Å; W2467-L2477 HydrophobicContact CZ3-CD1 3.68Å; W2467-L2477 HydrophobicContact CZ3-CG 4.13Å; W2467-W2480 HydrophobicContact CH2-CB 4.36Å; W2467-W2480 HydrophobicContact CH2-CD2 4.49Å; W2467-W2480 AromaticContact CH2-CE3 3.53Å; W2467-W2480 HydrophobicContact CH2-CE3 3.53Å; W2467-W2480 HydrophobicContact CH2-CZ3 4.25Å; W2467-W2480 HydrophobicContact CZ2-CE3 4.2Å; W2467-W2480 AromaticContact CZ3-CE3 3.92Å; W2467-W2480 HydrophobicContact CZ3-CE3 3.92Å; W2467-W2480 HydrophobicContact CZ3-CZ3 4.4Å; W2467-E2531 HydrophobicContact CD2-CG 4.49Å; W2467-E2531 HydrophobicContact CH2-CG 4.06Å; W2467-E2531 HydrophobicContact CZ2-CG 3.32Å; W2467-E2531 PolarHBondContact NE1-O 3.32Å; W2467-E2531 PolarHBondContact NE1-OE1 3.33Å; W2467-Y2532 HydrophobicContact CZ2-CE1 4.13Å |
| 2468 | N | 36.1 | Very low | 47 | Very low | 96.8 Ų | 96.8 | 80.8 Ų | 80.8 | 52% | 0.518 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -87.8 | 16.7 | 167.8 | -79.6 | 0 | 0 | 0 | 0 | 114.2 | C2465 M2466 L2470 D2471 D2569 K2573 | C2465-N2468 PolarHBondContact O-N 3.03Å; M2466-N2468 VanDerWaalsContact C-N 3.32Å; M2466-N2468 PolarHBondContact O-N 3.08Å; N2468-L2470 VanDerWaalsContact C-N 3.3Å; N2468-L2470 PolarHBondContact O-N 3.49Å; N2468-D2471 PolarHBondContact ND2-OD2 3.24Å; N2468-D2471 PolarHBondContact O-N 3.13Å; N2468-D2471 VanDerWaalsContact O-N 3.12Å; N2468-D2569 PolarHBondContact ND2-OD2 2.63Å; N2468-K2573 WeakPolarHBondContact OD1-CE 3.44Å; N2468-K2573 PolarHBondContact OD1-NZ 2.95Å |
| 2469 | Y | 37.3 | Very low | 46.7 | Very low | 124.4 Ų | 124.4 | 81.7 Ų | 81.7 | 49% | 0.488 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -88.9 | -3.9 | 175.3 | -83.8 | -83.8 | 0 | 0 | 0 | 115.4 | E2023 R2026 K2461 M2466 W2467 | E2023-Y2469 HydrophobicContact CB-CE1 3.79Å; E2023-Y2469 VanDerWaalsContact CD-OH 3.32Å; E2023-Y2469 HydrophobicContact CG-CE1 3.62Å; E2023-Y2469 PolarHBondContact OE1-OH 3.48Å; R2026-Y2469 PolarHBondContact NH2-OH 3Å; K2461-Y2469 PolarHBondContact NZ-OH 2.91Å; M2466-Y2469 PolarHBondContact O-N 2.86Å; W2467-Y2469 VanDerWaalsContact C-N 3.29Å; W2467-Y2469 PolarHBondContact O-N 3.19Å |
| 2470 | L | 37.2 | Very low | 47.1 | Very low | 115 Ų | 115 | 80.3 Ų | 80.3 | 60% | 0.602 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -116.8 | 36.8 | 174.4 | -108.3 | 90.3 | 0 | 0 | 0 | 111.8 | N2468 I2472 W2480 | N2468-L2470 VanDerWaalsContact C-N 3.3Å; N2468-L2470 PolarHBondContact O-N 3.49Å; L2470-I2472 VanDerWaalsContact C-N 3.26Å; L2470-I2472 HydrophobicContact CB-CD1 4.19Å; L2470-I2472 HydrophobicContact CB-CG1 3.63Å; L2470-I2472 HydrophobicContact CD2-CG1 4.41Å; L2470-I2472 PolarHBondContact O-N 2.99Å; L2470-W2480 HydrophobicContact CD2-CH2 3.29Å; L2470-W2480 HydrophobicContact CD2-CZ2 3.46Å; L2470-W2480 VanDerWaalsContact CD2-CZ2 3.46Å; L2470-W2480 HydrophobicContact CD2-CZ3 4.03Å |
| 2471 | D | 39.7 | Very low | 47.8 | Very low | 123.4 Ų | 123.4 | 73 Ų | 73 | 66% | 0.66 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -52.8 | 91.7 | 167.1 | -83.2 | -21.1 | 0 | 0 | 0 | 110.9 | K2075 N2468 P2473 | K2075-D2471 WeakPolarHBondContact CE-OD2 2.91Å; K2075-D2471 IonicContact NZ-OD2 3.84Å; K2075-D2471 PolarHBondContact NZ-OD2 3.22Å; N2468-D2471 PolarHBondContact ND2-OD2 3.24Å; N2468-D2471 PolarHBondContact O-N 3.13Å; N2468-D2471 VanDerWaalsContact O-N 3.12Å; D2471-P2473 VanDerWaalsContact O-CD 3.26Å; D2471-P2473 WeakPolarHBondContact O-CD 3.28Å; D2471-P2473 VanDerWaalsContact O-N 3.17Å |
| 2472 | I | 45.7 | Very low | 48.6 | Very low | 90 Ų | 90 | 73.1 Ų | 73.1 | 46% | 0.462 | 38% | 0.379 | S | S | . | . | trans | -71.7 | 113.8 | 166.8 | -55.8 | 173.5 | 0 | 0 | 0 | 106.1 | Y1693 W2467 L2470 S2474 R2476 L2477 | Y1693-I2472 WeakPolarHBondContact OH-CD1 3.43Å; Y1693-I2472 VanDerWaalsContact OH-CG1 3.26Å; Y1693-I2472 WeakPolarHBondContact OH-CG1 3.38Å; W2467-I2472 HydrophobicContact CE3-CD1 4.13Å; W2467-I2472 HydrophobicContact CZ3-CD1 3.82Å; L2470-I2472 VanDerWaalsContact C-N 3.26Å; L2470-I2472 HydrophobicContact CB-CD1 4.19Å; L2470-I2472 HydrophobicContact CB-CG1 3.63Å; L2470-I2472 HydrophobicContact CD2-CG1 4.41Å; L2470-I2472 PolarHBondContact O-N 2.99Å; I2472-S2474 PolarHBondContact O-N 3.24Å; I2472-S2474 VanDerWaalsContact O-N 3.13Å; I2472-R2476 HydrophobicContact CG2-CB 3.53Å; I2472-R2476 HydrophobicContact CG2-CG 4.27Å; I2472-L2477 HydrophobicContact CG2-CB 3.89Å | ||
| 2473 | P | 49.1 | Very low | 49.6 | Very low | 55.6 Ų | 55.6 | 74 Ų | 74 | 36% | 0.361 | 37% | 0.372 | S | S | . | . | trans | -65 | 114.2 | 173.7 | 12.7 | -10 | 0 | 0 | 0 | 108.3 | D2471 T2475 R2476 W2480 | D2471-P2473 VanDerWaalsContact O-CD 3.26Å; D2471-P2473 WeakPolarHBondContact O-CD 3.28Å; D2471-P2473 VanDerWaalsContact O-N 3.17Å; P2473-T2475 PolarHBondContact O-N 3.14Å; P2473-R2476 PolarHBondContact O-N 3.26Å; P2473-W2480 HydrophobicContact CB-CH2 4.44Å; P2473-W2480 HydrophobicContact CB-CZ2 3.85Å; P2473-W2480 HydrophobicContact CG-CZ2 4.16Å | ||
| 2474 | S | 50.3 | Low | 50.8 | Low | 34.2 Ų | 34.2 | 69.2 Ų | 69.2 | 24% | 0.239 | 34% | 0.344 | C | S | . | . | trans | -52.3 | 122.1 | -174 | 168.2 | 0 | 0 | 0 | 0 | 112.2 | I2472 R2476 E2478 D2479 W2480 | I2472-S2474 PolarHBondContact O-N 3.24Å; I2472-S2474 VanDerWaalsContact O-N 3.13Å; S2474-R2476 PolarHBondContact O-N 3.11Å; S2474-R2476 WeakPolarHBondContact OG-CB 3.35Å; S2474-R2476 PolarHBondContact OG-N 3.08Å; S2474-R2476 VanDerWaalsContact OG-N 3.15Å; S2474-E2478 PolarHBondContact O-N 3.34Å; S2474-D2479 VanDerWaalsContact CB-CG 3.48Å; S2474-D2479 WeakPolarHBondContact CB-OD2 3.3Å; S2474-D2479 PolarHBondContact OG-OD2 3Å; S2474-W2480 VanDerWaalsContact O-CD1 3.31Å; S2474-W2480 PolarHBondContact O-NE1 3.05Å | ||
| 2475 | T | 57.4 | Low | 52.2 | Low | 57.2 Ų | 57.2 | 71.7 Ų | 71.7 | 35% | 0.351 | 35% | 0.349 | S | S | . | . | trans | -75.3 | -10.5 | 173.6 | 50.9 | 0 | 0 | 0 | 0 | 112.8 | D2265 P2473 D2479 N2576 | D2265-T2475 HydrophobicContact CB-CG2 4.37Å; P2473-T2475 PolarHBondContact O-N 3.14Å; T2475-D2479 PolarHBondContact O-N 3.13Å; T2475-N2576 WeakPolarHBondContact CB-O 3.3Å; T2475-N2576 HydrophobicContact CG2-CB 4.35Å | ||
| 2476 | R | 58.2 | Low | 53.7 | Low | 43 Ų | 43 | 77.4 Ų | 77.4 | 16% | 0.162 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -76.1 | 131.1 | 177.8 | -59.2 | -174.7 | 173 | 127.8 | 5.2 | 111.5 | Y2259 L2264 D2265 I2472 P2473 S2474 E2478 D2479 W2480 | Y2259-R2476 PolarHBondContact O-NH1 3.49Å; L2264-R2476 PolarHBondContact O-NH2 3.22Å; D2265-R2476 IonicContact OD1-CZ 3.36Å; D2265-R2476 VanDerWaalsContact OD1-CZ 3.22Å; D2265-R2476 IonicContact OD1-NE 3.35Å; D2265-R2476 PolarHBondContact OD1-NE 3.27Å; D2265-R2476 IonicContact OD1-NH2 2.9Å; D2265-R2476 PolarHBondContact OD1-NH2 3.43Å; I2472-R2476 HydrophobicContact CG2-CB 3.53Å; I2472-R2476 HydrophobicContact CG2-CG 4.27Å; P2473-R2476 PolarHBondContact O-N 3.26Å; S2474-R2476 PolarHBondContact O-N 3.11Å; S2474-R2476 WeakPolarHBondContact OG-CB 3.35Å; S2474-R2476 PolarHBondContact OG-N 3.08Å; S2474-R2476 VanDerWaalsContact OG-N 3.15Å; R2476-E2478 VanDerWaalsContact C-N 3.3Å; R2476-E2478 HydrophobicContact CB-CB 4.3Å; R2476-E2478 PolarHBondContact O-N 3.05Å; R2476-D2479 PolarHBondContact O-N 2.93Å; R2476-W2480 PolarHBondContact O-N 3.4Å |
| 2477 | L | 62.1 | Low | 55.4 | Low | 19.8 Ų | 19.8 | 74.1 Ų | 74.1 | 10% | 0.104 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.5 | -36 | 175.4 | -163.3 | 83.2 | 0 | 0 | 0 | 111.4 | W2467 I2472 D2479 W2480 V2481 S2540 I2577 I2578 V2581 | W2467-L2477 HydrophobicContact CE3-CD1 4.14Å; W2467-L2477 HydrophobicContact CZ3-CD1 3.68Å; W2467-L2477 HydrophobicContact CZ3-CG 4.13Å; I2472-L2477 HydrophobicContact CG2-CB 3.89Å; L2477-D2479 VanDerWaalsContact C-N 3.33Å; L2477-D2479 PolarHBondContact O-N 3.15Å; L2477-W2480 CarbonylContact O-C 3.57Å; L2477-W2480 WeakPolarHBondContact O-CA 3.39Å; L2477-W2480 WeakPolarHBondContact O-CB 3.48Å; L2477-W2480 PolarHBondContact O-N 3.26Å; L2477-W2480 VanDerWaalsContact O-N 3.11Å; L2477-V2481 HydrophobicContact CD2-CG2 3.69Å; L2477-V2481 HydrophobicContact CG-CG2 4.26Å; L2477-V2481 VanDerWaalsContact O-CB 3.25Å; L2477-V2481 WeakPolarHBondContact O-CB 3.33Å; L2477-V2481 WeakPolarHBondContact O-CG2 3.34Å; L2477-V2481 PolarHBondContact O-N 3.22Å; L2477-S2540 WeakPolarHBondContact CD1-OG 3.42Å; L2477-I2577 HydrophobicContact CD1-CD1 4.13Å; L2477-I2577 HydrophobicContact CD1-CG1 4.5Å; L2477-I2577 HydrophobicContact CD1-CG2 4.3Å; L2477-I2577 HydrophobicContact CD2-CD1 3.35Å; L2477-I2577 HydrophobicContact CD2-CG1 3.76Å; L2477-I2577 HydrophobicContact CD2-CG2 4.14Å; L2477-I2577 HydrophobicContact CG-CD1 4.37Å; L2477-I2578 HydrophobicContact CD1-CD1 3.76Å; L2477-I2578 HydrophobicContact CD1-CG1 4.36Å; L2477-V2581 HydrophobicContact CB-CG2 4.49Å; L2477-V2581 HydrophobicContact CD1-CG2 4.3Å; L2477-V2581 HydrophobicContact CD2-CG2 4.34Å |
| 2478 | E | 64.6 | Low | 56.9 | Low | 66.2 Ų | 66.2 | 74 Ų | 74 | 31% | 0.309 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -53.9 | -48 | 178.1 | -74.4 | 146.5 | 179.4 | 0 | 0 | 113.2 | S2474 R2476 W2480 V2481 L2482 R2547 | S2474-E2478 PolarHBondContact O-N 3.34Å; R2476-E2478 VanDerWaalsContact C-N 3.3Å; R2476-E2478 HydrophobicContact CB-CB 4.3Å; R2476-E2478 PolarHBondContact O-N 3.05Å; E2478-W2480 VanDerWaalsContact C-N 3.3Å; E2478-W2480 PolarHBondContact O-N 2.99Å; E2478-V2481 CarbonylContact O-C 3.54Å; E2478-V2481 WeakPolarHBondContact O-CB 3.35Å; E2478-V2481 PolarHBondContact O-N 2.99Å; E2478-V2481 VanDerWaalsContact O-N 3.11Å; E2478-L2482 HydrophobicContact CB-CD1 4.3Å; E2478-L2482 WeakPolarHBondContact O-CB 3.37Å; E2478-L2482 WeakPolarHBondContact O-CD1 3.38Å; E2478-L2482 WeakPolarHBondContact O-CG 3.31Å; E2478-L2482 PolarHBondContact O-N 3.39Å; E2478-R2547 VanDerWaalsContact CD-CZ 3.49Å; E2478-R2547 VanDerWaalsContact CG-NH1 3.29Å; E2478-R2547 VanDerWaalsContact CG-NH2 3.28Å; E2478-R2547 IonicContact OE1-CZ 3.22Å; E2478-R2547 IonicContact OE1-NH1 3.45Å; E2478-R2547 PolarHBondContact OE1-NH1 3.02Å; E2478-R2547 IonicContact OE1-NH2 3.21Å; E2478-R2547 PolarHBondContact OE1-NH2 3.11Å; E2478-R2547 IonicContact OE2-CZ 3.03Å; E2478-R2547 IonicContact OE2-NH1 3.26Å; E2478-R2547 IonicContact OE2-NH2 3.61Å; E2478-R2547 PolarHBondContact OE2-NH2 3.45Å; E2478-R2547 VanDerWaalsContact OE2-NH2 3.11Å |
| 2479 | D | 66 | Low | 58.4 | Low | 45.8 Ų | 45.8 | 75 Ų | 75 | 25% | 0.245 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.3 | -29.7 | -178.7 | -74.2 | -50.6 | 0 | 0 | 0 | 112.2 | S2474 T2475 R2476 L2477 R2483 | S2474-D2479 VanDerWaalsContact CB-CG 3.48Å; S2474-D2479 WeakPolarHBondContact CB-OD2 3.3Å; S2474-D2479 PolarHBondContact OG-OD2 3Å; T2475-D2479 PolarHBondContact O-N 3.13Å; R2476-D2479 PolarHBondContact O-N 2.93Å; L2477-D2479 VanDerWaalsContact C-N 3.33Å; L2477-D2479 PolarHBondContact O-N 3.15Å; D2479-R2483 VanDerWaalsContact CG-NH2 3.33Å; D2479-R2483 VanDerWaalsContact O-CB 3.3Å; D2479-R2483 WeakPolarHBondContact O-CB 3.36Å; D2479-R2483 VanDerWaalsContact O-CD 3.23Å; D2479-R2483 WeakPolarHBondContact O-CD 3.49Å; D2479-R2483 WeakPolarHBondContact O-CG 3.2Å; D2479-R2483 PolarHBondContact O-N 2.78Å; D2479-R2483 PolarHBondContact O-NE 3.32Å; D2479-R2483 IonicContact OD1-CZ 2.62Å; D2479-R2483 VanDerWaalsContact OD1-CZ 3.27Å; D2479-R2483 IonicContact OD1-NE 3.1Å; D2479-R2483 PolarHBondContact OD1-NE 2.92Å; D2479-R2483 IonicContact OD1-NH2 3.19Å; D2479-R2483 PolarHBondContact OD1-NH2 3.36Å; D2479-R2483 IonicContact OD2-CZ 3.51Å; D2479-R2483 IonicContact OD2-NE 2.81Å; D2479-R2483 IonicContact OD2-NH2 2.82Å; D2479-R2483 PolarHBondContact OD2-NH2 2.89Å; D2479-R2483 VanDerWaalsContact OD2-NH2 3.11Å |
| 2480 | W | 66 | Low | 60.1 | Low | 32.6 Ų | 32.6 | 70.5 Ų | 70.5 | 12% | 0.123 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -83.3 | -30.2 | 176.2 | -71.2 | 83.2 | 0 | 0 | 0 | 113 | W2467 L2470 P2473 S2474 R2476 L2477 E2478 L2482 G2484 Y2532 P2533 I2536 I2577 | W2467-W2480 HydrophobicContact CH2-CB 4.36Å; W2467-W2480 HydrophobicContact CH2-CD2 4.49Å; W2467-W2480 AromaticContact CH2-CE3 3.53Å; W2467-W2480 HydrophobicContact CH2-CE3 3.53Å; W2467-W2480 HydrophobicContact CH2-CZ3 4.25Å; W2467-W2480 HydrophobicContact CZ2-CE3 4.2Å; W2467-W2480 AromaticContact CZ3-CE3 3.92Å; W2467-W2480 HydrophobicContact CZ3-CE3 3.92Å; W2467-W2480 HydrophobicContact CZ3-CZ3 4.4Å; L2470-W2480 HydrophobicContact CD2-CH2 3.29Å; L2470-W2480 HydrophobicContact CD2-CZ2 3.46Å; L2470-W2480 VanDerWaalsContact CD2-CZ2 3.46Å; L2470-W2480 HydrophobicContact CD2-CZ3 4.03Å; P2473-W2480 HydrophobicContact CB-CH2 4.44Å; P2473-W2480 HydrophobicContact CB-CZ2 3.85Å; P2473-W2480 HydrophobicContact CG-CZ2 4.16Å; S2474-W2480 VanDerWaalsContact O-CD1 3.31Å; S2474-W2480 PolarHBondContact O-NE1 3.05Å; R2476-W2480 PolarHBondContact O-N 3.4Å; L2477-W2480 CarbonylContact O-C 3.57Å; L2477-W2480 WeakPolarHBondContact O-CA 3.39Å; L2477-W2480 WeakPolarHBondContact O-CB 3.48Å; L2477-W2480 PolarHBondContact O-N 3.26Å; L2477-W2480 VanDerWaalsContact O-N 3.11Å; E2478-W2480 VanDerWaalsContact C-N 3.3Å; E2478-W2480 PolarHBondContact O-N 2.99Å; W2480-L2482 VanDerWaalsContact C-N 3.35Å; W2480-G2484 WeakPolarHBondContact O-CA 3.29Å; W2480-G2484 PolarHBondContact O-N 3.18Å; W2480-Y2532 HydrophobicContact CH2-CE1 4.5Å; W2480-Y2532 AromaticContact CZ3-CD1 3.88Å; W2480-Y2532 HydrophobicContact CZ3-CD1 4.12Å; W2480-Y2532 HydrophobicContact CZ3-CE1 4.06Å; W2480-P2533 HydrophobicContact CE3-CB 4.16Å; W2480-P2533 HydrophobicContact CE3-CG 4.49Å; W2480-P2533 HydrophobicContact CH2-CB 3.86Å; W2480-P2533 HydrophobicContact CH2-CG 3.98Å; W2480-P2533 HydrophobicContact CZ3-CB 3.3Å; W2480-P2533 HydrophobicContact CZ3-CG 3.81Å; W2480-I2536 HydrophobicContact CB-CG2 4.48Å; W2480-I2536 HydrophobicContact CD2-CG2 4.29Å; W2480-I2536 HydrophobicContact CE3-CG2 4.22Å; W2480-I2536 HydrophobicContact CG-CG2 4.41Å; W2480-I2577 HydrophobicContact CB-CG2 4.42Å; W2480-I2577 HydrophobicContact CD2-CD1 3.99Å; W2480-I2577 HydrophobicContact CG-CD1 4.33Å; W2480-I2577 HydrophobicContact CG-CG2 3.97Å; W2480-I2577 HydrophobicContact CH2-CD1 4.35Å; W2480-I2577 HydrophobicContact CZ2-CD1 3.56Å; W2480-I2577 VanDerWaalsContact CZ2-CD1 3.5Å; W2480-I2577 VanDerWaalsContact NE1-CD1 3.32Å |
| 2481 | V | 66.1 | Low | 61.8 | Low | 7.8 Ų | 7.8 | 71.2 Ų | 71.2 | 5% | 0.047 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.3 | -46.3 | 168 | 171 | 0 | 0 | 0 | 0 | 110.3 | L2477 E2478 R2483 G2484 Y2485 F2487 C2537 S2540 D2544 | L2477-V2481 HydrophobicContact CD2-CG2 3.69Å; L2477-V2481 HydrophobicContact CG-CG2 4.26Å; L2477-V2481 VanDerWaalsContact O-CB 3.25Å; L2477-V2481 WeakPolarHBondContact O-CB 3.33Å; L2477-V2481 WeakPolarHBondContact O-CG2 3.34Å; L2477-V2481 PolarHBondContact O-N 3.22Å; E2478-V2481 CarbonylContact O-C 3.54Å; E2478-V2481 WeakPolarHBondContact O-CB 3.35Å; E2478-V2481 PolarHBondContact O-N 2.99Å; E2478-V2481 VanDerWaalsContact O-N 3.11Å; V2481-R2483 PolarHBondContact O-N 3.4Å; V2481-G2484 CarbonylContact O-C 3.55Å; V2481-G2484 WeakPolarHBondContact O-CA 3.34Å; V2481-G2484 PolarHBondContact O-N 3.15Å; V2481-G2484 VanDerWaalsContact O-N 3.11Å; V2481-Y2485 HydrophobicContact CG1-CD2 3.81Å; V2481-Y2485 HydrophobicContact CG1-CE2 3.52Å; V2481-Y2485 VanDerWaalsContact CG1-CE2 3.49Å; V2481-Y2485 VanDerWaalsContact O-CD2 3.24Å; V2481-Y2485 WeakPolarHBondContact O-CD2 3.3Å; V2481-Y2485 PolarHBondContact O-N 3.1Å; V2481-F2487 HydrophobicContact CG1-CZ 4.48Å; V2481-F2487 VanDerWaalsContact O-CE1 3.24Å; V2481-F2487 WeakPolarHBondContact O-CE1 3.35Å; V2481-F2487 WeakPolarHBondContact O-CZ 3.48Å; V2481-C2537 HydrophobicContact CG1-CB 4.34Å; V2481-S2540 WeakPolarHBondContact CG2-O 3.46Å; V2481-D2544 HydrophobicContact CG1-CB 4.16Å; V2481-D2544 VanDerWaalsContact CG1-CG 3.49Å; V2481-D2544 HydrophobicContact CG2-CB 3.8Å; V2481-D2544 WeakPolarHBondContact CG2-OD1 3.3Å |
| 2482 | L | 66.2 | Low | 63.3 | Low | 95 Ų | 95 | 68.9 Ų | 68.9 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 178.2 | -72.9 | 167.1 | 0 | 0 | 0 | 112.1 | E2478 W2480 G2484 Y2485 Q2486 | E2478-L2482 HydrophobicContact CB-CD1 4.3Å; E2478-L2482 WeakPolarHBondContact O-CB 3.37Å; E2478-L2482 WeakPolarHBondContact O-CD1 3.38Å; E2478-L2482 WeakPolarHBondContact O-CG 3.31Å; E2478-L2482 PolarHBondContact O-N 3.39Å; W2480-L2482 VanDerWaalsContact C-N 3.35Å; L2482-G2484 VanDerWaalsContact C-N 3.31Å; L2482-G2484 PolarHBondContact O-N 2.99Å; L2482-Y2485 PolarHBondContact O-N 2.93Å; L2482-Q2486 WeakPolarHBondContact O-CG 3.35Å; L2482-Q2486 PolarHBondContact O-N 3.29Å |
| 2483 | R | 64.5 | Low | 64.7 | Low | 82.8 Ų | 82.8 | 64.9 Ų | 64.9 | 31% | 0.312 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.7 | -33.7 | 172.8 | -72.2 | 173.5 | -156.9 | -141 | 1.3 | 112.3 | D2479 V2481 Y2485 Q2486 F2487 Y2532 | D2479-R2483 VanDerWaalsContact CG-NH2 3.33Å; D2479-R2483 VanDerWaalsContact O-CB 3.3Å; D2479-R2483 WeakPolarHBondContact O-CB 3.36Å; D2479-R2483 VanDerWaalsContact O-CD 3.23Å; D2479-R2483 WeakPolarHBondContact O-CD 3.49Å; D2479-R2483 WeakPolarHBondContact O-CG 3.2Å; D2479-R2483 PolarHBondContact O-N 2.78Å; D2479-R2483 PolarHBondContact O-NE 3.32Å; D2479-R2483 IonicContact OD1-CZ 2.62Å; D2479-R2483 VanDerWaalsContact OD1-CZ 3.27Å; D2479-R2483 IonicContact OD1-NE 3.1Å; D2479-R2483 PolarHBondContact OD1-NE 2.92Å; D2479-R2483 IonicContact OD1-NH2 3.19Å; D2479-R2483 PolarHBondContact OD1-NH2 3.36Å; D2479-R2483 IonicContact OD2-CZ 3.51Å; D2479-R2483 IonicContact OD2-NE 2.81Å; D2479-R2483 IonicContact OD2-NH2 2.82Å; D2479-R2483 PolarHBondContact OD2-NH2 2.89Å; D2479-R2483 VanDerWaalsContact OD2-NH2 3.11Å; V2481-R2483 PolarHBondContact O-N 3.4Å; R2483-Y2485 VanDerWaalsContact C-N 3.3Å; R2483-Y2485 WeakPolarHBondContact O-CD2 3.16Å; R2483-Y2485 PolarHBondContact O-N 3.18Å; R2483-Q2486 WeakPolarHBondContact O-CB 3.33Å; R2483-Q2486 PolarHBondContact O-N 3.04Å; R2483-Q2486 VanDerWaalsContact O-N 3.15Å; R2483-F2487 HydrophobicContact CB-CD2 4.43Å; R2483-F2487 HydrophobicContact CB-CE2 4.37Å; R2483-F2487 WeakPolarHBondContact O-CD2 3.38Å; R2483-F2487 PolarHBondContact O-N 2.95Å; R2483-Y2532 HydrophobicContact CB-CE1 4.38Å; R2483-Y2532 VanDerWaalsContact CD-CE1 3.49Å; R2483-Y2532 HydrophobicContact CG-CD1 4.29Å; R2483-Y2532 HydrophobicContact CG-CE1 4.26Å; R2483-Y2532 PolarHBondContact NH1-OH 3.12Å |
| 2484 | G | 61.5 | Low | 66.2 | Low | 5 Ų | 5 | 65.4 Ų | 65.4 | 5% | 0.052 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.7 | -27.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | W2480 V2481 L2482 Q2486 F2487 R2488 M2541 | W2480-G2484 WeakPolarHBondContact O-CA 3.29Å; W2480-G2484 PolarHBondContact O-N 3.18Å; V2481-G2484 CarbonylContact O-C 3.55Å; V2481-G2484 WeakPolarHBondContact O-CA 3.34Å; V2481-G2484 PolarHBondContact O-N 3.15Å; V2481-G2484 VanDerWaalsContact O-N 3.11Å; L2482-G2484 VanDerWaalsContact C-N 3.31Å; L2482-G2484 PolarHBondContact O-N 2.99Å; G2484-Q2486 VanDerWaalsContact C-N 3.32Å; G2484-Q2486 PolarHBondContact O-N 3.26Å; G2484-F2487 WeakPolarHBondContact O-CD1 3.44Å; G2484-F2487 WeakPolarHBondContact O-CE1 3.48Å; G2484-F2487 PolarHBondContact O-N 3.22Å; G2484-R2488 PolarHBondContact O-N 3.17Å; G2484-M2541 VanDerWaalsContact CA-SD 3.5Å; G2484-M2541 WeakPolarHBondContact CA-SD 3.41Å; G2484-M2541 VanDerWaalsContact O-SD 3.38Å |
| 2485 | Y | 66.6 | Low | 67.6 | Low | 131.6 Ų | 131.6 | 68.6 Ų | 68.6 | 52% | 0.516 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.8 | -33.2 | 174.6 | -79.9 | -72.7 | 0 | 0 | 0 | 113.3 | V2481 L2482 R2483 R2488 M2541 | V2481-Y2485 HydrophobicContact CG1-CD2 3.81Å; V2481-Y2485 HydrophobicContact CG1-CE2 3.52Å; V2481-Y2485 VanDerWaalsContact CG1-CE2 3.49Å; V2481-Y2485 VanDerWaalsContact O-CD2 3.24Å; V2481-Y2485 WeakPolarHBondContact O-CD2 3.3Å; V2481-Y2485 PolarHBondContact O-N 3.1Å; L2482-Y2485 PolarHBondContact O-N 2.93Å; R2483-Y2485 VanDerWaalsContact C-N 3.3Å; R2483-Y2485 WeakPolarHBondContact O-CD2 3.16Å; R2483-Y2485 PolarHBondContact O-N 3.18Å; Y2485-R2488 VanDerWaalsContact O-CB 3.25Å; Y2485-R2488 WeakPolarHBondContact O-CB 3.37Å; Y2485-R2488 PolarHBondContact O-N 3.12Å; Y2485-M2541 HydrophobicContact CD1-CE 3.44Å; Y2485-M2541 VanDerWaalsContact CD1-CE 3.44Å; Y2485-M2541 HydrophobicContact CD2-CE 4.15Å; Y2485-M2541 HydrophobicContact CE1-CE 3.53Å; Y2485-M2541 VanDerWaalsContact CE1-CE 3.47Å; Y2485-M2541 HydrophobicContact CE2-CE 4.23Å; Y2485-M2541 HydrophobicContact CG-CE 3.76Å |
| 2486 | Q | 66.2 | Low | 68.6 | Low | 150 Ų | 150 | 65.9 Ų | 65.9 | 70% | 0.701 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -66.2 | -38.5 | 176.7 | -70.3 | 171.6 | -14.1 | 0 | 0 | 113 | L2482 R2483 G2484 R2488 | L2482-Q2486 WeakPolarHBondContact O-CG 3.35Å; L2482-Q2486 PolarHBondContact O-N 3.29Å; R2483-Q2486 WeakPolarHBondContact O-CB 3.33Å; R2483-Q2486 PolarHBondContact O-N 3.04Å; R2483-Q2486 VanDerWaalsContact O-N 3.15Å; G2484-Q2486 VanDerWaalsContact C-N 3.32Å; G2484-Q2486 PolarHBondContact O-N 3.26Å; Q2486-R2488 VanDerWaalsContact C-N 3.32Å; Q2486-R2488 PolarHBondContact O-N 3.22Å |
| 2487 | F | 67 | Low | 69.8 | Low | 45.4 Ų | 45.4 | 69.5 Ų | 69.5 | 20% | 0.199 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -86.1 | -5.9 | -179.8 | -53.6 | -71 | 0 | 0 | 0 | 114.2 | V2481 R2483 G2484 D2489 S2490 F2493 E2531 Y2532 F2534 C2537 M2541 | V2481-F2487 HydrophobicContact CG1-CZ 4.48Å; V2481-F2487 VanDerWaalsContact O-CE1 3.24Å; V2481-F2487 WeakPolarHBondContact O-CE1 3.35Å; V2481-F2487 WeakPolarHBondContact O-CZ 3.48Å; R2483-F2487 HydrophobicContact CB-CD2 4.43Å; R2483-F2487 HydrophobicContact CB-CE2 4.37Å; R2483-F2487 WeakPolarHBondContact O-CD2 3.38Å; R2483-F2487 PolarHBondContact O-N 2.95Å; G2484-F2487 WeakPolarHBondContact O-CD1 3.44Å; G2484-F2487 WeakPolarHBondContact O-CE1 3.48Å; G2484-F2487 PolarHBondContact O-N 3.22Å; F2487-D2489 PolarHBondContact O-N 2.97Å; F2487-D2489 VanDerWaalsContact O-N 3.09Å; F2487-S2490 WeakPolarHBondContact O-CB 3.31Å; F2487-S2490 PolarHBondContact O-N 3.13Å; F2487-S2490 VanDerWaalsContact O-N 3.13Å; F2487-S2490 PolarHBondContact O-OG 3.1Å; F2487-S2490 VanDerWaalsContact O-OG 3.09Å; F2487-F2493 HydrophobicContact CD2-CD2 4.5Å; F2487-F2493 HydrophobicContact CE2-CZ 4.5Å; F2487-F2493 VanDerWaalsContact O-CB 3.28Å; F2487-F2493 WeakPolarHBondContact O-CB 3.34Å; F2487-E2531 VanDerWaalsContact CZ-OE2 3.28Å; F2487-E2531 WeakPolarHBondContact CZ-OE2 3.26Å; F2487-Y2532 HydrophobicContact CD2-CD1 4.29Å; F2487-Y2532 HydrophobicContact CD2-CD2 4.34Å; F2487-Y2532 HydrophobicContact CD2-CG 4.27Å; F2487-Y2532 HydrophobicContact CE1-CD2 4.29Å; F2487-Y2532 AromaticContact CE2-CD1 3.52Å; F2487-Y2532 HydrophobicContact CE2-CD1 3.52Å; F2487-Y2532 AromaticContact CE2-CD2 3.63Å; F2487-Y2532 HydrophobicContact CE2-CD2 3.8Å; F2487-Y2532 AromaticContact CE2-CE1 3.77Å; F2487-Y2532 HydrophobicContact CE2-CE1 3.88Å; F2487-Y2532 AromaticContact CE2-CE2 3.57Å; F2487-Y2532 HydrophobicContact CE2-CE2 4.15Å; F2487-Y2532 AromaticContact CE2-CG 3.48Å; F2487-Y2532 HydrophobicContact CE2-CG 3.48Å; F2487-Y2532 VanDerWaalsContact CE2-CG 3.47Å; F2487-Y2532 AromaticContact CE2-CZ 3.84Å; F2487-Y2532 AromaticContact CZ-CD1 3.86Å; F2487-Y2532 HydrophobicContact CZ-CD1 3.86Å; F2487-Y2532 AromaticContact CZ-CD2 3.53Å; F2487-Y2532 HydrophobicContact CZ-CD2 3.53Å; F2487-Y2532 VanDerWaalsContact CZ-CD2 3.48Å; F2487-Y2532 AromaticContact CZ-CE1 3.85Å; F2487-Y2532 HydrophobicContact CZ-CE1 4.08Å; F2487-Y2532 AromaticContact CZ-CE2 3.77Å; F2487-Y2532 HydrophobicContact CZ-CE2 3.77Å; F2487-Y2532 VanDerWaalsContact CZ-CE2 3.47Å; F2487-Y2532 AromaticContact CZ-CG 3.72Å; F2487-Y2532 HydrophobicContact CZ-CG 3.72Å; F2487-Y2532 AromaticContact CZ-CZ 3.96Å; F2487-F2534 HydrophobicContact CB-CD1 4.42Å; F2487-F2534 HydrophobicContact CB-CE1 3.88Å; F2487-F2534 HydrophobicContact CB-CZ 4.01Å; F2487-F2534 AromaticContact CD1-CE1 3.92Å; F2487-F2534 HydrophobicContact CD1-CE1 3.98Å; F2487-F2534 HydrophobicContact CD1-CZ 4.26Å; F2487-F2534 HydrophobicContact CD2-CE1 4.24Å; F2487-F2534 HydrophobicContact CE1-CE1 4.38Å; F2487-F2534 HydrophobicContact CG-CD1 4.42Å; F2487-F2534 AromaticContact CG-CE1 3.77Å; F2487-F2534 HydrophobicContact CG-CE1 3.77Å; F2487-F2534 HydrophobicContact CG-CZ 4.14Å; F2487-C2537 HydrophobicContact CE2-CB 4.03Å; F2487-C2537 HydrophobicContact CZ-CB 4.45Å; F2487-M2541 HydrophobicContact CE2-SD 4.24Å |
| 2488 | R | 66.4 | Low | 71 | Confident | 132.4 Ų | 132.4 | 74.2 Ų | 74.2 | 50% | 0.5 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -34.2 | -178.7 | -168.2 | -178.5 | 170.5 | 177.6 | -1.7 | 113.1 | G2484 Y2485 Q2486 M2541 | G2484-R2488 PolarHBondContact O-N 3.17Å; Y2485-R2488 VanDerWaalsContact O-CB 3.25Å; Y2485-R2488 WeakPolarHBondContact O-CB 3.37Å; Y2485-R2488 PolarHBondContact O-N 3.12Å; Q2486-R2488 VanDerWaalsContact C-N 3.32Å; Q2486-R2488 PolarHBondContact O-N 3.22Å; R2488-M2541 HydrophobicContact CG-CE 4.49Å; R2488-M2541 HydrophobicContact CG-SD 4.48Å; R2488-M2541 VanDerWaalsContact CZ-CE 3.5Å |
| 2489 | D | 68.1 | Low | 71.9 | Confident | 118.4 Ų | 118.4 | 73 Ų | 73 | 63% | 0.633 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -0.8 | -177.6 | -66.2 | -39.7 | 0 | 0 | 0 | 114 | F2487 E2491 K2494 | F2487-D2489 PolarHBondContact O-N 2.97Å; F2487-D2489 VanDerWaalsContact O-N 3.09Å; D2489-E2491 PolarHBondContact O-N 2.9Å; D2489-K2494 VanDerWaalsContact C-CE 3.42Å; D2489-K2494 VanDerWaalsContact CA-CE 3.45Å; D2489-K2494 WeakPolarHBondContact O-CE 3.34Å; D2489-K2494 PolarHBondContact O-NZ 3.1Å |
| 2490 | S | 72.7 | Confident | 73 | Confident | 28.8 Ų | 28.8 | 74.4 Ų | 74.4 | 20% | 0.201 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -69.8 | 136.9 | 171 | 98.2 | 0 | 0 | 0 | 0 | 111.1 | F2487 E2492 F2493 K2494 F2534 | F2487-S2490 WeakPolarHBondContact O-CB 3.31Å; F2487-S2490 PolarHBondContact O-N 3.13Å; F2487-S2490 VanDerWaalsContact O-N 3.13Å; F2487-S2490 PolarHBondContact O-OG 3.1Å; F2487-S2490 VanDerWaalsContact O-OG 3.09Å; S2490-E2492 VanDerWaalsContact C-N 3.27Å; S2490-E2492 VanDerWaalsContact CB-OE2 3.29Å; S2490-E2492 WeakPolarHBondContact CB-OE2 2.99Å; S2490-E2492 PolarHBondContact O-N 3.05Å; S2490-E2492 PolarHBondContact OG-N 3.12Å; S2490-E2492 PolarHBondContact OG-OE2 3.01Å; S2490-F2493 PolarHBondContact O-N 3.04Å; S2490-F2493 VanDerWaalsContact O-N 3.14Å; S2490-F2493 VanDerWaalsContact OG-CB 3.28Å; S2490-F2493 WeakPolarHBondContact OG-CB 3.35Å; S2490-F2493 PolarHBondContact OG-N 3.22Å; S2490-F2493 VanDerWaalsContact OG-N 3.09Å; S2490-K2494 VanDerWaalsContact O-CG 3.3Å; S2490-K2494 WeakPolarHBondContact O-CG 3.35Å; S2490-K2494 PolarHBondContact O-N 3.05Å; S2490-K2494 VanDerWaalsContact O-N 3.12Å; S2490-F2534 WeakPolarHBondContact OG-CE2 3.03Å |
| 2491 | E | 74.3 | Confident | 74 | Confident | 130 Ų | 130 | 72.8 Ų | 72.8 | 61% | 0.607 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.3 | -32.6 | 178.4 | -66.8 | -53.5 | 129 | 0 | 0 | 112.1 | D2489 F2493 K2494 H2495 | D2489-E2491 PolarHBondContact O-N 2.9Å; E2491-F2493 VanDerWaalsContact C-N 3.35Å; E2491-F2493 PolarHBondContact O-N 2.75Å; E2491-K2494 PolarHBondContact O-N 3.12Å; E2491-K2494 WeakPolarHBondContact OE1-CD 3.35Å; E2491-K2494 WeakPolarHBondContact OE1-CE 3.4Å; E2491-K2494 IonicContact OE1-NZ 3.21Å; E2491-K2494 PolarHBondContact OE1-NZ 3.31Å; E2491-H2495 VanDerWaalsContact O-CB 3.25Å; E2491-H2495 WeakPolarHBondContact O-CB 3.42Å; E2491-H2495 PolarHBondContact O-N 3.05Å |
| 2492 | E | 70 | Confident | 75.3 | Confident | 74.4 Ų | 74.4 | 73.3 Ų | 73.3 | 35% | 0.348 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.2 | -40 | 176.6 | -56.8 | 130.5 | 169.6 | 0 | 0 | 112 | S2490 H2495 L2496 R2529 V2530 F2534 | S2490-E2492 VanDerWaalsContact C-N 3.27Å; S2490-E2492 VanDerWaalsContact CB-OE2 3.29Å; S2490-E2492 WeakPolarHBondContact CB-OE2 2.99Å; S2490-E2492 PolarHBondContact O-N 3.05Å; S2490-E2492 PolarHBondContact OG-N 3.12Å; S2490-E2492 PolarHBondContact OG-OE2 3.01Å; E2492-H2495 PolarHBondContact O-N 3.36Å; E2492-L2496 WeakPolarHBondContact O-CB 3.28Å; E2492-L2496 PolarHBondContact O-N 3.02Å; E2492-R2529 VanDerWaalsContact CD-NH1 3.28Å; E2492-R2529 IonicContact OE1-CZ 3.07Å; E2492-R2529 VanDerWaalsContact OE1-CZ 3.28Å; E2492-R2529 IonicContact OE1-NE 2.92Å; E2492-R2529 IonicContact OE1-NH1 2.78Å; E2492-R2529 PolarHBondContact OE1-NH1 2.85Å; E2492-R2529 VanDerWaalsContact OE1-NH1 3.14Å; E2492-R2529 IonicContact OE1-NH2 2.89Å; E2492-R2529 PolarHBondContact OE1-NH2 3.21Å; E2492-R2529 IonicContact OE2-CZ 3.07Å; E2492-R2529 IonicContact OE2-NE 2.75Å; E2492-R2529 PolarHBondContact OE2-NE 2.89Å; E2492-R2529 IonicContact OE2-NH1 3.66Å; E2492-R2529 PolarHBondContact OE2-NH1 3.29Å; E2492-R2529 IonicContact OE2-NH2 2.79Å; E2492-R2529 PolarHBondContact OE2-NH2 3.12Å; E2492-V2530 HydrophobicContact CG-CG2 4.22Å; E2492-F2534 HydrophobicContact CB-CD2 4.38Å; E2492-F2534 HydrophobicContact CB-CE2 3.89Å; E2492-F2534 HydrophobicContact CB-CZ 4.17Å; E2492-F2534 WeakPolarHBondContact OE2-CE2 3.37Å; E2492-F2534 VanDerWaalsContact OE2-CZ 3.28Å; E2492-F2534 WeakPolarHBondContact OE2-CZ 3.13Å |
| 2493 | F | 75.4 | Confident | 76.6 | Confident | 6.2 Ų | 6.2 | 70.5 Ų | 70.5 | 3% | 0.027 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -72.1 | -40.7 | 176.1 | -173.2 | -96 | 0 | 0 | 0 | 111.8 | F2487 S2490 E2491 H2495 L2496 K2497 F2534 C2537 L2538 M2541 | F2487-F2493 HydrophobicContact CD2-CD2 4.5Å; F2487-F2493 HydrophobicContact CE2-CZ 4.5Å; F2487-F2493 VanDerWaalsContact O-CB 3.28Å; F2487-F2493 WeakPolarHBondContact O-CB 3.34Å; S2490-F2493 PolarHBondContact O-N 3.04Å; S2490-F2493 VanDerWaalsContact O-N 3.14Å; S2490-F2493 VanDerWaalsContact OG-CB 3.28Å; S2490-F2493 WeakPolarHBondContact OG-CB 3.35Å; S2490-F2493 PolarHBondContact OG-N 3.22Å; S2490-F2493 VanDerWaalsContact OG-N 3.09Å; E2491-F2493 VanDerWaalsContact C-N 3.35Å; E2491-F2493 PolarHBondContact O-N 2.75Å; F2493-H2495 VanDerWaalsContact C-N 3.31Å; F2493-H2495 PolarHBondContact O-N 3.32Å; F2493-L2496 PolarHBondContact O-N 3.27Å; F2493-K2497 WeakPolarHBondContact O-CB 3.3Å; F2493-K2497 PolarHBondContact O-N 3.15Å; F2493-F2534 HydrophobicContact CB-CD1 4.25Å; F2493-F2534 HydrophobicContact CB-CD2 3.96Å; F2493-F2534 HydrophobicContact CB-CE1 4.24Å; F2493-F2534 HydrophobicContact CB-CE2 3.92Å; F2493-F2534 HydrophobicContact CB-CG 4.42Å; F2493-F2534 HydrophobicContact CB-CZ 4.35Å; F2493-F2534 HydrophobicContact CD2-CB 4.04Å; F2493-F2534 AromaticContact CD2-CD1 3.91Å; F2493-F2534 HydrophobicContact CD2-CD1 4.04Å; F2493-F2534 HydrophobicContact CD2-CD2 4.23Å; F2493-F2534 AromaticContact CD2-CG 3.86Å; F2493-F2534 HydrophobicContact CD2-CG 4.15Å; F2493-F2534 HydrophobicContact CE2-CB 4.49Å; F2493-F2534 HydrophobicContact CG-CD1 4.46Å; F2493-C2537 HydrophobicContact CE2-CB 4.01Å; F2493-L2538 HydrophobicContact CE2-CB 3.98Å; F2493-L2538 HydrophobicContact CE2-CD1 4.39Å; F2493-L2538 HydrophobicContact CZ-CB 4.2Å; F2493-L2538 HydrophobicContact CZ-CD1 4.18Å; F2493-M2541 HydrophobicContact CE1-CE 4.39Å; F2493-M2541 HydrophobicContact CE1-SD 4.02Å; F2493-M2541 HydrophobicContact CE2-SD 4.47Å; F2493-M2541 HydrophobicContact CZ-CE 4.44Å; F2493-M2541 HydrophobicContact CZ-SD 3.61Å; F2493-M2541 VanDerWaalsContact CZ-SD 3.54Å |
| 2494 | K | 80.7 | Confident | 77.9 | Confident | 66.8 Ų | 66.8 | 69.5 Ų | 69.5 | 29% | 0.29 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.4 | -44.4 | 171 | -69.4 | 169.7 | -164.6 | 161.4 | 0 | 110.9 | D2489 S2490 E2491 K2497 N2498 | D2489-K2494 VanDerWaalsContact C-CE 3.42Å; D2489-K2494 VanDerWaalsContact CA-CE 3.45Å; D2489-K2494 WeakPolarHBondContact O-CE 3.34Å; D2489-K2494 PolarHBondContact O-NZ 3.1Å; S2490-K2494 VanDerWaalsContact O-CG 3.3Å; S2490-K2494 WeakPolarHBondContact O-CG 3.35Å; S2490-K2494 PolarHBondContact O-N 3.05Å; S2490-K2494 VanDerWaalsContact O-N 3.12Å; E2491-K2494 PolarHBondContact O-N 3.12Å; E2491-K2494 WeakPolarHBondContact OE1-CD 3.35Å; E2491-K2494 WeakPolarHBondContact OE1-CE 3.4Å; E2491-K2494 IonicContact OE1-NZ 3.21Å; E2491-K2494 PolarHBondContact OE1-NZ 3.31Å; K2494-K2497 PolarHBondContact O-N 3.2Å; K2494-N2498 VanDerWaalsContact O-CB 3.29Å; K2494-N2498 WeakPolarHBondContact O-CB 3.38Å; K2494-N2498 PolarHBondContact O-N 3.19Å; K2494-N2498 PolarHBondContact O-ND2 3.1Å; K2494-N2498 PolarHBondContact O-OD1 3.04Å |
| 2495 | H | 79 | Confident | 79.3 | Confident | 100.8 Ų | 100.8 | 70.1 Ų | 70.1 | 47% | 0.467 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.4 | -49.6 | 177.7 | -171.7 | 78.1 | 0 | 0 | 0 | 111.5 | E2491 E2492 F2493 K2497 N2498 V2499 Y2527 | E2491-H2495 VanDerWaalsContact O-CB 3.25Å; E2491-H2495 WeakPolarHBondContact O-CB 3.42Å; E2491-H2495 PolarHBondContact O-N 3.05Å; E2492-H2495 PolarHBondContact O-N 3.36Å; F2493-H2495 VanDerWaalsContact C-N 3.31Å; F2493-H2495 PolarHBondContact O-N 3.32Å; H2495-K2497 VanDerWaalsContact C-N 3.27Å; H2495-K2497 PolarHBondContact O-N 2.87Å; H2495-N2498 CarbonylContact O-C 3.45Å; H2495-N2498 WeakPolarHBondContact O-CB 3.24Å; H2495-N2498 PolarHBondContact O-N 3.15Å; H2495-N2498 VanDerWaalsContact O-N 3.1Å; H2495-V2499 WeakPolarHBondContact O-CB 3.34Å; H2495-V2499 VanDerWaalsContact O-CG2 3.29Å; H2495-V2499 WeakPolarHBondContact O-CG2 3.4Å; H2495-V2499 PolarHBondContact O-N 3.12Å; H2495-Y2527 AromaticContact CD2-CE1 3.83Å; H2495-Y2527 PolarHBondContact CD2-OH 3.07Å; H2495-Y2527 VanDerWaalsContact CD2-OH 3.31Å; H2495-Y2527 PolarHBondContact NE2-OH 2.56Å |
| 2496 | L | 80.1 | Confident | 80.5 | Confident | 0.8 Ų | 0.8 | 64.7 Ų | 64.7 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.1 | -38.3 | 176.1 | -179.2 | 62.7 | 0 | 0 | 0 | 112.6 | E2492 F2493 V2499 A2501 Y2522 Y2527 F2534 I2535 L2538 | E2492-L2496 WeakPolarHBondContact O-CB 3.28Å; E2492-L2496 PolarHBondContact O-N 3.02Å; F2493-L2496 PolarHBondContact O-N 3.27Å; L2496-V2499 PolarHBondContact O-N 2.79Å; L2496-A2501 HydrophobicContact CD1-CB 4.11Å; L2496-Y2522 HydrophobicContact CD1-CD2 4.31Å; L2496-Y2527 WeakPolarHBondContact CA-OH 3.48Å; L2496-Y2527 HydrophobicContact CB-CD1 3.93Å; L2496-Y2527 HydrophobicContact CB-CE1 4.01Å; L2496-Y2527 HydrophobicContact CB-CG 4.46Å; L2496-Y2527 HydrophobicContact CD1-CD1 4.1Å; L2496-Y2527 HydrophobicContact CD1-CD2 3.85Å; L2496-Y2527 HydrophobicContact CD1-CE1 4.2Å; L2496-Y2527 HydrophobicContact CD1-CE2 3.97Å; L2496-Y2527 HydrophobicContact CD1-CG 3.91Å; L2496-Y2527 HydrophobicContact CD2-CD1 4.41Å; L2496-Y2527 HydrophobicContact CD2-CE1 4.3Å; L2496-Y2527 HydrophobicContact CD2-CG 4.4Å; L2496-Y2527 HydrophobicContact CG-CD1 4.37Å; L2496-Y2527 HydrophobicContact CG-CE1 4.3Å; L2496-Y2527 HydrophobicContact CG-CG 4.47Å; L2496-F2534 HydrophobicContact CD2-CB 3.69Å; L2496-I2535 HydrophobicContact CD1-CD1 4.5Å; L2496-I2535 HydrophobicContact CD2-CB 4.38Å; L2496-I2535 HydrophobicContact CD2-CD1 4.44Å; L2496-L2538 HydrophobicContact CD2-CD2 4.37Å; L2496-L2538 HydrophobicContact CG-CD2 4.11Å |
| 2497 | K | 82.9 | Confident | 81.7 | Confident | 119.6 Ų | 119.6 | 60.5 Ų | 60.5 | 52% | 0.52 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.3 | -45.7 | 174.6 | -172.7 | 176.8 | -179.9 | 179.5 | 0 | 111.7 | F2493 K2494 H2495 V2499 N2500 L2538 | F2493-K2497 WeakPolarHBondContact O-CB 3.3Å; F2493-K2497 PolarHBondContact O-N 3.15Å; K2494-K2497 PolarHBondContact O-N 3.2Å; H2495-K2497 VanDerWaalsContact C-N 3.27Å; H2495-K2497 PolarHBondContact O-N 2.87Å; K2497-V2499 VanDerWaalsContact C-N 3.29Å; K2497-V2499 PolarHBondContact O-N 3.12Å; K2497-N2500 WeakPolarHBondContact O-CA 3.3Å; K2497-N2500 PolarHBondContact O-N 3.16Å; K2497-N2500 VanDerWaalsContact O-N 3.1Å; K2497-N2500 PolarHBondContact O-OD1 2.82Å; K2497-L2538 HydrophobicContact CB-CD1 4.31Å; K2497-L2538 HydrophobicContact CD-CD1 4.44Å; K2497-L2538 HydrophobicContact CG-CD1 4.2Å |
| 2498 | N | 85.9 | Confident | 82.9 | Confident | 118.6 Ų | 118.6 | 58.7 Ų | 58.7 | 63% | 0.634 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -66.1 | -30.6 | 179.2 | -69 | -12.6 | 0 | 0 | 0 | 112.7 | K2494 H2495 N2500 | K2494-N2498 VanDerWaalsContact O-CB 3.29Å; K2494-N2498 WeakPolarHBondContact O-CB 3.38Å; K2494-N2498 PolarHBondContact O-N 3.19Å; K2494-N2498 PolarHBondContact O-ND2 3.1Å; K2494-N2498 PolarHBondContact O-OD1 3.04Å; H2495-N2498 CarbonylContact O-C 3.45Å; H2495-N2498 WeakPolarHBondContact O-CB 3.24Å; H2495-N2498 PolarHBondContact O-N 3.15Å; H2495-N2498 VanDerWaalsContact O-N 3.1Å; N2498-N2500 PolarHBondContact O-N 3Å; N2498-N2500 PolarHBondContact O-ND2 3.12Å |
| 2499 | V | 84.2 | Confident | 84.1 | Confident | 39.8 Ų | 39.8 | 58.2 Ų | 58.2 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -19.7 | 170.8 | 164.2 | 0 | 0 | 0 | 0 | 111.9 | H2495 L2496 K2497 A2501 R2521 | H2495-V2499 WeakPolarHBondContact O-CB 3.34Å; H2495-V2499 VanDerWaalsContact O-CG2 3.29Å; H2495-V2499 WeakPolarHBondContact O-CG2 3.4Å; H2495-V2499 PolarHBondContact O-N 3.12Å; L2496-V2499 PolarHBondContact O-N 2.79Å; K2497-V2499 VanDerWaalsContact C-N 3.29Å; K2497-V2499 PolarHBondContact O-N 3.12Å; V2499-A2501 HydrophobicContact CG1-CB 4.42Å; V2499-A2501 PolarHBondContact O-N 3.13Å; V2499-R2521 HydrophobicContact CG1-CB 3.85Å; V2499-R2521 HydrophobicContact CG1-CG 4.39Å; V2499-R2521 WeakPolarHBondContact CG1-O 3.3Å; V2499-R2521 VanDerWaalsContact O-CD 3.29Å; V2499-R2521 WeakPolarHBondContact O-CD 3.31Å; V2499-R2521 PolarHBondContact O-NH1 3.1Å |
| 2500 | N | 88.7 | Confident | 85.1 | Confident | 74.8 Ų | 74.8 | 58.6 Ų | 58.6 | 40% | 0.4 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 51.6 | 179.6 | -70.1 | -81.1 | 0 | 0 | 0 | 112 | K2497 N2498 Y2503 R2521 | K2497-N2500 WeakPolarHBondContact O-CA 3.3Å; K2497-N2500 PolarHBondContact O-N 3.16Å; K2497-N2500 VanDerWaalsContact O-N 3.1Å; K2497-N2500 PolarHBondContact O-OD1 2.82Å; N2498-N2500 PolarHBondContact O-N 3Å; N2498-N2500 PolarHBondContact O-ND2 3.12Å; N2500-Y2503 HydrophobicContact CB-CD1 4.03Å; N2500-Y2503 HydrophobicContact CB-CE1 4.31Å; N2500-Y2503 WeakPolarHBondContact O-CD1 3.38Å; N2500-Y2503 WeakPolarHBondContact O-CE1 3.44Å; N2500-R2521 VanDerWaalsContact O-CD 3.3Å; N2500-R2521 WeakPolarHBondContact O-CD 3.37Å; N2500-R2521 PolarHBondContact O-NH1 2.98Å |
| 2501 | A | 88.2 | Confident | 85.8 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -74.6 | -34 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L2496 V2499 Y2517 I2518 R2521 | L2496-A2501 HydrophobicContact CD1-CB 4.11Å; V2499-A2501 HydrophobicContact CG1-CB 4.42Å; V2499-A2501 PolarHBondContact O-N 3.13Å; A2501-Y2517 WeakPolarHBondContact O-CA 3.37Å; A2501-Y2517 VanDerWaalsContact O-CD2 3.31Å; A2501-Y2517 WeakPolarHBondContact O-CD2 3.38Å; A2501-I2518 PolarHBondContact O-N 3.05Å; A2501-R2521 HydrophobicContact CB-CB 4.18Å |
| 2502 | F | 92.3 | Very high | 86.7 | Confident | 17.4 Ų | 17.4 | 54.7 Ų | 54.7 | 8% | 0.076 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 130 | 171.5 | -171.8 | -100.2 | 0 | 0 | 0 | 110 | F2515 Y2516 Y2517 L2538 V2539 T2542 | F2502-F2515 HydrophobicContact CE1-CB 4.43Å; F2502-F2515 AromaticContact CE1-CD1 3.84Å; F2502-F2515 HydrophobicContact CE1-CD1 3.84Å; F2502-F2515 HydrophobicContact CE1-CG 4.45Å; F2502-F2515 HydrophobicContact CE2-CB 4.04Å; F2502-F2515 HydrophobicContact CZ-CB 3.69Å; F2502-F2515 AromaticContact CZ-CD1 3.82Å; F2502-F2515 HydrophobicContact CZ-CD1 3.82Å; F2502-F2515 AromaticContact CZ-CG 3.98Å; F2502-F2515 HydrophobicContact CZ-CG 4.01Å; F2502-Y2516 VanDerWaalsContact CA-O 3.31Å; F2502-Y2516 WeakPolarHBondContact CA-O 3.37Å; F2502-Y2517 HydrophobicContact CB-CD2 4.46Å; F2502-Y2517 HydrophobicContact CD2-CD2 4.23Å; F2502-Y2517 HydrophobicContact CD2-CG 4.48Å; F2502-L2538 HydrophobicContact CB-CD2 4.32Å; F2502-L2538 HydrophobicContact CB-CG 4.46Å; F2502-V2539 HydrophobicContact CB-CG2 4.08Å; F2502-V2539 HydrophobicContact CD1-CB 4.25Å; F2502-V2539 HydrophobicContact CD1-CG1 4.44Å; F2502-V2539 HydrophobicContact CD1-CG2 3.67Å; F2502-V2539 VanDerWaalsContact CD1-CG2 3.5Å; F2502-V2539 HydrophobicContact CD2-CG2 3.99Å; F2502-V2539 HydrophobicContact CE1-CB 4.26Å; F2502-V2539 HydrophobicContact CE1-CG1 4.1Å; F2502-V2539 HydrophobicContact CE1-CG2 4.03Å; F2502-V2539 HydrophobicContact CE2-CG2 4.29Å; F2502-V2539 HydrophobicContact CG-CG2 3.64Å; F2502-V2539 VanDerWaalsContact CG-CG2 3.48Å; F2502-V2539 HydrophobicContact CZ-CG1 4.17Å; F2502-V2539 HydrophobicContact CZ-CG2 4.35Å; F2502-T2542 HydrophobicContact CD1-CG2 4.01Å; F2502-T2542 HydrophobicContact CE1-CG2 3.87Å |
| 2503 | Y | 93 | Very high | 87.8 | Confident | 37.2 Ų | 37.2 | 51.9 Ų | 51.9 | 15% | 0.146 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 155.2 | -179.8 | 55.1 | -85.4 | 0 | 0 | 0 | 111.8 | N2500 A2505 F2515 Y2516 I2518 R2637 | N2500-Y2503 HydrophobicContact CB-CD1 4.03Å; N2500-Y2503 HydrophobicContact CB-CE1 4.31Å; N2500-Y2503 WeakPolarHBondContact O-CD1 3.38Å; N2500-Y2503 WeakPolarHBondContact O-CE1 3.44Å; Y2503-A2505 HydrophobicContact CD2-CB 3.98Å; Y2503-A2505 HydrophobicContact CE2-CB 4.1Å; Y2503-F2515 CarbonylContact O-C 3.55Å; Y2503-F2515 WeakPolarHBondContact O-CA 3.3Å; Y2503-Y2516 HydrophobicContact CD2-CD2 4.42Å; Y2503-Y2516 HydrophobicContact CD2-CG 4.46Å; Y2503-Y2516 AromaticContact CE2-CD2 3.91Å; Y2503-Y2516 HydrophobicContact CE2-CD2 3.93Å; Y2503-Y2516 AromaticContact CE2-CG 3.88Å; Y2503-Y2516 HydrophobicContact CE2-CG 3.88Å; Y2503-Y2516 VanDerWaalsContact CZ-CB 3.49Å; Y2503-Y2516 AromaticContact CZ-CG 3.98Å; Y2503-Y2516 PolarHBondContact N-O 3.27Å; Y2503-Y2516 VanDerWaalsContact N-O 3.11Å; Y2503-Y2516 PolarHBondContact O-N 3.19Å; Y2503-I2518 HydrophobicContact CE1-CD1 4.46Å; Y2503-I2518 HydrophobicContact CE1-CG1 3.84Å; Y2503-R2637 HydrophobicContact CE2-CB 4.47Å; Y2503-R2637 PolarHBondContact OH-O 3.27Å; Y2503-R2637 VanDerWaalsContact OH-O 3.08Å |
| 2504 | Q | 92.6 | Very high | 88.7 | Confident | 62.2 Ų | 62.2 | 51.6 Ų | 51.6 | 29% | 0.291 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 135.3 | 168.9 | -170 | -81.8 | -46.6 | 0 | 0 | 109.2 | G2506 V2514 F2515 T2542 Y2546 | Q2504-G2506 PolarHBondContact NE2-O 2.93Å; Q2504-G2506 VanDerWaalsContact NE2-O 3.13Å; Q2504-V2514 WeakPolarHBondContact CG-O 3.45Å; Q2504-V2514 PolarHBondContact NE2-O 3.43Å; Q2504-V2514 VanDerWaalsContact NE2-O 3.15Å; Q2504-F2515 HydrophobicContact CB-CD1 3.71Å; Q2504-F2515 HydrophobicContact CB-CE1 3.65Å; Q2504-F2515 HydrophobicContact CB-CG 4.46Å; Q2504-F2515 HydrophobicContact CB-CZ 4.39Å; Q2504-F2515 HydrophobicContact CG-CD1 3.99Å; Q2504-F2515 HydrophobicContact CG-CE1 3.73Å; Q2504-F2515 HydrophobicContact CG-CE2 4.4Å; Q2504-F2515 HydrophobicContact CG-CG 4.44Å; Q2504-F2515 HydrophobicContact CG-CZ 4.01Å; Q2504-T2542 HydrophobicContact CB-CG2 4.31Å; Q2504-Y2546 HydrophobicContact CB-CE2 4.35Å; Q2504-Y2546 VanDerWaalsContact CD-OH 3.28Å; Q2504-Y2546 HydrophobicContact CG-CD2 4.46Å; Q2504-Y2546 HydrophobicContact CG-CE2 3.77Å; Q2504-Y2546 PolarHBondContact OE1-OH 3.07Å; Q2504-Y2546 VanDerWaalsContact OE1-OH 3.06Å |
| 2505 | A | 91.6 | Very high | 89.3 | Confident | 16 Ų | 16 | 48.4 Ų | 48.4 | 13% | 0.132 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 133.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y2503 V2514 Y2516 R2637 | Y2503-A2505 HydrophobicContact CD2-CB 3.98Å; Y2503-A2505 HydrophobicContact CE2-CB 4.1Å; A2505-V2514 PolarHBondContact N-O 3.14Å; A2505-V2514 VanDerWaalsContact O-O 3.11Å; A2505-Y2516 HydrophobicContact CB-CD2 4.06Å; A2505-Y2516 HydrophobicContact CB-CE2 4.06Å; A2505-Y2516 WeakPolarHBondContact O-CE2 3.34Å; A2505-R2637 HydrophobicContact CB-CB 3.72Å; A2505-R2637 HydrophobicContact CB-CG 3.86Å |
| 2506 | G | 90.4 | Very high | 90.1 | Very high | 18.8 Ų | 18.8 | 43.6 Ų | 43.6 | 19% | 0.194 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 69 | -179.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q2504 V2514 Q2635 | Q2504-G2506 PolarHBondContact NE2-O 2.93Å; Q2504-G2506 VanDerWaalsContact NE2-O 3.13Å; G2506-V2514 PolarHBondContact O-N 3.01Å; G2506-V2514 VanDerWaalsContact O-N 3.12Å; G2506-Q2635 VanDerWaalsContact CA-OE1 3.27Å |
| 2507 | T | 92 | Very high | 90.8 | Very high | 62.4 Ų | 62.4 | 45.1 Ų | 45.1 | 38% | 0.383 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 147.5 | 177.8 | 48.7 | 0 | 0 | 0 | 0 | 111 | N2512 Q2635 | T2507-N2512 CarbonylContact C-O 3.59Å; T2507-N2512 VanDerWaalsContact CA-O 3.27Å; T2507-N2512 WeakPolarHBondContact CA-O 3.34Å; T2507-Q2635 VanDerWaalsContact N-OE1 3.13Å; T2507-Q2635 WeakPolarHBondContact O-CB 3.33Å; T2507-Q2635 PolarHBondContact OG1-OE1 3.15Å |
| 2508 | S | 92.5 | Very high | 91.4 | Very high | 7.2 Ų | 7.2 | 39.4 Ų | 39.4 | 5% | 0.05 | 22% | 0.219 | C | C | . | . | trans | -77.1 | 169.1 | 176.1 | 76.6 | 0 | 0 | 0 | 0 | 111.7 | L2510 G2511 N2512 E2552 | S2508-L2510 PolarHBondContact O-N 3.01Å; S2508-L2510 VanDerWaalsContact O-N 3.1Å; S2508-L2510 PolarHBondContact OG-N 3.17Å; S2508-G2511 PolarHBondContact O-N 3.08Å; S2508-N2512 PolarHBondContact N-O 3.25Å; S2508-N2512 PolarHBondContact OG-N 3.04Å; S2508-E2552 VanDerWaalsContact CB-CD 3.44Å; S2508-E2552 VanDerWaalsContact CB-OE1 3.27Å; S2508-E2552 WeakPolarHBondContact CB-OE1 3.26Å; S2508-E2552 WeakPolarHBondContact CB-OE2 3.36Å; S2508-E2552 VanDerWaalsContact OG-CD 3.25Å; S2508-E2552 PolarHBondContact OG-OE1 3.07Å; S2508-E2552 PolarHBondContact OG-OE2 3.08Å | ||
| 2509 | R | 91.3 | Very high | 91.7 | Very high | 121.4 Ų | 121.4 | 33.9 Ų | 33.9 | 46% | 0.458 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -18.6 | 171.4 | -70.7 | 179.3 | -179.4 | -68.8 | -12.4 | 113.4 | G2511 N2628 E2629 Y2630 E2632 | R2509-G2511 VanDerWaalsContact C-N 3.32Å; R2509-N2628 VanDerWaalsContact CZ-O 3.28Å; R2509-N2628 PolarHBondContact NE-O 3.14Å; R2509-N2628 PolarHBondContact NH2-O 3.31Å; R2509-E2629 VanDerWaalsContact CD-O 3.29Å; R2509-E2629 WeakPolarHBondContact CD-O 3.41Å; R2509-E2629 PolarHBondContact NE-O 3.06Å; R2509-Y2630 WeakPolarHBondContact CB-O 3.3Å; R2509-Y2630 WeakPolarHBondContact CG-O 3.39Å; R2509-Y2630 PolarHBondContact N-O 3.23Å; R2509-E2632 HydrophobicContact CG-CG 4.38Å; R2509-E2632 VanDerWaalsContact CZ-CD 3.44Å; R2509-E2632 IonicContact CZ-OE1 2.99Å; R2509-E2632 IonicContact CZ-OE2 3.3Å; R2509-E2632 VanDerWaalsContact CZ-OE2 3.29Å; R2509-E2632 VanDerWaalsContact NH1-CD 3.32Å; R2509-E2632 IonicContact NH1-OE1 3.02Å; R2509-E2632 PolarHBondContact NH1-OE1 3.21Å; R2509-E2632 IonicContact NH1-OE2 3.08Å; R2509-E2632 PolarHBondContact NH1-OE2 2.83Å; R2509-E2632 VanDerWaalsContact NH2-CD 3.29Å; R2509-E2632 IonicContact NH2-OE1 3.27Å; R2509-E2632 PolarHBondContact NH2-OE1 2.68Å; R2509-E2632 IonicContact NH2-OE2 2.87Å; R2509-E2632 PolarHBondContact NH2-OE2 3.39Å |
| 2510 | L | 88.5 | Confident | 91.9 | Very high | 127.2 Ų | 127.2 | 33.7 Ų | 33.7 | 67% | 0.666 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 1.3 | 175.3 | -60.8 | 177 | 0 | 0 | 0 | 113 | S2508 N2512 V2587 | S2508-L2510 PolarHBondContact O-N 3.01Å; S2508-L2510 VanDerWaalsContact O-N 3.1Å; S2508-L2510 PolarHBondContact OG-N 3.17Å; L2510-N2512 VanDerWaalsContact C-N 3.28Å; L2510-N2512 WeakPolarHBondContact CB-ND2 3.24Å; L2510-N2512 PolarHBondContact O-N 3.12Å; L2510-V2587 HydrophobicContact CD1-CG1 4.35Å |
| 2511 | G | 88.8 | Confident | 91.9 | Very high | 56.6 Ų | 56.6 | 34.1 Ų | 34.1 | 58% | 0.584 | 18% | 0.18 | S | C | * | . | S | Bend | trans | 78.5 | 6.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S2508 R2509 | S2508-G2511 PolarHBondContact O-N 3.08Å; R2509-G2511 VanDerWaalsContact C-N 3.32Å |
| 2512 | N | 91.8 | Very high | 91.8 | Very high | 19.6 Ų | 19.6 | 34.3 Ų | 34.3 | 11% | 0.105 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -78.3 | 143.4 | 178.2 | -60.5 | -48.9 | 0 | 0 | 0 | 110.5 | T2507 S2508 L2510 P2550 E2552 | T2507-N2512 CarbonylContact C-O 3.59Å; T2507-N2512 VanDerWaalsContact CA-O 3.27Å; T2507-N2512 WeakPolarHBondContact CA-O 3.34Å; S2508-N2512 PolarHBondContact N-O 3.25Å; S2508-N2512 PolarHBondContact OG-N 3.04Å; L2510-N2512 VanDerWaalsContact C-N 3.28Å; L2510-N2512 WeakPolarHBondContact CB-ND2 3.24Å; L2510-N2512 PolarHBondContact O-N 3.12Å; N2512-P2550 WeakPolarHBondContact OD1-CB 3.45Å; N2512-P2550 WeakPolarHBondContact OD1-CG 3.27Å; N2512-E2552 HydrophobicContact CB-CG 4.11Å; N2512-E2552 WeakPolarHBondContact CB-OE1 3.25Å; N2512-E2552 PolarHBondContact ND2-OE1 3.08Å |
| 2513 | P | 93.6 | Very high | 91.2 | Very high | 16.2 Ų | 16.2 | 36.8 Ų | 36.8 | 11% | 0.105 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 136.6 | 169.9 | 28.8 | -34.9 | 0 | 0 | 0 | 110.4 | F2515 Y2546 P2550 F2551 E2552 | P2513-F2515 HydrophobicContact CB-CE2 4.29Å; P2513-F2515 HydrophobicContact CG-CE2 4.28Å; P2513-Y2546 HydrophobicContact CB-CD1 3.85Å; P2513-Y2546 HydrophobicContact CB-CE1 3.79Å; P2513-Y2546 HydrophobicContact CB-CG 4.47Å; P2513-Y2546 HydrophobicContact CG-CD1 3.71Å; P2513-Y2546 HydrophobicContact CG-CE1 4.16Å; P2513-Y2546 HydrophobicContact CG-CG 4.33Å; P2513-P2550 WeakPolarHBondContact CD-O 3.35Å; P2513-F2551 HydrophobicContact CG-CB 3.95Å; P2513-E2552 PolarHBondContact O-N 3.08Å; P2513-E2552 VanDerWaalsContact O-N 3.08Å |
| 2514 | V | 93.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 134.6 | 177.5 | -178 | 0 | 0 | 0 | 0 | 110.4 | Q2504 A2505 G2506 Y2516 E2552 V2554 I2631 | Q2504-V2514 WeakPolarHBondContact CG-O 3.45Å; Q2504-V2514 PolarHBondContact NE2-O 3.43Å; Q2504-V2514 VanDerWaalsContact NE2-O 3.15Å; A2505-V2514 PolarHBondContact N-O 3.14Å; A2505-V2514 VanDerWaalsContact O-O 3.11Å; G2506-V2514 PolarHBondContact O-N 3.01Å; G2506-V2514 VanDerWaalsContact O-N 3.12Å; V2514-Y2516 HydrophobicContact CB-CE2 4.35Å; V2514-Y2516 HydrophobicContact CG1-CD2 4.22Å; V2514-Y2516 HydrophobicContact CG1-CE2 3.69Å; V2514-E2552 WeakPolarHBondContact CA-O 3.44Å; V2514-E2552 HydrophobicContact CG2-CB 4.4Å; V2514-V2554 HydrophobicContact CG1-CG2 3.76Å; V2514-I2631 HydrophobicContact CB-CD1 4.49Å; V2514-I2631 HydrophobicContact CG1-CD1 3.87Å; V2514-I2631 HydrophobicContact CG2-CD1 3.94Å; V2514-I2631 HydrophobicContact CG2-CG1 4.27Å |
| 2515 | F | 94.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 141.1 | 172.9 | -61.8 | -96.4 | 0 | 0 | 0 | 110.5 | F2502 Y2503 Q2504 P2513 T2542 L2543 Y2546 F2551 E2552 V2553 V2554 | F2502-F2515 HydrophobicContact CE1-CB 4.43Å; F2502-F2515 AromaticContact CE1-CD1 3.84Å; F2502-F2515 HydrophobicContact CE1-CD1 3.84Å; F2502-F2515 HydrophobicContact CE1-CG 4.45Å; F2502-F2515 HydrophobicContact CE2-CB 4.04Å; F2502-F2515 HydrophobicContact CZ-CB 3.69Å; F2502-F2515 AromaticContact CZ-CD1 3.82Å; F2502-F2515 HydrophobicContact CZ-CD1 3.82Å; F2502-F2515 AromaticContact CZ-CG 3.98Å; F2502-F2515 HydrophobicContact CZ-CG 4.01Å; Y2503-F2515 CarbonylContact O-C 3.55Å; Y2503-F2515 WeakPolarHBondContact O-CA 3.3Å; Q2504-F2515 HydrophobicContact CB-CD1 3.71Å; Q2504-F2515 HydrophobicContact CB-CE1 3.65Å; Q2504-F2515 HydrophobicContact CB-CG 4.46Å; Q2504-F2515 HydrophobicContact CB-CZ 4.39Å; Q2504-F2515 HydrophobicContact CG-CD1 3.99Å; Q2504-F2515 HydrophobicContact CG-CE1 3.73Å; Q2504-F2515 HydrophobicContact CG-CE2 4.4Å; Q2504-F2515 HydrophobicContact CG-CG 4.44Å; Q2504-F2515 HydrophobicContact CG-CZ 4.01Å; P2513-F2515 HydrophobicContact CB-CE2 4.29Å; P2513-F2515 HydrophobicContact CG-CE2 4.28Å; F2515-T2542 HydrophobicContact CD1-CG2 4.07Å; F2515-T2542 HydrophobicContact CE1-CG2 3.94Å; F2515-T2542 WeakPolarHBondContact CE1-O 3.41Å; F2515-L2543 HydrophobicContact CD1-CD2 4.25Å; F2515-L2543 HydrophobicContact CD2-CD2 4.3Å; F2515-L2543 HydrophobicContact CE1-CD2 3.92Å; F2515-L2543 HydrophobicContact CE2-CD2 3.98Å; F2515-L2543 HydrophobicContact CG-CD2 4.41Å; F2515-L2543 HydrophobicContact CZ-CD2 3.77Å; F2515-Y2546 AromaticContact CE1-CD2 3.98Å; F2515-Y2546 HydrophobicContact CE1-CD2 4.05Å; F2515-Y2546 HydrophobicContact CE1-CE2 4.32Å; F2515-Y2546 AromaticContact CZ-CD2 3.51Å; F2515-Y2546 HydrophobicContact CZ-CD2 3.51Å; F2515-Y2546 VanDerWaalsContact CZ-CD2 3.49Å; F2515-Y2546 HydrophobicContact CZ-CE2 4.13Å; F2515-Y2546 AromaticContact CZ-CG 3.85Å; F2515-Y2546 HydrophobicContact CZ-CG 3.85Å; F2515-F2551 HydrophobicContact CD2-CB 4.08Å; F2515-F2551 AromaticContact CD2-CD2 3.81Å; F2515-F2551 HydrophobicContact CD2-CD2 3.81Å; F2515-F2551 HydrophobicContact CD2-CG 4.19Å; F2515-F2551 HydrophobicContact CE2-CB 3.66Å; F2515-F2551 AromaticContact CE2-CD2 3.96Å; F2515-F2551 HydrophobicContact CE2-CD2 3.97Å; F2515-F2551 AromaticContact CE2-CG 3.89Å; F2515-F2551 HydrophobicContact CE2-CG 3.89Å; F2515-E2552 PolarHBondContact N-O 3.21Å; F2515-V2553 HydrophobicContact CB-CG2 4.38Å; F2515-V2553 CarbonylContact O-C 3.56Å; F2515-V2553 VanDerWaalsContact O-CA 3.3Å; F2515-V2553 WeakPolarHBondContact O-CA 3.3Å; F2515-V2554 PolarHBondContact O-N 2.9Å |
| 2516 | Y | 95.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.6 | 178.5 | -71.7 | -98.7 | 0 | 0 | 0 | 110.1 | F2502 Y2503 A2505 V2514 V2554 Q2636 R2637 L2638 | F2502-Y2516 VanDerWaalsContact CA-O 3.31Å; F2502-Y2516 WeakPolarHBondContact CA-O 3.37Å; Y2503-Y2516 HydrophobicContact CD2-CD2 4.42Å; Y2503-Y2516 HydrophobicContact CD2-CG 4.46Å; Y2503-Y2516 AromaticContact CE2-CD2 3.91Å; Y2503-Y2516 HydrophobicContact CE2-CD2 3.93Å; Y2503-Y2516 AromaticContact CE2-CG 3.88Å; Y2503-Y2516 HydrophobicContact CE2-CG 3.88Å; Y2503-Y2516 VanDerWaalsContact CZ-CB 3.49Å; Y2503-Y2516 AromaticContact CZ-CG 3.98Å; Y2503-Y2516 PolarHBondContact N-O 3.27Å; Y2503-Y2516 VanDerWaalsContact N-O 3.11Å; Y2503-Y2516 PolarHBondContact O-N 3.19Å; A2505-Y2516 HydrophobicContact CB-CD2 4.06Å; A2505-Y2516 HydrophobicContact CB-CE2 4.06Å; A2505-Y2516 WeakPolarHBondContact O-CE2 3.34Å; V2514-Y2516 HydrophobicContact CB-CE2 4.35Å; V2514-Y2516 HydrophobicContact CG1-CD2 4.22Å; V2514-Y2516 HydrophobicContact CG1-CE2 3.69Å; Y2516-V2554 CarbonylContact C-O 3.59Å; Y2516-V2554 WeakPolarHBondContact CA-O 3.36Å; Y2516-V2554 HydrophobicContact CD1-CB 3.68Å; Y2516-V2554 HydrophobicContact CD1-CG1 3.86Å; Y2516-V2554 HydrophobicContact CD1-CG2 4.28Å; Y2516-V2554 HydrophobicContact CE1-CB 3.74Å; Y2516-V2554 HydrophobicContact CE1-CG1 3.83Å; Y2516-V2554 HydrophobicContact CE1-CG2 3.86Å; Y2516-V2554 HydrophobicContact CG-CB 4.32Å; Y2516-Q2636 WeakPolarHBondContact OH-CA 3.38Å; Y2516-R2637 HydrophobicContact CE2-CB 4.31Å; Y2516-R2637 PolarHBondContact OH-N 3.07Å; Y2516-R2637 VanDerWaalsContact OH-N 3.1Å; Y2516-L2638 HydrophobicContact CD1-CD2 4.11Å; Y2516-L2638 HydrophobicContact CE1-CD2 3.91Å; Y2516-L2638 HydrophobicContact CE1-CG 4.11Å |
| 2517 | Y | 94.6 | Very high | 85.9 | Confident | 32.2 Ų | 32.2 | 45.1 Ų | 45.1 | 13% | 0.126 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 120.5 | 167.7 | 179.9 | -122.6 | 0 | 0 | 0 | 109.8 | A2501 F2502 A2519 I2535 V2554 I2555 D2556 F2566 | A2501-Y2517 WeakPolarHBondContact O-CA 3.37Å; A2501-Y2517 VanDerWaalsContact O-CD2 3.31Å; A2501-Y2517 WeakPolarHBondContact O-CD2 3.38Å; F2502-Y2517 HydrophobicContact CB-CD2 4.46Å; F2502-Y2517 HydrophobicContact CD2-CD2 4.23Å; F2502-Y2517 HydrophobicContact CD2-CG 4.48Å; Y2517-A2519 HydrophobicContact CE1-CB 4.01Å; Y2517-I2535 HydrophobicContact CE2-CD1 4.33Å; Y2517-V2554 PolarHBondContact N-O 3Å; Y2517-I2555 HydrophobicContact CD1-CG2 4.14Å; Y2517-I2555 WeakPolarHBondContact O-CA 3.48Å; Y2517-D2556 PolarHBondContact O-N 3.08Å; Y2517-F2566 HydrophobicContact CE2-CZ 4.49Å; Y2517-F2566 AromaticContact CZ-CZ 3.94Å; Y2517-F2566 WeakPolarHBondContact OH-CE1 3.31Å; Y2517-F2566 WeakPolarHBondContact OH-CZ 3.33Å |
| 2518 | I | 94.4 | Very high | 84 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 94.6 | -176.4 | -48.4 | -56.2 | 0 | 0 | 0 | 108.7 | A2501 Y2503 R2520 R2521 D2556 P2639 | A2501-I2518 PolarHBondContact O-N 3.05Å; Y2503-I2518 HydrophobicContact CE1-CD1 4.46Å; Y2503-I2518 HydrophobicContact CE1-CG1 3.84Å; I2518-R2520 VanDerWaalsContact C-N 3.35Å; I2518-R2520 HydrophobicContact CG2-CG 4.2Å; I2518-R2520 PolarHBondContact O-N 3.05Å; I2518-R2521 HydrophobicContact CB-CB 4.47Å; I2518-R2521 HydrophobicContact CB-CG 4.29Å; I2518-R2521 HydrophobicContact CG2-CB 4.4Å; I2518-R2521 HydrophobicContact CG2-CG 3.83Å; I2518-R2521 WeakPolarHBondContact O-CB 3.3Å; I2518-R2521 PolarHBondContact O-N 3.22Å; I2518-R2521 VanDerWaalsContact O-N 3.1Å; I2518-D2556 HydrophobicContact CD1-CB 3.68Å; I2518-P2639 HydrophobicContact CD1-CG 3.59Å; I2518-P2639 VanDerWaalsContact CD1-CG 3.47Å; I2518-P2639 HydrophobicContact CG1-CG 3.86Å; I2518-P2639 HydrophobicContact CG2-CG 4.03Å |
| 2519 | A | 92.3 | Very high | 82 | Confident | 2.2 Ų | 2.2 | 49.6 Ų | 49.6 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -60.2 | -42.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y2517 R2521 Y2522 D2556 F2557 T2560 N2564 | Y2517-A2519 HydrophobicContact CE1-CB 4.01Å; A2519-R2521 PolarHBondContact O-N 3.31Å; A2519-R2521 VanDerWaalsContact O-N 3.09Å; A2519-Y2522 PolarHBondContact O-N 3.17Å; A2519-Y2522 VanDerWaalsContact O-N 3.15Å; A2519-D2556 PolarHBondContact N-O 3.21Å; A2519-D2556 VanDerWaalsContact N-O 3.1Å; A2519-F2557 HydrophobicContact CB-CD1 3.74Å; A2519-F2557 HydrophobicContact CB-CE1 4.12Å; A2519-T2560 HydrophobicContact CB-CG2 3.97Å; A2519-T2560 WeakPolarHBondContact CB-OG1 3.3Å; A2519-N2564 PolarHBondContact O-ND2 2.77Å |
| 2520 | R | 89.4 | Confident | 80 | Confident | 37 Ų | 37 | 46 Ų | 46 | 14% | 0.14 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -59.7 | -19.3 | 179.4 | 71.6 | 173.9 | 176.8 | -71.3 | 8.7 | 115.4 | I2518 D2556 T2558 H2559 N2564 G2641 T2642 | I2518-R2520 VanDerWaalsContact C-N 3.35Å; I2518-R2520 HydrophobicContact CG2-CG 4.2Å; I2518-R2520 PolarHBondContact O-N 3.05Å; R2520-D2556 IonicContact CZ-OD2 3.55Å; R2520-D2556 IonicContact NH1-OD1 3.04Å; R2520-D2556 IonicContact NH1-OD2 3.09Å; R2520-D2556 PolarHBondContact NH1-OD2 2.98Å; R2520-D2556 IonicContact NH2-OD2 2.71Å; R2520-T2558 WeakPolarHBondContact CB-O 3.44Å; R2520-T2558 VanDerWaalsContact CD-O 3.28Å; R2520-T2558 WeakPolarHBondContact CD-O 3.34Å; R2520-T2558 PolarHBondContact NH1-O 3.14Å; R2520-H2559 HydrophobicContact CB-CB 4.39Å; R2520-H2559 VanDerWaalsContact CB-O 3.28Å; R2520-H2559 WeakPolarHBondContact CB-O 3.17Å; R2520-N2564 VanDerWaalsContact C-ND2 3.31Å; R2520-N2564 WeakPolarHBondContact CA-ND2 3.39Å; R2520-N2564 PolarHBondContact O-ND2 3.03Å; R2520-N2564 VanDerWaalsContact O-ND2 3.15Å; R2520-G2641 VanDerWaalsContact NH2-C 3.33Å; R2520-G2641 PolarHBondContact NH2-O 2.91Å; R2520-G2641 VanDerWaalsContact NH2-O 3.16Å; R2520-T2642 PolarHBondContact NH1-OG1 3.23Å; R2520-T2642 VanDerWaalsContact NH1-OG1 3.14Å; R2520-T2642 PolarHBondContact NH2-OG1 3.12Å |
| 2521 | R | 88.2 | Confident | 78.2 | Confident | 83 Ų | 83 | 44.3 Ų | 44.3 | 31% | 0.313 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -83.6 | -17.9 | 179 | -73.4 | 179 | 168.6 | 175.6 | -2.5 | 113.3 | V2499 N2500 A2501 I2518 A2519 | V2499-R2521 HydrophobicContact CG1-CB 3.85Å; V2499-R2521 HydrophobicContact CG1-CG 4.39Å; V2499-R2521 WeakPolarHBondContact CG1-O 3.3Å; V2499-R2521 VanDerWaalsContact O-CD 3.29Å; V2499-R2521 WeakPolarHBondContact O-CD 3.31Å; V2499-R2521 PolarHBondContact O-NH1 3.1Å; N2500-R2521 VanDerWaalsContact O-CD 3.3Å; N2500-R2521 WeakPolarHBondContact O-CD 3.37Å; N2500-R2521 PolarHBondContact O-NH1 2.98Å; A2501-R2521 HydrophobicContact CB-CB 4.18Å; I2518-R2521 HydrophobicContact CB-CB 4.47Å; I2518-R2521 HydrophobicContact CB-CG 4.29Å; I2518-R2521 HydrophobicContact CG2-CB 4.4Å; I2518-R2521 HydrophobicContact CG2-CG 3.83Å; I2518-R2521 WeakPolarHBondContact O-CB 3.3Å; I2518-R2521 PolarHBondContact O-N 3.22Å; I2518-R2521 VanDerWaalsContact O-N 3.1Å; A2519-R2521 PolarHBondContact O-N 3.31Å; A2519-R2521 VanDerWaalsContact O-N 3.09Å |
| 2522 | Y | 86.1 | Confident | 76.7 | Confident | 3.8 Ų | 3.8 | 44.5 Ų | 44.5 | 2% | 0.015 | 19% | 0.192 | C | C | . | . | trans | -89.3 | 123 | 173.8 | 177.1 | -96.3 | 0 | 0 | 0 | 109.8 | L2496 A2519 Y2527 I2535 N2564 F2566 L2570 | L2496-Y2522 HydrophobicContact CD1-CD2 4.31Å; A2519-Y2522 PolarHBondContact O-N 3.17Å; A2519-Y2522 VanDerWaalsContact O-N 3.15Å; Y2522-Y2527 AromaticContact CD2-CD2 3.95Å; Y2522-Y2527 HydrophobicContact CD2-CD2 4.11Å; Y2522-Y2527 HydrophobicContact CD2-CE2 4.36Å; Y2522-Y2527 AromaticContact CE2-CD2 3.61Å; Y2522-Y2527 HydrophobicContact CE2-CD2 4.09Å; Y2522-Y2527 HydrophobicContact CE2-CE2 4.4Å; Y2522-Y2527 HydrophobicContact CE2-CG 4.31Å; Y2522-I2535 HydrophobicContact CD2-CB 4.23Å; Y2522-I2535 HydrophobicContact CD2-CD1 4.28Å; Y2522-I2535 HydrophobicContact CD2-CG1 4.23Å; Y2522-I2535 HydrophobicContact CE2-CB 3.87Å; Y2522-I2535 HydrophobicContact CE2-CG1 4.31Å; Y2522-I2535 HydrophobicContact CE2-CG2 3.99Å; Y2522-N2564 VanDerWaalsContact O-CA 3.3Å; Y2522-N2564 WeakPolarHBondContact O-CA 3.39Å; Y2522-N2564 WeakPolarHBondContact O-CB 3.4Å; Y2522-N2564 PolarHBondContact O-ND2 3.08Å; Y2522-F2566 AromaticContact CD1-CD1 4Å; Y2522-F2566 HydrophobicContact CD1-CD1 4.05Å; Y2522-F2566 AromaticContact CD1-CE1 3.67Å; Y2522-F2566 HydrophobicContact CD1-CE1 3.67Å; Y2522-F2566 AromaticContact CE1-CD1 3.63Å; Y2522-F2566 HydrophobicContact CE1-CD1 3.63Å; Y2522-F2566 AromaticContact CE1-CE1 3.58Å; Y2522-F2566 HydrophobicContact CE1-CE1 3.58Å; Y2522-F2566 VanDerWaalsContact CE1-CE1 3.4Å; Y2522-F2566 HydrophobicContact CE2-CE1 4.47Å; Y2522-F2566 HydrophobicContact CG-CE1 4.22Å; Y2522-F2566 AromaticContact CZ-CE1 3.94Å; Y2522-L2570 WeakPolarHBondContact OH-CD2 3.31Å | ||
| 2523 | K | 79.5 | Confident | 75.6 | Confident | 69.8 Ų | 69.8 | 44.1 Ų | 44.1 | 30% | 0.303 | 19% | 0.19 | S | C | . | . | trans | -111.2 | 115.6 | 176.1 | -69.9 | -129.7 | 177.6 | -178.6 | 0 | 110.9 | R2525 E2526 Y2527 E2563 | K2523-R2525 VanDerWaalsContact C-N 3.3Å; K2523-R2525 PolarHBondContact O-N 3.16Å; K2523-E2526 HydrophobicContact CB-CB 4.32Å; K2523-E2526 HydrophobicContact CB-CG 4.29Å; K2523-E2526 WeakPolarHBondContact CB-OE1 3.4Å; K2523-E2526 HydrophobicContact CD-CG 4.3Å; K2523-E2526 WeakPolarHBondContact CD-OE1 3.34Å; K2523-E2526 VanDerWaalsContact CD-OE2 3.23Å; K2523-E2526 WeakPolarHBondContact CD-OE2 3.38Å; K2523-E2526 WeakPolarHBondContact CE-OE1 3.41Å; K2523-E2526 IonicContact NZ-OE1 3.24Å; K2523-E2526 PolarHBondContact NZ-OE1 3.19Å; K2523-E2526 IonicContact NZ-OE2 3.61Å; K2523-E2526 PolarHBondContact NZ-OE2 2.94Å; K2523-E2526 PolarHBondContact O-N 3.15Å; K2523-E2526 VanDerWaalsContact O-N 3.16Å; K2523-Y2527 HydrophobicContact CB-CD2 4.45Å; K2523-Y2527 HydrophobicContact CB-CE2 4.23Å; K2523-Y2527 VanDerWaalsContact O-CD2 3.32Å; K2523-Y2527 WeakPolarHBondContact O-CD2 3.23Å; K2523-Y2527 PolarHBondContact O-N 3.17Å; K2523-E2563 HydrophobicContact CD-CB 4.29Å; K2523-E2563 WeakPolarHBondContact CE-OE2 3.3Å; K2523-E2563 IonicContact NZ-OE2 2.74Å; K2523-E2563 PolarHBondContact NZ-OE2 2.91Å | ||
| 2524 | S | 71.7 | Confident | 74.9 | Confident | 9.4 Ų | 9.4 | 43.7 Ų | 43.7 | 7% | 0.066 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -31.1 | -176.1 | -176.6 | 0 | 0 | 0 | 0 | 113.4 | E2526 Q2528 E2563 R2565 K2567 | S2524-E2526 VanDerWaalsContact C-N 3.29Å; S2524-E2526 PolarHBondContact O-N 2.9Å; S2524-Q2528 WeakPolarHBondContact O-CB 3.43Å; S2524-Q2528 PolarHBondContact O-N 3.06Å; S2524-Q2528 VanDerWaalsContact O-N 3.17Å; S2524-Q2528 PolarHBondContact OG-OE1 3.17Å; S2524-E2563 VanDerWaalsContact CB-O 3.3Å; S2524-E2563 WeakPolarHBondContact CB-O 3.38Å; S2524-E2563 PolarHBondContact N-O 3.04Å; S2524-R2565 VanDerWaalsContact CB-O 3.28Å; S2524-R2565 WeakPolarHBondContact CB-O 3.38Å; S2524-R2565 PolarHBondContact OG-O 3.18Å; S2524-K2567 VanDerWaalsContact OG-CE 3.3Å; S2524-K2567 WeakPolarHBondContact OG-CE 3.44Å |
| 2525 | R | 64.2 | Low | 74.3 | Confident | 178 Ų | 178 | 43.8 Ų | 43.8 | 67% | 0.672 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -30.4 | 178.9 | -73.1 | -173.5 | 177.3 | -153.6 | 0.7 | 113.7 | E1943 K2523 | E1943-R2525 VanDerWaalsContact CD-NH1 3.35Å; E1943-R2525 IonicContact OE1-CZ 2.99Å; E1943-R2525 VanDerWaalsContact OE1-CZ 3.24Å; E1943-R2525 IonicContact OE1-NH1 3.27Å; E1943-R2525 PolarHBondContact OE1-NH1 3.32Å; E1943-R2525 IonicContact OE1-NH2 3.28Å; E1943-R2525 PolarHBondContact OE1-NH2 3.29Å; E1943-R2525 IonicContact OE2-CZ 3.66Å; E1943-R2525 IonicContact OE2-NH1 3.39Å; E1943-R2525 PolarHBondContact OE2-NH1 2.85Å; E1943-R2525 VanDerWaalsContact OE2-NH1 3.09Å; K2523-R2525 VanDerWaalsContact C-N 3.3Å; K2523-R2525 PolarHBondContact O-N 3.16Å |
| 2526 | E | 61.3 | Low | 73.7 | Confident | 100.2 Ų | 100.2 | 43.9 Ų | 43.9 | 47% | 0.468 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -44.2 | -174.3 | -71.1 | 165.5 | -160.2 | 0 | 0 | 111.7 | K2523 S2524 Q2528 | K2523-E2526 HydrophobicContact CB-CB 4.32Å; K2523-E2526 HydrophobicContact CB-CG 4.29Å; K2523-E2526 WeakPolarHBondContact CB-OE1 3.4Å; K2523-E2526 HydrophobicContact CD-CG 4.3Å; K2523-E2526 WeakPolarHBondContact CD-OE1 3.34Å; K2523-E2526 VanDerWaalsContact CD-OE2 3.23Å; K2523-E2526 WeakPolarHBondContact CD-OE2 3.38Å; K2523-E2526 WeakPolarHBondContact CE-OE1 3.41Å; K2523-E2526 IonicContact NZ-OE1 3.24Å; K2523-E2526 PolarHBondContact NZ-OE1 3.19Å; K2523-E2526 IonicContact NZ-OE2 3.61Å; K2523-E2526 PolarHBondContact NZ-OE2 2.94Å; K2523-E2526 PolarHBondContact O-N 3.15Å; K2523-E2526 VanDerWaalsContact O-N 3.16Å; S2524-E2526 VanDerWaalsContact C-N 3.29Å; S2524-E2526 PolarHBondContact O-N 2.9Å; E2526-Q2528 VanDerWaalsContact C-N 3.28Å; E2526-Q2528 PolarHBondContact O-N 3.18Å |
| 2527 | Y | 59.2 | Low | 73 | Confident | 20.6 Ų | 20.6 | 43.9 Ų | 43.9 | 8% | 0.081 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -96 | 0.6 | -173.4 | -53.4 | -67.5 | 0 | 0 | 0 | 114.6 | H2495 L2496 Y2522 K2523 R2529 V2530 | H2495-Y2527 AromaticContact CD2-CE1 3.83Å; H2495-Y2527 PolarHBondContact CD2-OH 3.07Å; H2495-Y2527 VanDerWaalsContact CD2-OH 3.31Å; H2495-Y2527 PolarHBondContact NE2-OH 2.56Å; L2496-Y2527 WeakPolarHBondContact CA-OH 3.48Å; L2496-Y2527 HydrophobicContact CB-CD1 3.93Å; L2496-Y2527 HydrophobicContact CB-CE1 4.01Å; L2496-Y2527 HydrophobicContact CB-CG 4.46Å; L2496-Y2527 HydrophobicContact CD1-CD1 4.1Å; L2496-Y2527 HydrophobicContact CD1-CD2 3.85Å; L2496-Y2527 HydrophobicContact CD1-CE1 4.2Å; L2496-Y2527 HydrophobicContact CD1-CE2 3.97Å; L2496-Y2527 HydrophobicContact CD1-CG 3.91Å; L2496-Y2527 HydrophobicContact CD2-CD1 4.41Å; L2496-Y2527 HydrophobicContact CD2-CE1 4.3Å; L2496-Y2527 HydrophobicContact CD2-CG 4.4Å; L2496-Y2527 HydrophobicContact CG-CD1 4.37Å; L2496-Y2527 HydrophobicContact CG-CE1 4.3Å; L2496-Y2527 HydrophobicContact CG-CG 4.47Å; Y2522-Y2527 AromaticContact CD2-CD2 3.95Å; Y2522-Y2527 HydrophobicContact CD2-CD2 4.11Å; Y2522-Y2527 HydrophobicContact CD2-CE2 4.36Å; Y2522-Y2527 AromaticContact CE2-CD2 3.61Å; Y2522-Y2527 HydrophobicContact CE2-CD2 4.09Å; Y2522-Y2527 HydrophobicContact CE2-CE2 4.4Å; Y2522-Y2527 HydrophobicContact CE2-CG 4.31Å; K2523-Y2527 HydrophobicContact CB-CD2 4.45Å; K2523-Y2527 HydrophobicContact CB-CE2 4.23Å; K2523-Y2527 VanDerWaalsContact O-CD2 3.32Å; K2523-Y2527 WeakPolarHBondContact O-CD2 3.23Å; K2523-Y2527 PolarHBondContact O-N 3.17Å; Y2527-R2529 PolarHBondContact O-N 3.23Å; Y2527-R2529 VanDerWaalsContact O-N 3.16Å; Y2527-V2530 HydrophobicContact CD1-CG2 4.41Å; Y2527-V2530 PolarHBondContact O-N 2.76Å |
| 2528 | Q | 53.1 | Low | 72.5 | Confident | 55.2 Ų | 55.2 | 42.7 Ų | 42.7 | 26% | 0.258 | 18% | 0.183 | S | C | . | . | trans | -83.1 | 36.9 | -178.5 | -162.3 | 173.2 | -4.4 | 0 | 0 | 112.7 | S2524 E2526 K2567 L2570 | S2524-Q2528 WeakPolarHBondContact O-CB 3.43Å; S2524-Q2528 PolarHBondContact O-N 3.06Å; S2524-Q2528 VanDerWaalsContact O-N 3.17Å; S2524-Q2528 PolarHBondContact OG-OE1 3.17Å; E2526-Q2528 VanDerWaalsContact C-N 3.28Å; E2526-Q2528 PolarHBondContact O-N 3.18Å; Q2528-K2567 VanDerWaalsContact OE1-CD 3.25Å; Q2528-L2570 HydrophobicContact CG-CD2 4.2Å | ||
| 2529 | R | 50 | Low | 72.1 | Confident | 109.4 Ų | 109.4 | 43 Ų | 43 | 41% | 0.413 | 19% | 0.186 | S | C | . | . | trans | -77.4 | 115.5 | 169.9 | -68.9 | -169 | 171.4 | -170.3 | 4.8 | 112 | P1876 Q1878 E2492 Y2527 E2531 F2534 | P1876-R2529 PolarHBondContact O-NH2 2.83Å; Q1878-R2529 VanDerWaalsContact CD-NH1 3.31Å; E2492-R2529 VanDerWaalsContact CD-NH1 3.28Å; E2492-R2529 IonicContact OE1-CZ 3.07Å; E2492-R2529 VanDerWaalsContact OE1-CZ 3.28Å; E2492-R2529 IonicContact OE1-NE 2.92Å; E2492-R2529 IonicContact OE1-NH1 2.78Å; E2492-R2529 PolarHBondContact OE1-NH1 2.85Å; E2492-R2529 VanDerWaalsContact OE1-NH1 3.14Å; E2492-R2529 IonicContact OE1-NH2 2.89Å; E2492-R2529 PolarHBondContact OE1-NH2 3.21Å; E2492-R2529 IonicContact OE2-CZ 3.07Å; E2492-R2529 IonicContact OE2-NE 2.75Å; E2492-R2529 PolarHBondContact OE2-NE 2.89Å; E2492-R2529 IonicContact OE2-NH1 3.66Å; E2492-R2529 PolarHBondContact OE2-NH1 3.29Å; E2492-R2529 IonicContact OE2-NH2 2.79Å; E2492-R2529 PolarHBondContact OE2-NH2 3.12Å; Y2527-R2529 PolarHBondContact O-N 3.23Å; Y2527-R2529 VanDerWaalsContact O-N 3.16Å; R2529-E2531 VanDerWaalsContact C-N 3.3Å; R2529-E2531 PolarHBondContact O-N 3.34Å; R2529-F2534 HydrophobicContact CG-CE2 4.27Å | ||
| 2530 | V | 49.7 | Very low | 71.7 | Confident | 45.8 Ų | 45.8 | 43.2 Ų | 43.2 | 28% | 0.278 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -85.4 | -13.7 | -174.8 | -175.4 | 0 | 0 | 0 | 0 | 110.8 | S2462 D2464 E2492 Y2527 Y2532 F2534 K2573 | S2462-V2530 WeakPolarHBondContact OG-CG2 3.47Å; D2464-V2530 WeakPolarHBondContact O-CG1 3.45Å; E2492-V2530 HydrophobicContact CG-CG2 4.22Å; Y2527-V2530 HydrophobicContact CD1-CG2 4.41Å; Y2527-V2530 PolarHBondContact O-N 2.76Å; V2530-Y2532 WeakPolarHBondContact CB-O 3.42Å; V2530-Y2532 VanDerWaalsContact CG1-O 3.25Å; V2530-Y2532 WeakPolarHBondContact CG1-O 3.44Å; V2530-Y2532 PolarHBondContact O-N 3.27Å; V2530-F2534 HydrophobicContact CB-CD2 4.48Å; V2530-F2534 HydrophobicContact CB-CE2 4.23Å; V2530-F2534 HydrophobicContact CG1-CD1 3.91Å; V2530-F2534 HydrophobicContact CG1-CD2 3.7Å; V2530-F2534 HydrophobicContact CG1-CE1 3.66Å; V2530-F2534 HydrophobicContact CG1-CE2 3.52Å; V2530-F2534 VanDerWaalsContact CG1-CE2 3.43Å; V2530-F2534 HydrophobicContact CG1-CG 3.94Å; V2530-F2534 HydrophobicContact CG1-CZ 3.65Å; V2530-F2534 VanDerWaalsContact CG1-CZ 3.41Å; V2530-F2534 HydrophobicContact CG2-CD2 4.19Å; V2530-F2534 HydrophobicContact CG2-CE2 4.24Å; V2530-K2573 PolarHBondContact O-NZ 3.05Å |
| 2531 | E | 49.8 | Very low | 71.4 | Confident | 91 Ų | 91 | 43 Ų | 43 | 43% | 0.425 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -50.6 | -36.1 | 176.1 | -61.9 | -178 | 170.7 | 0 | 0 | 113.6 | W2467 F2487 R2529 P2533 F2534 K2573 | W2467-E2531 HydrophobicContact CD2-CG 4.49Å; W2467-E2531 HydrophobicContact CH2-CG 4.06Å; W2467-E2531 HydrophobicContact CZ2-CG 3.32Å; W2467-E2531 PolarHBondContact NE1-O 3.32Å; W2467-E2531 PolarHBondContact NE1-OE1 3.33Å; F2487-E2531 VanDerWaalsContact CZ-OE2 3.28Å; F2487-E2531 WeakPolarHBondContact CZ-OE2 3.26Å; R2529-E2531 VanDerWaalsContact C-N 3.3Å; R2529-E2531 PolarHBondContact O-N 3.34Å; E2531-P2533 VanDerWaalsContact O-CD 3.29Å; E2531-P2533 WeakPolarHBondContact O-CD 3.27Å; E2531-F2534 HydrophobicContact CB-CD1 4.27Å; E2531-F2534 HydrophobicContact CB-CD2 4.01Å; E2531-F2534 HydrophobicContact CB-CE1 4.02Å; E2531-F2534 HydrophobicContact CB-CE2 3.79Å; E2531-F2534 HydrophobicContact CB-CG 4.25Å; E2531-F2534 HydrophobicContact CB-CZ 3.78Å; E2531-F2534 HydrophobicContact CG-CZ 4.4Å; E2531-F2534 PolarHBondContact O-N 3.5Å; E2531-F2534 VanDerWaalsContact O-N 3.08Å; E2531-K2573 PolarHBondContact O-NZ 3.18Å |
| 2532 | Y | 58.5 | Low | 71.3 | Confident | 61 Ų | 61 | 40.5 Ų | 40.5 | 24% | 0.239 | 18% | 0.182 | C | C | . | . | trans | -108.7 | 96.2 | -179.5 | -68 | -83.6 | 0 | 0 | 0 | 112.3 | D2464 W2467 W2480 R2483 F2487 V2530 F2534 K2567 L2570 | D2464-Y2532 HydrophobicContact CB-CE2 3.77Å; D2464-Y2532 PolarHBondContact OD1-OH 3.44Å; W2467-Y2532 HydrophobicContact CZ2-CE1 4.13Å; W2480-Y2532 HydrophobicContact CH2-CE1 4.5Å; W2480-Y2532 AromaticContact CZ3-CD1 3.88Å; W2480-Y2532 HydrophobicContact CZ3-CD1 4.12Å; W2480-Y2532 HydrophobicContact CZ3-CE1 4.06Å; R2483-Y2532 HydrophobicContact CB-CE1 4.38Å; R2483-Y2532 VanDerWaalsContact CD-CE1 3.49Å; R2483-Y2532 HydrophobicContact CG-CD1 4.29Å; R2483-Y2532 HydrophobicContact CG-CE1 4.26Å; R2483-Y2532 PolarHBondContact NH1-OH 3.12Å; F2487-Y2532 HydrophobicContact CD2-CD1 4.29Å; F2487-Y2532 HydrophobicContact CD2-CD2 4.34Å; F2487-Y2532 HydrophobicContact CD2-CG 4.27Å; F2487-Y2532 HydrophobicContact CE1-CD2 4.29Å; F2487-Y2532 AromaticContact CE2-CD1 3.52Å; F2487-Y2532 HydrophobicContact CE2-CD1 3.52Å; F2487-Y2532 AromaticContact CE2-CD2 3.63Å; F2487-Y2532 HydrophobicContact CE2-CD2 3.8Å; F2487-Y2532 AromaticContact CE2-CE1 3.77Å; F2487-Y2532 HydrophobicContact CE2-CE1 3.88Å; F2487-Y2532 AromaticContact CE2-CE2 3.57Å; F2487-Y2532 HydrophobicContact CE2-CE2 4.15Å; F2487-Y2532 AromaticContact CE2-CG 3.48Å; F2487-Y2532 HydrophobicContact CE2-CG 3.48Å; F2487-Y2532 VanDerWaalsContact CE2-CG 3.47Å; F2487-Y2532 AromaticContact CE2-CZ 3.84Å; F2487-Y2532 AromaticContact CZ-CD1 3.86Å; F2487-Y2532 HydrophobicContact CZ-CD1 3.86Å; F2487-Y2532 AromaticContact CZ-CD2 3.53Å; F2487-Y2532 HydrophobicContact CZ-CD2 3.53Å; F2487-Y2532 VanDerWaalsContact CZ-CD2 3.48Å; F2487-Y2532 AromaticContact CZ-CE1 3.85Å; F2487-Y2532 HydrophobicContact CZ-CE1 4.08Å; F2487-Y2532 AromaticContact CZ-CE2 3.77Å; F2487-Y2532 HydrophobicContact CZ-CE2 3.77Å; F2487-Y2532 VanDerWaalsContact CZ-CE2 3.47Å; F2487-Y2532 AromaticContact CZ-CG 3.72Å; F2487-Y2532 HydrophobicContact CZ-CG 3.72Å; F2487-Y2532 AromaticContact CZ-CZ 3.96Å; V2530-Y2532 WeakPolarHBondContact CB-O 3.42Å; V2530-Y2532 VanDerWaalsContact CG1-O 3.25Å; V2530-Y2532 WeakPolarHBondContact CG1-O 3.44Å; V2530-Y2532 PolarHBondContact O-N 3.27Å; Y2532-F2534 VanDerWaalsContact C-N 3.32Å; Y2532-F2534 PolarHBondContact O-N 3.09Å; Y2532-F2534 VanDerWaalsContact O-N 3.13Å; Y2532-K2567 HydrophobicContact CE1-CD 4.43Å; Y2532-K2567 HydrophobicContact CE1-CG 4.46Å; Y2532-K2567 VanDerWaalsContact OH-CD 3.29Å; Y2532-K2567 WeakPolarHBondContact OH-CD 3.15Å; Y2532-K2567 VanDerWaalsContact OH-CE 3.23Å; Y2532-K2567 WeakPolarHBondContact OH-CE 3.37Å; Y2532-K2567 PolarHBondContact OH-NZ 3.37Å; Y2532-L2570 HydrophobicContact CD1-CB 4.04Å; Y2532-L2570 HydrophobicContact CD1-CD2 4.17Å; Y2532-L2570 WeakPolarHBondContact O-CD1 3.35Å | ||
| 2533 | P | 68.8 | Low | 71.2 | Confident | 11.6 Ų | 11.6 | 40.8 Ų | 40.8 | 8% | 0.075 | 18% | 0.183 | C | C | . | . | trans | -71.3 | 80.2 | 174 | 2.1 | 4.6 | 0 | 0 | 0 | 111.5 | W2480 E2531 I2535 I2536 C2537 L2570 K2573 | W2480-P2533 HydrophobicContact CE3-CB 4.16Å; W2480-P2533 HydrophobicContact CE3-CG 4.49Å; W2480-P2533 HydrophobicContact CH2-CB 3.86Å; W2480-P2533 HydrophobicContact CH2-CG 3.98Å; W2480-P2533 HydrophobicContact CZ3-CB 3.3Å; W2480-P2533 HydrophobicContact CZ3-CG 3.81Å; E2531-P2533 VanDerWaalsContact O-CD 3.29Å; E2531-P2533 WeakPolarHBondContact O-CD 3.27Å; P2533-I2535 PolarHBondContact O-N 3.09Å; P2533-I2535 VanDerWaalsContact O-N 3.1Å; P2533-I2536 HydrophobicContact CB-CB 4.28Å; P2533-I2536 HydrophobicContact CB-CD1 4.2Å; P2533-I2536 HydrophobicContact CB-CG1 4.24Å; P2533-I2536 HydrophobicContact CG-CB 4.27Å; P2533-I2536 HydrophobicContact CG-CD1 4.1Å; P2533-I2536 HydrophobicContact CG-CG1 4.26Å; P2533-I2536 CarbonylContact O-C 3.3Å; P2533-I2536 WeakPolarHBondContact O-CA 3.26Å; P2533-I2536 WeakPolarHBondContact O-CB 3.36Å; P2533-I2536 PolarHBondContact O-N 2.91Å; P2533-C2537 PolarHBondContact O-N 3.28Å; P2533-C2537 PolarHBondContact O-SG 3.13Å; P2533-L2570 HydrophobicContact CB-CD1 3.49Å; P2533-L2570 VanDerWaalsContact CB-CD1 3.47Å; P2533-L2570 HydrophobicContact CG-CD1 4.02Å; P2533-K2573 HydrophobicContact CG-CD 3.96Å | ||
| 2534 | F | 77.3 | Confident | 71.4 | Confident | 7.2 Ų | 7.2 | 39.8 Ų | 39.8 | 3% | 0.032 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.4 | -29.9 | -175 | -70.6 | -36.9 | 0 | 0 | 0 | 113.9 | F2487 S2490 E2492 F2493 L2496 R2529 V2530 E2531 Y2532 I2536 C2537 L2538 | F2487-F2534 HydrophobicContact CB-CD1 4.42Å; F2487-F2534 HydrophobicContact CB-CE1 3.88Å; F2487-F2534 HydrophobicContact CB-CZ 4.01Å; F2487-F2534 AromaticContact CD1-CE1 3.92Å; F2487-F2534 HydrophobicContact CD1-CE1 3.98Å; F2487-F2534 HydrophobicContact CD1-CZ 4.26Å; F2487-F2534 HydrophobicContact CD2-CE1 4.24Å; F2487-F2534 HydrophobicContact CE1-CE1 4.38Å; F2487-F2534 HydrophobicContact CG-CD1 4.42Å; F2487-F2534 AromaticContact CG-CE1 3.77Å; F2487-F2534 HydrophobicContact CG-CE1 3.77Å; F2487-F2534 HydrophobicContact CG-CZ 4.14Å; S2490-F2534 WeakPolarHBondContact OG-CE2 3.03Å; E2492-F2534 HydrophobicContact CB-CD2 4.38Å; E2492-F2534 HydrophobicContact CB-CE2 3.89Å; E2492-F2534 HydrophobicContact CB-CZ 4.17Å; E2492-F2534 WeakPolarHBondContact OE2-CE2 3.37Å; E2492-F2534 VanDerWaalsContact OE2-CZ 3.28Å; E2492-F2534 WeakPolarHBondContact OE2-CZ 3.13Å; F2493-F2534 HydrophobicContact CB-CD1 4.25Å; F2493-F2534 HydrophobicContact CB-CD2 3.96Å; F2493-F2534 HydrophobicContact CB-CE1 4.24Å; F2493-F2534 HydrophobicContact CB-CE2 3.92Å; F2493-F2534 HydrophobicContact CB-CG 4.42Å; F2493-F2534 HydrophobicContact CB-CZ 4.35Å; F2493-F2534 HydrophobicContact CD2-CB 4.04Å; F2493-F2534 AromaticContact CD2-CD1 3.91Å; F2493-F2534 HydrophobicContact CD2-CD1 4.04Å; F2493-F2534 HydrophobicContact CD2-CD2 4.23Å; F2493-F2534 AromaticContact CD2-CG 3.86Å; F2493-F2534 HydrophobicContact CD2-CG 4.15Å; F2493-F2534 HydrophobicContact CE2-CB 4.49Å; F2493-F2534 HydrophobicContact CG-CD1 4.46Å; L2496-F2534 HydrophobicContact CD2-CB 3.69Å; R2529-F2534 HydrophobicContact CG-CE2 4.27Å; V2530-F2534 HydrophobicContact CB-CD2 4.48Å; V2530-F2534 HydrophobicContact CB-CE2 4.23Å; V2530-F2534 HydrophobicContact CG1-CD1 3.91Å; V2530-F2534 HydrophobicContact CG1-CD2 3.7Å; V2530-F2534 HydrophobicContact CG1-CE1 3.66Å; V2530-F2534 HydrophobicContact CG1-CE2 3.52Å; V2530-F2534 VanDerWaalsContact CG1-CE2 3.43Å; V2530-F2534 HydrophobicContact CG1-CG 3.94Å; V2530-F2534 HydrophobicContact CG1-CZ 3.65Å; V2530-F2534 VanDerWaalsContact CG1-CZ 3.41Å; V2530-F2534 HydrophobicContact CG2-CD2 4.19Å; V2530-F2534 HydrophobicContact CG2-CE2 4.24Å; E2531-F2534 HydrophobicContact CB-CD1 4.27Å; E2531-F2534 HydrophobicContact CB-CD2 4.01Å; E2531-F2534 HydrophobicContact CB-CE1 4.02Å; E2531-F2534 HydrophobicContact CB-CE2 3.79Å; E2531-F2534 HydrophobicContact CB-CG 4.25Å; E2531-F2534 HydrophobicContact CB-CZ 3.78Å; E2531-F2534 HydrophobicContact CG-CZ 4.4Å; E2531-F2534 PolarHBondContact O-N 3.5Å; E2531-F2534 VanDerWaalsContact O-N 3.08Å; Y2532-F2534 VanDerWaalsContact C-N 3.32Å; Y2532-F2534 PolarHBondContact O-N 3.09Å; Y2532-F2534 VanDerWaalsContact O-N 3.13Å; F2534-I2536 VanDerWaalsContact C-N 3.34Å; F2534-I2536 PolarHBondContact O-N 2.92Å; F2534-C2537 PolarHBondContact O-N 2.96Å; F2534-L2538 VanDerWaalsContact O-CB 3.31Å; F2534-L2538 WeakPolarHBondContact O-CB 3.39Å; F2534-L2538 PolarHBondContact O-N 3.08Å |
| 2535 | I | 83.1 | Confident | 71.7 | Confident | 3.2 Ų | 3.2 | 43 Ų | 43 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.6 | -35.8 | 174.3 | -168.4 | 60.9 | 0 | 0 | 0 | 112.8 | L2496 Y2517 Y2522 P2533 L2538 V2539 F2566 L2570 W2574 | L2496-I2535 HydrophobicContact CD1-CD1 4.5Å; L2496-I2535 HydrophobicContact CD2-CB 4.38Å; L2496-I2535 HydrophobicContact CD2-CD1 4.44Å; Y2517-I2535 HydrophobicContact CE2-CD1 4.33Å; Y2522-I2535 HydrophobicContact CD2-CB 4.23Å; Y2522-I2535 HydrophobicContact CD2-CD1 4.28Å; Y2522-I2535 HydrophobicContact CD2-CG1 4.23Å; Y2522-I2535 HydrophobicContact CE2-CB 3.87Å; Y2522-I2535 HydrophobicContact CE2-CG1 4.31Å; Y2522-I2535 HydrophobicContact CE2-CG2 3.99Å; P2533-I2535 PolarHBondContact O-N 3.09Å; P2533-I2535 VanDerWaalsContact O-N 3.1Å; I2535-L2538 HydrophobicContact CD1-CD2 4.37Å; I2535-L2538 PolarHBondContact O-N 3.13Å; I2535-V2539 HydrophobicContact CD1-CG2 4.43Å; I2535-V2539 WeakPolarHBondContact O-CB 3.34Å; I2535-V2539 VanDerWaalsContact O-CG2 3.23Å; I2535-V2539 WeakPolarHBondContact O-CG2 3.31Å; I2535-V2539 PolarHBondContact O-N 3.22Å; I2535-F2566 HydrophobicContact CG1-CZ 4.31Å; I2535-F2566 HydrophobicContact CG2-CE1 4.45Å; I2535-F2566 HydrophobicContact CG2-CZ 4.46Å; I2535-L2570 HydrophobicContact CG2-CD1 4.24Å; I2535-L2570 HydrophobicContact CG2-CD2 4.17Å; I2535-W2574 HydrophobicContact CG1-CZ3 4.29Å; I2535-W2574 HydrophobicContact CG2-CZ3 4.42Å |
| 2536 | I | 81.7 | Confident | 72.5 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.6 | -44.7 | 173.4 | -65.7 | -179.8 | 0 | 0 | 0 | 109.7 | W2480 P2533 F2534 L2538 V2539 S2540 L2570 K2573 W2574 I2577 I2578 | W2480-I2536 HydrophobicContact CB-CG2 4.48Å; W2480-I2536 HydrophobicContact CD2-CG2 4.29Å; W2480-I2536 HydrophobicContact CE3-CG2 4.22Å; W2480-I2536 HydrophobicContact CG-CG2 4.41Å; P2533-I2536 HydrophobicContact CB-CB 4.28Å; P2533-I2536 HydrophobicContact CB-CD1 4.2Å; P2533-I2536 HydrophobicContact CB-CG1 4.24Å; P2533-I2536 HydrophobicContact CG-CB 4.27Å; P2533-I2536 HydrophobicContact CG-CD1 4.1Å; P2533-I2536 HydrophobicContact CG-CG1 4.26Å; P2533-I2536 CarbonylContact O-C 3.3Å; P2533-I2536 WeakPolarHBondContact O-CA 3.26Å; P2533-I2536 WeakPolarHBondContact O-CB 3.36Å; P2533-I2536 PolarHBondContact O-N 2.91Å; F2534-I2536 VanDerWaalsContact C-N 3.34Å; F2534-I2536 PolarHBondContact O-N 2.92Å; I2536-L2538 VanDerWaalsContact C-N 3.32Å; I2536-L2538 PolarHBondContact O-N 3.09Å; I2536-V2539 PolarHBondContact O-N 3.14Å; I2536-S2540 VanDerWaalsContact O-CB 3.27Å; I2536-S2540 WeakPolarHBondContact O-CB 3.35Å; I2536-S2540 PolarHBondContact O-N 3.13Å; I2536-S2540 PolarHBondContact O-OG 2.94Å; I2536-S2540 VanDerWaalsContact O-OG 3.1Å; I2536-L2570 HydrophobicContact CD1-CD1 3.8Å; I2536-L2570 HydrophobicContact CG1-CD1 4.12Å; I2536-K2573 HydrophobicContact CD1-CB 3.79Å; I2536-W2574 HydrophobicContact CB-CZ3 4.47Å; I2536-W2574 HydrophobicContact CD1-CB 4.23Å; I2536-W2574 HydrophobicContact CD1-CE3 4.23Å; I2536-W2574 HydrophobicContact CG1-CD2 4.45Å; I2536-W2574 HydrophobicContact CG1-CE3 3.49Å; I2536-W2574 HydrophobicContact CG1-CZ3 3.85Å; I2536-I2577 HydrophobicContact CD1-CD1 4.24Å; I2536-I2577 HydrophobicContact CG2-CB 4.49Å; I2536-I2577 HydrophobicContact CG2-CD1 4.1Å; I2536-I2577 HydrophobicContact CG2-CG2 4.16Å; I2536-I2578 HydrophobicContact CB-CD1 4.45Å; I2536-I2578 HydrophobicContact CG1-CD1 4.35Å; I2536-I2578 HydrophobicContact CG2-CD1 4.36Å; I2536-I2578 HydrophobicContact CG2-CG1 4.36Å |
| 2537 | C | 79.6 | Confident | 73 | Confident | 0.8 Ų | 0.8 | 37.7 Ų | 37.7 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59 | -46.3 | 176.2 | -61.3 | 0 | 0 | 0 | 0 | 111.6 | V2481 F2487 F2493 P2533 F2534 V2539 S2540 M2541 | V2481-C2537 HydrophobicContact CG1-CB 4.34Å; F2487-C2537 HydrophobicContact CE2-CB 4.03Å; F2487-C2537 HydrophobicContact CZ-CB 4.45Å; F2493-C2537 HydrophobicContact CE2-CB 4.01Å; P2533-C2537 PolarHBondContact O-N 3.28Å; P2533-C2537 PolarHBondContact O-SG 3.13Å; F2534-C2537 PolarHBondContact O-N 2.96Å; C2537-V2539 PolarHBondContact O-N 3.32Å; C2537-S2540 PolarHBondContact O-N 3.18Å; C2537-M2541 WeakPolarHBondContact O-CB 3.37Å; C2537-M2541 VanDerWaalsContact O-CG 3.28Å; C2537-M2541 WeakPolarHBondContact O-CG 3.43Å; C2537-M2541 PolarHBondContact O-N 3.2Å |
| 2538 | L | 84.1 | Confident | 73.8 | Confident | 5.8 Ų | 5.8 | 41.5 Ų | 41.5 | 3% | 0.03 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61 | -47.7 | 178 | 178.6 | 63.4 | 0 | 0 | 0 | 111.5 | F2493 L2496 K2497 F2502 F2534 I2535 I2536 S2540 M2541 T2542 | F2493-L2538 HydrophobicContact CE2-CB 3.98Å; F2493-L2538 HydrophobicContact CE2-CD1 4.39Å; F2493-L2538 HydrophobicContact CZ-CB 4.2Å; F2493-L2538 HydrophobicContact CZ-CD1 4.18Å; L2496-L2538 HydrophobicContact CD2-CD2 4.37Å; L2496-L2538 HydrophobicContact CG-CD2 4.11Å; K2497-L2538 HydrophobicContact CB-CD1 4.31Å; K2497-L2538 HydrophobicContact CD-CD1 4.44Å; K2497-L2538 HydrophobicContact CG-CD1 4.2Å; F2502-L2538 HydrophobicContact CB-CD2 4.32Å; F2502-L2538 HydrophobicContact CB-CG 4.46Å; F2534-L2538 VanDerWaalsContact O-CB 3.31Å; F2534-L2538 WeakPolarHBondContact O-CB 3.39Å; F2534-L2538 PolarHBondContact O-N 3.08Å; I2535-L2538 HydrophobicContact CD1-CD2 4.37Å; I2535-L2538 PolarHBondContact O-N 3.13Å; I2536-L2538 VanDerWaalsContact C-N 3.32Å; I2536-L2538 PolarHBondContact O-N 3.09Å; L2538-S2540 PolarHBondContact O-N 2.76Å; L2538-M2541 PolarHBondContact O-N 2.68Å; L2538-T2542 VanDerWaalsContact O-CB 3.27Å; L2538-T2542 WeakPolarHBondContact O-CB 3.4Å; L2538-T2542 PolarHBondContact O-N 3.05Å; L2538-T2542 PolarHBondContact O-OG1 3.22Å |
| 2539 | V | 87.1 | Confident | 75.2 | Confident | 7.6 Ų | 7.6 | 44.5 Ų | 44.5 | 5% | 0.046 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | 177.8 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | F2502 I2535 I2536 C2537 M2541 T2542 L2543 W2574 I2578 | F2502-V2539 HydrophobicContact CB-CG2 4.08Å; F2502-V2539 HydrophobicContact CD1-CB 4.25Å; F2502-V2539 HydrophobicContact CD1-CG1 4.44Å; F2502-V2539 HydrophobicContact CD1-CG2 3.67Å; F2502-V2539 VanDerWaalsContact CD1-CG2 3.5Å; F2502-V2539 HydrophobicContact CD2-CG2 3.99Å; F2502-V2539 HydrophobicContact CE1-CB 4.26Å; F2502-V2539 HydrophobicContact CE1-CG1 4.1Å; F2502-V2539 HydrophobicContact CE1-CG2 4.03Å; F2502-V2539 HydrophobicContact CE2-CG2 4.29Å; F2502-V2539 HydrophobicContact CG-CG2 3.64Å; F2502-V2539 VanDerWaalsContact CG-CG2 3.48Å; F2502-V2539 HydrophobicContact CZ-CG1 4.17Å; F2502-V2539 HydrophobicContact CZ-CG2 4.35Å; I2535-V2539 HydrophobicContact CD1-CG2 4.43Å; I2535-V2539 WeakPolarHBondContact O-CB 3.34Å; I2535-V2539 VanDerWaalsContact O-CG2 3.23Å; I2535-V2539 WeakPolarHBondContact O-CG2 3.31Å; I2535-V2539 PolarHBondContact O-N 3.22Å; I2536-V2539 PolarHBondContact O-N 3.14Å; C2537-V2539 PolarHBondContact O-N 3.32Å; V2539-M2541 PolarHBondContact O-N 3.43Å; V2539-T2542 PolarHBondContact O-N 3.21Å; V2539-L2543 HydrophobicContact CG1-CD1 3.71Å; V2539-L2543 HydrophobicContact CG1-CG 4.26Å; V2539-L2543 WeakPolarHBondContact O-CB 3.37Å; V2539-L2543 VanDerWaalsContact O-CG 3.3Å; V2539-L2543 WeakPolarHBondContact O-CG 3.37Å; V2539-L2543 PolarHBondContact O-N 3.2Å; V2539-W2574 HydrophobicContact CB-CH2 3.9Å; V2539-W2574 HydrophobicContact CB-CZ3 4.4Å; V2539-W2574 HydrophobicContact CG1-CH2 3.87Å; V2539-W2574 HydrophobicContact CG1-CZ2 4.26Å; V2539-W2574 HydrophobicContact CG2-CH2 3.59Å; V2539-W2574 HydrophobicContact CG2-CZ3 4.24Å; V2539-I2578 HydrophobicContact CB-CD1 4.13Å; V2539-I2578 HydrophobicContact CG1-CD1 4.06Å; V2539-I2578 HydrophobicContact CG1-CG1 4.39Å; V2539-I2578 HydrophobicContact CG1-CG2 4.4Å |
| 2540 | S | 83 | Confident | 77.1 | Confident | 6 Ų | 6 | 42.4 Ų | 42.4 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.2 | -51 | 178.1 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | L2477 V2481 I2536 C2537 L2538 T2542 L2543 D2544 I2578 | L2477-S2540 WeakPolarHBondContact CD1-OG 3.42Å; V2481-S2540 WeakPolarHBondContact CG2-O 3.46Å; I2536-S2540 VanDerWaalsContact O-CB 3.27Å; I2536-S2540 WeakPolarHBondContact O-CB 3.35Å; I2536-S2540 PolarHBondContact O-N 3.13Å; I2536-S2540 PolarHBondContact O-OG 2.94Å; I2536-S2540 VanDerWaalsContact O-OG 3.1Å; C2537-S2540 PolarHBondContact O-N 3.18Å; L2538-S2540 PolarHBondContact O-N 2.76Å; S2540-T2542 VanDerWaalsContact C-N 3.28Å; S2540-T2542 PolarHBondContact O-N 3.26Å; S2540-L2543 PolarHBondContact O-N 3.15Å; S2540-D2544 WeakPolarHBondContact O-CB 3.43Å; S2540-D2544 PolarHBondContact O-N 3.06Å; S2540-I2578 WeakPolarHBondContact OG-CD1 3.35Å |
| 2541 | M | 82.8 | Confident | 79.2 | Confident | 33 Ų | 33 | 40.6 Ų | 40.6 | 16% | 0.163 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.9 | -35.3 | 176.9 | -69.3 | 178.3 | 80.4 | 0 | 0 | 113.1 | G2484 Y2485 F2487 R2488 F2493 C2537 L2538 V2539 D2544 | G2484-M2541 VanDerWaalsContact CA-SD 3.5Å; G2484-M2541 WeakPolarHBondContact CA-SD 3.41Å; G2484-M2541 VanDerWaalsContact O-SD 3.38Å; Y2485-M2541 HydrophobicContact CD1-CE 3.44Å; Y2485-M2541 VanDerWaalsContact CD1-CE 3.44Å; Y2485-M2541 HydrophobicContact CD2-CE 4.15Å; Y2485-M2541 HydrophobicContact CE1-CE 3.53Å; Y2485-M2541 VanDerWaalsContact CE1-CE 3.47Å; Y2485-M2541 HydrophobicContact CE2-CE 4.23Å; Y2485-M2541 HydrophobicContact CG-CE 3.76Å; F2487-M2541 HydrophobicContact CE2-SD 4.24Å; R2488-M2541 HydrophobicContact CG-CE 4.49Å; R2488-M2541 HydrophobicContact CG-SD 4.48Å; R2488-M2541 VanDerWaalsContact CZ-CE 3.5Å; F2493-M2541 HydrophobicContact CE1-CE 4.39Å; F2493-M2541 HydrophobicContact CE1-SD 4.02Å; F2493-M2541 HydrophobicContact CE2-SD 4.47Å; F2493-M2541 HydrophobicContact CZ-CE 4.44Å; F2493-M2541 HydrophobicContact CZ-SD 3.61Å; F2493-M2541 VanDerWaalsContact CZ-SD 3.54Å; C2537-M2541 WeakPolarHBondContact O-CB 3.37Å; C2537-M2541 VanDerWaalsContact O-CG 3.28Å; C2537-M2541 WeakPolarHBondContact O-CG 3.43Å; C2537-M2541 PolarHBondContact O-N 3.2Å; L2538-M2541 PolarHBondContact O-N 2.68Å; V2539-M2541 PolarHBondContact O-N 3.43Å; M2541-D2544 WeakPolarHBondContact O-CB 3.36Å; M2541-D2544 PolarHBondContact O-N 2.75Å |
| 2542 | T | 85.8 | Confident | 81.3 | Confident | 30.8 Ų | 30.8 | 36.2 Ų | 36.2 | 19% | 0.189 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -75.8 | -33.1 | -178.8 | -52.8 | 0 | 0 | 0 | 0 | 111.3 | F2502 Q2504 F2515 L2538 V2539 S2540 | F2502-T2542 HydrophobicContact CD1-CG2 4.01Å; F2502-T2542 HydrophobicContact CE1-CG2 3.87Å; Q2504-T2542 HydrophobicContact CB-CG2 4.31Å; F2515-T2542 HydrophobicContact CD1-CG2 4.07Å; F2515-T2542 HydrophobicContact CE1-CG2 3.94Å; F2515-T2542 WeakPolarHBondContact CE1-O 3.41Å; L2538-T2542 VanDerWaalsContact O-CB 3.27Å; L2538-T2542 WeakPolarHBondContact O-CB 3.4Å; L2538-T2542 PolarHBondContact O-N 3.05Å; L2538-T2542 PolarHBondContact O-OG1 3.22Å; V2539-T2542 PolarHBondContact O-N 3.21Å; S2540-T2542 VanDerWaalsContact C-N 3.28Å; S2540-T2542 PolarHBondContact O-N 3.26Å |
| 2543 | L | 85.6 | Confident | 83 | Confident | 8.8 Ų | 8.8 | 34 Ų | 34 | 5% | 0.046 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -77.1 | -27.2 | 173.6 | -69.6 | 174.6 | 0 | 0 | 0 | 113.1 | F2515 V2539 S2540 A2545 Y2546 R2547 F2551 V2581 | F2515-L2543 HydrophobicContact CD1-CD2 4.25Å; F2515-L2543 HydrophobicContact CD2-CD2 4.3Å; F2515-L2543 HydrophobicContact CE1-CD2 3.92Å; F2515-L2543 HydrophobicContact CE2-CD2 3.98Å; F2515-L2543 HydrophobicContact CG-CD2 4.41Å; F2515-L2543 HydrophobicContact CZ-CD2 3.77Å; V2539-L2543 HydrophobicContact CG1-CD1 3.71Å; V2539-L2543 HydrophobicContact CG1-CG 4.26Å; V2539-L2543 WeakPolarHBondContact O-CB 3.37Å; V2539-L2543 VanDerWaalsContact O-CG 3.3Å; V2539-L2543 WeakPolarHBondContact O-CG 3.37Å; V2539-L2543 PolarHBondContact O-N 3.2Å; S2540-L2543 PolarHBondContact O-N 3.15Å; L2543-A2545 VanDerWaalsContact C-N 3.32Å; L2543-A2545 PolarHBondContact O-N 3.24Å; L2543-Y2546 CarbonylContact O-C 3.54Å; L2543-Y2546 VanDerWaalsContact O-C 3.29Å; L2543-Y2546 WeakPolarHBondContact O-CA 3.34Å; L2543-Y2546 PolarHBondContact O-N 3.25Å; L2543-R2547 PolarHBondContact O-N 3.24Å; L2543-R2547 VanDerWaalsContact O-N 3.12Å; L2543-F2551 HydrophobicContact CD1-CZ 4.4Å; L2543-F2551 HydrophobicContact CD2-CD1 4.46Å; L2543-F2551 HydrophobicContact CD2-CD2 4.33Å; L2543-F2551 HydrophobicContact CD2-CE1 4.06Å; L2543-F2551 HydrophobicContact CD2-CE2 3.89Å; L2543-F2551 HydrophobicContact CD2-CZ 3.74Å; L2543-V2581 HydrophobicContact CD1-CG1 4.5Å |
| 2544 | D | 82.2 | Confident | 84.3 | Confident | 49.4 Ų | 49.4 | 33.5 Ų | 33.5 | 26% | 0.264 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.3 | -37.5 | -175.9 | -165.1 | 55 | 0 | 0 | 0 | 113.1 | V2481 S2540 M2541 Y2546 R2547 | V2481-D2544 HydrophobicContact CG1-CB 4.16Å; V2481-D2544 VanDerWaalsContact CG1-CG 3.49Å; V2481-D2544 HydrophobicContact CG2-CB 3.8Å; V2481-D2544 WeakPolarHBondContact CG2-OD1 3.3Å; S2540-D2544 WeakPolarHBondContact O-CB 3.43Å; S2540-D2544 PolarHBondContact O-N 3.06Å; M2541-D2544 WeakPolarHBondContact O-CB 3.36Å; M2541-D2544 PolarHBondContact O-N 2.75Å; D2544-Y2546 PolarHBondContact O-N 3.08Å; D2544-Y2546 VanDerWaalsContact O-N 3.1Å; D2544-R2547 WeakPolarHBondContact O-CB 3.27Å; D2544-R2547 WeakPolarHBondContact O-CG 3.46Å; D2544-R2547 PolarHBondContact O-N 3.15Å; D2544-R2547 VanDerWaalsContact O-N 3.1Å; D2544-R2547 IonicContact OD1-CZ 3.1Å; D2544-R2547 VanDerWaalsContact OD1-CZ 3.25Å; D2544-R2547 IonicContact OD1-NE 3.21Å; D2544-R2547 PolarHBondContact OD1-NE 3.36Å; D2544-R2547 IonicContact OD1-NH2 3.34Å; D2544-R2547 PolarHBondContact OD1-NH2 3.07Å |
| 2545 | A | 78.7 | Confident | 85.1 | Confident | 76.8 Ų | 76.8 | 34.8 Ų | 34.8 | 64% | 0.635 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -15.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L2543 | L2543-A2545 VanDerWaalsContact C-N 3.32Å; L2543-A2545 PolarHBondContact O-N 3.24Å |
| 2546 | Y | 80.5 | Confident | 85.7 | Confident | 65.6 Ų | 65.6 | 34.6 Ų | 34.6 | 26% | 0.257 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | 18.1 | -178.8 | -60.9 | -86.4 | 0 | 0 | 0 | 112.3 | Q2504 P2513 F2515 L2543 D2544 N2548 K2549 | Q2504-Y2546 HydrophobicContact CB-CE2 4.35Å; Q2504-Y2546 VanDerWaalsContact CD-OH 3.28Å; Q2504-Y2546 HydrophobicContact CG-CD2 4.46Å; Q2504-Y2546 HydrophobicContact CG-CE2 3.77Å; Q2504-Y2546 PolarHBondContact OE1-OH 3.07Å; Q2504-Y2546 VanDerWaalsContact OE1-OH 3.06Å; P2513-Y2546 HydrophobicContact CB-CD1 3.85Å; P2513-Y2546 HydrophobicContact CB-CE1 3.79Å; P2513-Y2546 HydrophobicContact CB-CG 4.47Å; P2513-Y2546 HydrophobicContact CG-CD1 3.71Å; P2513-Y2546 HydrophobicContact CG-CE1 4.16Å; P2513-Y2546 HydrophobicContact CG-CG 4.33Å; F2515-Y2546 AromaticContact CE1-CD2 3.98Å; F2515-Y2546 HydrophobicContact CE1-CD2 4.05Å; F2515-Y2546 HydrophobicContact CE1-CE2 4.32Å; F2515-Y2546 AromaticContact CZ-CD2 3.51Å; F2515-Y2546 HydrophobicContact CZ-CD2 3.51Å; F2515-Y2546 VanDerWaalsContact CZ-CD2 3.49Å; F2515-Y2546 HydrophobicContact CZ-CE2 4.13Å; F2515-Y2546 AromaticContact CZ-CG 3.85Å; F2515-Y2546 HydrophobicContact CZ-CG 3.85Å; L2543-Y2546 CarbonylContact O-C 3.54Å; L2543-Y2546 VanDerWaalsContact O-C 3.29Å; L2543-Y2546 WeakPolarHBondContact O-CA 3.34Å; L2543-Y2546 PolarHBondContact O-N 3.25Å; D2544-Y2546 PolarHBondContact O-N 3.08Å; D2544-Y2546 VanDerWaalsContact O-N 3.1Å; Y2546-N2548 PolarHBondContact O-N 3.01Å; Y2546-K2549 WeakPolarHBondContact O-CB 3.36Å; Y2546-K2549 PolarHBondContact O-N 2.92Å; Y2546-K2549 VanDerWaalsContact O-N 3.13Å |
| 2547 | R | 71.4 | Confident | 86.3 | Confident | 100.2 Ų | 100.2 | 36.5 Ų | 36.5 | 38% | 0.378 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 138.9 | 179.6 | -154.8 | 171.2 | -159 | -136.3 | 0.3 | 111.7 | E2478 L2543 D2544 K2549 | E2478-R2547 VanDerWaalsContact CD-CZ 3.49Å; E2478-R2547 VanDerWaalsContact CG-NH1 3.29Å; E2478-R2547 VanDerWaalsContact CG-NH2 3.28Å; E2478-R2547 IonicContact OE1-CZ 3.22Å; E2478-R2547 IonicContact OE1-NH1 3.45Å; E2478-R2547 PolarHBondContact OE1-NH1 3.02Å; E2478-R2547 IonicContact OE1-NH2 3.21Å; E2478-R2547 PolarHBondContact OE1-NH2 3.11Å; E2478-R2547 IonicContact OE2-CZ 3.03Å; E2478-R2547 IonicContact OE2-NH1 3.26Å; E2478-R2547 IonicContact OE2-NH2 3.61Å; E2478-R2547 PolarHBondContact OE2-NH2 3.45Å; E2478-R2547 VanDerWaalsContact OE2-NH2 3.11Å; L2543-R2547 PolarHBondContact O-N 3.24Å; L2543-R2547 VanDerWaalsContact O-N 3.12Å; D2544-R2547 WeakPolarHBondContact O-CB 3.27Å; D2544-R2547 WeakPolarHBondContact O-CG 3.46Å; D2544-R2547 PolarHBondContact O-N 3.15Å; D2544-R2547 VanDerWaalsContact O-N 3.1Å; D2544-R2547 IonicContact OD1-CZ 3.1Å; D2544-R2547 VanDerWaalsContact OD1-CZ 3.25Å; D2544-R2547 IonicContact OD1-NE 3.21Å; D2544-R2547 PolarHBondContact OD1-NE 3.36Å; D2544-R2547 IonicContact OD1-NH2 3.34Å; D2544-R2547 PolarHBondContact OD1-NH2 3.07Å; R2547-K2549 VanDerWaalsContact C-N 3.27Å; R2547-K2549 PolarHBondContact O-N 3.04Å |
| 2548 | N | 76.4 | Confident | 86.9 | Confident | 102 Ų | 102 | 36.5 Ų | 36.5 | 55% | 0.545 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 16.7 | -179.7 | -52.2 | -6.6 | 0 | 0 | 0 | 115.4 | Y2546 Y2585 | Y2546-N2548 PolarHBondContact O-N 3.01Å; N2548-Y2585 VanDerWaalsContact CA-CE1 3.46Å; N2548-Y2585 HydrophobicContact CB-CE1 4.29Å; N2548-Y2585 PolarHBondContact OD1-OH 3.29Å |
| 2549 | K | 83.5 | Confident | 87.2 | Confident | 118 Ų | 118 | 37.7 Ų | 37.7 | 51% | 0.513 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -110.5 | 146.8 | 173 | -63.9 | 177.2 | -178.2 | 172.3 | 0 | 110.9 | Y2546 R2547 | Y2546-K2549 WeakPolarHBondContact O-CB 3.36Å; Y2546-K2549 PolarHBondContact O-N 2.92Å; Y2546-K2549 VanDerWaalsContact O-N 3.13Å; R2547-K2549 VanDerWaalsContact C-N 3.27Å; R2547-K2549 PolarHBondContact O-N 3.04Å |
| 2550 | P | 89.7 | Confident | 87.3 | Confident | 65.4 Ų | 65.4 | 37.7 Ų | 37.7 | 43% | 0.425 | 20% | 0.196 | S | C | . | . | trans | -61.9 | 142.9 | 169.8 | 27.1 | -33.9 | 0 | 0 | 0 | 110.7 | N2512 P2513 Y2585 V2587 | N2512-P2550 WeakPolarHBondContact OD1-CB 3.45Å; N2512-P2550 WeakPolarHBondContact OD1-CG 3.27Å; P2513-P2550 WeakPolarHBondContact CD-O 3.35Å; P2550-Y2585 VanDerWaalsContact CA-O 3.32Å; P2550-Y2585 WeakPolarHBondContact CA-O 3.34Å; P2550-V2587 HydrophobicContact CB-CG2 3.61Å | ||
| 2551 | F | 93 | Very high | 87.4 | Confident | 6.4 Ų | 6.4 | 39.1 Ų | 39.1 | 3% | 0.028 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 165.3 | 177.4 | 66.7 | -95 | 0 | 0 | 0 | 113.4 | P2513 F2515 L2543 V2553 V2581 L2582 Y2585 L2586 V2587 | P2513-F2551 HydrophobicContact CG-CB 3.95Å; F2515-F2551 HydrophobicContact CD2-CB 4.08Å; F2515-F2551 AromaticContact CD2-CD2 3.81Å; F2515-F2551 HydrophobicContact CD2-CD2 3.81Å; F2515-F2551 HydrophobicContact CD2-CG 4.19Å; F2515-F2551 HydrophobicContact CE2-CB 3.66Å; F2515-F2551 AromaticContact CE2-CD2 3.96Å; F2515-F2551 HydrophobicContact CE2-CD2 3.97Å; F2515-F2551 AromaticContact CE2-CG 3.89Å; F2515-F2551 HydrophobicContact CE2-CG 3.89Å; L2543-F2551 HydrophobicContact CD1-CZ 4.4Å; L2543-F2551 HydrophobicContact CD2-CD1 4.46Å; L2543-F2551 HydrophobicContact CD2-CD2 4.33Å; L2543-F2551 HydrophobicContact CD2-CE1 4.06Å; L2543-F2551 HydrophobicContact CD2-CE2 3.89Å; L2543-F2551 HydrophobicContact CD2-CZ 3.74Å; F2551-V2553 HydrophobicContact CD2-CG2 3.89Å; F2551-V2553 HydrophobicContact CE2-CG2 3.74Å; F2551-V2581 HydrophobicContact CE1-CG1 4.27Å; F2551-V2581 HydrophobicContact CZ-CG1 4.41Å; F2551-L2582 HydrophobicContact CE2-CD2 3.99Å; F2551-L2582 HydrophobicContact CZ-CD2 3.93Å; F2551-Y2585 PolarHBondContact N-O 3.16Å; F2551-Y2585 VanDerWaalsContact N-O 3.1Å; F2551-L2586 HydrophobicContact CD2-CD1 4.13Å; F2551-L2586 HydrophobicContact CE2-CD1 3.91Å; F2551-L2586 CarbonylContact O-C 3.46Å; F2551-L2586 WeakPolarHBondContact O-CA 3.29Å; F2551-V2587 PolarHBondContact O-N 3.34Å |
| 2552 | E | 94.6 | Very high | 87.3 | Confident | 0.4 Ų | 0.4 | 40.8 Ų | 40.8 | 0% | 0.002 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 152 | 179.4 | -68.8 | 171.9 | -138.3 | 0 | 0 | 110.9 | S2508 N2512 P2513 V2514 F2515 V2587 A2588 Y2590 | S2508-E2552 VanDerWaalsContact CB-CD 3.44Å; S2508-E2552 VanDerWaalsContact CB-OE1 3.27Å; S2508-E2552 WeakPolarHBondContact CB-OE1 3.26Å; S2508-E2552 WeakPolarHBondContact CB-OE2 3.36Å; S2508-E2552 VanDerWaalsContact OG-CD 3.25Å; S2508-E2552 PolarHBondContact OG-OE1 3.07Å; S2508-E2552 PolarHBondContact OG-OE2 3.08Å; N2512-E2552 HydrophobicContact CB-CG 4.11Å; N2512-E2552 WeakPolarHBondContact CB-OE1 3.25Å; N2512-E2552 PolarHBondContact ND2-OE1 3.08Å; P2513-E2552 PolarHBondContact O-N 3.08Å; P2513-E2552 VanDerWaalsContact O-N 3.08Å; V2514-E2552 WeakPolarHBondContact CA-O 3.44Å; V2514-E2552 HydrophobicContact CG2-CB 4.4Å; F2515-E2552 PolarHBondContact N-O 3.21Å; E2552-V2587 HydrophobicContact CG-CB 3.94Å; E2552-V2587 HydrophobicContact CG-CG1 4.43Å; E2552-A2588 WeakPolarHBondContact CA-O 3.32Å; E2552-A2588 HydrophobicContact CG-CB 4.36Å; E2552-Y2590 HydrophobicContact CB-CE2 4.1Å; E2552-Y2590 HydrophobicContact CG-CE2 4.46Å; E2552-Y2590 VanDerWaalsContact OE2-CE2 3.23Å; E2552-Y2590 WeakPolarHBondContact OE2-CE2 3.38Å; E2552-Y2590 VanDerWaalsContact OE2-CZ 3.3Å; E2552-Y2590 PolarHBondContact OE2-OH 3.16Å |
| 2553 | V | 94.2 | Very high | 87 | Confident | 14 Ų | 14 | 43.5 Ų | 43.5 | 9% | 0.085 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 133.9 | -177 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | F2515 F2551 I2555 L2586 A2588 A2589 Y2590 | F2515-V2553 HydrophobicContact CB-CG2 4.38Å; F2515-V2553 CarbonylContact O-C 3.56Å; F2515-V2553 VanDerWaalsContact O-CA 3.3Å; F2515-V2553 WeakPolarHBondContact O-CA 3.3Å; F2551-V2553 HydrophobicContact CD2-CG2 3.89Å; F2551-V2553 HydrophobicContact CE2-CG2 3.74Å; V2553-I2555 HydrophobicContact CG1-CD1 4.41Å; V2553-I2555 HydrophobicContact CG1-CG1 3.93Å; V2553-L2586 HydrophobicContact CB-CD1 4.16Å; V2553-L2586 HydrophobicContact CG2-CD1 3.59Å; V2553-A2588 PolarHBondContact N-O 2.98Å; V2553-A2589 HydrophobicContact CB-CB 4.5Å; V2553-A2589 CarbonylContact O-C 3.52Å; V2553-A2589 VanDerWaalsContact O-CA 3.26Å; V2553-A2589 WeakPolarHBondContact O-CA 3.45Å; V2553-Y2590 WeakPolarHBondContact O-CD2 3.28Å; V2553-Y2590 PolarHBondContact O-N 3.11Å |
| 2554 | V | 95.3 | Very high | 87 | Confident | 1.6 Ų | 1.6 | 43.5 Ų | 43.5 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 126.5 | 167.4 | -179.6 | 0 | 0 | 0 | 0 | 108.5 | V2514 F2515 Y2516 Y2517 Y2590 L2627 I2631 L2638 | V2514-V2554 HydrophobicContact CG1-CG2 3.76Å; F2515-V2554 PolarHBondContact O-N 2.9Å; Y2516-V2554 CarbonylContact C-O 3.59Å; Y2516-V2554 WeakPolarHBondContact CA-O 3.36Å; Y2516-V2554 HydrophobicContact CD1-CB 3.68Å; Y2516-V2554 HydrophobicContact CD1-CG1 3.86Å; Y2516-V2554 HydrophobicContact CD1-CG2 4.28Å; Y2516-V2554 HydrophobicContact CE1-CB 3.74Å; Y2516-V2554 HydrophobicContact CE1-CG1 3.83Å; Y2516-V2554 HydrophobicContact CE1-CG2 3.86Å; Y2516-V2554 HydrophobicContact CG-CB 4.32Å; Y2517-V2554 PolarHBondContact N-O 3Å; V2554-Y2590 CarbonylContact C-O 3.53Å; V2554-Y2590 WeakPolarHBondContact CA-O 3.3Å; V2554-Y2590 HydrophobicContact CG2-CD2 3.94Å; V2554-Y2590 HydrophobicContact CG2-CG 4.48Å; V2554-L2627 HydrophobicContact CG2-CD1 4.39Å; V2554-L2627 HydrophobicContact CG2-CD2 4.48Å; V2554-I2631 HydrophobicContact CG2-CD1 3.81Å; V2554-L2638 HydrophobicContact CG1-CD2 4Å |
| 2555 | I | 95.2 | Very high | 87 | Confident | 33.4 Ų | 33.4 | 45 Ų | 45 | 17% | 0.171 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 111.3 | 178.4 | -58.9 | 177 | 0 | 0 | 0 | 108.2 | Y2517 V2553 F2557 Y2590 I2591 Y2592 | Y2517-I2555 HydrophobicContact CD1-CG2 4.14Å; Y2517-I2555 WeakPolarHBondContact O-CA 3.48Å; V2553-I2555 HydrophobicContact CG1-CD1 4.41Å; V2553-I2555 HydrophobicContact CG1-CG1 3.93Å; I2555-F2557 HydrophobicContact CG2-CD1 4.19Å; I2555-F2557 HydrophobicContact CG2-CD2 3.88Å; I2555-F2557 HydrophobicContact CG2-CE1 3.87Å; I2555-F2557 HydrophobicContact CG2-CE2 3.54Å; I2555-F2557 VanDerWaalsContact CG2-CE2 3.49Å; I2555-F2557 HydrophobicContact CG2-CG 4.19Å; I2555-F2557 HydrophobicContact CG2-CZ 3.53Å; I2555-F2557 VanDerWaalsContact CG2-CZ 3.47Å; I2555-Y2590 PolarHBondContact N-O 3.14Å; I2555-I2591 HydrophobicContact CD1-CG1 4.48Å; I2555-Y2592 PolarHBondContact O-N 3.14Å |
| 2556 | D | 94.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 106.4 | 175.2 | -178.7 | 14.1 | 0 | 0 | 0 | 110.1 | Y2517 I2518 A2519 R2520 T2558 T2642 | Y2517-D2556 PolarHBondContact O-N 3.08Å; I2518-D2556 HydrophobicContact CD1-CB 3.68Å; A2519-D2556 PolarHBondContact N-O 3.21Å; A2519-D2556 VanDerWaalsContact N-O 3.1Å; R2520-D2556 IonicContact CZ-OD2 3.55Å; R2520-D2556 IonicContact NH1-OD1 3.04Å; R2520-D2556 IonicContact NH1-OD2 3.09Å; R2520-D2556 PolarHBondContact NH1-OD2 2.98Å; R2520-D2556 IonicContact NH2-OD2 2.71Å; D2556-T2558 WeakPolarHBondContact OD1-CB 3.36Å; D2556-T2558 PolarHBondContact OD1-N 3.15Å; D2556-T2558 PolarHBondContact OD1-OG1 3.08Å; D2556-T2642 WeakPolarHBondContact OD2-CG2 3.45Å; D2556-T2642 PolarHBondContact OD2-OG1 3.19Å |
| 2557 | F | 94.5 | Very high | 87.1 | Confident | 40 Ų | 40 | 43.3 Ų | 43.3 | 18% | 0.175 | 21% | 0.21 | C | C | . | . | trans | -92.8 | 7.1 | 175 | -74.4 | -54.7 | 0 | 0 | 0 | 114.1 | A2519 I2555 H2559 T2560 I2591 Y2592 N2593 V2598 | A2519-F2557 HydrophobicContact CB-CD1 3.74Å; A2519-F2557 HydrophobicContact CB-CE1 4.12Å; I2555-F2557 HydrophobicContact CG2-CD1 4.19Å; I2555-F2557 HydrophobicContact CG2-CD2 3.88Å; I2555-F2557 HydrophobicContact CG2-CE1 3.87Å; I2555-F2557 HydrophobicContact CG2-CE2 3.54Å; I2555-F2557 VanDerWaalsContact CG2-CE2 3.49Å; I2555-F2557 HydrophobicContact CG2-CG 4.19Å; I2555-F2557 HydrophobicContact CG2-CZ 3.53Å; I2555-F2557 VanDerWaalsContact CG2-CZ 3.47Å; F2557-H2559 PolarHBondContact O-N 3.22Å; F2557-H2559 VanDerWaalsContact O-N 3.14Å; F2557-T2560 VanDerWaalsContact CA-OG1 3.22Å; F2557-T2560 WeakPolarHBondContact CA-OG1 3.31Å; F2557-T2560 HydrophobicContact CD1-CG2 4.2Å; F2557-T2560 WeakPolarHBondContact O-CB 3.41Å; F2557-T2560 PolarHBondContact O-N 3.03Å; F2557-T2560 PolarHBondContact O-OG1 3.22Å; F2557-I2591 HydrophobicContact CD2-CG2 3.61Å; F2557-I2591 HydrophobicContact CE2-CG2 3.7Å; F2557-Y2592 PolarHBondContact N-O 3.21Å; F2557-N2593 CarbonylContact C-O 3.52Å; F2557-N2593 VanDerWaalsContact CB-O 3.3Å; F2557-N2593 WeakPolarHBondContact CB-O 3.36Å; F2557-V2598 HydrophobicContact CB-CG2 4.18Å; F2557-V2598 HydrophobicContact CD1-CG2 3.76Å; F2557-V2598 HydrophobicContact CD2-CG1 4.15Å; F2557-V2598 HydrophobicContact CD2-CG2 4.34Å; F2557-V2598 HydrophobicContact CE1-CG1 4.49Å; F2557-V2598 HydrophobicContact CE1-CG2 4.17Å; F2557-V2598 HydrophobicContact CE2-CG1 4.02Å; F2557-V2598 HydrophobicContact CG-CG1 4.44Å; F2557-V2598 HydrophobicContact CG-CG2 3.86Å; F2557-V2598 HydrophobicContact CZ-CG1 4.23Å | ||
| 2558 | T | 92.2 | Very high | 87.1 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 123.4 | 173.4 | -58.8 | 0 | 0 | 0 | 0 | 110.6 | R2520 D2556 T2560 N2593 L2645 | R2520-T2558 WeakPolarHBondContact CB-O 3.44Å; R2520-T2558 VanDerWaalsContact CD-O 3.28Å; R2520-T2558 WeakPolarHBondContact CD-O 3.34Å; R2520-T2558 PolarHBondContact NH1-O 3.14Å; D2556-T2558 WeakPolarHBondContact OD1-CB 3.36Å; D2556-T2558 PolarHBondContact OD1-N 3.15Å; D2556-T2558 PolarHBondContact OD1-OG1 3.08Å; T2558-T2560 VanDerWaalsContact C-N 3.29Å; T2558-T2560 PolarHBondContact O-N 3.09Å; T2558-N2593 WeakPolarHBondContact CB-ND2 3.36Å; T2558-N2593 VanDerWaalsContact OG1-CB 3.3Å; T2558-N2593 WeakPolarHBondContact OG1-CB 3.38Å; T2558-N2593 PolarHBondContact OG1-ND2 3.02Å; T2558-L2645 HydrophobicContact CG2-CD1 3.35Å |
| 2559 | H | 90.1 | Very high | 86.7 | Confident | 32 Ų | 32 | 38.8 Ų | 38.8 | 15% | 0.148 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 39.9 | -178.2 | -163.8 | -107.5 | 0 | 0 | 0 | 114.6 | R2520 F2557 S2561 V2694 Y2696 E2699 | R2520-H2559 HydrophobicContact CB-CB 4.39Å; R2520-H2559 VanDerWaalsContact CB-O 3.28Å; R2520-H2559 WeakPolarHBondContact CB-O 3.17Å; F2557-H2559 PolarHBondContact O-N 3.22Å; F2557-H2559 VanDerWaalsContact O-N 3.14Å; H2559-S2561 PolarHBondContact O-N 2.69Å; H2559-V2694 PolarHBondContact CD2-O 2.94Å; H2559-V2694 VanDerWaalsContact CD2-O 3.32Å; H2559-Y2696 HydrophobicContact CB-CD2 4.44Å; H2559-Y2696 HydrophobicContact CB-CE2 3.75Å; H2559-Y2696 AromaticContact CD2-CD2 3.56Å; H2559-Y2696 VanDerWaalsContact CD2-CD2 3.41Å; H2559-Y2696 WeakPolarHBondContact CD2-CD2 3.35Å; H2559-Y2696 AromaticContact CD2-CE2 3.71Å; H2559-Y2696 AromaticContact CE1-CD2 3.65Å; H2559-Y2696 AromaticContact CE1-CE2 3.91Å; H2559-Y2696 AromaticContact CG-CD2 3.69Å; H2559-Y2696 AromaticContact CG-CE2 3.36Å; H2559-Y2696 AromaticContact ND1-CD2 3.73Å; H2559-Y2696 AromaticContact ND1-CE2 3.48Å; H2559-Y2696 WeakPolarHBondContact ND1-CE2 3.42Å; H2559-Y2696 AromaticContact NE2-CD2 3.55Å; H2559-Y2696 WeakPolarHBondContact NE2-CD2 3.33Å; H2559-Y2696 AromaticContact NE2-CE2 3.95Å; H2559-E2699 IonicContact CD2-OE2 2.96Å; H2559-E2699 IonicContact CE1-OE1 2.94Å; H2559-E2699 PolarHBondContact CE1-OE1 2.83Å; H2559-E2699 VanDerWaalsContact CE1-OE1 3.28Å; H2559-E2699 IonicContact CE1-OE2 3.14Å; H2559-E2699 IonicContact NE2-OE1 3.24Å; H2559-E2699 PolarHBondContact NE2-OE1 3.23Å; H2559-E2699 IonicContact NE2-OE2 2.83Å; H2559-E2699 PolarHBondContact NE2-OE2 3.3Å |
| 2560 | T | 90 | Very high | 86.3 | Confident | 6.2 Ų | 6.2 | 33.4 Ų | 33.4 | 4% | 0.038 | 17% | 0.171 | C | C | . | . | trans | -84.4 | 123.4 | 173.3 | -51.1 | 0 | 0 | 0 | 0 | 110.9 | A2519 F2557 T2558 N2564 N2595 W2597 V2598 | A2519-T2560 HydrophobicContact CB-CG2 3.97Å; A2519-T2560 WeakPolarHBondContact CB-OG1 3.3Å; F2557-T2560 VanDerWaalsContact CA-OG1 3.22Å; F2557-T2560 WeakPolarHBondContact CA-OG1 3.31Å; F2557-T2560 HydrophobicContact CD1-CG2 4.2Å; F2557-T2560 WeakPolarHBondContact O-CB 3.41Å; F2557-T2560 PolarHBondContact O-N 3.03Å; F2557-T2560 PolarHBondContact O-OG1 3.22Å; T2558-T2560 VanDerWaalsContact C-N 3.29Å; T2558-T2560 PolarHBondContact O-N 3.09Å; T2560-N2564 HydrophobicContact CG2-CB 3.94Å; T2560-N2595 PolarHBondContact O-ND2 3.06Å; T2560-W2597 HydrophobicContact CG2-CE3 3.89Å; T2560-W2597 HydrophobicContact CG2-CZ3 3.62Å; T2560-V2598 HydrophobicContact CG2-CG2 4.26Å | ||
| 2561 | S | 84.7 | Confident | 85.8 | Confident | 36 Ų | 36 | 30.6 Ų | 30.6 | 25% | 0.252 | 15% | 0.152 | S | C | . | . | trans | -127.9 | -175.2 | -178.2 | 77.6 | 0 | 0 | 0 | 0 | 112.6 | H2559 E2563 N2564 W2597 | H2559-S2561 PolarHBondContact O-N 2.69Å; S2561-E2563 PolarHBondContact O-N 3.16Å; S2561-E2563 VanDerWaalsContact O-N 3.11Å; S2561-E2563 PolarHBondContact OG-N 3.26Å; S2561-N2564 PolarHBondContact N-OD1 3.17Å; S2561-N2564 VanDerWaalsContact N-OD1 3.14Å; S2561-N2564 PolarHBondContact O-N 2.89Å; S2561-N2564 VanDerWaalsContact O-N 3.08Å; S2561-N2564 PolarHBondContact OG-OD1 3.13Å; S2561-W2597 WeakPolarHBondContact O-CZ2 3.26Å | ||
| 2562 | V | 81.5 | Confident | 84.8 | Confident | 69 Ų | 69 | 33.3 Ų | 33.3 | 42% | 0.418 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -51.5 | -31.2 | 174.3 | -179.1 | 0 | 0 | 0 | 0 | 112.5 | N2564 R2565 W2597 | V2562-N2564 VanDerWaalsContact C-N 3.28Å; V2562-N2564 PolarHBondContact O-N 3.09Å; V2562-R2565 VanDerWaalsContact CG1-NH1 3.28Å; V2562-R2565 VanDerWaalsContact O-CD 3.27Å; V2562-R2565 WeakPolarHBondContact O-CD 3.34Å; V2562-R2565 VanDerWaalsContact O-CG 3.28Å; V2562-R2565 WeakPolarHBondContact O-CG 3.36Å; V2562-R2565 PolarHBondContact O-N 3.46Å; V2562-R2565 PolarHBondContact O-NE 2.69Å; V2562-W2597 VanDerWaalsContact CG2-NE1 3.29Å |
| 2563 | E | 79.3 | Confident | 83.8 | Confident | 86.8 Ų | 86.8 | 35.8 Ų | 35.8 | 41% | 0.406 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -68.9 | -24.5 | 179.9 | -60.4 | -160.8 | 155.1 | 0 | 0 | 113.6 | K2523 S2524 S2561 | K2523-E2563 HydrophobicContact CD-CB 4.29Å; K2523-E2563 WeakPolarHBondContact CE-OE2 3.3Å; K2523-E2563 IonicContact NZ-OE2 2.74Å; K2523-E2563 PolarHBondContact NZ-OE2 2.91Å; S2524-E2563 VanDerWaalsContact CB-O 3.3Å; S2524-E2563 WeakPolarHBondContact CB-O 3.38Å; S2524-E2563 PolarHBondContact N-O 3.04Å; S2561-E2563 PolarHBondContact O-N 3.16Å; S2561-E2563 VanDerWaalsContact O-N 3.11Å; S2561-E2563 PolarHBondContact OG-N 3.26Å |
| 2564 | N | 85.1 | Confident | 83.1 | Confident | 8.4 Ų | 8.4 | 38.1 Ų | 38.1 | 5% | 0.045 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -95.4 | -3.3 | -173.8 | -50.4 | 112.3 | 0 | 0 | 0 | 113.6 | A2519 R2520 Y2522 T2560 S2561 V2562 | A2519-N2564 PolarHBondContact O-ND2 2.77Å; R2520-N2564 VanDerWaalsContact C-ND2 3.31Å; R2520-N2564 WeakPolarHBondContact CA-ND2 3.39Å; R2520-N2564 PolarHBondContact O-ND2 3.03Å; R2520-N2564 VanDerWaalsContact O-ND2 3.15Å; Y2522-N2564 VanDerWaalsContact O-CA 3.3Å; Y2522-N2564 WeakPolarHBondContact O-CA 3.39Å; Y2522-N2564 WeakPolarHBondContact O-CB 3.4Å; Y2522-N2564 PolarHBondContact O-ND2 3.08Å; T2560-N2564 HydrophobicContact CG2-CB 3.94Å; S2561-N2564 PolarHBondContact N-OD1 3.17Å; S2561-N2564 VanDerWaalsContact N-OD1 3.14Å; S2561-N2564 PolarHBondContact O-N 2.89Å; S2561-N2564 VanDerWaalsContact O-N 3.08Å; S2561-N2564 PolarHBondContact OG-OD1 3.13Å; V2562-N2564 VanDerWaalsContact C-N 3.28Å; V2562-N2564 PolarHBondContact O-N 3.09Å |
| 2565 | R | 82.4 | Confident | 82.2 | Confident | 81.2 Ų | 81.2 | 39.8 Ų | 39.8 | 31% | 0.306 | 20% | 0.199 | S | C | . | . | P | Polyproline II helix | trans | -65.2 | 146.1 | -171.5 | 77 | -170.2 | -176.7 | -163.2 | 2.7 | 113.3 | E1979 S2524 V2562 W2597 Y2601 | E1979-R2565 VanDerWaalsContact CD-NH2 3.31Å; E1979-R2565 IonicContact OE1-CZ 2.65Å; E1979-R2565 VanDerWaalsContact OE1-CZ 3.26Å; E1979-R2565 IonicContact OE1-NH1 2.64Å; E1979-R2565 PolarHBondContact OE1-NH1 3.09Å; E1979-R2565 IonicContact OE1-NH2 2.78Å; E1979-R2565 PolarHBondContact OE1-NH2 3.33Å; E1979-R2565 IonicContact OE2-CZ 3.28Å; E1979-R2565 IonicContact OE2-NH1 3.24Å; E1979-R2565 PolarHBondContact OE2-NH1 2.98Å; E1979-R2565 IonicContact OE2-NH2 2.72Å; E1979-R2565 PolarHBondContact OE2-NH2 3.09Å; S2524-R2565 VanDerWaalsContact CB-O 3.28Å; S2524-R2565 WeakPolarHBondContact CB-O 3.38Å; S2524-R2565 PolarHBondContact OG-O 3.18Å; V2562-R2565 VanDerWaalsContact CG1-NH1 3.28Å; V2562-R2565 VanDerWaalsContact O-CD 3.27Å; V2562-R2565 WeakPolarHBondContact O-CD 3.34Å; V2562-R2565 VanDerWaalsContact O-CG 3.28Å; V2562-R2565 WeakPolarHBondContact O-CG 3.36Å; V2562-R2565 PolarHBondContact O-N 3.46Å; V2562-R2565 PolarHBondContact O-NE 2.69Å; R2565-W2597 HydrophobicContact CB-CH2 3.61Å; R2565-W2597 HydrophobicContact CB-CZ2 3.75Å; R2565-Y2601 HydrophobicContact CB-CD2 4.43Å; R2565-Y2601 HydrophobicContact CB-CE2 3.97Å |
| 2566 | F | 84.5 | Confident | 81.1 | Confident | 25.4 Ų | 25.4 | 43.1 Ų | 43.1 | 11% | 0.111 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -82.9 | 136 | 160.3 | -63.4 | -12.9 | 0 | 0 | 0 | 108.8 | Y2517 Y2522 I2535 L2570 L2571 W2574 Y2601 | Y2517-F2566 HydrophobicContact CE2-CZ 4.49Å; Y2517-F2566 AromaticContact CZ-CZ 3.94Å; Y2517-F2566 WeakPolarHBondContact OH-CE1 3.31Å; Y2517-F2566 WeakPolarHBondContact OH-CZ 3.33Å; Y2522-F2566 AromaticContact CD1-CD1 4Å; Y2522-F2566 HydrophobicContact CD1-CD1 4.05Å; Y2522-F2566 AromaticContact CD1-CE1 3.67Å; Y2522-F2566 HydrophobicContact CD1-CE1 3.67Å; Y2522-F2566 AromaticContact CE1-CD1 3.63Å; Y2522-F2566 HydrophobicContact CE1-CD1 3.63Å; Y2522-F2566 AromaticContact CE1-CE1 3.58Å; Y2522-F2566 HydrophobicContact CE1-CE1 3.58Å; Y2522-F2566 VanDerWaalsContact CE1-CE1 3.4Å; Y2522-F2566 HydrophobicContact CE2-CE1 4.47Å; Y2522-F2566 HydrophobicContact CG-CE1 4.22Å; Y2522-F2566 AromaticContact CZ-CE1 3.94Å; I2535-F2566 HydrophobicContact CG1-CZ 4.31Å; I2535-F2566 HydrophobicContact CG2-CE1 4.45Å; I2535-F2566 HydrophobicContact CG2-CZ 4.46Å; F2566-L2570 HydrophobicContact CB-CB 4.35Å; F2566-L2570 HydrophobicContact CB-CD2 3.94Å; F2566-L2570 HydrophobicContact CB-CG 4.19Å; F2566-L2570 HydrophobicContact CD1-CD2 3.53Å; F2566-L2570 VanDerWaalsContact CD1-CD2 3.49Å; F2566-L2570 HydrophobicContact CD1-CG 4.44Å; F2566-L2570 HydrophobicContact CD2-CD2 4.38Å; F2566-L2570 HydrophobicContact CD2-CG 4.34Å; F2566-L2570 HydrophobicContact CE1-CD2 4.1Å; F2566-L2570 HydrophobicContact CG-CD2 3.7Å; F2566-L2570 HydrophobicContact CG-CG 4.14Å; F2566-L2571 HydrophobicContact CB-CD2 3.98Å; F2566-L2571 HydrophobicContact CB-CG 3.96Å; F2566-L2571 HydrophobicContact CD2-CD2 4.17Å; F2566-L2571 HydrophobicContact CG-CD2 4.48Å; F2566-W2574 HydrophobicContact CE2-CD2 4.22Å; F2566-W2574 HydrophobicContact CE2-CE3 4.24Å; F2566-W2574 HydrophobicContact CE2-CZ3 4.29Å; F2566-W2574 HydrophobicContact CZ-CZ3 4.41Å; F2566-Y2601 PolarHBondContact N-OH 3.24Å; F2566-Y2601 PolarHBondContact O-OH 3.2Å; F2566-Y2601 VanDerWaalsContact O-OH 3.1Å |
| 2567 | K | 76 | Confident | 80.1 | Confident | 81.2 Ų | 81.2 | 43.6 Ų | 43.6 | 35% | 0.353 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -79.4 | 162.2 | 171.3 | -56.1 | -178 | -172.4 | 169.8 | 0 | 110.3 | D2464 S2524 Q2528 Y2532 D2569 L2570 L2571 | D2464-K2567 IonicContact OD1-NZ 2.68Å; D2464-K2567 PolarHBondContact OD1-NZ 3.49Å; D2464-K2567 IonicContact OD2-NZ 3.73Å; D2464-K2567 PolarHBondContact OD2-NZ 3.48Å; S2524-K2567 VanDerWaalsContact OG-CE 3.3Å; S2524-K2567 WeakPolarHBondContact OG-CE 3.44Å; Q2528-K2567 VanDerWaalsContact OE1-CD 3.25Å; Y2532-K2567 HydrophobicContact CE1-CD 4.43Å; Y2532-K2567 HydrophobicContact CE1-CG 4.46Å; Y2532-K2567 VanDerWaalsContact OH-CD 3.29Å; Y2532-K2567 WeakPolarHBondContact OH-CD 3.15Å; Y2532-K2567 VanDerWaalsContact OH-CE 3.23Å; Y2532-K2567 WeakPolarHBondContact OH-CE 3.37Å; Y2532-K2567 PolarHBondContact OH-NZ 3.37Å; K2567-D2569 VanDerWaalsContact C-N 3.3Å; K2567-D2569 WeakPolarHBondContact CB-OD1 3.36Å; K2567-D2569 PolarHBondContact O-N 3.07Å; K2567-D2569 VanDerWaalsContact O-N 3.16Å; K2567-L2570 WeakPolarHBondContact O-CA 3.17Å; K2567-L2570 WeakPolarHBondContact O-CB 3.28Å; K2567-L2570 PolarHBondContact O-N 3.09Å; K2567-L2571 PolarHBondContact O-N 3.05Å; K2567-L2571 VanDerWaalsContact O-N 3.08Å |
| 2568 | N | 72 | Confident | 79.4 | Confident | 49.4 Ų | 49.4 | 41.8 Ų | 41.8 | 26% | 0.264 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -49 | -46 | -179.5 | -80.5 | -26 | 0 | 0 | 0 | 113.7 | D2410 L2570 L2571 N2572 H2605 | D2410-N2568 PolarHBondContact OD2-ND2 2.97Å; N2568-L2570 VanDerWaalsContact C-N 3.3Å; N2568-L2570 PolarHBondContact O-N 3.21Å; N2568-L2571 WeakPolarHBondContact O-CB 3.3Å; N2568-L2571 PolarHBondContact O-N 3.17Å; N2568-N2572 VanDerWaalsContact O-CB 3.3Å; N2568-N2572 WeakPolarHBondContact O-CB 3.35Å; N2568-N2572 VanDerWaalsContact O-CG 3.28Å; N2568-N2572 PolarHBondContact O-N 3.23Å; N2568-N2572 PolarHBondContact O-ND2 2.97Å; N2568-N2572 VanDerWaalsContact O-ND2 3.12Å; N2568-H2605 PolarHBondContact OD1-CD2 3.07Å; N2568-H2605 PolarHBondContact OD1-CE1 2.81Å; N2568-H2605 PolarHBondContact OD1-ND1 3.11Å; N2568-H2605 PolarHBondContact OD1-NE2 3.12Å |
| 2569 | D | 67.5 | Low | 78.8 | Confident | 58 Ų | 58 | 42.7 Ų | 42.7 | 31% | 0.31 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.5 | -42 | 176 | -54.7 | -2.3 | 0 | 0 | 0 | 113.1 | C2465 N2468 K2567 K2573 | C2465-D2569 PolarHBondContact SG-OD2 2.93Å; N2468-D2569 PolarHBondContact ND2-OD2 2.63Å; K2567-D2569 VanDerWaalsContact C-N 3.3Å; K2567-D2569 WeakPolarHBondContact CB-OD1 3.36Å; K2567-D2569 PolarHBondContact O-N 3.07Å; K2567-D2569 VanDerWaalsContact O-N 3.16Å; D2569-K2573 WeakPolarHBondContact O-CB 3.34Å; D2569-K2573 VanDerWaalsContact O-CG 3.26Å; D2569-K2573 WeakPolarHBondContact O-CG 3.37Å; D2569-K2573 PolarHBondContact O-N 3.03Å; D2569-K2573 VanDerWaalsContact O-N 3.12Å |
| 2570 | L | 76.5 | Confident | 78.1 | Confident | 5.8 Ų | 5.8 | 44.3 Ų | 44.3 | 3% | 0.03 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -74.9 | -40.7 | -179.5 | -179 | 59.8 | 0 | 0 | 0 | 111.5 | Y2522 Q2528 Y2532 P2533 I2535 I2536 F2566 K2567 N2568 N2572 K2573 W2574 | Y2522-L2570 WeakPolarHBondContact OH-CD2 3.31Å; Q2528-L2570 HydrophobicContact CG-CD2 4.2Å; Y2532-L2570 HydrophobicContact CD1-CB 4.04Å; Y2532-L2570 HydrophobicContact CD1-CD2 4.17Å; Y2532-L2570 WeakPolarHBondContact O-CD1 3.35Å; P2533-L2570 HydrophobicContact CB-CD1 3.49Å; P2533-L2570 VanDerWaalsContact CB-CD1 3.47Å; P2533-L2570 HydrophobicContact CG-CD1 4.02Å; I2535-L2570 HydrophobicContact CG2-CD1 4.24Å; I2535-L2570 HydrophobicContact CG2-CD2 4.17Å; I2536-L2570 HydrophobicContact CD1-CD1 3.8Å; I2536-L2570 HydrophobicContact CG1-CD1 4.12Å; F2566-L2570 HydrophobicContact CB-CB 4.35Å; F2566-L2570 HydrophobicContact CB-CD2 3.94Å; F2566-L2570 HydrophobicContact CB-CG 4.19Å; F2566-L2570 HydrophobicContact CD1-CD2 3.53Å; F2566-L2570 VanDerWaalsContact CD1-CD2 3.49Å; F2566-L2570 HydrophobicContact CD1-CG 4.44Å; F2566-L2570 HydrophobicContact CD2-CD2 4.38Å; F2566-L2570 HydrophobicContact CD2-CG 4.34Å; F2566-L2570 HydrophobicContact CE1-CD2 4.1Å; F2566-L2570 HydrophobicContact CG-CD2 3.7Å; F2566-L2570 HydrophobicContact CG-CG 4.14Å; K2567-L2570 WeakPolarHBondContact O-CA 3.17Å; K2567-L2570 WeakPolarHBondContact O-CB 3.28Å; K2567-L2570 PolarHBondContact O-N 3.09Å; N2568-L2570 VanDerWaalsContact C-N 3.3Å; N2568-L2570 PolarHBondContact O-N 3.21Å; L2570-N2572 VanDerWaalsContact C-N 3.34Å; L2570-N2572 PolarHBondContact O-N 2.71Å; L2570-K2573 PolarHBondContact O-N 3.11Å; L2570-W2574 VanDerWaalsContact O-CB 3.3Å; L2570-W2574 WeakPolarHBondContact O-CB 3.38Å; L2570-W2574 PolarHBondContact O-N 3.22Å |
| 2571 | L | 78.4 | Confident | 77.6 | Confident | 5.4 Ų | 5.4 | 45.3 Ų | 45.3 | 3% | 0.028 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.5 | -50 | 172.8 | -74.2 | 172.7 | 0 | 0 | 0 | 110.8 | F2566 K2567 N2568 K2573 W2574 A2575 Y2601 H2605 F2608 F2609 | F2566-L2571 HydrophobicContact CB-CD2 3.98Å; F2566-L2571 HydrophobicContact CB-CG 3.96Å; F2566-L2571 HydrophobicContact CD2-CD2 4.17Å; F2566-L2571 HydrophobicContact CG-CD2 4.48Å; K2567-L2571 PolarHBondContact O-N 3.05Å; K2567-L2571 VanDerWaalsContact O-N 3.08Å; N2568-L2571 WeakPolarHBondContact O-CB 3.3Å; N2568-L2571 PolarHBondContact O-N 3.17Å; L2571-K2573 VanDerWaalsContact C-N 3.34Å; L2571-K2573 PolarHBondContact O-N 3.21Å; L2571-W2574 CarbonylContact O-C 3.57Å; L2571-W2574 WeakPolarHBondContact O-CA 3.48Å; L2571-W2574 WeakPolarHBondContact O-CB 3.38Å; L2571-W2574 PolarHBondContact O-N 3.01Å; L2571-W2574 VanDerWaalsContact O-N 3.13Å; L2571-A2575 PolarHBondContact O-N 3Å; L2571-Y2601 WeakPolarHBondContact CD1-OH 3.45Å; L2571-H2605 HydrophobicContact CD1-CB 4.46Å; L2571-H2605 WeakPolarHBondContact CD1-CD2 3.38Å; L2571-F2608 VanDerWaalsContact C-CE2 3.46Å; L2571-F2608 HydrophobicContact CB-CD2 4.12Å; L2571-F2608 HydrophobicContact CB-CE1 4.41Å; L2571-F2608 HydrophobicContact CB-CE2 3.78Å; L2571-F2608 HydrophobicContact CB-CZ 3.99Å; L2571-F2608 HydrophobicContact CD2-CD1 4.17Å; L2571-F2608 HydrophobicContact CD2-CE1 3.82Å; L2571-F2608 HydrophobicContact CD2-CE2 4.27Å; L2571-F2608 HydrophobicContact CD2-CG 4.45Å; L2571-F2608 HydrophobicContact CD2-CZ 3.99Å; L2571-F2608 HydrophobicContact CG-CZ 4.46Å; L2571-F2608 VanDerWaalsContact O-CE2 3.27Å; L2571-F2608 WeakPolarHBondContact O-CE2 3.29Å; L2571-F2608 VanDerWaalsContact O-CZ 3.27Å; L2571-F2608 WeakPolarHBondContact O-CZ 3.41Å; L2571-F2609 HydrophobicContact CD2-CZ 4.39Å |
| 2572 | N | 72 | Confident | 77.5 | Confident | 63.2 Ų | 63.2 | 45.6 Ų | 45.6 | 34% | 0.338 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 179.5 | -71.6 | -29.3 | 0 | 0 | 0 | 111.9 | D2411 N2568 L2570 W2574 A2575 N2576 | D2411-N2572 PolarHBondContact OD2-ND2 3.42Å; N2568-N2572 VanDerWaalsContact O-CB 3.3Å; N2568-N2572 WeakPolarHBondContact O-CB 3.35Å; N2568-N2572 VanDerWaalsContact O-CG 3.28Å; N2568-N2572 PolarHBondContact O-N 3.23Å; N2568-N2572 PolarHBondContact O-ND2 2.97Å; N2568-N2572 VanDerWaalsContact O-ND2 3.12Å; L2570-N2572 VanDerWaalsContact C-N 3.34Å; L2570-N2572 PolarHBondContact O-N 2.71Å; N2572-W2574 VanDerWaalsContact C-N 3.34Å; N2572-W2574 PolarHBondContact O-N 3.04Å; N2572-A2575 PolarHBondContact O-N 3.04Å; N2572-N2576 WeakPolarHBondContact O-CB 3.22Å; N2572-N2576 VanDerWaalsContact O-CG 3.28Å; N2572-N2576 PolarHBondContact O-N 2.82Å; N2572-N2576 VanDerWaalsContact O-N 3.15Å; N2572-N2576 PolarHBondContact O-ND2 3.15Å; N2572-N2576 VanDerWaalsContact O-ND2 3.1Å |
| 2573 | K | 73.2 | Confident | 77.5 | Confident | 53.6 Ų | 53.6 | 50.9 Ų | 50.9 | 23% | 0.233 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 172.6 | -73.6 | 176.4 | -179.8 | -177.3 | 0 | 111.3 | N2468 V2530 E2531 P2533 I2536 D2569 L2570 L2571 A2575 N2576 I2577 | N2468-K2573 WeakPolarHBondContact OD1-CE 3.44Å; N2468-K2573 PolarHBondContact OD1-NZ 2.95Å; V2530-K2573 PolarHBondContact O-NZ 3.05Å; E2531-K2573 PolarHBondContact O-NZ 3.18Å; P2533-K2573 HydrophobicContact CG-CD 3.96Å; I2536-K2573 HydrophobicContact CD1-CB 3.79Å; D2569-K2573 WeakPolarHBondContact O-CB 3.34Å; D2569-K2573 VanDerWaalsContact O-CG 3.26Å; D2569-K2573 WeakPolarHBondContact O-CG 3.37Å; D2569-K2573 PolarHBondContact O-N 3.03Å; D2569-K2573 VanDerWaalsContact O-N 3.12Å; L2570-K2573 PolarHBondContact O-N 3.11Å; L2571-K2573 VanDerWaalsContact C-N 3.34Å; L2571-K2573 PolarHBondContact O-N 3.21Å; K2573-A2575 PolarHBondContact O-N 3.29Å; K2573-N2576 PolarHBondContact O-N 3.08Å; K2573-I2577 HydrophobicContact CB-CD1 4.26Å; K2573-I2577 WeakPolarHBondContact O-CB 3.36Å; K2573-I2577 VanDerWaalsContact O-CD1 3.29Å; K2573-I2577 WeakPolarHBondContact O-CD1 3.4Å; K2573-I2577 VanDerWaalsContact O-CG1 3.27Å; K2573-I2577 WeakPolarHBondContact O-CG1 3.3Å; K2573-I2577 PolarHBondContact O-N 3.21Å |
| 2574 | W | 80.2 | Confident | 77.6 | Confident | 62 Ų | 62 | 53.3 Ų | 53.3 | 24% | 0.235 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.9 | -43.9 | -180 | -167.5 | 48.2 | 0 | 0 | 0 | 112.8 | I2535 I2536 V2539 F2566 L2570 L2571 N2572 N2576 I2577 I2578 G2579 L2582 F2608 | I2535-W2574 HydrophobicContact CG1-CZ3 4.29Å; I2535-W2574 HydrophobicContact CG2-CZ3 4.42Å; I2536-W2574 HydrophobicContact CB-CZ3 4.47Å; I2536-W2574 HydrophobicContact CD1-CB 4.23Å; I2536-W2574 HydrophobicContact CD1-CE3 4.23Å; I2536-W2574 HydrophobicContact CG1-CD2 4.45Å; I2536-W2574 HydrophobicContact CG1-CE3 3.49Å; I2536-W2574 HydrophobicContact CG1-CZ3 3.85Å; V2539-W2574 HydrophobicContact CB-CH2 3.9Å; V2539-W2574 HydrophobicContact CB-CZ3 4.4Å; V2539-W2574 HydrophobicContact CG1-CH2 3.87Å; V2539-W2574 HydrophobicContact CG1-CZ2 4.26Å; V2539-W2574 HydrophobicContact CG2-CH2 3.59Å; V2539-W2574 HydrophobicContact CG2-CZ3 4.24Å; F2566-W2574 HydrophobicContact CE2-CD2 4.22Å; F2566-W2574 HydrophobicContact CE2-CE3 4.24Å; F2566-W2574 HydrophobicContact CE2-CZ3 4.29Å; F2566-W2574 HydrophobicContact CZ-CZ3 4.41Å; L2570-W2574 VanDerWaalsContact O-CB 3.3Å; L2570-W2574 WeakPolarHBondContact O-CB 3.38Å; L2570-W2574 PolarHBondContact O-N 3.22Å; L2571-W2574 CarbonylContact O-C 3.57Å; L2571-W2574 WeakPolarHBondContact O-CA 3.48Å; L2571-W2574 WeakPolarHBondContact O-CB 3.38Å; L2571-W2574 PolarHBondContact O-N 3.01Å; L2571-W2574 VanDerWaalsContact O-N 3.13Å; N2572-W2574 VanDerWaalsContact C-N 3.34Å; N2572-W2574 PolarHBondContact O-N 3.04Å; W2574-N2576 VanDerWaalsContact C-N 3.33Å; W2574-N2576 PolarHBondContact O-N 3.16Å; W2574-I2577 PolarHBondContact O-N 3.06Å; W2574-I2578 HydrophobicContact CD2-CB 4.28Å; W2574-I2578 HydrophobicContact CD2-CG1 4.12Å; W2574-I2578 HydrophobicContact CD2-CG2 4.48Å; W2574-I2578 HydrophobicContact CE3-CG1 4.35Å; W2574-I2578 HydrophobicContact CG-CB 4.37Å; W2574-I2578 HydrophobicContact CG-CD1 4.3Å; W2574-I2578 HydrophobicContact CG-CG1 4.46Å; W2574-I2578 HydrophobicContact CH2-CG1 4.42Å; W2574-I2578 HydrophobicContact CH2-CG2 4.47Å; W2574-I2578 HydrophobicContact CZ2-CB 4.38Å; W2574-I2578 HydrophobicContact CZ2-CG1 4.31Å; W2574-I2578 HydrophobicContact CZ2-CG2 4.08Å; W2574-I2578 HydrophobicContact CZ3-CG1 4.45Å; W2574-I2578 WeakPolarHBondContact O-CA 3.43Å; W2574-I2578 WeakPolarHBondContact O-CB 3.34Å; W2574-I2578 PolarHBondContact O-N 3.05Å; W2574-G2579 PolarHBondContact O-N 3.13Å; W2574-G2579 VanDerWaalsContact O-N 3.12Å; W2574-L2582 HydrophobicContact CH2-CD1 3.7Å; W2574-L2582 HydrophobicContact CZ2-CD1 3.86Å; W2574-L2582 HydrophobicContact CZ3-CD1 4.09Å; W2574-F2608 HydrophobicContact CE3-CE1 4.23Å; W2574-F2608 AromaticContact CE3-CZ 3.95Å; W2574-F2608 HydrophobicContact CE3-CZ 4.21Å; W2574-F2608 HydrophobicContact CZ3-CE1 4.3Å; W2574-F2608 HydrophobicContact CZ3-CZ 4.44Å |
| 2575 | A | 76.1 | Confident | 77.7 | Confident | 37 Ų | 37 | 55.4 Ų | 55.4 | 31% | 0.306 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.6 | -34.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L2571 N2572 K2573 G2579 P2580 F2608 | L2571-A2575 PolarHBondContact O-N 3Å; N2572-A2575 PolarHBondContact O-N 3.04Å; K2573-A2575 PolarHBondContact O-N 3.29Å; A2575-G2579 VanDerWaalsContact O-CA 3.3Å; A2575-G2579 WeakPolarHBondContact O-CA 3.43Å; A2575-G2579 PolarHBondContact O-N 3.28Å; A2575-P2580 WeakPolarHBondContact O-CD 3.44Å; A2575-F2608 HydrophobicContact CB-CD2 4.36Å; A2575-F2608 HydrophobicContact CB-CE2 3.44Å; A2575-F2608 VanDerWaalsContact CB-CE2 3.48Å; A2575-F2608 HydrophobicContact CB-CZ 3.73Å |
| 2576 | N | 72.2 | Confident | 78 | Confident | 102.8 Ų | 102.8 | 52.4 Ų | 52.4 | 55% | 0.55 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -76.9 | -31.5 | 179.9 | -71.2 | -16.5 | 0 | 0 | 0 | 113.1 | T2475 N2572 K2573 W2574 | T2475-N2576 WeakPolarHBondContact CB-O 3.3Å; T2475-N2576 HydrophobicContact CG2-CB 4.35Å; N2572-N2576 WeakPolarHBondContact O-CB 3.22Å; N2572-N2576 VanDerWaalsContact O-CG 3.28Å; N2572-N2576 PolarHBondContact O-N 2.82Å; N2572-N2576 VanDerWaalsContact O-N 3.15Å; N2572-N2576 PolarHBondContact O-ND2 3.15Å; N2572-N2576 VanDerWaalsContact O-ND2 3.1Å; K2573-N2576 PolarHBondContact O-N 3.08Å; W2574-N2576 VanDerWaalsContact C-N 3.33Å; W2574-N2576 PolarHBondContact O-N 3.16Å |
| 2577 | I | 74.7 | Confident | 78.4 | Confident | 11.4 Ų | 11.4 | 53.9 Ų | 53.9 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -99.7 | -52 | -173.7 | -58 | 159 | 0 | 0 | 0 | 111.6 | L2477 W2480 I2536 K2573 W2574 | L2477-I2577 HydrophobicContact CD1-CD1 4.13Å; L2477-I2577 HydrophobicContact CD1-CG1 4.5Å; L2477-I2577 HydrophobicContact CD1-CG2 4.3Å; L2477-I2577 HydrophobicContact CD2-CD1 3.35Å; L2477-I2577 HydrophobicContact CD2-CG1 3.76Å; L2477-I2577 HydrophobicContact CD2-CG2 4.14Å; L2477-I2577 HydrophobicContact CG-CD1 4.37Å; W2480-I2577 HydrophobicContact CB-CG2 4.42Å; W2480-I2577 HydrophobicContact CD2-CD1 3.99Å; W2480-I2577 HydrophobicContact CG-CD1 4.33Å; W2480-I2577 HydrophobicContact CG-CG2 3.97Å; W2480-I2577 HydrophobicContact CH2-CD1 4.35Å; W2480-I2577 HydrophobicContact CZ2-CD1 3.56Å; W2480-I2577 VanDerWaalsContact CZ2-CD1 3.5Å; W2480-I2577 VanDerWaalsContact NE1-CD1 3.32Å; I2536-I2577 HydrophobicContact CD1-CD1 4.24Å; I2536-I2577 HydrophobicContact CG2-CB 4.49Å; I2536-I2577 HydrophobicContact CG2-CD1 4.1Å; I2536-I2577 HydrophobicContact CG2-CG2 4.16Å; K2573-I2577 HydrophobicContact CB-CD1 4.26Å; K2573-I2577 WeakPolarHBondContact O-CB 3.36Å; K2573-I2577 VanDerWaalsContact O-CD1 3.29Å; K2573-I2577 WeakPolarHBondContact O-CD1 3.4Å; K2573-I2577 VanDerWaalsContact O-CG1 3.27Å; K2573-I2577 WeakPolarHBondContact O-CG1 3.3Å; K2573-I2577 PolarHBondContact O-N 3.21Å; W2574-I2577 PolarHBondContact O-N 3.06Å |
| 2578 | I | 79.8 | Confident | 79.2 | Confident | 2.2 Ų | 2.2 | 50.4 Ų | 50.4 | 1% | 0.011 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -93.7 | -27.4 | -175 | -57.8 | -72.6 | 0 | 0 | 0 | 111.1 | L2477 I2536 V2539 S2540 W2574 V2581 L2582 | L2477-I2578 HydrophobicContact CD1-CD1 3.76Å; L2477-I2578 HydrophobicContact CD1-CG1 4.36Å; I2536-I2578 HydrophobicContact CB-CD1 4.45Å; I2536-I2578 HydrophobicContact CG1-CD1 4.35Å; I2536-I2578 HydrophobicContact CG2-CD1 4.36Å; I2536-I2578 HydrophobicContact CG2-CG1 4.36Å; V2539-I2578 HydrophobicContact CB-CD1 4.13Å; V2539-I2578 HydrophobicContact CG1-CD1 4.06Å; V2539-I2578 HydrophobicContact CG1-CG1 4.39Å; V2539-I2578 HydrophobicContact CG1-CG2 4.4Å; S2540-I2578 WeakPolarHBondContact OG-CD1 3.35Å; W2574-I2578 HydrophobicContact CD2-CB 4.28Å; W2574-I2578 HydrophobicContact CD2-CG1 4.12Å; W2574-I2578 HydrophobicContact CD2-CG2 4.48Å; W2574-I2578 HydrophobicContact CE3-CG1 4.35Å; W2574-I2578 HydrophobicContact CG-CB 4.37Å; W2574-I2578 HydrophobicContact CG-CD1 4.3Å; W2574-I2578 HydrophobicContact CG-CG1 4.46Å; W2574-I2578 HydrophobicContact CH2-CG1 4.42Å; W2574-I2578 HydrophobicContact CH2-CG2 4.47Å; W2574-I2578 HydrophobicContact CZ2-CB 4.38Å; W2574-I2578 HydrophobicContact CZ2-CG1 4.31Å; W2574-I2578 HydrophobicContact CZ2-CG2 4.08Å; W2574-I2578 HydrophobicContact CZ3-CG1 4.45Å; W2574-I2578 WeakPolarHBondContact O-CA 3.43Å; W2574-I2578 WeakPolarHBondContact O-CB 3.34Å; W2574-I2578 PolarHBondContact O-N 3.05Å; I2578-V2581 WeakPolarHBondContact O-CB 3.31Å; I2578-V2581 PolarHBondContact O-N 3.17Å; I2578-V2581 VanDerWaalsContact O-N 3.15Å; I2578-L2582 HydrophobicContact CG2-CD1 3.77Å; I2578-L2582 HydrophobicContact CG2-CD2 4.42Å; I2578-L2582 HydrophobicContact CG2-CG 3.87Å; I2578-L2582 WeakPolarHBondContact O-CG 3.27Å; I2578-L2582 PolarHBondContact O-N 3.07Å |
| 2579 | G | 77.8 | Confident | 80.2 | Confident | 20.4 Ų | 20.4 | 48.3 Ų | 48.3 | 21% | 0.21 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.7 | -40.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | W2574 A2575 L2582 R2583 | W2574-G2579 PolarHBondContact O-N 3.13Å; W2574-G2579 VanDerWaalsContact O-N 3.12Å; A2575-G2579 VanDerWaalsContact O-CA 3.3Å; A2575-G2579 WeakPolarHBondContact O-CA 3.43Å; A2575-G2579 PolarHBondContact O-N 3.28Å; G2579-L2582 PolarHBondContact O-N 2.79Å; G2579-R2583 WeakPolarHBondContact O-CB 3.48Å; G2579-R2583 PolarHBondContact O-N 3Å; G2579-R2583 VanDerWaalsContact O-N 3.12Å |
| 2580 | P | 76.8 | Confident | 81.5 | Confident | 65 Ų | 65 | 45.8 Ų | 45.8 | 42% | 0.422 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.8 | -47.3 | 173 | -23.3 | 34.8 | 0 | 0 | 0 | 112.1 | A2575 L2582 R2583 E2584 | A2575-P2580 WeakPolarHBondContact O-CD 3.44Å; P2580-L2582 VanDerWaalsContact C-N 3.33Å; P2580-L2582 PolarHBondContact O-N 3.21Å; P2580-R2583 WeakPolarHBondContact O-CA 3.39Å; P2580-R2583 VanDerWaalsContact O-CB 3.32Å; P2580-R2583 WeakPolarHBondContact O-CB 3.39Å; P2580-R2583 PolarHBondContact O-N 3.25Å; P2580-R2583 VanDerWaalsContact O-N 3.13Å; P2580-E2584 PolarHBondContact O-N 3.01Å; P2580-E2584 VanDerWaalsContact O-N 3.14Å |
| 2581 | V | 79.1 | Confident | 82.4 | Confident | 27.6 Ų | 27.6 | 46 Ų | 46 | 17% | 0.167 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.7 | -43.4 | 180 | -174 | 0 | 0 | 0 | 0 | 111.2 | L2477 L2543 F2551 I2578 R2583 E2584 Y2585 | L2477-V2581 HydrophobicContact CB-CG2 4.49Å; L2477-V2581 HydrophobicContact CD1-CG2 4.3Å; L2477-V2581 HydrophobicContact CD2-CG2 4.34Å; L2543-V2581 HydrophobicContact CD1-CG1 4.5Å; F2551-V2581 HydrophobicContact CE1-CG1 4.27Å; F2551-V2581 HydrophobicContact CZ-CG1 4.41Å; I2578-V2581 WeakPolarHBondContact O-CB 3.31Å; I2578-V2581 PolarHBondContact O-N 3.17Å; I2578-V2581 VanDerWaalsContact O-N 3.15Å; V2581-R2583 VanDerWaalsContact C-N 3.32Å; V2581-R2583 PolarHBondContact O-N 3.26Å; V2581-E2584 PolarHBondContact O-N 3.22Å; V2581-Y2585 HydrophobicContact CG1-CD2 4.05Å; V2581-Y2585 WeakPolarHBondContact O-CB 3.26Å; V2581-Y2585 PolarHBondContact O-N 3.08Å |
| 2582 | L | 83.3 | Confident | 83.1 | Confident | 41.2 Ų | 41.2 | 46.2 Ų | 46.2 | 22% | 0.216 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.2 | -28.7 | 175.6 | -67.5 | 174.1 | 0 | 0 | 0 | 113.1 | F2551 W2574 I2578 G2579 P2580 E2584 L2586 | F2551-L2582 HydrophobicContact CE2-CD2 3.99Å; F2551-L2582 HydrophobicContact CZ-CD2 3.93Å; W2574-L2582 HydrophobicContact CH2-CD1 3.7Å; W2574-L2582 HydrophobicContact CZ2-CD1 3.86Å; W2574-L2582 HydrophobicContact CZ3-CD1 4.09Å; I2578-L2582 HydrophobicContact CG2-CD1 3.77Å; I2578-L2582 HydrophobicContact CG2-CD2 4.42Å; I2578-L2582 HydrophobicContact CG2-CG 3.87Å; I2578-L2582 WeakPolarHBondContact O-CG 3.27Å; I2578-L2582 PolarHBondContact O-N 3.07Å; G2579-L2582 PolarHBondContact O-N 2.79Å; P2580-L2582 VanDerWaalsContact C-N 3.33Å; P2580-L2582 PolarHBondContact O-N 3.21Å; L2582-E2584 VanDerWaalsContact C-N 3.33Å; L2582-E2584 PolarHBondContact O-N 3.23Å; L2582-L2586 HydrophobicContact CB-CB 4.46Å; L2582-L2586 HydrophobicContact CD2-CB 4.3Å; L2582-L2586 HydrophobicContact CD2-CD1 4.25Å; L2582-L2586 HydrophobicContact CD2-CD2 4.31Å; L2582-L2586 HydrophobicContact CD2-CG 4.47Å; L2582-L2586 WeakPolarHBondContact O-CB 3.32Å; L2582-L2586 PolarHBondContact O-N 2.98Å |
| 2583 | R | 80.3 | Confident | 84.1 | Confident | 181.6 Ų | 181.6 | 43.7 Ų | 43.7 | 69% | 0.685 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -68.7 | -43.9 | 177.3 | -166.9 | 177.7 | -59.9 | -132.3 | 0.4 | 110.8 | G2579 P2580 V2581 K2617 | G2579-R2583 WeakPolarHBondContact O-CB 3.48Å; G2579-R2583 PolarHBondContact O-N 3Å; G2579-R2583 VanDerWaalsContact O-N 3.12Å; P2580-R2583 WeakPolarHBondContact O-CA 3.39Å; P2580-R2583 VanDerWaalsContact O-CB 3.32Å; P2580-R2583 WeakPolarHBondContact O-CB 3.39Å; P2580-R2583 PolarHBondContact O-N 3.25Å; P2580-R2583 VanDerWaalsContact O-N 3.13Å; V2581-R2583 VanDerWaalsContact C-N 3.32Å; V2581-R2583 PolarHBondContact O-N 3.26Å; R2583-K2617 PolarHBondContact O-NZ 3.16Å |
| 2584 | E | 81.3 | Confident | 85 | Confident | 135.6 Ų | 135.6 | 41.4 Ų | 41.4 | 63% | 0.634 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -81.5 | -50.5 | -173.8 | -165.8 | 168.4 | -153.4 | 0 | 0 | 112.9 | P2580 V2581 L2582 | P2580-E2584 PolarHBondContact O-N 3.01Å; P2580-E2584 VanDerWaalsContact O-N 3.14Å; V2581-E2584 PolarHBondContact O-N 3.22Å; L2582-E2584 VanDerWaalsContact C-N 3.33Å; L2582-E2584 PolarHBondContact O-N 3.23Å |
| 2585 | Y | 87 | Confident | 85.6 | Confident | 54 Ų | 54 | 39 Ų | 39 | 21% | 0.212 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -17.1 | -167.2 | -59.6 | -72.6 | 0 | 0 | 0 | 116 | N2548 P2550 F2551 V2581 V2587 | N2548-Y2585 VanDerWaalsContact CA-CE1 3.46Å; N2548-Y2585 HydrophobicContact CB-CE1 4.29Å; N2548-Y2585 PolarHBondContact OD1-OH 3.29Å; P2550-Y2585 VanDerWaalsContact CA-O 3.32Å; P2550-Y2585 WeakPolarHBondContact CA-O 3.34Å; F2551-Y2585 PolarHBondContact N-O 3.16Å; F2551-Y2585 VanDerWaalsContact N-O 3.1Å; V2581-Y2585 HydrophobicContact CG1-CD2 4.05Å; V2581-Y2585 WeakPolarHBondContact O-CB 3.26Å; V2581-Y2585 PolarHBondContact O-N 3.08Å; Y2585-V2587 PolarHBondContact O-N 3.23Å |
| 2586 | L | 89.6 | Confident | 86.2 | Confident | 18.2 Ų | 18.2 | 39.1 Ų | 39.1 | 10% | 0.095 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 124 | 177.7 | -174.6 | 71.9 | 0 | 0 | 0 | 110.5 | F2551 V2553 L2582 A2588 A2589 K2617 | F2551-L2586 HydrophobicContact CD2-CD1 4.13Å; F2551-L2586 HydrophobicContact CE2-CD1 3.91Å; F2551-L2586 CarbonylContact O-C 3.46Å; F2551-L2586 WeakPolarHBondContact O-CA 3.29Å; V2553-L2586 HydrophobicContact CB-CD1 4.16Å; V2553-L2586 HydrophobicContact CG2-CD1 3.59Å; L2582-L2586 HydrophobicContact CB-CB 4.46Å; L2582-L2586 HydrophobicContact CD2-CB 4.3Å; L2582-L2586 HydrophobicContact CD2-CD1 4.25Å; L2582-L2586 HydrophobicContact CD2-CD2 4.31Å; L2582-L2586 HydrophobicContact CD2-CG 4.47Å; L2582-L2586 WeakPolarHBondContact O-CB 3.32Å; L2582-L2586 PolarHBondContact O-N 2.98Å; L2586-A2588 WeakPolarHBondContact CD1-O 3.36Å; L2586-A2589 HydrophobicContact CD2-CB 4.17Å; L2586-K2617 WeakPolarHBondContact O-CD 3.36Å; L2586-K2617 WeakPolarHBondContact O-CE 3.38Å; L2586-K2617 PolarHBondContact O-NZ 3.2Å |
| 2587 | V | 91.7 | Very high | 87.1 | Confident | 56.6 Ų | 56.6 | 37.2 Ų | 37.2 | 34% | 0.343 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -57.1 | 172.1 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | L2510 P2550 F2551 E2552 Y2585 | L2510-V2587 HydrophobicContact CD1-CG1 4.35Å; P2550-V2587 HydrophobicContact CB-CG2 3.61Å; F2551-V2587 PolarHBondContact O-N 3.34Å; E2552-V2587 HydrophobicContact CG-CB 3.94Å; E2552-V2587 HydrophobicContact CG-CG1 4.43Å; Y2585-V2587 PolarHBondContact O-N 3.23Å |
| 2588 | A | 93 | Very high | 87.9 | Confident | 7.4 Ų | 7.4 | 36.9 Ų | 36.9 | 6% | 0.061 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 150.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | E2552 V2553 L2586 Y2590 K2617 I2619 | E2552-A2588 WeakPolarHBondContact CA-O 3.32Å; E2552-A2588 HydrophobicContact CG-CB 4.36Å; V2553-A2588 PolarHBondContact N-O 2.98Å; L2586-A2588 WeakPolarHBondContact CD1-O 3.36Å; A2588-Y2590 HydrophobicContact CB-CE1 4.23Å; A2588-Y2590 HydrophobicContact CB-CE2 4.27Å; A2588-K2617 CarbonylContact C-O 3.44Å; A2588-K2617 WeakPolarHBondContact CA-O 3.32Å; A2588-I2619 HydrophobicContact CB-CD1 4.2Å |
| 2589 | A | 93.9 | Very high | 88.4 | Confident | 5.2 Ų | 5.2 | 40.3 Ų | 40.3 | 4% | 0.043 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 115 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | V2553 L2586 K2617 L2618 I2619 | V2553-A2589 HydrophobicContact CB-CB 4.5Å; V2553-A2589 CarbonylContact O-C 3.52Å; V2553-A2589 VanDerWaalsContact O-CA 3.26Å; V2553-A2589 WeakPolarHBondContact O-CA 3.45Å; L2586-A2589 HydrophobicContact CD2-CB 4.17Å; A2589-K2617 PolarHBondContact N-O 3.02Å; A2589-L2618 HydrophobicContact CB-CD2 4.08Å; A2589-I2619 PolarHBondContact O-N 2.99Å |
| 2590 | Y | 95 | Very high | 88.8 | Confident | 6.2 Ų | 6.2 | 43 Ų | 43 | 2% | 0.024 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 110.5 | 178.7 | -52.9 | -71.4 | 0 | 0 | 0 | 109.8 | E2552 V2553 V2554 I2555 A2588 I2619 I2621 L2627 Y2630 I2631 | E2552-Y2590 HydrophobicContact CB-CE2 4.1Å; E2552-Y2590 HydrophobicContact CG-CE2 4.46Å; E2552-Y2590 VanDerWaalsContact OE2-CE2 3.23Å; E2552-Y2590 WeakPolarHBondContact OE2-CE2 3.38Å; E2552-Y2590 VanDerWaalsContact OE2-CZ 3.3Å; E2552-Y2590 PolarHBondContact OE2-OH 3.16Å; V2553-Y2590 WeakPolarHBondContact O-CD2 3.28Å; V2553-Y2590 PolarHBondContact O-N 3.11Å; V2554-Y2590 CarbonylContact C-O 3.53Å; V2554-Y2590 WeakPolarHBondContact CA-O 3.3Å; V2554-Y2590 HydrophobicContact CG2-CD2 3.94Å; V2554-Y2590 HydrophobicContact CG2-CG 4.48Å; I2555-Y2590 PolarHBondContact N-O 3.14Å; A2588-Y2590 HydrophobicContact CB-CE1 4.23Å; A2588-Y2590 HydrophobicContact CB-CE2 4.27Å; Y2590-I2619 CarbonylContact C-O 3.57Å; Y2590-I2619 VanDerWaalsContact CA-O 3.3Å; Y2590-I2619 WeakPolarHBondContact CA-O 3.32Å; Y2590-I2619 HydrophobicContact CD1-CB 3.98Å; Y2590-I2619 HydrophobicContact CD1-CD1 4.31Å; Y2590-I2619 HydrophobicContact CD1-CG2 4.1Å; Y2590-I2619 HydrophobicContact CE1-CB 4.32Å; Y2590-I2619 HydrophobicContact CE1-CD1 3.77Å; Y2590-I2619 HydrophobicContact CE1-CG2 4.38Å; Y2590-I2621 HydrophobicContact CD1-CD1 4.27Å; Y2590-I2621 HydrophobicContact CD1-CG1 4.45Å; Y2590-L2627 HydrophobicContact CD1-CD1 4.34Å; Y2590-L2627 HydrophobicContact CD2-CD1 4.31Å; Y2590-L2627 HydrophobicContact CG-CD1 3.95Å; Y2590-Y2630 AromaticContact CD1-CD2 3.94Å; Y2590-Y2630 HydrophobicContact CD1-CD2 4.09Å; Y2590-Y2630 HydrophobicContact CD1-CE2 4.37Å; Y2590-Y2630 HydrophobicContact CD1-CG 4.21Å; Y2590-Y2630 AromaticContact CE1-CD1 3.68Å; Y2590-Y2630 HydrophobicContact CE1-CD1 3.68Å; Y2590-Y2630 AromaticContact CE1-CD2 3.68Å; Y2590-Y2630 HydrophobicContact CE1-CD2 3.68Å; Y2590-Y2630 VanDerWaalsContact CE1-CD2 3.49Å; Y2590-Y2630 HydrophobicContact CE1-CE1 4.25Å; Y2590-Y2630 HydrophobicContact CE1-CE2 4.17Å; Y2590-Y2630 AromaticContact CE1-CG 3.37Å; Y2590-Y2630 HydrophobicContact CE1-CG 3.37Å; Y2590-Y2630 AromaticContact CZ-CG 3.83Å; Y2590-Y2630 WeakPolarHBondContact OH-CB 3.34Å; Y2590-I2631 HydrophobicContact CD2-CD1 4.41Å; Y2590-I2631 HydrophobicContact CE2-CD1 4.39Å |
| 2591 | I | 94.6 | Very high | 89.3 | Confident | 9.8 Ų | 9.8 | 41.2 Ų | 41.2 | 5% | 0.05 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 112.4 | -178.5 | -59.8 | 172 | 0 | 0 | 0 | 108.6 | I2555 F2557 C2594 L2618 I2619 F2620 I2621 | I2555-I2591 HydrophobicContact CD1-CG1 4.48Å; F2557-I2591 HydrophobicContact CD2-CG2 3.61Å; F2557-I2591 HydrophobicContact CE2-CG2 3.7Å; I2591-C2594 HydrophobicContact CG2-CB 4.47Å; I2591-L2618 HydrophobicContact CD1-CB 4.44Å; I2591-L2618 HydrophobicContact CD1-CD2 4.39Å; I2591-I2619 PolarHBondContact N-O 3.02Å; I2591-F2620 HydrophobicContact CB-CD1 3.76Å; I2591-F2620 HydrophobicContact CB-CE1 3.96Å; I2591-F2620 HydrophobicContact CB-CG 4.32Å; I2591-F2620 HydrophobicContact CD1-CD1 4.3Å; I2591-F2620 HydrophobicContact CD1-CE1 3.75Å; I2591-F2620 HydrophobicContact CD1-CE2 4.1Å; I2591-F2620 HydrophobicContact CD1-CZ 3.64Å; I2591-F2620 HydrophobicContact CG1-CE1 4.46Å; I2591-F2620 HydrophobicContact CG2-CD1 3.71Å; I2591-F2620 HydrophobicContact CG2-CE1 3.67Å; I2591-F2620 WeakPolarHBondContact O-CA 3.26Å; I2591-I2621 PolarHBondContact O-N 3.09Å |
| 2592 | Y | 94.1 | Very high | 89.8 | Confident | 9 Ų | 9 | 40.5 Ų | 40.5 | 4% | 0.035 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 143.9 | -179.5 | -179.2 | -111.6 | 0 | 0 | 0 | 111.8 | I2555 F2557 C2594 I2621 P2624 T2642 E2646 | I2555-Y2592 PolarHBondContact O-N 3.14Å; F2557-Y2592 PolarHBondContact N-O 3.21Å; Y2592-C2594 PolarHBondContact O-N 3Å; Y2592-I2621 HydrophobicContact CD2-CB 4.27Å; Y2592-I2621 HydrophobicContact CD2-CG2 3.97Å; Y2592-P2624 HydrophobicContact CE2-CB 4.33Å; Y2592-P2624 HydrophobicContact CE2-CG 3.93Å; Y2592-P2624 WeakPolarHBondContact OH-CD 3.39Å; Y2592-P2624 WeakPolarHBondContact OH-CG 3.5Å; Y2592-T2642 HydrophobicContact CD1-CG2 4.11Å; Y2592-T2642 HydrophobicContact CE1-CG2 3.5Å; Y2592-T2642 VanDerWaalsContact CE1-CG2 3.46Å; Y2592-E2646 PolarHBondContact OH-OE1 3.07Å |
| 2593 | N | 91.4 | Very high | 89.9 | Confident | 10.6 Ų | 10.6 | 43.4 Ų | 43.4 | 6% | 0.057 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 51.6 | 51.9 | 175.3 | -124.7 | -1.2 | 0 | 0 | 0 | 114.5 | F2557 T2558 N2595 N2692 | F2557-N2593 CarbonylContact C-O 3.52Å; F2557-N2593 VanDerWaalsContact CB-O 3.3Å; F2557-N2593 WeakPolarHBondContact CB-O 3.36Å; T2558-N2593 WeakPolarHBondContact CB-ND2 3.36Å; T2558-N2593 VanDerWaalsContact OG1-CB 3.3Å; T2558-N2593 WeakPolarHBondContact OG1-CB 3.38Å; T2558-N2593 PolarHBondContact OG1-ND2 3.02Å; N2593-N2595 PolarHBondContact O-N 3.41Å; N2593-N2692 VanDerWaalsContact OD1-CB 3.32Å; N2593-N2692 WeakPolarHBondContact OD1-CB 3.44Å; N2593-N2692 PolarHBondContact OD1-ND2 2.98Å |
| 2594 | C | 92.9 | Very high | 90 | Very high | 6 Ų | 6 | 39.8 Ų | 39.8 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | trans | -67.3 | 128.4 | 174.6 | -170.5 | 0 | 0 | 0 | 0 | 110.5 | I2591 Y2592 F2620 V2689 L2691 N2692 | I2591-C2594 HydrophobicContact CG2-CB 4.47Å; Y2592-C2594 PolarHBondContact O-N 3Å; C2594-F2620 HydrophobicContact CB-CD1 4.4Å; C2594-F2620 HydrophobicContact CB-CE1 4.41Å; C2594-V2689 HydrophobicContact CB-CG1 4.5Å; C2594-L2691 CarbonylContact O-C 3.55Å; C2594-L2691 VanDerWaalsContact O-CA 3.3Å; C2594-L2691 WeakPolarHBondContact O-CA 3.33Å; C2594-N2692 PolarHBondContact O-N 3.13Å | ||
| 2595 | N | 92.4 | Very high | 89.9 | Confident | 10.4 Ų | 10.4 | 34.7 Ų | 34.7 | 6% | 0.056 | 17% | 0.167 | C | C | . | . | trans | -112.3 | 173.7 | -176.4 | 72.7 | 9.4 | 0 | 0 | 0 | 112.6 | T2560 N2593 W2597 V2598 R2599 N2692 D2693 | T2560-N2595 PolarHBondContact O-ND2 3.06Å; N2593-N2595 PolarHBondContact O-N 3.41Å; N2595-W2597 VanDerWaalsContact C-N 3.26Å; N2595-W2597 PolarHBondContact O-N 3.02Å; N2595-W2597 WeakPolarHBondContact OD1-CB 3.3Å; N2595-W2597 PolarHBondContact OD1-N 3.05Å; N2595-W2597 VanDerWaalsContact OD1-N 3.16Å; N2595-V2598 PolarHBondContact O-N 3.08Å; N2595-V2598 WeakPolarHBondContact OD1-CB 3.3Å; N2595-V2598 VanDerWaalsContact OD1-CG2 3.32Å; N2595-V2598 WeakPolarHBondContact OD1-CG2 3.42Å; N2595-V2598 PolarHBondContact OD1-N 3.07Å; N2595-R2599 PolarHBondContact O-N 2.98Å; N2595-R2599 VanDerWaalsContact O-N 3.13Å; N2595-N2692 VanDerWaalsContact CB-O 3.26Å; N2595-N2692 WeakPolarHBondContact CB-O 3.42Å; N2595-D2693 WeakPolarHBondContact CB-OD1 3.41Å | ||
| 2596 | S | 89.7 | Confident | 89.6 | Confident | 39.8 Ų | 39.8 | 34.8 Ų | 34.8 | 28% | 0.278 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -59.4 | -35 | 179.1 | -63.6 | 0 | 0 | 0 | 0 | 112.5 | R2599 E2600 D2693 | S2596-R2599 WeakPolarHBondContact O-CB 3.34Å; S2596-R2599 PolarHBondContact O-N 3.2Å; S2596-E2600 PolarHBondContact O-N 3.04Å; S2596-E2600 VanDerWaalsContact O-N 3.08Å; S2596-D2693 WeakPolarHBondContact CB-OD1 3.38Å; S2596-D2693 WeakPolarHBondContact CB-OD2 3.39Å; S2596-D2693 PolarHBondContact N-OD1 3.09Å; S2596-D2693 VanDerWaalsContact OG-CG 3.28Å; S2596-D2693 PolarHBondContact OG-OD1 3.05Å; S2596-D2693 VanDerWaalsContact OG-OD1 3.13Å; S2596-D2693 PolarHBondContact OG-OD2 3.12Å |
| 2597 | W | 90.2 | Very high | 88.7 | Confident | 62.6 Ų | 62.6 | 42.1 Ų | 42.1 | 24% | 0.237 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.5 | -46.3 | 177.4 | -177.2 | 87.2 | 0 | 0 | 0 | 112.1 | T2560 S2561 V2562 R2565 N2595 R2599 E2600 Y2601 | T2560-W2597 HydrophobicContact CG2-CE3 3.89Å; T2560-W2597 HydrophobicContact CG2-CZ3 3.62Å; S2561-W2597 WeakPolarHBondContact O-CZ2 3.26Å; V2562-W2597 VanDerWaalsContact CG2-NE1 3.29Å; R2565-W2597 HydrophobicContact CB-CH2 3.61Å; R2565-W2597 HydrophobicContact CB-CZ2 3.75Å; N2595-W2597 VanDerWaalsContact C-N 3.26Å; N2595-W2597 PolarHBondContact O-N 3.02Å; N2595-W2597 WeakPolarHBondContact OD1-CB 3.3Å; N2595-W2597 PolarHBondContact OD1-N 3.05Å; N2595-W2597 VanDerWaalsContact OD1-N 3.16Å; W2597-R2599 VanDerWaalsContact C-N 3.29Å; W2597-R2599 PolarHBondContact O-N 3.22Å; W2597-E2600 PolarHBondContact O-N 3.27Å; W2597-E2600 VanDerWaalsContact O-N 3.11Å; W2597-Y2601 HydrophobicContact CH2-CD1 4.26Å; W2597-Y2601 AromaticContact CH2-CD2 3.63Å; W2597-Y2601 HydrophobicContact CH2-CD2 3.63Å; W2597-Y2601 VanDerWaalsContact CH2-CD2 3.5Å; W2597-Y2601 HydrophobicContact CH2-CE2 4.14Å; W2597-Y2601 AromaticContact CH2-CG 3.74Å; W2597-Y2601 HydrophobicContact CH2-CG 3.74Å; W2597-Y2601 AromaticContact CZ2-CD2 3.85Å; W2597-Y2601 HydrophobicContact CZ2-CD2 3.85Å; W2597-Y2601 HydrophobicContact CZ2-CE2 4.49Å; W2597-Y2601 HydrophobicContact CZ2-CG 4.2Å; W2597-Y2601 HydrophobicContact CZ3-CD1 4.43Å; W2597-Y2601 HydrophobicContact CZ3-CD2 4.41Å; W2597-Y2601 HydrophobicContact CZ3-CG 4.13Å; W2597-Y2601 VanDerWaalsContact O-CB 3.31Å; W2597-Y2601 WeakPolarHBondContact O-CB 3.32Å; W2597-Y2601 PolarHBondContact O-N 3.16Å |
| 2598 | V | 91.5 | Very high | 88 | Confident | 5.4 Ų | 5.4 | 41.7 Ų | 41.7 | 3% | 0.033 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.7 | -38 | 175.8 | 171 | 0 | 0 | 0 | 0 | 111 | F2557 T2560 N2595 Y2601 T2602 | F2557-V2598 HydrophobicContact CB-CG2 4.18Å; F2557-V2598 HydrophobicContact CD1-CG2 3.76Å; F2557-V2598 HydrophobicContact CD2-CG1 4.15Å; F2557-V2598 HydrophobicContact CD2-CG2 4.34Å; F2557-V2598 HydrophobicContact CE1-CG1 4.49Å; F2557-V2598 HydrophobicContact CE1-CG2 4.17Å; F2557-V2598 HydrophobicContact CE2-CG1 4.02Å; F2557-V2598 HydrophobicContact CG-CG1 4.44Å; F2557-V2598 HydrophobicContact CG-CG2 3.86Å; F2557-V2598 HydrophobicContact CZ-CG1 4.23Å; T2560-V2598 HydrophobicContact CG2-CG2 4.26Å; N2595-V2598 PolarHBondContact O-N 3.08Å; N2595-V2598 WeakPolarHBondContact OD1-CB 3.3Å; N2595-V2598 VanDerWaalsContact OD1-CG2 3.32Å; N2595-V2598 WeakPolarHBondContact OD1-CG2 3.42Å; N2595-V2598 PolarHBondContact OD1-N 3.07Å; V2598-Y2601 PolarHBondContact O-N 3.12Å; V2598-T2602 HydrophobicContact CG1-CG2 4.42Å; V2598-T2602 WeakPolarHBondContact O-CB 3.33Å; V2598-T2602 WeakPolarHBondContact O-CG2 3.46Å; V2598-T2602 PolarHBondContact O-N 3.1Å; V2598-T2602 PolarHBondContact O-OG1 3.02Å |
| 2599 | R | 90.7 | Very high | 87.6 | Confident | 74.4 Ų | 74.4 | 42.7 Ų | 42.7 | 28% | 0.281 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.4 | -45.7 | 172.7 | 174.4 | 178.4 | 154.3 | -115.1 | 1.8 | 111.8 | N2595 S2596 W2597 T2602 K2603 V2684 L2691 | N2595-R2599 PolarHBondContact O-N 2.98Å; N2595-R2599 VanDerWaalsContact O-N 3.13Å; S2596-R2599 WeakPolarHBondContact O-CB 3.34Å; S2596-R2599 PolarHBondContact O-N 3.2Å; W2597-R2599 VanDerWaalsContact C-N 3.29Å; W2597-R2599 PolarHBondContact O-N 3.22Å; R2599-T2602 PolarHBondContact O-N 3.2Å; R2599-T2602 PolarHBondContact O-OG1 2.97Å; R2599-T2602 VanDerWaalsContact O-OG1 3.11Å; R2599-K2603 WeakPolarHBondContact O-CB 3.44Å; R2599-K2603 WeakPolarHBondContact O-CG 3.37Å; R2599-K2603 PolarHBondContact O-N 3.08Å; R2599-K2603 VanDerWaalsContact O-N 3.14Å; R2599-V2684 HydrophobicContact CB-CG2 3.94Å; R2599-V2684 HydrophobicContact CG-CG2 3.97Å; R2599-L2691 HydrophobicContact CB-CD2 4.29Å; R2599-L2691 VanDerWaalsContact NH1-CD1 3.32Å |
| 2600 | E | 86.1 | Confident | 86.9 | Confident | 75.4 Ų | 75.4 | 45.6 Ų | 45.6 | 35% | 0.352 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -70.8 | -41.5 | -179.8 | -152.5 | 58.1 | -140.1 | 0 | 0 | 111.9 | S2596 W2597 T2602 K2603 I2604 | S2596-E2600 PolarHBondContact O-N 3.04Å; S2596-E2600 VanDerWaalsContact O-N 3.08Å; W2597-E2600 PolarHBondContact O-N 3.27Å; W2597-E2600 VanDerWaalsContact O-N 3.11Å; E2600-T2602 VanDerWaalsContact C-N 3.33Å; E2600-T2602 PolarHBondContact O-N 2.88Å; E2600-K2603 CarbonylContact O-C 3.59Å; E2600-K2603 WeakPolarHBondContact O-CA 3.33Å; E2600-K2603 WeakPolarHBondContact O-CB 3.36Å; E2600-K2603 PolarHBondContact O-N 3.18Å; E2600-K2603 VanDerWaalsContact O-N 3.07Å; E2600-K2603 WeakPolarHBondContact OE1-CD 3.31Å; E2600-K2603 IonicContact OE1-NZ 3.29Å; E2600-K2603 PolarHBondContact OE1-NZ 3.28Å; E2600-K2603 WeakPolarHBondContact OE2-CD 3.48Å; E2600-K2603 WeakPolarHBondContact OE2-CE 3.38Å; E2600-K2603 IonicContact OE2-NZ 2.96Å; E2600-K2603 PolarHBondContact OE2-NZ 3.12Å; E2600-I2604 HydrophobicContact CG-CD1 4.38Å; E2600-I2604 VanDerWaalsContact O-CG1 3.31Å; E2600-I2604 WeakPolarHBondContact O-CG1 3.32Å; E2600-I2604 PolarHBondContact O-N 3.04Å |
| 2601 | Y | 88.2 | Confident | 86.2 | Confident | 28 Ų | 28 | 49.6 Ų | 49.6 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.4 | -43.4 | 172.5 | 179.3 | -100.8 | 0 | 0 | 0 | 112.4 | R2565 F2566 L2571 W2597 V2598 K2603 I2604 H2605 F2609 | R2565-Y2601 HydrophobicContact CB-CD2 4.43Å; R2565-Y2601 HydrophobicContact CB-CE2 3.97Å; F2566-Y2601 PolarHBondContact N-OH 3.24Å; F2566-Y2601 PolarHBondContact O-OH 3.2Å; F2566-Y2601 VanDerWaalsContact O-OH 3.1Å; L2571-Y2601 WeakPolarHBondContact CD1-OH 3.45Å; W2597-Y2601 HydrophobicContact CH2-CD1 4.26Å; W2597-Y2601 AromaticContact CH2-CD2 3.63Å; W2597-Y2601 HydrophobicContact CH2-CD2 3.63Å; W2597-Y2601 VanDerWaalsContact CH2-CD2 3.5Å; W2597-Y2601 HydrophobicContact CH2-CE2 4.14Å; W2597-Y2601 AromaticContact CH2-CG 3.74Å; W2597-Y2601 HydrophobicContact CH2-CG 3.74Å; W2597-Y2601 AromaticContact CZ2-CD2 3.85Å; W2597-Y2601 HydrophobicContact CZ2-CD2 3.85Å; W2597-Y2601 HydrophobicContact CZ2-CE2 4.49Å; W2597-Y2601 HydrophobicContact CZ2-CG 4.2Å; W2597-Y2601 HydrophobicContact CZ3-CD1 4.43Å; W2597-Y2601 HydrophobicContact CZ3-CD2 4.41Å; W2597-Y2601 HydrophobicContact CZ3-CG 4.13Å; W2597-Y2601 VanDerWaalsContact O-CB 3.31Å; W2597-Y2601 WeakPolarHBondContact O-CB 3.32Å; W2597-Y2601 PolarHBondContact O-N 3.16Å; V2598-Y2601 PolarHBondContact O-N 3.12Å; Y2601-K2603 VanDerWaalsContact C-N 3.29Å; Y2601-K2603 PolarHBondContact O-N 3.09Å; Y2601-I2604 PolarHBondContact O-N 2.87Å; Y2601-H2605 AromaticContact CD2-CD2 3.53Å; Y2601-H2605 AromaticContact CD2-CE1 3.55Å; Y2601-H2605 VanDerWaalsContact CD2-CE1 3.48Å; Y2601-H2605 WeakPolarHBondContact CD2-CE1 3.34Å; Y2601-H2605 AromaticContact CD2-ND1 3.62Å; Y2601-H2605 AromaticContact CD2-NE2 3.63Å; Y2601-H2605 AromaticContact CE2-CD2 3.36Å; Y2601-H2605 WeakPolarHBondContact CE2-CD2 3.36Å; Y2601-H2605 AromaticContact CE2-CE1 3.32Å; Y2601-H2605 VanDerWaalsContact CE2-CE1 3.42Å; Y2601-H2605 WeakPolarHBondContact CE2-CE1 3.38Å; Y2601-H2605 AromaticContact CE2-ND1 3.59Å; Y2601-H2605 AromaticContact CE2-NE2 3.26Å; Y2601-H2605 VanDerWaalsContact CE2-NE2 3.26Å; Y2601-H2605 WeakPolarHBondContact CE2-NE2 3.15Å; Y2601-H2605 AromaticContact CG-ND1 3.98Å; Y2601-H2605 AromaticContact CZ-CD2 3.74Å; Y2601-H2605 AromaticContact CZ-CE1 3.94Å; Y2601-H2605 AromaticContact CZ-ND1 3.96Å; Y2601-H2605 AromaticContact CZ-NE2 3.96Å; Y2601-H2605 WeakPolarHBondContact O-CB 3.34Å; Y2601-H2605 PolarHBondContact O-CD2 3.42Å; Y2601-H2605 VanDerWaalsContact O-CD2 3.22Å; Y2601-H2605 PolarHBondContact O-N 3.14Å; Y2601-H2605 VanDerWaalsContact O-N 3.14Å; Y2601-H2605 PolarHBondContact O-ND1 3.24Å; Y2601-F2609 HydrophobicContact CD1-CE2 4.42Å; Y2601-F2609 HydrophobicContact CE1-CE2 4.18Å; Y2601-F2609 HydrophobicContact CE1-CZ 4.18Å |
| 2602 | T | 89.3 | Confident | 85.6 | Confident | 12.2 Ų | 12.2 | 52.4 Ų | 52.4 | 8% | 0.075 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.1 | -25.5 | 176.5 | 54.6 | 0 | 0 | 0 | 0 | 113.7 | V2598 R2599 E2600 H2605 D2606 F2609 L2685 | V2598-T2602 HydrophobicContact CG1-CG2 4.42Å; V2598-T2602 WeakPolarHBondContact O-CB 3.33Å; V2598-T2602 WeakPolarHBondContact O-CG2 3.46Å; V2598-T2602 PolarHBondContact O-N 3.1Å; V2598-T2602 PolarHBondContact O-OG1 3.02Å; R2599-T2602 PolarHBondContact O-N 3.2Å; R2599-T2602 PolarHBondContact O-OG1 2.97Å; R2599-T2602 VanDerWaalsContact O-OG1 3.11Å; E2600-T2602 VanDerWaalsContact C-N 3.33Å; E2600-T2602 PolarHBondContact O-N 2.88Å; T2602-H2605 CarbonylContact O-C 3.51Å; T2602-D2606 WeakPolarHBondContact O-CA 3.34Å; T2602-D2606 PolarHBondContact O-N 3Å; T2602-D2606 VanDerWaalsContact O-N 3.11Å; T2602-F2609 HydrophobicContact CG2-CD2 4.08Å; T2602-F2609 HydrophobicContact CG2-CE2 3.99Å; T2602-F2609 HydrophobicContact CG2-CG 4.46Å; T2602-F2609 HydrophobicContact CG2-CZ 4.3Å; T2602-L2685 HydrophobicContact CG2-CD2 4.05Å; T2602-L2685 HydrophobicContact CG2-CG 4.3Å |
| 2603 | K | 85.8 | Confident | 85.2 | Confident | 104 Ų | 104 | 56.6 Ų | 56.6 | 45% | 0.452 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -74.1 | -44.7 | 171 | -85.9 | 169.3 | 171.2 | -171.3 | 0 | 112.3 | R2599 E2600 Y2601 H2605 D2606 | R2599-K2603 WeakPolarHBondContact O-CB 3.44Å; R2599-K2603 WeakPolarHBondContact O-CG 3.37Å; R2599-K2603 PolarHBondContact O-N 3.08Å; R2599-K2603 VanDerWaalsContact O-N 3.14Å; E2600-K2603 CarbonylContact O-C 3.59Å; E2600-K2603 WeakPolarHBondContact O-CA 3.33Å; E2600-K2603 WeakPolarHBondContact O-CB 3.36Å; E2600-K2603 PolarHBondContact O-N 3.18Å; E2600-K2603 VanDerWaalsContact O-N 3.07Å; E2600-K2603 WeakPolarHBondContact OE1-CD 3.31Å; E2600-K2603 IonicContact OE1-NZ 3.29Å; E2600-K2603 PolarHBondContact OE1-NZ 3.28Å; E2600-K2603 WeakPolarHBondContact OE2-CD 3.48Å; E2600-K2603 WeakPolarHBondContact OE2-CE 3.38Å; E2600-K2603 IonicContact OE2-NZ 2.96Å; E2600-K2603 PolarHBondContact OE2-NZ 3.12Å; Y2601-K2603 VanDerWaalsContact C-N 3.29Å; Y2601-K2603 PolarHBondContact O-N 3.09Å; K2603-H2605 PolarHBondContact O-N 3.11Å; K2603-D2606 VanDerWaalsContact O-CB 3.29Å; K2603-D2606 WeakPolarHBondContact O-CB 3.34Å; K2603-D2606 PolarHBondContact O-N 3.18Å; K2603-D2606 VanDerWaalsContact O-N 3.15Å |
| 2604 | I | 80.9 | Confident | 84.9 | Confident | 106 Ų | 106 | 58.2 Ų | 58.2 | 54% | 0.544 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58 | -41.3 | 177.2 | -68 | 163.9 | 0 | 0 | 0 | 109.7 | E2600 Y2601 D2606 | E2600-I2604 HydrophobicContact CG-CD1 4.38Å; E2600-I2604 VanDerWaalsContact O-CG1 3.31Å; E2600-I2604 WeakPolarHBondContact O-CG1 3.32Å; E2600-I2604 PolarHBondContact O-N 3.04Å; Y2601-I2604 PolarHBondContact O-N 2.87Å; I2604-D2606 VanDerWaalsContact C-N 3.29Å; I2604-D2606 PolarHBondContact O-N 3.01Å |
| 2605 | H | 80.2 | Confident | 84.7 | Confident | 27.4 Ų | 27.4 | 59.7 Ų | 59.7 | 13% | 0.127 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 28.3 | 178.3 | -53.1 | 80.1 | 0 | 0 | 0 | 113 | N2568 L2571 Y2601 T2602 K2603 R2607 F2608 F2609 | N2568-H2605 PolarHBondContact OD1-CD2 3.07Å; N2568-H2605 PolarHBondContact OD1-CE1 2.81Å; N2568-H2605 PolarHBondContact OD1-ND1 3.11Å; N2568-H2605 PolarHBondContact OD1-NE2 3.12Å; L2571-H2605 HydrophobicContact CD1-CB 4.46Å; L2571-H2605 WeakPolarHBondContact CD1-CD2 3.38Å; Y2601-H2605 AromaticContact CD2-CD2 3.53Å; Y2601-H2605 AromaticContact CD2-CE1 3.55Å; Y2601-H2605 VanDerWaalsContact CD2-CE1 3.48Å; Y2601-H2605 WeakPolarHBondContact CD2-CE1 3.34Å; Y2601-H2605 AromaticContact CD2-ND1 3.62Å; Y2601-H2605 AromaticContact CD2-NE2 3.63Å; Y2601-H2605 AromaticContact CE2-CD2 3.36Å; Y2601-H2605 WeakPolarHBondContact CE2-CD2 3.36Å; Y2601-H2605 AromaticContact CE2-CE1 3.32Å; Y2601-H2605 VanDerWaalsContact CE2-CE1 3.42Å; Y2601-H2605 WeakPolarHBondContact CE2-CE1 3.38Å; Y2601-H2605 AromaticContact CE2-ND1 3.59Å; Y2601-H2605 AromaticContact CE2-NE2 3.26Å; Y2601-H2605 VanDerWaalsContact CE2-NE2 3.26Å; Y2601-H2605 WeakPolarHBondContact CE2-NE2 3.15Å; Y2601-H2605 AromaticContact CG-ND1 3.98Å; Y2601-H2605 AromaticContact CZ-CD2 3.74Å; Y2601-H2605 AromaticContact CZ-CE1 3.94Å; Y2601-H2605 AromaticContact CZ-ND1 3.96Å; Y2601-H2605 AromaticContact CZ-NE2 3.96Å; Y2601-H2605 WeakPolarHBondContact O-CB 3.34Å; Y2601-H2605 PolarHBondContact O-CD2 3.42Å; Y2601-H2605 VanDerWaalsContact O-CD2 3.22Å; Y2601-H2605 PolarHBondContact O-N 3.14Å; Y2601-H2605 VanDerWaalsContact O-N 3.14Å; Y2601-H2605 PolarHBondContact O-ND1 3.24Å; T2602-H2605 CarbonylContact O-C 3.51Å; K2603-H2605 PolarHBondContact O-N 3.11Å; H2605-R2607 VanDerWaalsContact C-N 3.26Å; H2605-R2607 PolarHBondContact O-N 3.04Å; H2605-R2607 VanDerWaalsContact O-N 3.12Å; H2605-F2608 HydrophobicContact CB-CB 4.29Å; H2605-F2608 WeakPolarHBondContact O-CA 3.28Å; H2605-F2608 VanDerWaalsContact O-CB 3.29Å; H2605-F2608 WeakPolarHBondContact O-CB 3.38Å; H2605-F2608 PolarHBondContact O-N 3.26Å; H2605-F2609 HydrophobicContact CB-CD2 3.97Å; H2605-F2609 HydrophobicContact CB-CE2 3.83Å; H2605-F2609 WeakPolarHBondContact O-CD2 3.44Å; H2605-F2609 PolarHBondContact O-N 3.01Å; H2605-F2609 VanDerWaalsContact O-N 3.11Å |
| 2606 | D | 79.7 | Confident | 84.5 | Confident | 56 Ų | 56 | 70.5 Ų | 70.5 | 30% | 0.299 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.4 | -31.3 | -174.9 | -168.6 | 64.6 | 0 | 0 | 0 | 112.5 | T2602 K2603 I2604 F2608 F2609 S2610 K2613 | T2602-D2606 WeakPolarHBondContact O-CA 3.34Å; T2602-D2606 PolarHBondContact O-N 3Å; T2602-D2606 VanDerWaalsContact O-N 3.11Å; K2603-D2606 VanDerWaalsContact O-CB 3.29Å; K2603-D2606 WeakPolarHBondContact O-CB 3.34Å; K2603-D2606 PolarHBondContact O-N 3.18Å; K2603-D2606 VanDerWaalsContact O-N 3.15Å; I2604-D2606 VanDerWaalsContact C-N 3.29Å; I2604-D2606 PolarHBondContact O-N 3.01Å; D2606-F2608 VanDerWaalsContact C-N 3.28Å; D2606-F2608 PolarHBondContact O-N 3.23Å; D2606-F2609 CarbonylContact O-C 3.6Å; D2606-F2609 PolarHBondContact O-N 3.11Å; D2606-S2610 WeakPolarHBondContact O-CA 3.34Å; D2606-S2610 VanDerWaalsContact O-CB 3.22Å; D2606-S2610 WeakPolarHBondContact O-CB 3.32Å; D2606-S2610 PolarHBondContact O-N 3.13Å; D2606-K2613 WeakPolarHBondContact OD1-CE 3.43Å; D2606-K2613 IonicContact OD1-NZ 3.21Å; D2606-K2613 PolarHBondContact OD1-NZ 2.92Å; D2606-K2613 IonicContact OD2-NZ 3.27Å; D2606-K2613 PolarHBondContact OD2-NZ 2.97Å |
| 2607 | R | 72.1 | Confident | 84.6 | Confident | 171 Ų | 171 | 72 Ų | 72 | 65% | 0.645 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -58.8 | -40.3 | 172.2 | -104 | -177.1 | -179.2 | 177.9 | 3.7 | 112.5 | F2407 I2408 H2605 S2610 | F2407-R2607 HydrophobicContact CD1-CB 4.26Å; F2407-R2607 HydrophobicContact CD1-CG 4.43Å; F2407-R2607 HydrophobicContact CE1-CB 3.9Å; F2407-R2607 HydrophobicContact CZ-CB 3.57Å; F2407-R2607 WeakPolarHBondContact CZ-O 3.39Å; F2407-R2607 PolarHBondContact O-NH1 2.99Å; I2408-R2607 PolarHBondContact O-NH1 3.22Å; H2605-R2607 VanDerWaalsContact C-N 3.26Å; H2605-R2607 PolarHBondContact O-N 3.04Å; H2605-R2607 VanDerWaalsContact O-N 3.12Å; R2607-S2610 WeakPolarHBondContact O-CB 3.48Å; R2607-S2610 PolarHBondContact O-N 3.33Å |
| 2608 | F | 76.8 | Confident | 84.7 | Confident | 49.6 Ų | 49.6 | 69.9 Ų | 69.9 | 22% | 0.218 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -72.5 | -42.5 | 178.8 | 177.8 | -91.2 | 0 | 0 | 0 | 111.6 | L2571 W2574 A2575 H2605 D2606 S2610 P2611 | L2571-F2608 VanDerWaalsContact C-CE2 3.46Å; L2571-F2608 HydrophobicContact CB-CD2 4.12Å; L2571-F2608 HydrophobicContact CB-CE1 4.41Å; L2571-F2608 HydrophobicContact CB-CE2 3.78Å; L2571-F2608 HydrophobicContact CB-CZ 3.99Å; L2571-F2608 HydrophobicContact CD2-CD1 4.17Å; L2571-F2608 HydrophobicContact CD2-CE1 3.82Å; L2571-F2608 HydrophobicContact CD2-CE2 4.27Å; L2571-F2608 HydrophobicContact CD2-CG 4.45Å; L2571-F2608 HydrophobicContact CD2-CZ 3.99Å; L2571-F2608 HydrophobicContact CG-CZ 4.46Å; L2571-F2608 VanDerWaalsContact O-CE2 3.27Å; L2571-F2608 WeakPolarHBondContact O-CE2 3.29Å; L2571-F2608 VanDerWaalsContact O-CZ 3.27Å; L2571-F2608 WeakPolarHBondContact O-CZ 3.41Å; W2574-F2608 HydrophobicContact CE3-CE1 4.23Å; W2574-F2608 AromaticContact CE3-CZ 3.95Å; W2574-F2608 HydrophobicContact CE3-CZ 4.21Å; W2574-F2608 HydrophobicContact CZ3-CE1 4.3Å; W2574-F2608 HydrophobicContact CZ3-CZ 4.44Å; A2575-F2608 HydrophobicContact CB-CD2 4.36Å; A2575-F2608 HydrophobicContact CB-CE2 3.44Å; A2575-F2608 VanDerWaalsContact CB-CE2 3.48Å; A2575-F2608 HydrophobicContact CB-CZ 3.73Å; H2605-F2608 HydrophobicContact CB-CB 4.29Å; H2605-F2608 WeakPolarHBondContact O-CA 3.28Å; H2605-F2608 VanDerWaalsContact O-CB 3.29Å; H2605-F2608 WeakPolarHBondContact O-CB 3.38Å; H2605-F2608 PolarHBondContact O-N 3.26Å; D2606-F2608 VanDerWaalsContact C-N 3.28Å; D2606-F2608 PolarHBondContact O-N 3.23Å; F2608-S2610 VanDerWaalsContact C-N 3.33Å; F2608-P2611 VanDerWaalsContact O-CD 3.26Å; F2608-P2611 WeakPolarHBondContact O-CD 3.38Å |
| 2609 | F | 83.5 | Confident | 84.8 | Confident | 27.6 Ų | 27.6 | 71.3 Ų | 71.3 | 12% | 0.121 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -85.5 | -7.9 | -177.8 | -64.4 | -65.8 | 0 | 0 | 0 | 114.4 | L2571 Y2601 T2602 H2605 D2606 P2611 I2612 K2613 L2685 | L2571-F2609 HydrophobicContact CD2-CZ 4.39Å; Y2601-F2609 HydrophobicContact CD1-CE2 4.42Å; Y2601-F2609 HydrophobicContact CE1-CE2 4.18Å; Y2601-F2609 HydrophobicContact CE1-CZ 4.18Å; T2602-F2609 HydrophobicContact CG2-CD2 4.08Å; T2602-F2609 HydrophobicContact CG2-CE2 3.99Å; T2602-F2609 HydrophobicContact CG2-CG 4.46Å; T2602-F2609 HydrophobicContact CG2-CZ 4.3Å; H2605-F2609 HydrophobicContact CB-CD2 3.97Å; H2605-F2609 HydrophobicContact CB-CE2 3.83Å; H2605-F2609 WeakPolarHBondContact O-CD2 3.44Å; H2605-F2609 PolarHBondContact O-N 3.01Å; H2605-F2609 VanDerWaalsContact O-N 3.11Å; D2606-F2609 CarbonylContact O-C 3.6Å; D2606-F2609 PolarHBondContact O-N 3.11Å; F2609-P2611 VanDerWaalsContact C-CD 3.4Å; F2609-P2611 VanDerWaalsContact C-N 3.32Å; F2609-P2611 VanDerWaalsContact O-N 3.16Å; F2609-I2612 HydrophobicContact CB-CD1 4.36Å; F2609-I2612 HydrophobicContact CB-CG1 4.25Å; F2609-I2612 HydrophobicContact CD1-CD1 3.81Å; F2609-I2612 HydrophobicContact CD1-CG1 4.31Å; F2609-I2612 HydrophobicContact CE1-CD1 4.31Å; F2609-I2612 HydrophobicContact CG-CD1 4.39Å; F2609-I2612 VanDerWaalsContact O-CG1 3.23Å; F2609-I2612 WeakPolarHBondContact O-CG1 3.41Å; F2609-I2612 PolarHBondContact O-N 2.94Å; F2609-K2613 PolarHBondContact O-N 3.09Å; F2609-K2613 VanDerWaalsContact O-N 3.12Å; F2609-L2685 HydrophobicContact CB-CD2 3.53Å; F2609-L2685 VanDerWaalsContact CB-CD2 3.49Å; F2609-L2685 HydrophobicContact CD1-CD2 4.41Å; F2609-L2685 HydrophobicContact CD2-CD2 4.45Å; F2609-L2685 HydrophobicContact CG-CD2 4Å |
| 2610 | S | 79.8 | Confident | 84.9 | Confident | 65.2 Ų | 65.2 | 68.8 Ų | 68.8 | 46% | 0.456 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -47.2 | -42.6 | 176.8 | -177.4 | 0 | 0 | 0 | 0 | 114.2 | D2606 R2607 F2608 I2612 K2613 | D2606-S2610 WeakPolarHBondContact O-CA 3.34Å; D2606-S2610 VanDerWaalsContact O-CB 3.22Å; D2606-S2610 WeakPolarHBondContact O-CB 3.32Å; D2606-S2610 PolarHBondContact O-N 3.13Å; R2607-S2610 WeakPolarHBondContact O-CB 3.48Å; R2607-S2610 PolarHBondContact O-N 3.33Å; F2608-S2610 VanDerWaalsContact C-N 3.33Å; S2610-I2612 VanDerWaalsContact C-N 3.27Å; S2610-I2612 PolarHBondContact O-N 3.08Å; S2610-I2612 VanDerWaalsContact O-N 3.16Å; S2610-K2613 VanDerWaalsContact O-CB 3.26Å; S2610-K2613 WeakPolarHBondContact O-CB 3.29Å; S2610-K2613 PolarHBondContact O-N 2.95Å; S2610-K2613 VanDerWaalsContact O-N 3.14Å |
| 2611 | P | 79.4 | Confident | 85.2 | Confident | 90.8 Ų | 90.8 | 65.6 Ų | 65.6 | 59% | 0.59 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -67.9 | -16 | 179.2 | -20.6 | 34.8 | 0 | 0 | 0 | 115.2 | F2608 F2609 | F2608-P2611 VanDerWaalsContact O-CD 3.26Å; F2608-P2611 WeakPolarHBondContact O-CD 3.38Å; F2609-P2611 VanDerWaalsContact C-CD 3.4Å; F2609-P2611 VanDerWaalsContact C-N 3.32Å; F2609-P2611 VanDerWaalsContact O-N 3.16Å |
| 2612 | I | 83.7 | Confident | 85.1 | Confident | 68 Ų | 68 | 67 Ų | 67 | 35% | 0.349 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -108.9 | -3.9 | 176.1 | 67.9 | 167.7 | 0 | 0 | 0 | 112.9 | F2609 S2610 G2614 S2615 L2618 L2685 | F2609-I2612 HydrophobicContact CB-CD1 4.36Å; F2609-I2612 HydrophobicContact CB-CG1 4.25Å; F2609-I2612 HydrophobicContact CD1-CD1 3.81Å; F2609-I2612 HydrophobicContact CD1-CG1 4.31Å; F2609-I2612 HydrophobicContact CE1-CD1 4.31Å; F2609-I2612 HydrophobicContact CG-CD1 4.39Å; F2609-I2612 VanDerWaalsContact O-CG1 3.23Å; F2609-I2612 WeakPolarHBondContact O-CG1 3.41Å; F2609-I2612 PolarHBondContact O-N 2.94Å; S2610-I2612 VanDerWaalsContact C-N 3.27Å; S2610-I2612 PolarHBondContact O-N 3.08Å; S2610-I2612 VanDerWaalsContact O-N 3.16Å; I2612-G2614 PolarHBondContact O-N 3.08Å; I2612-S2615 WeakPolarHBondContact O-CB 3.36Å; I2612-S2615 PolarHBondContact O-N 3.18Å; I2612-L2618 HydrophobicContact CB-CD1 4.39Å; I2612-L2618 HydrophobicContact CD1-CD1 4.2Å; I2612-L2618 HydrophobicContact CG1-CD1 4.36Å; I2612-L2618 WeakPolarHBondContact O-CD1 3.48Å; I2612-L2685 HydrophobicContact CD1-CD1 4.16Å |
| 2613 | K | 84.8 | Confident | 84.9 | Confident | 97.2 Ų | 97.2 | 70.5 Ų | 70.5 | 42% | 0.423 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 120.3 | -178.4 | -166.9 | 168.9 | 178.6 | 169.8 | 0 | 109.9 | D2606 F2609 S2610 S2615 L2685 | D2606-K2613 WeakPolarHBondContact OD1-CE 3.43Å; D2606-K2613 IonicContact OD1-NZ 3.21Å; D2606-K2613 PolarHBondContact OD1-NZ 2.92Å; D2606-K2613 IonicContact OD2-NZ 3.27Å; D2606-K2613 PolarHBondContact OD2-NZ 2.97Å; F2609-K2613 PolarHBondContact O-N 3.09Å; F2609-K2613 VanDerWaalsContact O-N 3.12Å; S2610-K2613 VanDerWaalsContact O-CB 3.26Å; S2610-K2613 WeakPolarHBondContact O-CB 3.29Å; S2610-K2613 PolarHBondContact O-N 2.95Å; S2610-K2613 VanDerWaalsContact O-N 3.14Å; K2613-S2615 VanDerWaalsContact C-N 3.29Å; K2613-S2615 PolarHBondContact O-N 3.19Å; K2613-L2685 CarbonylContact C-O 3.54Å; K2613-L2685 WeakPolarHBondContact CA-O 3.31Å |
| 2614 | G | 85 | Confident | 84.9 | Confident | 45 Ų | 45 | 66.3 Ų | 66.3 | 46% | 0.464 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 7.9 | -173 | 0 | 0 | 0 | 0 | 0 | 115.2 | I2612 R2616 L2685 | I2612-G2614 PolarHBondContact O-N 3.08Å; G2614-R2616 PolarHBondContact O-N 2.89Å; G2614-L2685 PolarHBondContact N-O 3.07Å |
| 2615 | S | 88.5 | Confident | 85.2 | Confident | 37.2 Ų | 37.2 | 64.4 Ų | 64.4 | 26% | 0.26 | 33% | 0.325 | S | S | . | . | trans | -63.4 | 131.2 | 177.1 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | I2612 K2613 K2617 L2618 H2687 | I2612-S2615 WeakPolarHBondContact O-CB 3.36Å; I2612-S2615 PolarHBondContact O-N 3.18Å; K2613-S2615 VanDerWaalsContact C-N 3.29Å; K2613-S2615 PolarHBondContact O-N 3.19Å; S2615-K2617 PolarHBondContact O-N 3.19Å; S2615-K2617 PolarHBondContact OG-N 3.08Å; S2615-L2618 PolarHBondContact O-N 3.18Å; S2615-H2687 PolarHBondContact O-CE1 3.29Å; S2615-H2687 PolarHBondContact O-NE2 3.04Å | ||
| 2616 | R | 89 | Confident | 85.7 | Confident | 238.4 Ų | 238.4 | 66.4 Ų | 66.4 | 90% | 0.9 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -13.5 | 175.1 | -63 | -174.9 | -175.8 | -178 | 1.3 | 113.6 | G2614 L2618 | G2614-R2616 PolarHBondContact O-N 2.89Å; R2616-L2618 PolarHBondContact O-N 3.22Å |
| 2617 | K | 91 | Very high | 86.2 | Confident | 70.2 Ų | 70.2 | 63.9 Ų | 63.9 | 31% | 0.305 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -17.5 | 173 | -62.7 | -168.3 | 178.1 | -170.5 | 0 | 112.4 | R2583 L2586 A2588 A2589 S2615 | R2583-K2617 PolarHBondContact O-NZ 3.16Å; L2586-K2617 WeakPolarHBondContact O-CD 3.36Å; L2586-K2617 WeakPolarHBondContact O-CE 3.38Å; L2586-K2617 PolarHBondContact O-NZ 3.2Å; A2588-K2617 CarbonylContact C-O 3.44Å; A2588-K2617 WeakPolarHBondContact CA-O 3.32Å; A2589-K2617 PolarHBondContact N-O 3.02Å; S2615-K2617 PolarHBondContact O-N 3.19Å; S2615-K2617 PolarHBondContact OG-N 3.08Å |
| 2618 | L | 92.6 | Very high | 87 | Confident | 19.4 Ų | 19.4 | 58.5 Ų | 58.5 | 10% | 0.102 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 117.3 | 178.7 | -54.8 | -178.4 | 0 | 0 | 0 | 109.9 | A2589 I2591 I2612 S2615 R2616 F2620 L2685 | A2589-L2618 HydrophobicContact CB-CD2 4.08Å; I2591-L2618 HydrophobicContact CD1-CB 4.44Å; I2591-L2618 HydrophobicContact CD1-CD2 4.39Å; I2612-L2618 HydrophobicContact CB-CD1 4.39Å; I2612-L2618 HydrophobicContact CD1-CD1 4.2Å; I2612-L2618 HydrophobicContact CG1-CD1 4.36Å; I2612-L2618 WeakPolarHBondContact O-CD1 3.48Å; S2615-L2618 PolarHBondContact O-N 3.18Å; R2616-L2618 PolarHBondContact O-N 3.22Å; L2618-F2620 HydrophobicContact CB-CE2 4.43Å; L2618-L2685 HydrophobicContact CD1-CB 4.39Å; L2618-L2685 HydrophobicContact CD1-CD1 3.91Å |
| 2619 | I | 93.5 | Very high | 87.7 | Confident | 35.2 Ų | 35.2 | 61.4 Ų | 61.4 | 18% | 0.181 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 110.6 | 179.5 | -60.8 | 175 | 0 | 0 | 0 | 107.7 | A2588 A2589 Y2590 I2591 I2621 Y2630 | A2588-I2619 HydrophobicContact CB-CD1 4.2Å; A2589-I2619 PolarHBondContact O-N 2.99Å; Y2590-I2619 CarbonylContact C-O 3.57Å; Y2590-I2619 VanDerWaalsContact CA-O 3.3Å; Y2590-I2619 WeakPolarHBondContact CA-O 3.32Å; Y2590-I2619 HydrophobicContact CD1-CB 3.98Å; Y2590-I2619 HydrophobicContact CD1-CD1 4.31Å; Y2590-I2619 HydrophobicContact CD1-CG2 4.1Å; Y2590-I2619 HydrophobicContact CE1-CB 4.32Å; Y2590-I2619 HydrophobicContact CE1-CD1 3.77Å; Y2590-I2619 HydrophobicContact CE1-CG2 4.38Å; I2591-I2619 PolarHBondContact N-O 3.02Å; I2619-I2621 HydrophobicContact CG2-CD1 3.97Å; I2619-Y2630 HydrophobicContact CD1-CD1 4.45Å; I2619-Y2630 HydrophobicContact CD1-CE1 4.05Å; I2619-Y2630 HydrophobicContact CG2-CE2 4.14Å |
| 2620 | F | 93.4 | Very high | 88 | Confident | 20.4 Ų | 20.4 | 63 Ų | 63 | 9% | 0.089 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 133.6 | 174.5 | -69.9 | -95 | 0 | 0 | 0 | 110.2 | I2591 C2594 L2618 R2626 V2684 H2687 V2689 | I2591-F2620 HydrophobicContact CB-CD1 3.76Å; I2591-F2620 HydrophobicContact CB-CE1 3.96Å; I2591-F2620 HydrophobicContact CB-CG 4.32Å; I2591-F2620 HydrophobicContact CD1-CD1 4.3Å; I2591-F2620 HydrophobicContact CD1-CE1 3.75Å; I2591-F2620 HydrophobicContact CD1-CE2 4.1Å; I2591-F2620 HydrophobicContact CD1-CZ 3.64Å; I2591-F2620 HydrophobicContact CG1-CE1 4.46Å; I2591-F2620 HydrophobicContact CG2-CD1 3.71Å; I2591-F2620 HydrophobicContact CG2-CE1 3.67Å; I2591-F2620 WeakPolarHBondContact O-CA 3.26Å; C2594-F2620 HydrophobicContact CB-CD1 4.4Å; C2594-F2620 HydrophobicContact CB-CE1 4.41Å; L2618-F2620 HydrophobicContact CB-CE2 4.43Å; F2620-R2626 PolarHBondContact O-NH1 3.07Å; F2620-R2626 PolarHBondContact O-NH2 3.08Å; F2620-V2684 HydrophobicContact CE1-CB 4.45Å; F2620-V2684 HydrophobicContact CE1-CG1 4.25Å; F2620-V2684 HydrophobicContact CZ-CB 4.4Å; F2620-V2684 HydrophobicContact CZ-CG1 4.12Å; F2620-H2687 HydrophobicContact CD2-CB 3.89Å; F2620-H2687 HydrophobicContact CE2-CB 3.75Å; F2620-H2687 AromaticContact CE2-CD2 3.79Å; F2620-H2687 AromaticContact CE2-CG 3.93Å; F2620-V2689 HydrophobicContact CB-CG1 3.74Å; F2620-V2689 HydrophobicContact CB-CG2 4.29Å; F2620-V2689 HydrophobicContact CD1-CB 4.28Å; F2620-V2689 HydrophobicContact CD1-CG1 3.5Å; F2620-V2689 VanDerWaalsContact CD1-CG1 3.45Å; F2620-V2689 HydrophobicContact CD1-CG2 3.83Å; F2620-V2689 HydrophobicContact CD2-CG1 3.64Å; F2620-V2689 HydrophobicContact CD2-CG2 3.8Å; F2620-V2689 HydrophobicContact CE1-CG1 4.1Å; F2620-V2689 HydrophobicContact CE1-CG2 4.02Å; F2620-V2689 HydrophobicContact CE2-CG1 4.04Å; F2620-V2689 HydrophobicContact CE2-CG2 4.01Å; F2620-V2689 HydrophobicContact CG-CB 4.39Å; F2620-V2689 HydrophobicContact CG-CG1 3.56Å; F2620-V2689 HydrophobicContact CG-CG2 3.7Å; F2620-V2689 HydrophobicContact CZ-CG1 4.15Å; F2620-V2689 HydrophobicContact CZ-CG2 4.1Å |
| 2621 | I | 92.1 | Very high | 88.6 | Confident | 7.8 Ų | 7.8 | 59.9 Ų | 59.9 | 4% | 0.04 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 111.5 | -177.6 | -58.7 | -62.3 | 0 | 0 | 0 | 108.2 | Y2590 I2591 Y2592 I2619 H2623 R2626 L2627 Y2630 | Y2590-I2621 HydrophobicContact CD1-CD1 4.27Å; Y2590-I2621 HydrophobicContact CD1-CG1 4.45Å; I2591-I2621 PolarHBondContact O-N 3.09Å; Y2592-I2621 HydrophobicContact CD2-CB 4.27Å; Y2592-I2621 HydrophobicContact CD2-CG2 3.97Å; I2619-I2621 HydrophobicContact CG2-CD1 3.97Å; I2621-H2623 VanDerWaalsContact CG2-O 3.23Å; I2621-H2623 WeakPolarHBondContact CG2-O 3.26Å; I2621-R2626 HydrophobicContact CD1-CB 4.37Å; I2621-R2626 HydrophobicContact CD1-CG 4.39Å; I2621-R2626 HydrophobicContact CG2-CB 4.23Å; I2621-L2627 HydrophobicContact CD1-CD1 4.44Å; I2621-L2627 HydrophobicContact CG1-CD1 4.38Å; I2621-Y2630 HydrophobicContact CD1-CD2 4.25Å; I2621-Y2630 HydrophobicContact CD1-CE2 3.96Å |
| 2622 | D | 85.4 | Confident | 89.1 | Confident | 58.2 Ų | 58.2 | 59.4 Ų | 59.4 | 31% | 0.311 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -80 | -21.6 | -176.3 | -42.3 | -93.8 | 0 | 0 | 0 | 113.1 | R2626 K2681 I2690 | D2622-R2626 IonicContact OD2-CZ 3.23Å; D2622-R2626 IonicContact OD2-NH1 3.32Å; D2622-R2626 PolarHBondContact OD2-NH1 3.05Å; D2622-K2681 IonicContact OD1-NZ 3.38Å; D2622-K2681 PolarHBondContact OD1-NZ 3.36Å; D2622-I2690 HydrophobicContact CB-CD1 4.36Å |
| 2623 | H | 86.3 | Confident | 89.3 | Confident | 86.2 Ų | 86.2 | 59.5 Ų | 59.5 | 40% | 0.399 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -153.3 | 143 | -177.6 | -174.2 | -98.7 | 0 | 0 | 0 | 109.7 | I2621 S2625 R2626 E2646 | I2621-H2623 VanDerWaalsContact CG2-O 3.23Å; I2621-H2623 WeakPolarHBondContact CG2-O 3.26Å; H2623-S2625 VanDerWaalsContact C-N 3.28Å; H2623-S2625 PolarHBondContact CE1-OG 2.99Å; H2623-S2625 WeakPolarHBondContact ND1-CB 3.29Å; H2623-S2625 PolarHBondContact ND1-N 3.14Å; H2623-S2625 PolarHBondContact ND1-OG 2.99Å; H2623-S2625 PolarHBondContact O-N 3.06Å; H2623-S2625 VanDerWaalsContact O-N 3.13Å; H2623-R2626 VanDerWaalsContact O-CB 3.31Å; H2623-R2626 WeakPolarHBondContact O-CB 3.4Å; H2623-R2626 PolarHBondContact O-N 3.18Å; H2623-E2646 IonicContact CD2-OE1 3.34Å |
| 2624 | P | 85.3 | Confident | 89.6 | Confident | 16.2 Ų | 16.2 | 60.3 Ų | 60.3 | 11% | 0.105 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -58.9 | -33.5 | -171.8 | 2.3 | -6.1 | 0 | 0 | 0 | 113.9 | Y2592 R2626 L2627 L2638 L2643 E2646 | Y2592-P2624 HydrophobicContact CE2-CB 4.33Å; Y2592-P2624 HydrophobicContact CE2-CG 3.93Å; Y2592-P2624 WeakPolarHBondContact OH-CD 3.39Å; Y2592-P2624 WeakPolarHBondContact OH-CG 3.5Å; P2624-R2626 PolarHBondContact O-N 3.18Å; P2624-R2626 VanDerWaalsContact O-N 3.15Å; P2624-L2627 WeakPolarHBondContact O-CB 3.23Å; P2624-L2627 PolarHBondContact O-N 3.18Å; P2624-L2638 HydrophobicContact CB-CD1 4.38Å; P2624-L2643 HydrophobicContact CB-CD2 4.5Å; P2624-E2646 WeakPolarHBondContact CD-OE1 3.39Å; P2624-E2646 HydrophobicContact CG-CG 4.14Å |
| 2625 | S | 87 | Confident | 89.8 | Confident | 64.4 Ų | 64.4 | 61.2 Ų | 61.2 | 45% | 0.45 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -61.9 | -21.6 | 177 | 50.5 | 0 | 0 | 0 | 0 | 114.3 | H2623 L2627 N2628 | H2623-S2625 VanDerWaalsContact C-N 3.28Å; H2623-S2625 PolarHBondContact CE1-OG 2.99Å; H2623-S2625 WeakPolarHBondContact ND1-CB 3.29Å; H2623-S2625 PolarHBondContact ND1-N 3.14Å; H2623-S2625 PolarHBondContact ND1-OG 2.99Å; H2623-S2625 PolarHBondContact O-N 3.06Å; H2623-S2625 VanDerWaalsContact O-N 3.13Å; S2625-L2627 VanDerWaalsContact C-N 3.3Å; S2625-L2627 PolarHBondContact O-N 2.89Å; S2625-N2628 VanDerWaalsContact O-CB 3.22Å; S2625-N2628 WeakPolarHBondContact O-CB 3.36Å; S2625-N2628 VanDerWaalsContact O-CG 3.28Å; S2625-N2628 PolarHBondContact O-N 3.21Å; S2625-N2628 VanDerWaalsContact O-N 3.11Å; S2625-N2628 PolarHBondContact O-ND2 3.1Å |
| 2626 | R | 90.2 | Very high | 89.9 | Confident | 70.6 Ų | 70.6 | 61 Ų | 61 | 27% | 0.266 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -72.4 | -16.8 | 172.8 | -141.1 | 179.6 | 131.1 | -123 | -24.9 | 112.4 | F2620 I2621 D2622 H2623 P2624 N2628 E2629 Y2630 | F2620-R2626 PolarHBondContact O-NH1 3.07Å; F2620-R2626 PolarHBondContact O-NH2 3.08Å; I2621-R2626 HydrophobicContact CD1-CB 4.37Å; I2621-R2626 HydrophobicContact CD1-CG 4.39Å; I2621-R2626 HydrophobicContact CG2-CB 4.23Å; D2622-R2626 IonicContact OD2-CZ 3.23Å; D2622-R2626 IonicContact OD2-NH1 3.32Å; D2622-R2626 PolarHBondContact OD2-NH1 3.05Å; H2623-R2626 VanDerWaalsContact O-CB 3.31Å; H2623-R2626 WeakPolarHBondContact O-CB 3.4Å; H2623-R2626 PolarHBondContact O-N 3.18Å; P2624-R2626 PolarHBondContact O-N 3.18Å; P2624-R2626 VanDerWaalsContact O-N 3.15Å; R2626-N2628 PolarHBondContact O-N 3.2Å; R2626-E2629 HydrophobicContact CG-CG 4.42Å; R2626-E2629 WeakPolarHBondContact CG-OE1 3.32Å; R2626-E2629 WeakPolarHBondContact CG-OE2 3.45Å; R2626-E2629 IonicContact CZ-OE2 2.78Å; R2626-E2629 IonicContact NE-OE1 3.55Å; R2626-E2629 PolarHBondContact NE-OE1 2.89Å; R2626-E2629 IonicContact NE-OE2 2.96Å; R2626-E2629 PolarHBondContact NE-OE2 3.03Å; R2626-E2629 IonicContact NH2-OE2 2.7Å; R2626-E2629 PolarHBondContact NH2-OE2 2.91Å; R2626-E2629 WeakPolarHBondContact O-CB 3.34Å; R2626-E2629 WeakPolarHBondContact O-CG 3.37Å; R2626-E2629 PolarHBondContact O-N 3.24Å; R2626-Y2630 PolarHBondContact NH2-OH 2.86Å; R2626-Y2630 WeakPolarHBondContact O-CD2 3.22Å |
| 2627 | L | 90.3 | Very high | 90 | Very high | 4.2 Ų | 4.2 | 56.9 Ų | 56.9 | 2% | 0.022 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -67.8 | -24.4 | 170.1 | -163.2 | 62.7 | 0 | 0 | 0 | 111.7 | V2554 Y2590 I2621 P2624 S2625 E2629 Y2630 I2631 Q2636 L2638 | V2554-L2627 HydrophobicContact CG2-CD1 4.39Å; V2554-L2627 HydrophobicContact CG2-CD2 4.48Å; Y2590-L2627 HydrophobicContact CD1-CD1 4.34Å; Y2590-L2627 HydrophobicContact CD2-CD1 4.31Å; Y2590-L2627 HydrophobicContact CG-CD1 3.95Å; I2621-L2627 HydrophobicContact CD1-CD1 4.44Å; I2621-L2627 HydrophobicContact CG1-CD1 4.38Å; P2624-L2627 WeakPolarHBondContact O-CB 3.23Å; P2624-L2627 PolarHBondContact O-N 3.18Å; S2625-L2627 VanDerWaalsContact C-N 3.3Å; S2625-L2627 PolarHBondContact O-N 2.89Å; L2627-E2629 PolarHBondContact O-N 3.19Å; L2627-E2629 VanDerWaalsContact O-N 3.16Å; L2627-Y2630 PolarHBondContact O-N 3.01Å; L2627-I2631 HydrophobicContact CD1-CD1 3.96Å; L2627-I2631 HydrophobicContact CD1-CG1 4.46Å; L2627-I2631 HydrophobicContact CD2-CD1 4.34Å; L2627-I2631 HydrophobicContact CG-CB 4.46Å; L2627-I2631 HydrophobicContact CG-CD1 4.1Å; L2627-I2631 HydrophobicContact CG-CG1 4.45Å; L2627-I2631 PolarHBondContact O-N 3.16Å; L2627-Q2636 HydrophobicContact CD2-CG 4.16Å; L2627-Q2636 HydrophobicContact CG-CG 4.45Å; L2627-L2638 HydrophobicContact CD2-CD1 4.17Å; L2627-L2638 HydrophobicContact CD2-CG 4.49Å |
| 2628 | N | 90.2 | Very high | 90 | Very high | 57.2 Ų | 57.2 | 54.4 Ų | 54.4 | 31% | 0.306 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -61 | -24.5 | 176.5 | -56.4 | -2.1 | 0 | 0 | 0 | 112.6 | R2509 S2625 R2626 Y2630 I2631 Q2636 | R2509-N2628 VanDerWaalsContact CZ-O 3.28Å; R2509-N2628 PolarHBondContact NE-O 3.14Å; R2509-N2628 PolarHBondContact NH2-O 3.31Å; S2625-N2628 VanDerWaalsContact O-CB 3.22Å; S2625-N2628 WeakPolarHBondContact O-CB 3.36Å; S2625-N2628 VanDerWaalsContact O-CG 3.28Å; S2625-N2628 PolarHBondContact O-N 3.21Å; S2625-N2628 VanDerWaalsContact O-N 3.11Å; S2625-N2628 PolarHBondContact O-ND2 3.1Å; R2626-N2628 PolarHBondContact O-N 3.2Å; N2628-Y2630 PolarHBondContact O-N 3.13Å; N2628-I2631 WeakPolarHBondContact CA-O 3.33Å; N2628-Q2636 PolarHBondContact OD1-NE2 2.97Å |
| 2629 | E | 89.9 | Confident | 89.9 | Confident | 109.4 Ų | 109.4 | 53.9 Ų | 53.9 | 51% | 0.511 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -62.7 | -24.1 | 174.3 | -62.6 | 173.6 | 179.8 | 0 | 0 | 112.1 | R2509 R2626 L2627 | R2509-E2629 VanDerWaalsContact CD-O 3.29Å; R2509-E2629 WeakPolarHBondContact CD-O 3.41Å; R2509-E2629 PolarHBondContact NE-O 3.06Å; R2626-E2629 HydrophobicContact CG-CG 4.42Å; R2626-E2629 WeakPolarHBondContact CG-OE1 3.32Å; R2626-E2629 WeakPolarHBondContact CG-OE2 3.45Å; R2626-E2629 IonicContact CZ-OE2 2.78Å; R2626-E2629 IonicContact NE-OE1 3.55Å; R2626-E2629 PolarHBondContact NE-OE1 2.89Å; R2626-E2629 IonicContact NE-OE2 2.96Å; R2626-E2629 PolarHBondContact NE-OE2 3.03Å; R2626-E2629 IonicContact NH2-OE2 2.7Å; R2626-E2629 PolarHBondContact NH2-OE2 2.91Å; R2626-E2629 WeakPolarHBondContact O-CB 3.34Å; R2626-E2629 WeakPolarHBondContact O-CG 3.37Å; R2626-E2629 PolarHBondContact O-N 3.24Å; L2627-E2629 PolarHBondContact O-N 3.19Å; L2627-E2629 VanDerWaalsContact O-N 3.16Å |
| 2630 | Y | 91.1 | Very high | 89.7 | Confident | 62.2 Ų | 62.2 | 55.7 Ų | 55.7 | 24% | 0.244 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | -32.1 | -170.5 | -53.2 | -76.8 | 0 | 0 | 0 | 113.8 | R2509 Y2590 I2619 I2621 R2626 L2627 N2628 | R2509-Y2630 WeakPolarHBondContact CB-O 3.3Å; R2509-Y2630 WeakPolarHBondContact CG-O 3.39Å; R2509-Y2630 PolarHBondContact N-O 3.23Å; Y2590-Y2630 AromaticContact CD1-CD2 3.94Å; Y2590-Y2630 HydrophobicContact CD1-CD2 4.09Å; Y2590-Y2630 HydrophobicContact CD1-CE2 4.37Å; Y2590-Y2630 HydrophobicContact CD1-CG 4.21Å; Y2590-Y2630 AromaticContact CE1-CD1 3.68Å; Y2590-Y2630 HydrophobicContact CE1-CD1 3.68Å; Y2590-Y2630 AromaticContact CE1-CD2 3.68Å; Y2590-Y2630 HydrophobicContact CE1-CD2 3.68Å; Y2590-Y2630 VanDerWaalsContact CE1-CD2 3.49Å; Y2590-Y2630 HydrophobicContact CE1-CE1 4.25Å; Y2590-Y2630 HydrophobicContact CE1-CE2 4.17Å; Y2590-Y2630 AromaticContact CE1-CG 3.37Å; Y2590-Y2630 HydrophobicContact CE1-CG 3.37Å; Y2590-Y2630 AromaticContact CZ-CG 3.83Å; Y2590-Y2630 WeakPolarHBondContact OH-CB 3.34Å; I2619-Y2630 HydrophobicContact CD1-CD1 4.45Å; I2619-Y2630 HydrophobicContact CD1-CE1 4.05Å; I2619-Y2630 HydrophobicContact CG2-CE2 4.14Å; I2621-Y2630 HydrophobicContact CD1-CD2 4.25Å; I2621-Y2630 HydrophobicContact CD1-CE2 3.96Å; R2626-Y2630 PolarHBondContact NH2-OH 2.86Å; R2626-Y2630 WeakPolarHBondContact O-CD2 3.22Å; L2627-Y2630 PolarHBondContact O-N 3.01Å; N2628-Y2630 PolarHBondContact O-N 3.13Å |
| 2631 | I | 92.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -131.3 | 128.1 | -177 | -53.9 | 173.7 | 0 | 0 | 0 | 108.2 | V2514 V2554 Y2590 L2627 N2628 Q2635 Q2636 | V2514-I2631 HydrophobicContact CB-CD1 4.49Å; V2514-I2631 HydrophobicContact CG1-CD1 3.87Å; V2514-I2631 HydrophobicContact CG2-CD1 3.94Å; V2514-I2631 HydrophobicContact CG2-CG1 4.27Å; V2554-I2631 HydrophobicContact CG2-CD1 3.81Å; Y2590-I2631 HydrophobicContact CD2-CD1 4.41Å; Y2590-I2631 HydrophobicContact CE2-CD1 4.39Å; L2627-I2631 HydrophobicContact CD1-CD1 3.96Å; L2627-I2631 HydrophobicContact CD1-CG1 4.46Å; L2627-I2631 HydrophobicContact CD2-CD1 4.34Å; L2627-I2631 HydrophobicContact CG-CB 4.46Å; L2627-I2631 HydrophobicContact CG-CD1 4.1Å; L2627-I2631 HydrophobicContact CG-CG1 4.45Å; L2627-I2631 PolarHBondContact O-N 3.16Å; N2628-I2631 WeakPolarHBondContact CA-O 3.33Å; I2631-Q2635 HydrophobicContact CG2-CB 3.86Å; I2631-Q2636 HydrophobicContact CB-CG 4Å; I2631-Q2636 HydrophobicContact CG2-CG 3.68Å; I2631-Q2636 PolarHBondContact O-NE2 3.3Å |
| 2632 | E | 89.8 | Confident | 89.2 | Confident | 79.8 Ų | 79.8 | 56.3 Ų | 56.3 | 37% | 0.373 | 30% | 0.298 | S | S | . | . | trans | -59.8 | 141.8 | 176.9 | -70.8 | -71.5 | -172.4 | 0 | 0 | 111.4 | R2509 D2634 Q2635 Q2636 | R2509-E2632 HydrophobicContact CG-CG 4.38Å; R2509-E2632 VanDerWaalsContact CZ-CD 3.44Å; R2509-E2632 IonicContact CZ-OE1 2.99Å; R2509-E2632 IonicContact CZ-OE2 3.3Å; R2509-E2632 VanDerWaalsContact CZ-OE2 3.29Å; R2509-E2632 VanDerWaalsContact NH1-CD 3.32Å; R2509-E2632 IonicContact NH1-OE1 3.02Å; R2509-E2632 PolarHBondContact NH1-OE1 3.21Å; R2509-E2632 IonicContact NH1-OE2 3.08Å; R2509-E2632 PolarHBondContact NH1-OE2 2.83Å; R2509-E2632 VanDerWaalsContact NH2-CD 3.29Å; R2509-E2632 IonicContact NH2-OE1 3.27Å; R2509-E2632 PolarHBondContact NH2-OE1 2.68Å; R2509-E2632 IonicContact NH2-OE2 2.87Å; R2509-E2632 PolarHBondContact NH2-OE2 3.39Å; E2632-D2634 VanDerWaalsContact C-N 3.27Å; E2632-D2634 VanDerWaalsContact CB-OD1 3.25Å; E2632-D2634 WeakPolarHBondContact CB-OD1 3.47Å; E2632-D2634 PolarHBondContact O-N 3.04Å; E2632-D2634 VanDerWaalsContact O-N 3.13Å; E2632-Q2635 HydrophobicContact CB-CB 4.47Å; E2632-Q2635 HydrophobicContact CB-CG 4.18Å; E2632-Q2635 WeakPolarHBondContact O-CA 3.35Å; E2632-Q2635 WeakPolarHBondContact O-CB 3.39Å; E2632-Q2635 PolarHBondContact O-N 3.31Å; E2632-Q2636 PolarHBondContact O-N 3.13Å | ||
| 2633 | P | 88 | Confident | 89.4 | Confident | 70.4 Ų | 70.4 | 57.1 Ų | 57.1 | 46% | 0.457 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -54.8 | -36.4 | -174.4 | -27.8 | 35.7 | 0 | 0 | 0 | 114.6 | Q2635 Q2636 | P2633-Q2635 VanDerWaalsContact C-N 3.29Å; P2633-Q2635 PolarHBondContact O-N 3.25Å; P2633-Q2636 WeakPolarHBondContact O-CB 3.3Å; P2633-Q2636 PolarHBondContact O-N 3Å; P2633-Q2636 VanDerWaalsContact O-N 3.14Å |
| 2634 | D | 89.7 | Confident | 89.5 | Confident | 113.8 Ų | 113.8 | 55.6 Ų | 55.6 | 61% | 0.609 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -69.4 | -23.5 | 177.9 | 22.1 | -51.6 | 0 | 0 | 0 | 113.6 | E2632 R2637 | E2632-D2634 VanDerWaalsContact C-N 3.27Å; E2632-D2634 VanDerWaalsContact CB-OD1 3.25Å; E2632-D2634 WeakPolarHBondContact CB-OD1 3.47Å; E2632-D2634 PolarHBondContact O-N 3.04Å; E2632-D2634 VanDerWaalsContact O-N 3.13Å; D2634-R2637 PolarHBondContact O-NH1 2.92Å; D2634-R2637 PolarHBondContact O-NH2 3.09Å |
| 2635 | Q | 90.6 | Very high | 89.7 | Confident | 64.8 Ų | 64.8 | 55.2 Ų | 55.2 | 30% | 0.303 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -88.2 | -14.7 | 176.3 | -60 | -60 | -47.4 | 0 | 0 | 112.5 | G2506 T2507 I2631 E2632 P2633 R2637 | G2506-Q2635 VanDerWaalsContact CA-OE1 3.27Å; T2507-Q2635 VanDerWaalsContact N-OE1 3.13Å; T2507-Q2635 WeakPolarHBondContact O-CB 3.33Å; T2507-Q2635 PolarHBondContact OG1-OE1 3.15Å; I2631-Q2635 HydrophobicContact CG2-CB 3.86Å; E2632-Q2635 HydrophobicContact CB-CB 4.47Å; E2632-Q2635 HydrophobicContact CB-CG 4.18Å; E2632-Q2635 WeakPolarHBondContact O-CA 3.35Å; E2632-Q2635 WeakPolarHBondContact O-CB 3.39Å; E2632-Q2635 PolarHBondContact O-N 3.31Å; P2633-Q2635 VanDerWaalsContact C-N 3.29Å; P2633-Q2635 PolarHBondContact O-N 3.25Å; Q2635-R2637 PolarHBondContact O-N 2.92Å |
| 2636 | Q | 90.5 | Very high | 89.6 | Confident | 33 Ų | 33 | 53.9 Ų | 53.9 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | trans | -73.7 | 129.2 | 179.4 | -66.9 | 179.1 | 30.5 | 0 | 0 | 111.4 | Y2516 L2627 N2628 I2631 E2632 P2633 | Y2516-Q2636 WeakPolarHBondContact OH-CA 3.38Å; L2627-Q2636 HydrophobicContact CD2-CG 4.16Å; L2627-Q2636 HydrophobicContact CG-CG 4.45Å; N2628-Q2636 PolarHBondContact OD1-NE2 2.97Å; I2631-Q2636 HydrophobicContact CB-CG 4Å; I2631-Q2636 HydrophobicContact CG2-CG 3.68Å; I2631-Q2636 PolarHBondContact O-NE2 3.3Å; E2632-Q2636 PolarHBondContact O-N 3.13Å; P2633-Q2636 WeakPolarHBondContact O-CB 3.3Å; P2633-Q2636 PolarHBondContact O-N 3Å; P2633-Q2636 VanDerWaalsContact O-N 3.14Å | ||
| 2637 | R | 91 | Very high | 89.4 | Confident | 152.4 Ų | 152.4 | 55.8 Ų | 55.8 | 58% | 0.575 | 29% | 0.294 | S | S | * | . | trans | -131.5 | 46.8 | -178.8 | -63.9 | -64.6 | 178.6 | 160.3 | -1.7 | 112 | Y2503 A2505 Y2516 D2634 Q2635 | Y2503-R2637 HydrophobicContact CE2-CB 4.47Å; Y2503-R2637 PolarHBondContact OH-O 3.27Å; Y2503-R2637 VanDerWaalsContact OH-O 3.08Å; A2505-R2637 HydrophobicContact CB-CB 3.72Å; A2505-R2637 HydrophobicContact CB-CG 3.86Å; Y2516-R2637 HydrophobicContact CE2-CB 4.31Å; Y2516-R2637 PolarHBondContact OH-N 3.07Å; Y2516-R2637 VanDerWaalsContact OH-N 3.1Å; D2634-R2637 PolarHBondContact O-NH1 2.92Å; D2634-R2637 PolarHBondContact O-NH2 3.09Å; Q2635-R2637 PolarHBondContact O-N 2.92Å | ||
| 2638 | L | 90.4 | Very high | 89.1 | Confident | 16.8 Ų | 16.8 | 62 Ų | 62 | 9% | 0.088 | 33% | 0.327 | C | S | . | . | trans | -61.8 | 150.6 | 166 | -73.8 | 172.5 | 0 | 0 | 0 | 110.6 | Y2516 V2554 P2624 L2627 L2643 | Y2516-L2638 HydrophobicContact CD1-CD2 4.11Å; Y2516-L2638 HydrophobicContact CE1-CD2 3.91Å; Y2516-L2638 HydrophobicContact CE1-CG 4.11Å; V2554-L2638 HydrophobicContact CG1-CD2 4Å; P2624-L2638 HydrophobicContact CB-CD1 4.38Å; L2627-L2638 HydrophobicContact CD2-CD1 4.17Å; L2627-L2638 HydrophobicContact CD2-CG 4.49Å; L2638-L2643 HydrophobicContact CB-CD2 4.34Å; L2638-L2643 HydrophobicContact CB-CG 4.4Å; L2638-L2643 HydrophobicContact CD1-CD2 4.24Å | ||
| 2639 | P | 90.9 | Very high | 89 | Confident | 9.2 Ų | 9.2 | 61.6 Ų | 61.6 | 6% | 0.06 | 33% | 0.325 | C | S | . | . | trans | -60.9 | 140 | 176.7 | -22 | 32.8 | 0 | 0 | 0 | 112.2 | I2518 G2641 T2642 L2643 | I2518-P2639 HydrophobicContact CD1-CG 3.59Å; I2518-P2639 VanDerWaalsContact CD1-CG 3.47Å; I2518-P2639 HydrophobicContact CG1-CG 3.86Å; I2518-P2639 HydrophobicContact CG2-CG 4.03Å; P2639-G2641 VanDerWaalsContact C-N 3.28Å; P2639-G2641 PolarHBondContact O-N 3.11Å; P2639-T2642 WeakPolarHBondContact O-CA 3.42Å; P2639-T2642 VanDerWaalsContact O-CB 3.26Å; P2639-T2642 WeakPolarHBondContact O-CB 3.34Å; P2639-T2642 PolarHBondContact O-N 3.11Å; P2639-L2643 PolarHBondContact O-N 2.99Å | ||
| 2640 | A | 88.3 | Confident | 89.1 | Confident | 72.8 Ų | 72.8 | 64.3 Ų | 64.3 | 60% | 0.602 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -55.2 | -42.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T2642 L2643 V2644 | A2640-T2642 PolarHBondContact O-N 3.25Å; A2640-T2642 VanDerWaalsContact O-N 3.11Å; A2640-L2643 PolarHBondContact O-N 3.01Å; A2640-V2644 VanDerWaalsContact O-CG2 3.32Å; A2640-V2644 WeakPolarHBondContact O-CG2 3.4Å; A2640-V2644 PolarHBondContact O-N 3.28Å |
| 2641 | G | 85.7 | Confident | 89.2 | Confident | 40.4 Ų | 40.4 | 64.7 Ų | 64.7 | 42% | 0.416 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.3 | 1.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | R2520 P2639 | R2520-G2641 VanDerWaalsContact NH2-C 3.33Å; R2520-G2641 PolarHBondContact NH2-O 2.91Å; R2520-G2641 VanDerWaalsContact NH2-O 3.16Å; P2639-G2641 VanDerWaalsContact C-N 3.28Å; P2639-G2641 PolarHBondContact O-N 3.11Å |
| 2642 | T | 89.7 | Confident | 89.2 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -94.9 | -40.2 | 163.9 | -57.4 | 0 | 0 | 0 | 0 | 110.2 | R2520 D2556 Y2592 P2639 A2640 L2645 | R2520-T2642 PolarHBondContact NH1-OG1 3.23Å; R2520-T2642 VanDerWaalsContact NH1-OG1 3.14Å; R2520-T2642 PolarHBondContact NH2-OG1 3.12Å; D2556-T2642 WeakPolarHBondContact OD2-CG2 3.45Å; D2556-T2642 PolarHBondContact OD2-OG1 3.19Å; Y2592-T2642 HydrophobicContact CD1-CG2 4.11Å; Y2592-T2642 HydrophobicContact CE1-CG2 3.5Å; Y2592-T2642 VanDerWaalsContact CE1-CG2 3.46Å; P2639-T2642 WeakPolarHBondContact O-CA 3.42Å; P2639-T2642 VanDerWaalsContact O-CB 3.26Å; P2639-T2642 WeakPolarHBondContact O-CB 3.34Å; P2639-T2642 PolarHBondContact O-N 3.11Å; A2640-T2642 PolarHBondContact O-N 3.25Å; A2640-T2642 VanDerWaalsContact O-N 3.11Å; T2642-L2645 WeakPolarHBondContact O-CB 3.36Å; T2642-L2645 PolarHBondContact O-N 3.1Å |
| 2643 | L | 89.3 | Confident | 89.4 | Confident | 74.2 Ų | 74.2 | 67.7 Ų | 67.7 | 39% | 0.388 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70.7 | -42.5 | -179 | -62.2 | 173.2 | 0 | 0 | 0 | 112.6 | P2624 L2638 P2639 A2640 L2645 E2646 | P2624-L2643 HydrophobicContact CB-CD2 4.5Å; L2638-L2643 HydrophobicContact CB-CD2 4.34Å; L2638-L2643 HydrophobicContact CB-CG 4.4Å; L2638-L2643 HydrophobicContact CD1-CD2 4.24Å; P2639-L2643 PolarHBondContact O-N 2.99Å; A2640-L2643 PolarHBondContact O-N 3.01Å; L2643-L2645 PolarHBondContact O-N 3.13Å; L2643-L2645 VanDerWaalsContact O-N 3.12Å; L2643-E2646 PolarHBondContact O-N 3.25Å |
| 2644 | V | 89.5 | Confident | 89.5 | Confident | 54.4 Ų | 54.4 | 67.4 Ų | 67.4 | 33% | 0.33 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -57.9 | -18.1 | 176.9 | 171.3 | 0 | 0 | 0 | 0 | 113 | A2640 E2646 E2647 | A2640-V2644 VanDerWaalsContact O-CG2 3.32Å; A2640-V2644 WeakPolarHBondContact O-CG2 3.4Å; A2640-V2644 PolarHBondContact O-N 3.28Å; V2644-E2646 VanDerWaalsContact C-N 3.32Å; V2644-E2646 PolarHBondContact O-N 2.91Å; V2644-E2647 PolarHBondContact O-N 3.15Å |
| 2645 | L | 88.2 | Confident | 89.6 | Confident | 7.8 Ų | 7.8 | 62 Ų | 62 | 4% | 0.041 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -73 | -22.3 | 175.3 | -68.5 | 171.5 | 0 | 0 | 0 | 113.3 | T2558 T2642 L2643 L2649 C2670 A2673 Q2675 V2694 Y2696 | T2558-L2645 HydrophobicContact CG2-CD1 3.35Å; T2642-L2645 WeakPolarHBondContact O-CB 3.36Å; T2642-L2645 PolarHBondContact O-N 3.1Å; L2643-L2645 PolarHBondContact O-N 3.13Å; L2643-L2645 VanDerWaalsContact O-N 3.12Å; L2645-L2649 VanDerWaalsContact O-CD2 3.28Å; L2645-L2649 WeakPolarHBondContact O-CD2 3.33Å; L2645-C2670 PolarHBondContact O-SG 3.11Å; L2645-A2673 HydrophobicContact CD2-CB 3.65Å; L2645-Q2675 PolarHBondContact O-NE2 3.33Å; L2645-V2694 HydrophobicContact CD1-CG1 4.18Å; L2645-V2694 HydrophobicContact CD2-CG1 4.42Å; L2645-Y2696 HydrophobicContact CD2-CE1 4.26Å |
| 2646 | E | 86.2 | Confident | 89.8 | Confident | 37.8 Ų | 37.8 | 61.2 Ų | 61.2 | 18% | 0.177 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -94.7 | 1.1 | 176.3 | -56.7 | -73.5 | -170.2 | 0 | 0 | 112.5 | Y2592 H2623 P2624 L2643 V2644 L2649 K2668 Q2675 | Y2592-E2646 PolarHBondContact OH-OE1 3.07Å; H2623-E2646 IonicContact CD2-OE1 3.34Å; P2624-E2646 WeakPolarHBondContact CD-OE1 3.39Å; P2624-E2646 HydrophobicContact CG-CG 4.14Å; L2643-E2646 PolarHBondContact O-N 3.25Å; V2644-E2646 VanDerWaalsContact C-N 3.32Å; V2644-E2646 PolarHBondContact O-N 2.91Å; E2646-L2649 HydrophobicContact CB-CD1 4.43Å; E2646-L2649 WeakPolarHBondContact O-CD1 3.34Å; E2646-L2649 WeakPolarHBondContact OE2-CD1 3.4Å; E2646-K2668 VanDerWaalsContact CD-NZ 3.25Å; E2646-K2668 IonicContact OE1-NZ 2.91Å; E2646-K2668 PolarHBondContact OE1-NZ 3.05Å; E2646-K2668 IonicContact OE2-NZ 2.74Å; E2646-K2668 PolarHBondContact OE2-NZ 3.08Å; E2646-Q2675 PolarHBondContact OE1-NE2 3.05Å; E2646-Q2675 PolarHBondContact OE1-OE1 2.83Å; E2646-Q2675 PolarHBondContact OE2-NE2 2.94Å |
| 2647 | E | 85.5 | Confident | 89.9 | Confident | 110.2 Ų | 110.2 | 61.1 Ų | 61.1 | 52% | 0.515 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -91 | 148.5 | 176.1 | -64.2 | 173.6 | 173.6 | 0 | 0 | 111.2 | V2644 L2649 | V2644-E2647 PolarHBondContact O-N 3.15Å; E2647-L2649 VanDerWaalsContact C-N 3.29Å; E2647-L2649 PolarHBondContact O-N 3.06Å; E2647-L2649 VanDerWaalsContact O-N 3.11Å |
| 2648 | D | 84.2 | Confident | 89.8 | Confident | 134.8 Ų | 134.8 | 56.2 Ų | 56.2 | 72% | 0.721 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 50.2 | 35.7 | 176.8 | -68.2 | -20.6 | 0 | 0 | 0 | 116 | R2650 T2671 | D2648-R2650 PolarHBondContact O-N 3.2Å; D2648-T2671 HydrophobicContact CB-CG2 3.84Å |
| 2649 | L | 87 | Confident | 89.5 | Confident | 49 Ų | 49 | 58.8 Ų | 58.8 | 26% | 0.257 | 34% | 0.338 | S | S | . | . | trans | -71.6 | 120.5 | -177.9 | -71 | 176.5 | 0 | 0 | 0 | 114 | L2645 E2646 E2647 V2651 K2668 C2670 | L2645-L2649 VanDerWaalsContact O-CD2 3.28Å; L2645-L2649 WeakPolarHBondContact O-CD2 3.33Å; E2646-L2649 HydrophobicContact CB-CD1 4.43Å; E2646-L2649 WeakPolarHBondContact O-CD1 3.34Å; E2646-L2649 WeakPolarHBondContact OE2-CD1 3.4Å; E2647-L2649 VanDerWaalsContact C-N 3.29Å; E2647-L2649 PolarHBondContact O-N 3.06Å; E2647-L2649 VanDerWaalsContact O-N 3.11Å; L2649-V2651 HydrophobicContact CB-CG2 4.05Å; L2649-K2668 HydrophobicContact CD1-CD 3.94Å; L2649-K2668 HydrophobicContact CD2-CB 3.9Å; L2649-K2668 HydrophobicContact CD2-CD 4.07Å; L2649-K2668 HydrophobicContact CG-CD 4.49Å; L2649-C2670 HydrophobicContact CD2-CB 4Å; L2649-C2670 VanDerWaalsContact CD2-SG 3.53Å; L2649-C2670 WeakPolarHBondContact CD2-SG 3.31Å | ||
| 2650 | R | 92.1 | Very high | 88.8 | Confident | 165.6 Ų | 165.6 | 67.2 Ų | 67.2 | 63% | 0.625 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 110.7 | 158.7 | -66.9 | -174.1 | 179.6 | -165.4 | 0.2 | 109.6 | D2648 F2652 K2668 V2669 | D2648-R2650 PolarHBondContact O-N 3.2Å; R2650-F2652 HydrophobicContact CB-CE2 4.11Å; R2650-K2668 CarbonylContact O-C 3.57Å; R2650-K2668 WeakPolarHBondContact O-CA 3.27Å; R2650-V2669 HydrophobicContact CB-CB 4.35Å; R2650-V2669 PolarHBondContact N-O 3.24Å; R2650-V2669 PolarHBondContact O-N 3.12Å |
| 2651 | V | 93.3 | Very high | 88.5 | Confident | 69.8 Ų | 69.8 | 71 Ų | 71 | 42% | 0.423 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 121.2 | -175.2 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | L2649 K2668 | L2649-V2651 HydrophobicContact CB-CG2 4.05Å; V2651-K2668 HydrophobicContact CG1-CG 4.37Å; V2651-K2668 HydrophobicContact CG2-CB 4.3Å; V2651-K2668 HydrophobicContact CG2-CG 4.25Å |
| 2652 | F | 93.9 | Very high | 88.6 | Confident | 33 Ų | 33 | 73 Ų | 73 | 15% | 0.145 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 107.2 | 174.5 | -58.2 | -90.9 | 0 | 0 | 0 | 109.4 | R2650 A2666 I2667 V2669 I2732 | R2650-F2652 HydrophobicContact CB-CE2 4.11Å; F2652-A2666 CarbonylContact O-C 3.56Å; F2652-A2666 WeakPolarHBondContact O-CA 3.34Å; F2652-I2667 HydrophobicContact CB-CB 4.44Å; F2652-I2667 WeakPolarHBondContact CD2-O 3.49Å; F2652-I2667 PolarHBondContact N-O 3.27Å; F2652-I2667 PolarHBondContact O-N 3.24Å; F2652-V2669 HydrophobicContact CD2-CG2 4.22Å; F2652-V2669 HydrophobicContact CE2-CB 4.4Å; F2652-V2669 HydrophobicContact CE2-CG2 3.96Å; F2652-I2732 HydrophobicContact CB-CD1 3.93Å; F2652-I2732 HydrophobicContact CB-CG1 4.13Å; F2652-I2732 HydrophobicContact CD1-CD1 4.06Å; F2652-I2732 HydrophobicContact CD1-CG1 3.52Å; F2652-I2732 VanDerWaalsContact CD1-CG1 3.49Å; F2652-I2732 HydrophobicContact CD2-CD1 4.44Å; F2652-I2732 HydrophobicContact CD2-CG1 3.78Å; F2652-I2732 HydrophobicContact CE1-CG1 3.73Å; F2652-I2732 HydrophobicContact CE2-CG1 3.98Å; F2652-I2732 HydrophobicContact CG-CD1 3.92Å; F2652-I2732 HydrophobicContact CG-CG1 3.54Å; F2652-I2732 HydrophobicContact CZ-CG1 3.94Å |
| 2653 | N | 93.1 | Very high | 88.6 | Confident | 111 Ų | 111 | 74.8 Ų | 74.8 | 59% | 0.594 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 151.5 | -177.4 | -68.8 | -49.9 | 0 | 0 | 0 | 111.9 | A2666 H2726 | N2653-A2666 WeakPolarHBondContact OD1-CB 3.3Å; N2653-H2726 PolarHBondContact O-NE2 3.2Å; N2653-H2726 VanDerWaalsContact O-NE2 3.12Å |
| 2654 | G | 89.4 | Confident | 88.8 | Confident | 64 Ų | 64 | 77 Ų | 77 | 66% | 0.66 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 84.7 | 10.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 2655 | A | 93.2 | Very high | 89.1 | Confident | 0.2 Ų | 0.2 | 74.6 Ų | 74.6 | 0% | 0.002 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 152.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V2665 I2667 I2725 H2726 | A2655-V2665 HydrophobicContact CB-CG2 3.99Å; A2655-V2665 PolarHBondContact N-O 3.15Å; A2655-V2665 VanDerWaalsContact N-O 3.11Å; A2655-V2665 WeakPolarHBondContact O-CG2 3.27Å; A2655-V2665 PolarHBondContact O-N 3.2Å; A2655-V2665 VanDerWaalsContact O-O 3.1Å; A2655-I2667 HydrophobicContact CB-CD1 3.82Å; A2655-I2667 HydrophobicContact CB-CG1 4.07Å; A2655-I2725 CarbonylContact C-O 3.5Å; A2655-I2725 VanDerWaalsContact CA-O 3.29Å; A2655-I2725 WeakPolarHBondContact CA-O 3.42Å; A2655-H2726 HydrophobicContact CB-CB 4.16Å |
| 2656 | L | 93.6 | Very high | 89.4 | Confident | 47.8 Ų | 47.8 | 74.7 Ų | 74.7 | 25% | 0.25 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 116.1 | 177.1 | -168.5 | 72.3 | 0 | 0 | 0 | 109.4 | L2658 D2662 K2664 F2724 I2725 | L2656-L2658 HydrophobicContact CD2-CD2 4.12Å; L2656-L2658 HydrophobicContact CG-CD2 4.46Å; L2656-L2658 PolarHBondContact O-N 3.16Å; L2656-D2662 HydrophobicContact CD1-CB 4.01Å; L2656-D2662 HydrophobicContact CD2-CB 4.08Å; L2656-D2662 HydrophobicContact CG-CB 4.06Å; L2656-K2664 HydrophobicContact CD1-CG 3.92Å; L2656-F2724 CarbonylContact O-C 3.56Å; L2656-F2724 VanDerWaalsContact O-CA 3.29Å; L2656-F2724 WeakPolarHBondContact O-CA 3.37Å; L2656-I2725 HydrophobicContact CB-CB 4.32Å; L2656-I2725 PolarHBondContact N-O 3.09Å; L2656-I2725 PolarHBondContact O-N 2.82Å |
| 2657 | K | 93.4 | Very high | 89.8 | Confident | 31.6 Ų | 31.6 | 73 Ų | 73 | 14% | 0.137 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 111 | 171 | -175.9 | 176 | -175.3 | 172.9 | 0 | 107.9 | D2662 T2663 V2665 V2676 D2693 F2724 | K2657-D2662 WeakPolarHBondContact O-CA 3.29Å; K2657-T2663 PolarHBondContact N-O 3.25Å; K2657-T2663 PolarHBondContact O-N 3.05Å; K2657-T2663 VanDerWaalsContact O-N 3.07Å; K2657-V2665 HydrophobicContact CB-CG1 3.97Å; K2657-V2665 HydrophobicContact CB-CG2 4.09Å; K2657-V2676 HydrophobicContact CD-CG1 4.32Å; K2657-D2693 IonicContact NZ-OD2 3.03Å; K2657-D2693 PolarHBondContact NZ-OD2 2.83Å; K2657-F2724 HydrophobicContact CB-CD1 3.98Å; K2657-F2724 HydrophobicContact CB-CE1 3.82Å; K2657-F2724 HydrophobicContact CD-CE1 4.09Å; K2657-F2724 HydrophobicContact CD-CZ 4.36Å; K2657-F2724 HydrophobicContact CG-CD1 4.23Å; K2657-F2724 HydrophobicContact CG-CE1 3.73Å; K2657-F2724 HydrophobicContact CG-CZ 4.36Å |
| 2658 | L | 89.3 | Confident | 90.3 | Very high | 48.2 Ų | 48.2 | 69.2 Ų | 69.2 | 25% | 0.252 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 132 | 178 | -64.9 | 176.1 | 0 | 0 | 0 | 109.9 | L2656 D2662 Q2710 S2723 I2725 | L2656-L2658 HydrophobicContact CD2-CD2 4.12Å; L2656-L2658 HydrophobicContact CG-CD2 4.46Å; L2656-L2658 PolarHBondContact O-N 3.16Å; L2658-D2662 VanDerWaalsContact CA-OD1 3.29Å; L2658-D2662 WeakPolarHBondContact CA-OD1 3.32Å; L2658-Q2710 HydrophobicContact CD1-CG 4.42Å; L2658-Q2710 VanDerWaalsContact CD1-OE1 3.25Å; L2658-S2723 PolarHBondContact N-O 3.14Å; L2658-I2725 HydrophobicContact CD1-CD1 4.01Å; L2658-I2725 HydrophobicContact CD1-CG1 3.99Å; L2658-I2725 HydrophobicContact CD2-CD1 3.9Å; L2658-I2725 HydrophobicContact CD2-CG1 4.31Å; L2658-I2725 HydrophobicContact CG-CD1 4.24Å; L2658-I2725 HydrophobicContact CG-CG1 4.23Å |
| 2659 | S | 83.3 | Confident | 90.7 | Very high | 72.6 Ų | 72.6 | 63 Ų | 63 | 51% | 0.508 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -160.5 | -166.3 | 172.8 | 83 | 0 | 0 | 0 | 0 | 110.7 | K2661 D2662 | S2659-K2661 PolarHBondContact O-N 3.02Å; S2659-K2661 VanDerWaalsContact O-N 3.13Å; S2659-K2661 VanDerWaalsContact OG-C 3.3Å; S2659-K2661 PolarHBondContact OG-N 3.15Å; S2659-K2661 VanDerWaalsContact OG-N 3.1Å; S2659-K2661 PolarHBondContact OG-O 3.03Å; S2659-D2662 PolarHBondContact N-OD1 3.24Å; S2659-D2662 VanDerWaalsContact N-OD1 3.15Å |
| 2660 | H | 77 | Confident | 90.9 | Very high | 184.4 Ų | 184.4 | 60.8 Ų | 60.8 | 85% | 0.854 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -59.5 | -20.9 | 168.6 | -161.4 | -40 | 0 | 0 | 0 | 112.5 | S2381 | S2381-H2660 PolarHBondContact OG-CE1 2.93Å; S2381-H2660 VanDerWaalsContact OG-CE1 3.3Å |
| 2661 | K | 81.5 | Confident | 90.7 | Very high | 153 Ų | 153 | 55 Ų | 55 | 67% | 0.665 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -136.8 | 110.1 | 162.9 | -135.9 | -173.3 | 176.5 | -170.9 | 0 | 109.5 | S2659 T2663 | S2659-K2661 PolarHBondContact O-N 3.02Å; S2659-K2661 VanDerWaalsContact O-N 3.13Å; S2659-K2661 VanDerWaalsContact OG-C 3.3Å; S2659-K2661 PolarHBondContact OG-N 3.15Å; S2659-K2661 VanDerWaalsContact OG-N 3.1Å; S2659-K2661 PolarHBondContact OG-O 3.03Å; K2661-T2663 PolarHBondContact O-N 3.29Å; K2661-T2663 PolarHBondContact O-OG1 3.06Å; K2661-T2663 VanDerWaalsContact O-OG1 3.08Å |
| 2662 | D | 88.5 | Confident | 90.5 | Very high | 83.6 Ų | 83.6 | 55.4 Ų | 55.4 | 45% | 0.447 | 30% | 0.298 | S | S | . | . | trans | -58.2 | 133.3 | 179.1 | -59.4 | -26.5 | 0 | 0 | 0 | 110.9 | L2656 K2657 L2658 S2659 | L2656-D2662 HydrophobicContact CD1-CB 4.01Å; L2656-D2662 HydrophobicContact CD2-CB 4.08Å; L2656-D2662 HydrophobicContact CG-CB 4.06Å; K2657-D2662 WeakPolarHBondContact O-CA 3.29Å; L2658-D2662 VanDerWaalsContact CA-OD1 3.29Å; L2658-D2662 WeakPolarHBondContact CA-OD1 3.32Å; S2659-D2662 PolarHBondContact N-OD1 3.24Å; S2659-D2662 VanDerWaalsContact N-OD1 3.15Å | ||
| 2663 | T | 89.5 | Confident | 90.4 | Very high | 38.8 Ų | 38.8 | 53.9 Ų | 53.9 | 24% | 0.238 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 128.3 | -172.4 | -38.4 | 0 | 0 | 0 | 0 | 109.9 | K2657 K2661 V2665 | K2657-T2663 PolarHBondContact N-O 3.25Å; K2657-T2663 PolarHBondContact O-N 3.05Å; K2657-T2663 VanDerWaalsContact O-N 3.07Å; K2661-T2663 PolarHBondContact O-N 3.29Å; K2661-T2663 PolarHBondContact O-OG1 3.06Å; K2661-T2663 VanDerWaalsContact O-OG1 3.08Å; T2663-V2665 HydrophobicContact CG2-CG1 4.38Å; T2663-V2665 PolarHBondContact O-N 3.08Å |
| 2664 | K | 93.7 | Very high | 90.5 | Very high | 118.6 Ų | 118.6 | 48.7 Ų | 48.7 | 52% | 0.516 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 127.8 | 176.7 | -67.7 | -179.2 | -179.8 | 178.7 | 0 | 110.7 | L2656 T2679 E2680 | L2656-K2664 HydrophobicContact CD1-CG 3.92Å; K2664-T2679 VanDerWaalsContact C-OG1 3.29Å; K2664-T2679 WeakPolarHBondContact CB-OG1 3.36Å; K2664-T2679 PolarHBondContact O-N 3.09Å; K2664-T2679 PolarHBondContact O-OG1 3.18Å; K2664-T2679 VanDerWaalsContact O-OG1 3.11Å; K2664-E2680 WeakPolarHBondContact CD-OE1 3.34Å |
| 2665 | V | 95 | Very high | 90.7 | Very high | 3.8 Ų | 3.8 | 45.7 Ų | 45.7 | 2% | 0.023 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 155.5 | -174.4 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | A2655 K2657 T2663 I2667 V2676 T2677 F2724 | A2655-V2665 HydrophobicContact CB-CG2 3.99Å; A2655-V2665 PolarHBondContact N-O 3.15Å; A2655-V2665 VanDerWaalsContact N-O 3.11Å; A2655-V2665 WeakPolarHBondContact O-CG2 3.27Å; A2655-V2665 PolarHBondContact O-N 3.2Å; A2655-V2665 VanDerWaalsContact O-O 3.1Å; K2657-V2665 HydrophobicContact CB-CG1 3.97Å; K2657-V2665 HydrophobicContact CB-CG2 4.09Å; T2663-V2665 HydrophobicContact CG2-CG1 4.38Å; T2663-V2665 PolarHBondContact O-N 3.08Å; V2665-I2667 HydrophobicContact CG2-CG1 4.31Å; V2665-V2676 HydrophobicContact CB-CG1 3.87Å; V2665-V2676 HydrophobicContact CG1-CG1 3.82Å; V2665-V2676 HydrophobicContact CG2-CG1 4.03Å; V2665-T2677 CarbonylContact C-O 3.54Å; V2665-T2677 VanDerWaalsContact CA-O 3.25Å; V2665-T2677 WeakPolarHBondContact CA-O 3.43Å; V2665-T2677 WeakPolarHBondContact CB-O 3.38Å; V2665-F2724 HydrophobicContact CG2-CD1 4.29Å; V2665-F2724 HydrophobicContact CG2-CE1 4.34Å |
| 2666 | A | 95.1 | Very high | 90.7 | Very high | 10.2 Ų | 10.2 | 45.9 Ų | 45.9 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 128.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108 | F2652 N2653 T2677 T2679 | F2652-A2666 CarbonylContact O-C 3.56Å; F2652-A2666 WeakPolarHBondContact O-CA 3.34Å; N2653-A2666 WeakPolarHBondContact OD1-CB 3.3Å; A2666-T2677 PolarHBondContact N-O 3.22Å; A2666-T2677 PolarHBondContact O-N 3.06Å; A2666-T2679 HydrophobicContact CB-CG2 4.46Å |
| 2667 | I | 95.2 | Very high | 90.7 | Very high | 2.2 Ų | 2.2 | 44.6 Ų | 44.6 | 1% | 0.011 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 110.8 | 177.1 | -58.8 | 174.7 | 0 | 0 | 0 | 106.7 | F2652 A2655 V2665 V2669 I2674 Q2675 F2711 F2724 I2732 | F2652-I2667 HydrophobicContact CB-CB 4.44Å; F2652-I2667 WeakPolarHBondContact CD2-O 3.49Å; F2652-I2667 PolarHBondContact N-O 3.27Å; F2652-I2667 PolarHBondContact O-N 3.24Å; A2655-I2667 HydrophobicContact CB-CD1 3.82Å; A2655-I2667 HydrophobicContact CB-CG1 4.07Å; V2665-I2667 HydrophobicContact CG2-CG1 4.31Å; I2667-V2669 HydrophobicContact CG2-CG2 4.15Å; I2667-I2674 HydrophobicContact CG2-CG2 4.01Å; I2667-Q2675 CarbonylContact C-O 3.56Å; I2667-Q2675 WeakPolarHBondContact CA-O 3.39Å; I2667-F2711 HydrophobicContact CD1-CE1 4.15Å; I2667-F2711 HydrophobicContact CD1-CZ 3.93Å; I2667-F2724 HydrophobicContact CD1-CB 4.38Å; I2667-F2724 HydrophobicContact CD1-CD1 3.91Å; I2667-F2724 HydrophobicContact CD1-CE1 4.28Å; I2667-F2724 HydrophobicContact CD1-CG 4.12Å; I2667-I2732 HydrophobicContact CD1-CD1 4.39Å; I2667-I2732 HydrophobicContact CG2-CG2 4.42Å |
| 2668 | K | 94.5 | Very high | 90.7 | Very high | 30.8 Ų | 30.8 | 43.6 Ų | 43.6 | 13% | 0.134 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 128.8 | 172.2 | -37.9 | 177.7 | -177.3 | 167.1 | 0 | 109.2 | E2646 L2649 R2650 V2651 I2674 Q2675 T2677 | E2646-K2668 VanDerWaalsContact CD-NZ 3.25Å; E2646-K2668 IonicContact OE1-NZ 2.91Å; E2646-K2668 PolarHBondContact OE1-NZ 3.05Å; E2646-K2668 IonicContact OE2-NZ 2.74Å; E2646-K2668 PolarHBondContact OE2-NZ 3.08Å; L2649-K2668 HydrophobicContact CD1-CD 3.94Å; L2649-K2668 HydrophobicContact CD2-CB 3.9Å; L2649-K2668 HydrophobicContact CD2-CD 4.07Å; L2649-K2668 HydrophobicContact CG-CD 4.49Å; R2650-K2668 CarbonylContact O-C 3.57Å; R2650-K2668 WeakPolarHBondContact O-CA 3.27Å; V2651-K2668 HydrophobicContact CG1-CG 4.37Å; V2651-K2668 HydrophobicContact CG2-CB 4.3Å; V2651-K2668 HydrophobicContact CG2-CG 4.25Å; K2668-I2674 WeakPolarHBondContact O-CA 3.37Å; K2668-Q2675 HydrophobicContact CB-CB 4.08Å; K2668-Q2675 HydrophobicContact CB-CG 4.12Å; K2668-Q2675 HydrophobicContact CD-CB 4.22Å; K2668-Q2675 HydrophobicContact CD-CG 4.34Å; K2668-Q2675 HydrophobicContact CG-CB 4.21Å; K2668-Q2675 PolarHBondContact N-O 3.1Å; K2668-Q2675 PolarHBondContact O-N 3.18Å; K2668-T2677 WeakPolarHBondContact CE-OG1 3.44Å |
| 2669 | V | 93.7 | Very high | 90.8 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.03 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 108.2 | 179.1 | 179.7 | 0 | 0 | 0 | 0 | 108 | R2650 F2652 I2667 A2735 I2736 I2739 | R2650-V2669 HydrophobicContact CB-CB 4.35Å; R2650-V2669 PolarHBondContact N-O 3.24Å; R2650-V2669 PolarHBondContact O-N 3.12Å; F2652-V2669 HydrophobicContact CD2-CG2 4.22Å; F2652-V2669 HydrophobicContact CE2-CB 4.4Å; F2652-V2669 HydrophobicContact CE2-CG2 3.96Å; I2667-V2669 HydrophobicContact CG2-CG2 4.15Å; V2669-A2735 HydrophobicContact CB-CB 4.47Å; V2669-A2735 HydrophobicContact CG1-CB 4.03Å; V2669-A2735 HydrophobicContact CG2-CB 4.35Å; V2669-I2736 HydrophobicContact CG2-CG1 4.4Å; V2669-I2739 HydrophobicContact CG1-CD1 3.26Å; V2669-I2739 HydrophobicContact CG1-CG1 3.98Å |
| 2670 | C | 90.2 | Very high | 91.2 | Very high | 3.6 Ų | 3.6 | 45.6 Ų | 45.6 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | trans | -94.9 | 172 | 178.5 | -12.4 | 0 | 0 | 0 | 0 | 110.3 | L2645 L2649 N2672 A2673 Q2675 I2739 | L2645-C2670 PolarHBondContact O-SG 3.11Å; L2649-C2670 HydrophobicContact CD2-CB 4Å; L2649-C2670 VanDerWaalsContact CD2-SG 3.53Å; L2649-C2670 WeakPolarHBondContact CD2-SG 3.31Å; C2670-N2672 VanDerWaalsContact C-N 3.33Å; C2670-N2672 PolarHBondContact O-N 3.13Å; C2670-A2673 WeakPolarHBondContact CA-O 3.24Å; C2670-A2673 HydrophobicContact CB-CB 4.43Å; C2670-A2673 VanDerWaalsContact CB-O 3.3Å; C2670-A2673 WeakPolarHBondContact CB-O 3.2Å; C2670-A2673 PolarHBondContact N-O 3.06Å; C2670-A2673 PolarHBondContact O-N 3.36Å; C2670-A2673 VanDerWaalsContact O-O 3.06Å; C2670-A2673 PolarHBondContact SG-N 3.27Å; C2670-A2673 PolarHBondContact SG-O 2.97Å; C2670-Q2675 PolarHBondContact SG-NE2 3.28Å; C2670-I2739 WeakPolarHBondContact O-CD1 3.33Å | ||
| 2671 | T | 87.9 | Confident | 91.8 | Very high | 42.4 Ų | 42.4 | 42.6 Ų | 42.6 | 26% | 0.26 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -57.9 | -30.2 | 179.6 | 55.8 | 0 | 0 | 0 | 0 | 114.7 | D2648 I2739 R2742 | D2648-T2671 HydrophobicContact CB-CG2 3.84Å; T2671-I2739 VanDerWaalsContact O-CG2 3.32Å; T2671-I2739 WeakPolarHBondContact O-CG2 3.32Å; T2671-R2742 VanDerWaalsContact O-CZ 3.25Å; T2671-R2742 PolarHBondContact O-NH1 3.33Å; T2671-R2742 PolarHBondContact O-NH2 3.09Å |
| 2672 | N | 88.6 | Confident | 92.3 | Very high | 79.6 Ų | 79.6 | 36.7 Ų | 36.7 | 43% | 0.426 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -126.1 | -2.4 | -172.9 | -62.4 | -21.2 | 0 | 0 | 0 | 114.5 | C2670 A2697 R2742 | C2670-N2672 VanDerWaalsContact C-N 3.33Å; C2670-N2672 PolarHBondContact O-N 3.13Å; N2672-A2697 WeakPolarHBondContact O-CB 3.44Å; N2672-A2697 PolarHBondContact O-N 3.3Å; N2672-A2697 VanDerWaalsContact O-N 3.1Å; N2672-R2742 PolarHBondContact OD1-NH2 3.25Å |
| 2673 | A | 93 | Very high | 92.4 | Very high | 0.4 Ų | 0.4 | 39.8 Ų | 39.8 | 0% | 0.003 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 162.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L2645 C2670 V2694 Y2695 Y2696 | L2645-A2673 HydrophobicContact CD2-CB 3.65Å; C2670-A2673 WeakPolarHBondContact CA-O 3.24Å; C2670-A2673 HydrophobicContact CB-CB 4.43Å; C2670-A2673 VanDerWaalsContact CB-O 3.3Å; C2670-A2673 WeakPolarHBondContact CB-O 3.2Å; C2670-A2673 PolarHBondContact N-O 3.06Å; C2670-A2673 PolarHBondContact O-N 3.36Å; C2670-A2673 VanDerWaalsContact O-O 3.06Å; C2670-A2673 PolarHBondContact SG-N 3.27Å; C2670-A2673 PolarHBondContact SG-O 2.97Å; A2673-V2694 HydrophobicContact CB-CG1 4.39Å; A2673-Y2695 CarbonylContact C-O 3.55Å; A2673-Y2695 VanDerWaalsContact CA-O 3.27Å; A2673-Y2695 WeakPolarHBondContact CA-O 3.4Å; A2673-Y2695 WeakPolarHBondContact CB-O 3.39Å; A2673-Y2696 HydrophobicContact CB-CD1 3.94Å; A2673-Y2696 HydrophobicContact CB-CE1 4.34Å |
| 2674 | I | 94 | Very high | 92.5 | Very high | 2.4 Ų | 2.4 | 38.1 Ų | 38.1 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 137.7 | 166.7 | -55.4 | 168.2 | 0 | 0 | 0 | 107.9 | I2667 K2668 V2676 V2694 Y2695 I2700 L2713 I2736 I2739 | I2667-I2674 HydrophobicContact CG2-CG2 4.01Å; K2668-I2674 WeakPolarHBondContact O-CA 3.37Å; I2674-V2676 HydrophobicContact CG2-CG2 4.21Å; I2674-V2694 WeakPolarHBondContact O-CA 3.4Å; I2674-Y2695 PolarHBondContact N-O 3.22Å; I2674-Y2695 PolarHBondContact O-N 3.14Å; I2674-I2700 HydrophobicContact CD1-CD1 3.58Å; I2674-I2700 VanDerWaalsContact CD1-CD1 3.43Å; I2674-I2700 HydrophobicContact CD1-CG1 4.43Å; I2674-I2700 HydrophobicContact CG1-CD1 4.26Å; I2674-L2713 HydrophobicContact CD1-CD1 4.15Å; I2674-L2713 HydrophobicContact CD1-CD2 3.96Å; I2674-I2736 HydrophobicContact CD1-CB 4.36Å; I2674-I2736 HydrophobicContact CD1-CD1 3.72Å; I2674-I2736 HydrophobicContact CD1-CG1 3.66Å; I2674-I2736 HydrophobicContact CD1-CG2 3.83Å; I2674-I2736 HydrophobicContact CG1-CD1 4.48Å; I2674-I2736 HydrophobicContact CG1-CG1 4.2Å; I2674-I2739 HydrophobicContact CG1-CD1 3.99Å |
| 2675 | Q | 94.1 | Very high | 92.3 | Very high | 0.2 Ų | 0.2 | 33.3 Ų | 33.3 | 0% | 0.001 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134.1 | 165.2 | -45.5 | -174.9 | 28.8 | 0 | 0 | 109.7 | L2645 E2646 I2667 K2668 C2670 N2692 D2693 V2694 | L2645-Q2675 PolarHBondContact O-NE2 3.33Å; E2646-Q2675 PolarHBondContact OE1-NE2 3.05Å; E2646-Q2675 PolarHBondContact OE1-OE1 2.83Å; E2646-Q2675 PolarHBondContact OE2-NE2 2.94Å; I2667-Q2675 CarbonylContact C-O 3.56Å; I2667-Q2675 WeakPolarHBondContact CA-O 3.39Å; K2668-Q2675 HydrophobicContact CB-CB 4.08Å; K2668-Q2675 HydrophobicContact CB-CG 4.12Å; K2668-Q2675 HydrophobicContact CD-CB 4.22Å; K2668-Q2675 HydrophobicContact CD-CG 4.34Å; K2668-Q2675 HydrophobicContact CG-CB 4.21Å; K2668-Q2675 PolarHBondContact N-O 3.1Å; K2668-Q2675 PolarHBondContact O-N 3.18Å; C2670-Q2675 PolarHBondContact SG-NE2 3.28Å; Q2675-N2692 WeakPolarHBondContact CB-OD1 3.37Å; Q2675-N2692 PolarHBondContact OE1-ND2 3.13Å; Q2675-D2693 CarbonylContact C-O 3.54Å; Q2675-D2693 VanDerWaalsContact CA-O 3.29Å; Q2675-D2693 WeakPolarHBondContact CA-O 3.41Å; Q2675-V2694 HydrophobicContact CB-CG2 4.26Å; Q2675-V2694 HydrophobicContact CG-CG1 4.49Å; Q2675-V2694 HydrophobicContact CG-CG2 4.22Å |
| 2676 | V | 94.2 | Very high | 91.9 | Very high | 4.2 Ų | 4.2 | 34.8 Ų | 34.8 | 3% | 0.025 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 95 | 173.6 | -178 | 0 | 0 | 0 | 0 | 107.5 | K2657 V2665 I2674 D2693 Y2695 F2724 | K2657-V2676 HydrophobicContact CD-CG1 4.32Å; V2665-V2676 HydrophobicContact CB-CG1 3.87Å; V2665-V2676 HydrophobicContact CG1-CG1 3.82Å; V2665-V2676 HydrophobicContact CG2-CG1 4.03Å; I2674-V2676 HydrophobicContact CG2-CG2 4.21Å; V2676-D2693 HydrophobicContact CB-CB 4.35Å; V2676-D2693 PolarHBondContact N-O 3.03Å; V2676-D2693 PolarHBondContact O-N 3.4Å; V2676-Y2695 HydrophobicContact CB-CE2 4.49Å; V2676-Y2695 HydrophobicContact CG2-CD2 4.45Å; V2676-Y2695 HydrophobicContact CG2-CE2 4.26Å; V2676-F2724 HydrophobicContact CG1-CE1 3.9Å; V2676-F2724 HydrophobicContact CG1-CZ 4.36Å; V2676-F2724 HydrophobicContact CG2-CE1 4.32Å; V2676-F2724 HydrophobicContact CG2-CZ 4.09Å |
| 2677 | T | 94.1 | Very high | 91.7 | Very high | 21.4 Ų | 21.4 | 36.8 Ų | 36.8 | 13% | 0.131 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 125 | -176.4 | -45 | 0 | 0 | 0 | 0 | 110.3 | V2665 A2666 K2668 T2679 I2690 L2691 N2692 | V2665-T2677 CarbonylContact C-O 3.54Å; V2665-T2677 VanDerWaalsContact CA-O 3.25Å; V2665-T2677 WeakPolarHBondContact CA-O 3.43Å; V2665-T2677 WeakPolarHBondContact CB-O 3.38Å; A2666-T2677 PolarHBondContact N-O 3.22Å; A2666-T2677 PolarHBondContact O-N 3.06Å; K2668-T2677 WeakPolarHBondContact CE-OG1 3.44Å; T2677-T2679 PolarHBondContact O-N 3.12Å; T2677-I2690 HydrophobicContact CG2-CG2 3.56Å; T2677-I2690 VanDerWaalsContact CG2-CG2 3.49Å; T2677-L2691 CarbonylContact C-O 3.51Å; T2677-L2691 WeakPolarHBondContact CA-O 3.44Å; T2677-N2692 WeakPolarHBondContact CA-OD1 3.47Å; T2677-N2692 WeakPolarHBondContact CB-OD1 3.42Å; T2677-N2692 HydrophobicContact CG2-CB 4.42Å; T2677-N2692 PolarHBondContact N-OD1 3.18Å; T2677-N2692 PolarHBondContact OG1-OD1 3.11Å |
| 2678 | S | 93.4 | Very high | 91.6 | Very high | 9.2 Ų | 9.2 | 40.1 Ų | 40.1 | 6% | 0.064 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 128.8 | 175.5 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | E2680 I2690 L2691 | S2678-E2680 VanDerWaalsContact C-N 3.31Å; S2678-E2680 PolarHBondContact OG-N 3.19Å; S2678-E2680 PolarHBondContact OG-O 3.07Å; S2678-E2680 VanDerWaalsContact OG-O 3.13Å; S2678-I2690 WeakPolarHBondContact O-CG2 3.38Å; S2678-L2691 PolarHBondContact N-O 3.16Å; S2678-L2691 PolarHBondContact OG-N 3.01Å |
| 2679 | T | 91.3 | Very high | 91.5 | Very high | 75.6 Ų | 75.6 | 38.9 Ų | 38.9 | 46% | 0.464 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -78.3 | -22.1 | 173.4 | 61.9 | 0 | 0 | 0 | 0 | 112 | K2664 A2666 T2677 | K2664-T2679 VanDerWaalsContact C-OG1 3.29Å; K2664-T2679 WeakPolarHBondContact CB-OG1 3.36Å; K2664-T2679 PolarHBondContact O-N 3.09Å; K2664-T2679 PolarHBondContact O-OG1 3.18Å; K2664-T2679 VanDerWaalsContact O-OG1 3.11Å; A2666-T2679 HydrophobicContact CB-CG2 4.46Å; T2677-T2679 PolarHBondContact O-N 3.12Å |
| 2680 | E | 90.3 | Very high | 91.5 | Very high | 89.2 Ų | 89.2 | 41 Ų | 41 | 42% | 0.417 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -94.1 | 135 | 176.9 | -66.4 | -179 | -165.8 | 0 | 0 | 110.9 | K2664 S2678 T2682 | K2664-E2680 WeakPolarHBondContact CD-OE1 3.34Å; S2678-E2680 VanDerWaalsContact C-N 3.31Å; S2678-E2680 PolarHBondContact OG-N 3.19Å; S2678-E2680 PolarHBondContact OG-O 3.07Å; S2678-E2680 VanDerWaalsContact OG-O 3.13Å; E2680-T2682 PolarHBondContact O-N 3.17Å |
| 2681 | K | 91.1 | Very high | 91.7 | Very high | 120.6 Ų | 120.6 | 41.2 Ų | 41.2 | 52% | 0.524 | 22% | 0.224 | S | C | . | . | trans | -79.1 | 125.6 | 177.2 | -64.1 | -159.1 | 177.9 | -153.8 | 0 | 110.7 | D2622 V2689 I2690 | D2622-K2681 IonicContact OD1-NZ 3.38Å; D2622-K2681 PolarHBondContact OD1-NZ 3.36Å; K2681-V2689 CarbonylContact C-O 3.55Å; K2681-V2689 VanDerWaalsContact CA-O 3.3Å; K2681-V2689 WeakPolarHBondContact CA-O 3.38Å; K2681-I2690 HydrophobicContact CD-CG1 4.35Å; K2681-I2690 HydrophobicContact CG-CG1 3.96Å | ||
| 2682 | T | 91 | Very high | 92 | Very high | 28.6 Ų | 28.6 | 39.6 Ų | 39.6 | 18% | 0.175 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 158.7 | 177.6 | 75 | 0 | 0 | 0 | 0 | 111.2 | E2680 S2688 V2689 L2691 | E2680-T2682 PolarHBondContact O-N 3.17Å; T2682-S2688 CarbonylContact O-C 3.57Å; T2682-S2688 WeakPolarHBondContact O-CA 3.36Å; T2682-V2689 PolarHBondContact N-O 3.1Å; T2682-V2689 PolarHBondContact O-N 3.1Å; T2682-L2691 HydrophobicContact CG2-CD1 3.99Å; T2682-L2691 HydrophobicContact CG2-CG 4.36Å; T2682-L2691 WeakPolarHBondContact OG1-CD1 3.4Å; T2682-L2691 WeakPolarHBondContact OG1-CG 3.41Å |
| 2683 | K | 91.3 | Very high | 92.2 | Very high | 148.6 Ų | 148.6 | 36.5 Ų | 36.5 | 65% | 0.646 | 20% | 0.197 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 121.6 | 176.8 | -73.3 | -140.5 | 173.3 | -175.4 | 0 | 111.5 | G2686 H2687 S2688 | K2683-G2686 WeakPolarHBondContact CD-O 3.44Å; K2683-G2686 PolarHBondContact NZ-O 3.1Å; K2683-H2687 CarbonylContact C-O 3.57Å; K2683-H2687 VanDerWaalsContact CA-O 3.29Å; K2683-H2687 WeakPolarHBondContact CA-O 3.38Å; K2683-S2688 WeakPolarHBondContact CE-OG 3.31Å |
| 2684 | V | 91 | Very high | 92.2 | Very high | 3.4 Ų | 3.4 | 36.8 Ų | 36.8 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 125.9 | 171 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | R2599 F2620 G2686 H2687 V2689 L2691 | R2599-V2684 HydrophobicContact CB-CG2 3.94Å; R2599-V2684 HydrophobicContact CG-CG2 3.97Å; F2620-V2684 HydrophobicContact CE1-CB 4.45Å; F2620-V2684 HydrophobicContact CE1-CG1 4.25Å; F2620-V2684 HydrophobicContact CZ-CB 4.4Å; F2620-V2684 HydrophobicContact CZ-CG1 4.12Å; V2684-G2686 PolarHBondContact O-N 3.04Å; V2684-H2687 PolarHBondContact N-O 3.05Å; V2684-H2687 PolarHBondContact O-N 3.15Å; V2684-V2689 HydrophobicContact CB-CG1 4.5Å; V2684-V2689 HydrophobicContact CB-CG2 3.89Å; V2684-V2689 HydrophobicContact CG2-CB 4.42Å; V2684-V2689 HydrophobicContact CG2-CG2 3.99Å; V2684-V2689 VanDerWaalsContact CG2-CG2 3.49Å; V2684-L2691 HydrophobicContact CG2-CD2 3.99Å |
| 2685 | L | 88.7 | Confident | 92.1 | Very high | 18.2 Ų | 18.2 | 38 Ų | 38 | 10% | 0.095 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 30.8 | -175.3 | -59.8 | -178.7 | 0 | 0 | 0 | 114.5 | T2602 F2609 I2612 K2613 G2614 L2618 H2687 | T2602-L2685 HydrophobicContact CG2-CD2 4.05Å; T2602-L2685 HydrophobicContact CG2-CG 4.3Å; F2609-L2685 HydrophobicContact CB-CD2 3.53Å; F2609-L2685 VanDerWaalsContact CB-CD2 3.49Å; F2609-L2685 HydrophobicContact CD1-CD2 4.41Å; F2609-L2685 HydrophobicContact CD2-CD2 4.45Å; F2609-L2685 HydrophobicContact CG-CD2 4Å; I2612-L2685 HydrophobicContact CD1-CD1 4.16Å; K2613-L2685 CarbonylContact C-O 3.54Å; K2613-L2685 WeakPolarHBondContact CA-O 3.31Å; G2614-L2685 PolarHBondContact N-O 3.07Å; L2618-L2685 HydrophobicContact CD1-CB 4.39Å; L2618-L2685 HydrophobicContact CD1-CD1 3.91Å; L2685-H2687 VanDerWaalsContact C-N 3.29Å; L2685-H2687 PolarHBondContact O-N 2.98Å |
| 2686 | G | 87.4 | Confident | 92 | Very high | 35.2 Ų | 35.2 | 40.6 Ų | 40.6 | 36% | 0.363 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | -17.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | K2683 V2684 | K2683-G2686 WeakPolarHBondContact CD-O 3.44Å; K2683-G2686 PolarHBondContact NZ-O 3.1Å; V2684-G2686 PolarHBondContact O-N 3.04Å |
| 2687 | H | 91.1 | Very high | 91.8 | Very high | 51.8 Ų | 51.8 | 40.5 Ų | 40.5 | 24% | 0.24 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 152.1 | 175.8 | -68.6 | -76.7 | 0 | 0 | 0 | 111.5 | S2615 F2620 K2683 V2684 L2685 V2689 | S2615-H2687 PolarHBondContact O-CE1 3.29Å; S2615-H2687 PolarHBondContact O-NE2 3.04Å; F2620-H2687 HydrophobicContact CD2-CB 3.89Å; F2620-H2687 HydrophobicContact CE2-CB 3.75Å; F2620-H2687 AromaticContact CE2-CD2 3.79Å; F2620-H2687 AromaticContact CE2-CG 3.93Å; K2683-H2687 CarbonylContact C-O 3.57Å; K2683-H2687 VanDerWaalsContact CA-O 3.29Å; K2683-H2687 WeakPolarHBondContact CA-O 3.38Å; V2684-H2687 PolarHBondContact N-O 3.05Å; V2684-H2687 PolarHBondContact O-N 3.15Å; L2685-H2687 VanDerWaalsContact C-N 3.29Å; L2685-H2687 PolarHBondContact O-N 2.98Å; H2687-V2689 HydrophobicContact CB-CG1 4.12Å; H2687-V2689 HydrophobicContact CB-CG2 4.12Å |
| 2688 | S | 92.6 | Very high | 91.5 | Very high | 71.6 Ų | 71.6 | 42.2 Ų | 42.2 | 50% | 0.501 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 110.2 | 177.2 | -66.3 | 0 | 0 | 0 | 0 | 110.4 | T2682 K2683 | T2682-S2688 CarbonylContact O-C 3.57Å; T2682-S2688 WeakPolarHBondContact O-CA 3.36Å; K2683-S2688 WeakPolarHBondContact CE-OG 3.31Å |
| 2689 | V | 93.1 | Very high | 91.2 | Very high | 4.8 Ų | 4.8 | 43.5 Ų | 43.5 | 3% | 0.029 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 146.6 | -165.8 | -120.1 | 0 | 0 | 0 | 0 | 111.3 | C2594 F2620 K2681 T2682 V2684 H2687 L2691 | C2594-V2689 HydrophobicContact CB-CG1 4.5Å; F2620-V2689 HydrophobicContact CB-CG1 3.74Å; F2620-V2689 HydrophobicContact CB-CG2 4.29Å; F2620-V2689 HydrophobicContact CD1-CB 4.28Å; F2620-V2689 HydrophobicContact CD1-CG1 3.5Å; F2620-V2689 VanDerWaalsContact CD1-CG1 3.45Å; F2620-V2689 HydrophobicContact CD1-CG2 3.83Å; F2620-V2689 HydrophobicContact CD2-CG1 3.64Å; F2620-V2689 HydrophobicContact CD2-CG2 3.8Å; F2620-V2689 HydrophobicContact CE1-CG1 4.1Å; F2620-V2689 HydrophobicContact CE1-CG2 4.02Å; F2620-V2689 HydrophobicContact CE2-CG1 4.04Å; F2620-V2689 HydrophobicContact CE2-CG2 4.01Å; F2620-V2689 HydrophobicContact CG-CB 4.39Å; F2620-V2689 HydrophobicContact CG-CG1 3.56Å; F2620-V2689 HydrophobicContact CG-CG2 3.7Å; F2620-V2689 HydrophobicContact CZ-CG1 4.15Å; F2620-V2689 HydrophobicContact CZ-CG2 4.1Å; K2681-V2689 CarbonylContact C-O 3.55Å; K2681-V2689 VanDerWaalsContact CA-O 3.3Å; K2681-V2689 WeakPolarHBondContact CA-O 3.38Å; T2682-V2689 PolarHBondContact N-O 3.1Å; T2682-V2689 PolarHBondContact O-N 3.1Å; V2684-V2689 HydrophobicContact CB-CG1 4.5Å; V2684-V2689 HydrophobicContact CB-CG2 3.89Å; V2684-V2689 HydrophobicContact CG2-CB 4.42Å; V2684-V2689 HydrophobicContact CG2-CG2 3.99Å; V2684-V2689 VanDerWaalsContact CG2-CG2 3.49Å; H2687-V2689 HydrophobicContact CB-CG1 4.12Å; H2687-V2689 HydrophobicContact CB-CG2 4.12Å; V2689-L2691 HydrophobicContact CG2-CD2 4.1Å |
| 2690 | I | 93.2 | Very high | 91.1 | Very high | 49.6 Ų | 49.6 | 40.2 Ų | 40.2 | 25% | 0.254 | 21% | 0.211 | S | C | . | . | trans | -74.4 | 135.9 | 164.9 | -70.6 | 174.4 | 0 | 0 | 0 | 108.5 | D2622 T2677 S2678 K2681 | D2622-I2690 HydrophobicContact CB-CD1 4.36Å; T2677-I2690 HydrophobicContact CG2-CG2 3.56Å; T2677-I2690 VanDerWaalsContact CG2-CG2 3.49Å; S2678-I2690 WeakPolarHBondContact O-CG2 3.38Å; K2681-I2690 HydrophobicContact CD-CG1 4.35Å; K2681-I2690 HydrophobicContact CG-CG1 3.96Å | ||
| 2691 | L | 94 | Very high | 90.8 | Very high | 7.8 Ų | 7.8 | 39.6 Ų | 39.6 | 4% | 0.041 | 21% | 0.208 | C | C | . | . | trans | -96.1 | 143.2 | 171.9 | -58.9 | 177.7 | 0 | 0 | 0 | 109.9 | C2594 R2599 T2677 S2678 T2682 V2684 V2689 | C2594-L2691 CarbonylContact O-C 3.55Å; C2594-L2691 VanDerWaalsContact O-CA 3.3Å; C2594-L2691 WeakPolarHBondContact O-CA 3.33Å; R2599-L2691 HydrophobicContact CB-CD2 4.29Å; R2599-L2691 VanDerWaalsContact NH1-CD1 3.32Å; T2677-L2691 CarbonylContact C-O 3.51Å; T2677-L2691 WeakPolarHBondContact CA-O 3.44Å; S2678-L2691 PolarHBondContact N-O 3.16Å; S2678-L2691 PolarHBondContact OG-N 3.01Å; T2682-L2691 HydrophobicContact CG2-CD1 3.99Å; T2682-L2691 HydrophobicContact CG2-CG 4.36Å; T2682-L2691 WeakPolarHBondContact OG1-CD1 3.4Å; T2682-L2691 WeakPolarHBondContact OG1-CG 3.41Å; V2684-L2691 HydrophobicContact CG2-CD2 3.99Å; V2689-L2691 HydrophobicContact CG2-CD2 4.1Å | ||
| 2692 | N | 94.2 | Very high | 90.4 | Very high | 10.2 Ų | 10.2 | 38.1 Ų | 38.1 | 6% | 0.055 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 104.9 | 175 | -167.1 | 34.2 | 0 | 0 | 0 | 110.6 | N2593 C2594 N2595 Q2675 T2677 V2694 | N2593-N2692 VanDerWaalsContact OD1-CB 3.32Å; N2593-N2692 WeakPolarHBondContact OD1-CB 3.44Å; N2593-N2692 PolarHBondContact OD1-ND2 2.98Å; C2594-N2692 PolarHBondContact O-N 3.13Å; N2595-N2692 VanDerWaalsContact CB-O 3.26Å; N2595-N2692 WeakPolarHBondContact CB-O 3.42Å; Q2675-N2692 WeakPolarHBondContact CB-OD1 3.37Å; Q2675-N2692 PolarHBondContact OE1-ND2 3.13Å; T2677-N2692 WeakPolarHBondContact CA-OD1 3.47Å; T2677-N2692 WeakPolarHBondContact CB-OD1 3.42Å; T2677-N2692 HydrophobicContact CG2-CB 4.42Å; T2677-N2692 PolarHBondContact N-OD1 3.18Å; T2677-N2692 PolarHBondContact OG1-OD1 3.11Å; N2692-V2694 PolarHBondContact O-N 2.94Å |
| 2693 | D | 92.9 | Very high | 90.2 | Very high | 13.2 Ų | 13.2 | 37.8 Ų | 37.8 | 7% | 0.071 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 119.6 | 176.8 | -64.4 | -32.6 | 0 | 0 | 0 | 109.1 | N2595 S2596 K2657 Q2675 V2676 Y2695 | N2595-D2693 WeakPolarHBondContact CB-OD1 3.41Å; S2596-D2693 WeakPolarHBondContact CB-OD1 3.38Å; S2596-D2693 WeakPolarHBondContact CB-OD2 3.39Å; S2596-D2693 PolarHBondContact N-OD1 3.09Å; S2596-D2693 VanDerWaalsContact OG-CG 3.28Å; S2596-D2693 PolarHBondContact OG-OD1 3.05Å; S2596-D2693 VanDerWaalsContact OG-OD1 3.13Å; S2596-D2693 PolarHBondContact OG-OD2 3.12Å; K2657-D2693 IonicContact NZ-OD2 3.03Å; K2657-D2693 PolarHBondContact NZ-OD2 2.83Å; Q2675-D2693 CarbonylContact C-O 3.54Å; Q2675-D2693 VanDerWaalsContact CA-O 3.29Å; Q2675-D2693 WeakPolarHBondContact CA-O 3.41Å; V2676-D2693 HydrophobicContact CB-CB 4.35Å; V2676-D2693 PolarHBondContact N-O 3.03Å; V2676-D2693 PolarHBondContact O-N 3.4Å; D2693-Y2695 HydrophobicContact CB-CD2 4.49Å; D2693-Y2695 HydrophobicContact CB-CE2 3.73Å; D2693-Y2695 WeakPolarHBondContact CB-OH 3.45Å |
| 2694 | V | 93.4 | Very high | 90 | Very high | 7.2 Ų | 7.2 | 33 Ų | 33 | 4% | 0.044 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 132.2 | -179.8 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | H2559 L2645 A2673 I2674 Q2675 N2692 | H2559-V2694 PolarHBondContact CD2-O 2.94Å; H2559-V2694 VanDerWaalsContact CD2-O 3.32Å; L2645-V2694 HydrophobicContact CD1-CG1 4.18Å; L2645-V2694 HydrophobicContact CD2-CG1 4.42Å; A2673-V2694 HydrophobicContact CB-CG1 4.39Å; I2674-V2694 WeakPolarHBondContact O-CA 3.4Å; Q2675-V2694 HydrophobicContact CB-CG2 4.26Å; Q2675-V2694 HydrophobicContact CG-CG1 4.49Å; Q2675-V2694 HydrophobicContact CG-CG2 4.22Å; N2692-V2694 PolarHBondContact O-N 2.94Å |
| 2695 | Y | 92.6 | Very high | 89.8 | Confident | 27.2 Ų | 27.2 | 36.1 Ų | 36.1 | 11% | 0.107 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 127.6 | 179.8 | -55.9 | -78.3 | 0 | 0 | 0 | 110 | A2673 I2674 V2676 D2693 E2699 I2715 D2718 L2722 | A2673-Y2695 CarbonylContact C-O 3.55Å; A2673-Y2695 VanDerWaalsContact CA-O 3.27Å; A2673-Y2695 WeakPolarHBondContact CA-O 3.4Å; A2673-Y2695 WeakPolarHBondContact CB-O 3.39Å; I2674-Y2695 PolarHBondContact N-O 3.22Å; I2674-Y2695 PolarHBondContact O-N 3.14Å; V2676-Y2695 HydrophobicContact CB-CE2 4.49Å; V2676-Y2695 HydrophobicContact CG2-CD2 4.45Å; V2676-Y2695 HydrophobicContact CG2-CE2 4.26Å; D2693-Y2695 HydrophobicContact CB-CD2 4.49Å; D2693-Y2695 HydrophobicContact CB-CE2 3.73Å; D2693-Y2695 WeakPolarHBondContact CB-OH 3.45Å; Y2695-E2699 WeakPolarHBondContact CA-OE2 3.26Å; Y2695-I2715 HydrophobicContact CD1-CD1 3.6Å; Y2695-I2715 VanDerWaalsContact CD1-CD1 3.45Å; Y2695-I2715 HydrophobicContact CD1-CG1 4.13Å; Y2695-I2715 HydrophobicContact CD1-CG2 3.84Å; Y2695-I2715 HydrophobicContact CD2-CD1 3.85Å; Y2695-I2715 HydrophobicContact CE1-CD1 3.56Å; Y2695-I2715 VanDerWaalsContact CE1-CD1 3.42Å; Y2695-I2715 HydrophobicContact CE1-CG1 4.21Å; Y2695-I2715 HydrophobicContact CE1-CG2 4.17Å; Y2695-I2715 HydrophobicContact CE2-CD1 3.99Å; Y2695-I2715 HydrophobicContact CG-CD1 3.7Å; Y2695-D2718 PolarHBondContact OH-OD2 3.05Å; Y2695-D2718 VanDerWaalsContact OH-OD2 3.13Å; Y2695-L2722 HydrophobicContact CE1-CD1 4.44Å; Y2695-L2722 HydrophobicContact CE2-CD1 4.1Å; Y2695-L2722 VanDerWaalsContact OH-CD1 3.31Å; Y2695-L2722 WeakPolarHBondContact OH-CD1 3.35Å |
| 2696 | Y | 91.9 | Very high | 89.6 | Confident | 54.2 Ų | 54.2 | 39.1 Ų | 39.1 | 21% | 0.213 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 155.9 | -180 | -75.7 | -66.9 | 0 | 0 | 0 | 112.3 | H2559 L2645 A2673 S2698 E2699 | H2559-Y2696 HydrophobicContact CB-CD2 4.44Å; H2559-Y2696 HydrophobicContact CB-CE2 3.75Å; H2559-Y2696 AromaticContact CD2-CD2 3.56Å; H2559-Y2696 VanDerWaalsContact CD2-CD2 3.41Å; H2559-Y2696 WeakPolarHBondContact CD2-CD2 3.35Å; H2559-Y2696 AromaticContact CD2-CE2 3.71Å; H2559-Y2696 AromaticContact CE1-CD2 3.65Å; H2559-Y2696 AromaticContact CE1-CE2 3.91Å; H2559-Y2696 AromaticContact CG-CD2 3.69Å; H2559-Y2696 AromaticContact CG-CE2 3.36Å; H2559-Y2696 AromaticContact ND1-CD2 3.73Å; H2559-Y2696 AromaticContact ND1-CE2 3.48Å; H2559-Y2696 WeakPolarHBondContact ND1-CE2 3.42Å; H2559-Y2696 AromaticContact NE2-CD2 3.55Å; H2559-Y2696 WeakPolarHBondContact NE2-CD2 3.33Å; H2559-Y2696 AromaticContact NE2-CE2 3.95Å; L2645-Y2696 HydrophobicContact CD2-CE1 4.26Å; A2673-Y2696 HydrophobicContact CB-CD1 3.94Å; A2673-Y2696 HydrophobicContact CB-CE1 4.34Å; Y2696-S2698 PolarHBondContact O-N 3.2Å; Y2696-S2698 VanDerWaalsContact O-N 3.1Å; Y2696-E2699 PolarHBondContact N-OE2 3.23Å; Y2696-E2699 WeakPolarHBondContact O-CB 3.36Å; Y2696-E2699 PolarHBondContact O-N 2.97Å |
| 2697 | A | 89.5 | Confident | 89.5 | Confident | 3 Ų | 3 | 41 Ų | 41 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -55.3 | -28.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N2672 E2699 I2739 W2743 | N2672-A2697 WeakPolarHBondContact O-CB 3.44Å; N2672-A2697 PolarHBondContact O-N 3.3Å; N2672-A2697 VanDerWaalsContact O-N 3.1Å; A2697-E2699 VanDerWaalsContact C-N 3.27Å; A2697-E2699 PolarHBondContact O-N 3.17Å; A2697-I2739 HydrophobicContact CB-CB 4.38Å; A2697-I2739 HydrophobicContact CB-CG2 3.76Å; A2697-W2743 HydrophobicContact CB-CB 3.75Å; A2697-W2743 HydrophobicContact CB-CD2 4.46Å; A2697-W2743 HydrophobicContact CB-CG 3.86Å |
| 2698 | S | 87.6 | Confident | 89.2 | Confident | 57.2 Ų | 57.2 | 44.3 Ų | 44.3 | 40% | 0.4 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -70.6 | -14.5 | 175.9 | 54.4 | 0 | 0 | 0 | 0 | 114.9 | Y2696 L2716 W2743 | Y2696-S2698 PolarHBondContact O-N 3.2Å; Y2696-S2698 VanDerWaalsContact O-N 3.1Å; S2698-L2716 WeakPolarHBondContact O-CD1 3.01Å; S2698-W2743 VanDerWaalsContact CB-CZ2 3.41Å |
| 2699 | E | 88.1 | Confident | 89.1 | Confident | 35.8 Ų | 35.8 | 44.7 Ų | 44.7 | 17% | 0.167 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -101.1 | -5.5 | -175.1 | -58.9 | 176.9 | 130 | 0 | 0 | 112.6 | H2559 Y2695 Y2696 A2697 E2701 I2715 L2716 | H2559-E2699 IonicContact CD2-OE2 2.96Å; H2559-E2699 IonicContact CE1-OE1 2.94Å; H2559-E2699 PolarHBondContact CE1-OE1 2.83Å; H2559-E2699 VanDerWaalsContact CE1-OE1 3.28Å; H2559-E2699 IonicContact CE1-OE2 3.14Å; H2559-E2699 IonicContact NE2-OE1 3.24Å; H2559-E2699 PolarHBondContact NE2-OE1 3.23Å; H2559-E2699 IonicContact NE2-OE2 2.83Å; H2559-E2699 PolarHBondContact NE2-OE2 3.3Å; Y2695-E2699 WeakPolarHBondContact CA-OE2 3.26Å; Y2696-E2699 PolarHBondContact N-OE2 3.23Å; Y2696-E2699 WeakPolarHBondContact O-CB 3.36Å; Y2696-E2699 PolarHBondContact O-N 2.97Å; A2697-E2699 VanDerWaalsContact C-N 3.27Å; A2697-E2699 PolarHBondContact O-N 3.17Å; E2699-E2701 PolarHBondContact O-N 3.04Å; E2699-I2715 HydrophobicContact CB-CG2 4.15Å; E2699-I2715 CarbonylContact O-C 3.59Å; E2699-I2715 WeakPolarHBondContact O-CA 3.28Å; E2699-L2716 HydrophobicContact CB-CB 4.39Å; E2699-L2716 WeakPolarHBondContact O-CB 3.32Å; E2699-L2716 PolarHBondContact O-N 3.17Å |
| 2700 | I | 88.9 | Confident | 89.1 | Confident | 7.2 Ų | 7.2 | 46.7 Ų | 46.7 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 111.7 | -176.2 | -55.9 | 173.4 | 0 | 0 | 0 | 109 | I2674 V2703 L2713 I2715 I2736 R2740 | I2674-I2700 HydrophobicContact CD1-CD1 3.58Å; I2674-I2700 VanDerWaalsContact CD1-CD1 3.43Å; I2674-I2700 HydrophobicContact CD1-CG1 4.43Å; I2674-I2700 HydrophobicContact CG1-CD1 4.26Å; I2700-V2703 HydrophobicContact CG2-CG2 3.69Å; I2700-L2713 HydrophobicContact CG1-CD1 4.32Å; I2700-L2713 HydrophobicContact CG2-CD1 3.96Å; I2700-L2713 HydrophobicContact CG2-CG 4.43Å; I2700-I2715 HydrophobicContact CG1-CD1 4.12Å; I2700-I2736 HydrophobicContact CD1-CG2 3.97Å; I2700-I2736 HydrophobicContact CG2-CG2 4.39Å; I2700-R2740 PolarHBondContact O-NE 3.21Å; I2700-R2740 VanDerWaalsContact O-NE 3.15Å; I2700-R2740 PolarHBondContact O-NH1 2.84Å; I2700-R2740 PolarHBondContact O-NH2 3.06Å; I2700-R2740 VanDerWaalsContact O-NH2 3.08Å |
| 2701 | E | 83 | Confident | 89.1 | Confident | 75.6 Ų | 75.6 | 44.4 Ų | 44.4 | 35% | 0.353 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -40.1 | -177.2 | -90.2 | 177.7 | -179.7 | 0 | 0 | 112.9 | E2699 T2714 L2716 R2740 K2758 R2760 | E2699-E2701 PolarHBondContact O-N 3.04Å; E2701-T2714 WeakPolarHBondContact CA-O 3.31Å; E2701-T2714 HydrophobicContact CB-CG2 4.1Å; E2701-T2714 WeakPolarHBondContact CB-O 3.46Å; E2701-T2714 PolarHBondContact N-O 3.17Å; E2701-L2716 HydrophobicContact CB-CB 4.48Å; E2701-L2716 HydrophobicContact CG-CB 3.98Å; E2701-L2716 HydrophobicContact CG-CD1 4.25Å; E2701-L2716 HydrophobicContact CG-CG 4.17Å; E2701-L2716 WeakPolarHBondContact OE1-CA 3.42Å; E2701-L2716 WeakPolarHBondContact OE1-CB 3.11Å; E2701-L2716 WeakPolarHBondContact OE1-CD1 3.3Å; E2701-L2716 WeakPolarHBondContact OE1-CD2 3.34Å; E2701-L2716 VanDerWaalsContact OE1-CG 3.28Å; E2701-L2716 WeakPolarHBondContact OE1-CG 3.39Å; E2701-R2740 VanDerWaalsContact C-CZ 3.49Å; E2701-R2740 VanDerWaalsContact C-NH1 3.27Å; E2701-R2740 VanDerWaalsContact C-NH2 3.3Å; E2701-R2740 VanDerWaalsContact O-CZ 3.26Å; E2701-R2740 PolarHBondContact O-NH1 3.14Å; E2701-R2740 PolarHBondContact O-NH2 3.17Å; E2701-K2758 IonicContact OE1-NZ 3.76Å; E2701-K2758 PolarHBondContact OE1-NZ 2.84Å; E2701-K2758 IonicContact OE2-NZ 3.09Å; E2701-K2758 PolarHBondContact OE2-NZ 3.08Å; E2701-R2760 IonicContact OE2-NH2 3.61Å; E2701-R2760 PolarHBondContact OE2-NH2 3.43Å |
| 2702 | E | 83.9 | Confident | 89 | Confident | 90.6 Ų | 90.6 | 45.1 Ų | 45.1 | 42% | 0.423 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 149.8 | 176.9 | -159.4 | 173.2 | -162.6 | 0 | 0 | 110.1 | C2704 T2714 R2740 K2878 | E2702-C2704 VanDerWaalsContact CD-SG 3.57Å; E2702-T2714 PolarHBondContact N-O 3.11Å; E2702-T2714 PolarHBondContact O-N 3Å; E2702-R2740 VanDerWaalsContact CA-NH1 3.3Å; E2702-K2878 IonicContact OE1-NZ 3.27Å; E2702-K2878 PolarHBondContact OE1-NZ 2.8Å |
| 2703 | V | 87.1 | Confident | 88.9 | Confident | 22.2 Ų | 22.2 | 44.8 Ų | 44.8 | 14% | 0.135 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 118.1 | 171.5 | 166.4 | 0 | 0 | 0 | 0 | 107 | I2700 F2711 T2712 L2713 V2733 I2736 I2737 | I2700-V2703 HydrophobicContact CG2-CG2 3.69Å; V2703-F2711 HydrophobicContact CG1-CD2 4.36Å; V2703-F2711 HydrophobicContact CG2-CD2 3.88Å; V2703-F2711 HydrophobicContact CG2-CE2 4.25Å; V2703-T2712 WeakPolarHBondContact CA-O 3.32Å; V2703-T2712 WeakPolarHBondContact CG2-O 3.47Å; V2703-L2713 HydrophobicContact CB-CD1 4.02Å; V2703-L2713 HydrophobicContact CB-CD2 4.17Å; V2703-L2713 HydrophobicContact CG1-CD1 4.34Å; V2703-L2713 HydrophobicContact CG1-CD2 3.8Å; V2703-L2713 HydrophobicContact CG2-CD1 3.72Å; V2703-L2713 VanDerWaalsContact CG2-CD1 3.44Å; V2703-L2713 HydrophobicContact CG2-CD2 3.8Å; V2703-L2713 HydrophobicContact CG2-CG 4.22Å; V2703-V2733 HydrophobicContact CG1-CB 4.33Å; V2703-V2733 HydrophobicContact CG1-CG1 4Å; V2703-V2733 HydrophobicContact CG1-CG2 4.03Å; V2703-V2733 HydrophobicContact CG2-CG2 4.33Å; V2703-I2736 HydrophobicContact CB-CG2 4.18Å; V2703-I2736 HydrophobicContact CG1-CG2 4.28Å; V2703-I2736 HydrophobicContact CG2-CB 4.47Å; V2703-I2736 HydrophobicContact CG2-CD1 4.31Å; V2703-I2736 HydrophobicContact CG2-CG2 3.83Å; V2703-I2737 HydrophobicContact CB-CG1 4.21Å; V2703-I2737 HydrophobicContact CG1-CD1 4.33Å; V2703-I2737 HydrophobicContact CG1-CG1 4.03Å; V2703-I2737 HydrophobicContact CG2-CG1 4.45Å |
| 2704 | C | 85.8 | Confident | 88.6 | Confident | 47.6 Ų | 47.6 | 45.8 Ų | 45.8 | 32% | 0.322 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 127.2 | -175.6 | -101.7 | 0 | 0 | 0 | 0 | 109.9 | E2702 F2711 T2712 | E2702-C2704 VanDerWaalsContact CD-SG 3.57Å; C2704-F2711 CarbonylContact O-C 3.52Å; C2704-F2711 VanDerWaalsContact O-CA 3.3Å; C2704-F2711 WeakPolarHBondContact O-CA 3.29Å; C2704-F2711 WeakPolarHBondContact O-CB 3.37Å; C2704-T2712 WeakPolarHBondContact CB-OG1 3.33Å; C2704-T2712 PolarHBondContact N-O 3.09Å; C2704-T2712 PolarHBondContact O-N 2.99Å; C2704-T2712 PolarHBondContact O-OG1 3.31Å |
| 2705 | L | 87.9 | Confident | 88.2 | Confident | 67 Ų | 67 | 45.8 Ų | 45.8 | 35% | 0.351 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 121.6 | 164.2 | -168.8 | 74.6 | 0 | 0 | 0 | 107.5 | D2707 F2711 C2729 D2730 V2733 | L2705-D2707 VanDerWaalsContact CD1-O 3.3Å; L2705-D2707 WeakPolarHBondContact CD1-O 3.42Å; L2705-D2707 WeakPolarHBondContact CG-O 3.39Å; L2705-F2711 HydrophobicContact CD1-CB 4.33Å; L2705-C2729 HydrophobicContact CD1-CB 3.73Å; L2705-D2730 WeakPolarHBondContact CD2-OD1 3.4Å; L2705-V2733 HydrophobicContact CD1-CG2 4.22Å |
| 2706 | V | 84.7 | Confident | 87.5 | Confident | 82.2 Ų | 82.2 | 47.8 Ų | 47.8 | 50% | 0.498 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -44.3 | -179.8 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | Q2710 T2712 | V2706-Q2710 HydrophobicContact CB-CB 4.42Å; V2706-Q2710 HydrophobicContact CB-CG 4.32Å; V2706-Q2710 WeakPolarHBondContact CB-O 3.46Å; V2706-Q2710 PolarHBondContact N-O 2.91Å; V2706-T2712 HydrophobicContact CG2-CG2 4.03Å |
| 2707 | D | 84.8 | Confident | 86.4 | Confident | 75.2 Ų | 75.2 | 49.4 Ų | 49.4 | 40% | 0.402 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 179.1 | 170.3 | 62.7 | 40.1 | 0 | 0 | 0 | 109.2 | L2705 N2709 Q2710 | L2705-D2707 VanDerWaalsContact CD1-O 3.3Å; L2705-D2707 WeakPolarHBondContact CD1-O 3.42Å; L2705-D2707 WeakPolarHBondContact CG-O 3.39Å; D2707-N2709 PolarHBondContact O-N 3.03Å; D2707-N2709 VanDerWaalsContact OD1-C 3.27Å; D2707-N2709 WeakPolarHBondContact OD1-CA 3.43Å; D2707-N2709 PolarHBondContact OD1-N 3.16Å; D2707-N2709 PolarHBondContact OD2-N 2.84Å; D2707-Q2710 PolarHBondContact N-O 3.14Å; D2707-Q2710 VanDerWaalsContact N-O 3.16Å; D2707-Q2710 PolarHBondContact O-N 3.04Å; D2707-Q2710 WeakPolarHBondContact OD1-CA 3.41Å; D2707-Q2710 VanDerWaalsContact OD1-CB 3.22Å; D2707-Q2710 WeakPolarHBondContact OD1-CB 3.27Å; D2707-Q2710 PolarHBondContact OD1-N 3.3Å; D2707-Q2710 PolarHBondContact OD2-N 2.98Å |
| 2708 | N | 85.2 | Confident | 85.5 | Confident | 121.6 Ų | 121.6 | 52.1 Ų | 52.1 | 65% | 0.65 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -25.3 | -176.2 | -61.3 | 5.6 | 0 | 0 | 0 | 114 | ||
| 2709 | N | 90.1 | Very high | 84.5 | Confident | 79.4 Ų | 79.4 | 55.8 Ų | 55.8 | 43% | 0.425 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -6.6 | -173.7 | -68.6 | 34.4 | 0 | 0 | 0 | 112.8 | D2707 I2725 H2726 C2729 | D2707-N2709 PolarHBondContact O-N 3.03Å; D2707-N2709 VanDerWaalsContact OD1-C 3.27Å; D2707-N2709 WeakPolarHBondContact OD1-CA 3.43Å; D2707-N2709 PolarHBondContact OD1-N 3.16Å; D2707-N2709 PolarHBondContact OD2-N 2.84Å; N2709-I2725 CarbonylContact O-C 3.57Å; N2709-I2725 VanDerWaalsContact O-CA 3.24Å; N2709-I2725 WeakPolarHBondContact O-CA 3.37Å; N2709-I2725 WeakPolarHBondContact O-CG2 3.4Å; N2709-H2726 WeakPolarHBondContact CA-O 3.4Å; N2709-H2726 PolarHBondContact O-N 3.21Å; N2709-C2729 PolarHBondContact O-SG 3.21Å |
| 2710 | Q | 92.1 | Very high | 83.7 | Confident | 46.8 Ų | 46.8 | 55.6 Ų | 55.6 | 22% | 0.219 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 133.5 | -178.6 | -174.5 | 179.5 | -36.9 | 0 | 0 | 112.7 | L2658 V2706 D2707 F2724 I2725 | L2658-Q2710 HydrophobicContact CD1-CG 4.42Å; L2658-Q2710 VanDerWaalsContact CD1-OE1 3.25Å; V2706-Q2710 HydrophobicContact CB-CB 4.42Å; V2706-Q2710 HydrophobicContact CB-CG 4.32Å; V2706-Q2710 WeakPolarHBondContact CB-O 3.46Å; V2706-Q2710 PolarHBondContact N-O 2.91Å; D2707-Q2710 PolarHBondContact N-O 3.14Å; D2707-Q2710 VanDerWaalsContact N-O 3.16Å; D2707-Q2710 PolarHBondContact O-N 3.04Å; D2707-Q2710 WeakPolarHBondContact OD1-CA 3.41Å; D2707-Q2710 VanDerWaalsContact OD1-CB 3.22Å; D2707-Q2710 WeakPolarHBondContact OD1-CB 3.27Å; D2707-Q2710 PolarHBondContact OD1-N 3.3Å; D2707-Q2710 PolarHBondContact OD2-N 2.98Å; Q2710-F2724 VanDerWaalsContact CA-O 3.28Å; Q2710-F2724 WeakPolarHBondContact CA-O 3.37Å; Q2710-F2724 WeakPolarHBondContact CG-O 3.13Å; Q2710-I2725 HydrophobicContact CB-CG1 4.31Å; Q2710-I2725 HydrophobicContact CG-CG1 4.26Å |
| 2711 | F | 93.9 | Very high | 83.5 | Confident | 0.8 Ų | 0.8 | 59.1 Ų | 59.1 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 159.6 | 170 | 78.7 | -81 | 0 | 0 | 0 | 112.4 | I2667 V2703 C2704 L2705 L2713 S2723 F2724 C2729 I2732 V2733 I2736 | I2667-F2711 HydrophobicContact CD1-CE1 4.15Å; I2667-F2711 HydrophobicContact CD1-CZ 3.93Å; V2703-F2711 HydrophobicContact CG1-CD2 4.36Å; V2703-F2711 HydrophobicContact CG2-CD2 3.88Å; V2703-F2711 HydrophobicContact CG2-CE2 4.25Å; C2704-F2711 CarbonylContact O-C 3.52Å; C2704-F2711 VanDerWaalsContact O-CA 3.3Å; C2704-F2711 WeakPolarHBondContact O-CA 3.29Å; C2704-F2711 WeakPolarHBondContact O-CB 3.37Å; L2705-F2711 HydrophobicContact CD1-CB 4.33Å; F2711-L2713 HydrophobicContact CD2-CB 4.44Å; F2711-L2713 HydrophobicContact CD2-CD2 4.21Å; F2711-L2713 HydrophobicContact CD2-CG 4.13Å; F2711-L2713 HydrophobicContact CE2-CB 4.21Å; F2711-L2713 HydrophobicContact CE2-CD1 4.04Å; F2711-L2713 HydrophobicContact CE2-CD2 4.01Å; F2711-L2713 HydrophobicContact CE2-CG 3.73Å; F2711-S2723 WeakPolarHBondContact O-CA 3.37Å; F2711-F2724 HydrophobicContact CD1-CB 3.94Å; F2711-F2724 HydrophobicContact CD2-CD2 4.47Å; F2711-F2724 HydrophobicContact CE1-CB 3.48Å; F2711-F2724 VanDerWaalsContact CE1-CB 3.41Å; F2711-F2724 HydrophobicContact CE1-CD2 4.27Å; F2711-F2724 HydrophobicContact CE1-CG 4.14Å; F2711-F2724 HydrophobicContact CE2-CB 4.38Å; F2711-F2724 AromaticContact CE2-CD2 3.81Å; F2711-F2724 HydrophobicContact CE2-CD2 3.87Å; F2711-F2724 HydrophobicContact CE2-CE2 4.45Å; F2711-F2724 HydrophobicContact CE2-CG 4.38Å; F2711-F2724 HydrophobicContact CZ-CB 3.81Å; F2711-F2724 AromaticContact CZ-CD2 3.71Å; F2711-F2724 HydrophobicContact CZ-CD2 3.71Å; F2711-F2724 HydrophobicContact CZ-CE2 4.43Å; F2711-F2724 AromaticContact CZ-CG 3.93Å; F2711-F2724 HydrophobicContact CZ-CG 3.95Å; F2711-F2724 PolarHBondContact N-O 2.97Å; F2711-F2724 PolarHBondContact O-N 3.17Å; F2711-C2729 HydrophobicContact CD1-CB 4.22Å; F2711-C2729 VanDerWaalsContact CD1-SG 3.53Å; F2711-I2732 HydrophobicContact CE1-CB 4.37Å; F2711-I2732 HydrophobicContact CE1-CD1 4.27Å; F2711-I2732 HydrophobicContact CE1-CG2 3.83Å; F2711-I2732 HydrophobicContact CE2-CG2 4.2Å; F2711-I2732 HydrophobicContact CZ-CB 4.34Å; F2711-I2732 HydrophobicContact CZ-CG2 3.55Å; F2711-I2732 VanDerWaalsContact CZ-CG2 3.44Å; F2711-V2733 HydrophobicContact CB-CG2 3.61Å; F2711-V2733 HydrophobicContact CD1-CG2 4.46Å; F2711-V2733 HydrophobicContact CD2-CG2 3.93Å; F2711-V2733 HydrophobicContact CG-CG2 3.78Å; F2711-I2736 HydrophobicContact CE2-CD1 4.03Å; F2711-I2736 HydrophobicContact CZ-CD1 4.34Å |
| 2712 | T | 91.3 | Very high | 83.8 | Confident | 23.4 Ų | 23.4 | 56.6 Ų | 56.6 | 14% | 0.144 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 141.6 | 175.7 | 29.4 | 0 | 0 | 0 | 0 | 111.4 | V2703 C2704 V2706 P2721 L2722 S2723 | V2703-T2712 WeakPolarHBondContact CA-O 3.32Å; V2703-T2712 WeakPolarHBondContact CG2-O 3.47Å; C2704-T2712 WeakPolarHBondContact CB-OG1 3.33Å; C2704-T2712 PolarHBondContact N-O 3.09Å; C2704-T2712 PolarHBondContact O-N 2.99Å; C2704-T2712 PolarHBondContact O-OG1 3.31Å; V2706-T2712 HydrophobicContact CG2-CG2 4.03Å; T2712-P2721 HydrophobicContact CG2-CB 3.85Å; T2712-P2721 VanDerWaalsContact CG2-CB 3.42Å; T2712-P2721 HydrophobicContact CG2-CG 4.4Å; T2712-L2722 CarbonylContact C-O 3.38Å; T2712-L2722 VanDerWaalsContact CA-O 3.31Å; T2712-L2722 WeakPolarHBondContact CA-O 3.36Å; T2712-S2723 VanDerWaalsContact CG2-OG 3.31Å; T2712-S2723 WeakPolarHBondContact CG2-OG 3.38Å; T2712-S2723 PolarHBondContact OG1-OG 3.12Å |
| 2713 | L | 91.6 | Very high | 84.2 | Confident | 3.2 Ų | 3.2 | 53.6 Ų | 53.6 | 2% | 0.017 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 117 | 177.9 | -138.8 | 125.6 | 0 | 0 | 0 | 109.6 | I2674 I2700 V2703 F2711 I2715 P2721 L2722 F2724 I2736 | I2674-L2713 HydrophobicContact CD1-CD1 4.15Å; I2674-L2713 HydrophobicContact CD1-CD2 3.96Å; I2700-L2713 HydrophobicContact CG1-CD1 4.32Å; I2700-L2713 HydrophobicContact CG2-CD1 3.96Å; I2700-L2713 HydrophobicContact CG2-CG 4.43Å; V2703-L2713 HydrophobicContact CB-CD1 4.02Å; V2703-L2713 HydrophobicContact CB-CD2 4.17Å; V2703-L2713 HydrophobicContact CG1-CD1 4.34Å; V2703-L2713 HydrophobicContact CG1-CD2 3.8Å; V2703-L2713 HydrophobicContact CG2-CD1 3.72Å; V2703-L2713 VanDerWaalsContact CG2-CD1 3.44Å; V2703-L2713 HydrophobicContact CG2-CD2 3.8Å; V2703-L2713 HydrophobicContact CG2-CG 4.22Å; F2711-L2713 HydrophobicContact CD2-CB 4.44Å; F2711-L2713 HydrophobicContact CD2-CD2 4.21Å; F2711-L2713 HydrophobicContact CD2-CG 4.13Å; F2711-L2713 HydrophobicContact CE2-CB 4.21Å; F2711-L2713 HydrophobicContact CE2-CD1 4.04Å; F2711-L2713 HydrophobicContact CE2-CD2 4.01Å; F2711-L2713 HydrophobicContact CE2-CG 3.73Å; L2713-I2715 HydrophobicContact CB-CD1 4.48Å; L2713-I2715 HydrophobicContact CB-CG1 4.34Å; L2713-I2715 HydrophobicContact CD2-CD1 3.75Å; L2713-I2715 VanDerWaalsContact CD2-CD1 3.49Å; L2713-I2715 HydrophobicContact CD2-CG1 4Å; L2713-I2715 VanDerWaalsContact CD2-CG1 3.43Å; L2713-I2715 HydrophobicContact CG-CD1 4.08Å; L2713-I2715 HydrophobicContact CG-CG1 3.93Å; L2713-P2721 CarbonylContact O-C 3.56Å; L2713-P2721 WeakPolarHBondContact O-CA 3.39Å; L2713-L2722 HydrophobicContact CB-CB 4.48Å; L2713-L2722 PolarHBondContact N-O 3.15Å; L2713-L2722 PolarHBondContact O-N 3Å; L2713-F2724 HydrophobicContact CB-CE2 4.32Å; L2713-F2724 HydrophobicContact CD1-CD2 4.43Å; L2713-F2724 HydrophobicContact CD1-CE2 3.92Å; L2713-F2724 HydrophobicContact CD2-CE2 4.28Å; L2713-F2724 HydrophobicContact CG-CE2 4.3Å; L2713-I2736 HydrophobicContact CD1-CD1 3.99Å; L2713-I2736 HydrophobicContact CD1-CG2 4.09Å; L2713-I2736 HydrophobicContact CD2-CD1 3.97Å; L2713-I2736 HydrophobicContact CD2-CG2 4.22Å |
| 2714 | T | 86.8 | Confident | 84.6 | Confident | 34.6 Ų | 34.6 | 52.6 Ų | 52.6 | 21% | 0.212 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 124.2 | 175.8 | -52.6 | 0 | 0 | 0 | 0 | 109 | E2701 E2702 | E2701-T2714 WeakPolarHBondContact CA-O 3.31Å; E2701-T2714 HydrophobicContact CB-CG2 4.1Å; E2701-T2714 WeakPolarHBondContact CB-O 3.46Å; E2701-T2714 PolarHBondContact N-O 3.17Å; E2702-T2714 PolarHBondContact N-O 3.11Å; E2702-T2714 PolarHBondContact O-N 3Å |
| 2715 | I | 85.8 | Confident | 84.9 | Confident | 7.6 Ų | 7.6 | 53.3 Ų | 53.3 | 4% | 0.039 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 131.1 | -175 | -55.2 | -155.3 | 0 | 0 | 0 | 110.7 | Y2695 E2699 I2700 L2713 N2717 D2718 L2722 | Y2695-I2715 HydrophobicContact CD1-CD1 3.6Å; Y2695-I2715 VanDerWaalsContact CD1-CD1 3.45Å; Y2695-I2715 HydrophobicContact CD1-CG1 4.13Å; Y2695-I2715 HydrophobicContact CD1-CG2 3.84Å; Y2695-I2715 HydrophobicContact CD2-CD1 3.85Å; Y2695-I2715 HydrophobicContact CE1-CD1 3.56Å; Y2695-I2715 VanDerWaalsContact CE1-CD1 3.42Å; Y2695-I2715 HydrophobicContact CE1-CG1 4.21Å; Y2695-I2715 HydrophobicContact CE1-CG2 4.17Å; Y2695-I2715 HydrophobicContact CE2-CD1 3.99Å; Y2695-I2715 HydrophobicContact CG-CD1 3.7Å; E2699-I2715 HydrophobicContact CB-CG2 4.15Å; E2699-I2715 CarbonylContact O-C 3.59Å; E2699-I2715 WeakPolarHBondContact O-CA 3.28Å; I2700-I2715 HydrophobicContact CG1-CD1 4.12Å; L2713-I2715 HydrophobicContact CB-CD1 4.48Å; L2713-I2715 HydrophobicContact CB-CG1 4.34Å; L2713-I2715 HydrophobicContact CD2-CD1 3.75Å; L2713-I2715 VanDerWaalsContact CD2-CD1 3.49Å; L2713-I2715 HydrophobicContact CD2-CG1 4Å; L2713-I2715 VanDerWaalsContact CD2-CG1 3.43Å; L2713-I2715 HydrophobicContact CG-CD1 4.08Å; L2713-I2715 HydrophobicContact CG-CG1 3.93Å; I2715-N2717 PolarHBondContact O-N 3.15Å; I2715-N2717 VanDerWaalsContact O-N 3.17Å; I2715-D2718 HydrophobicContact CB-CB 4.08Å; I2715-D2718 HydrophobicContact CG2-CB 4.43Å; I2715-D2718 PolarHBondContact O-N 3.02Å; I2715-D2718 VanDerWaalsContact O-N 3.13Å; I2715-L2722 HydrophobicContact CD1-CD1 3.64Å; I2715-L2722 HydrophobicContact CD1-CG 4.46Å; I2715-L2722 HydrophobicContact CG1-CD1 4.26Å |
| 2716 | L | 77.5 | Confident | 85.2 | Confident | 68 Ų | 68 | 51.1 Ų | 51.1 | 36% | 0.356 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 119.9 | 178.2 | -150.3 | 147 | 0 | 0 | 0 | 110.1 | S2698 E2699 E2701 D2718 | S2698-L2716 WeakPolarHBondContact O-CD1 3.01Å; E2699-L2716 HydrophobicContact CB-CB 4.39Å; E2699-L2716 WeakPolarHBondContact O-CB 3.32Å; E2699-L2716 PolarHBondContact O-N 3.17Å; E2701-L2716 HydrophobicContact CB-CB 4.48Å; E2701-L2716 HydrophobicContact CG-CB 3.98Å; E2701-L2716 HydrophobicContact CG-CD1 4.25Å; E2701-L2716 HydrophobicContact CG-CG 4.17Å; E2701-L2716 WeakPolarHBondContact OE1-CA 3.42Å; E2701-L2716 WeakPolarHBondContact OE1-CB 3.11Å; E2701-L2716 WeakPolarHBondContact OE1-CD1 3.3Å; E2701-L2716 WeakPolarHBondContact OE1-CD2 3.34Å; E2701-L2716 VanDerWaalsContact OE1-CG 3.28Å; E2701-L2716 WeakPolarHBondContact OE1-CG 3.39Å; L2716-D2718 VanDerWaalsContact C-N 3.34Å; L2716-D2718 PolarHBondContact O-N 2.97Å |
| 2717 | N | 68.9 | Low | 85.6 | Confident | 89 Ų | 89 | 54.1 Ų | 54.1 | 48% | 0.476 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 3.4 | -176.4 | -46 | -45.7 | 0 | 0 | 0 | 117.6 | I2715 K2758 R2760 | I2715-N2717 PolarHBondContact O-N 3.15Å; I2715-N2717 VanDerWaalsContact O-N 3.17Å; N2717-K2758 PolarHBondContact OD1-NZ 3.09Å; N2717-R2760 PolarHBondContact OD1-NH2 3.25Å |
| 2718 | D | 70.9 | Confident | 85.9 | Confident | 58.8 Ų | 58.8 | 52.1 Ų | 52.1 | 31% | 0.314 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -84.3 | 164 | 170.3 | -147.4 | -22.2 | 0 | 0 | 0 | 111.4 | Y2695 I2715 L2716 G2720 R2760 | Y2695-D2718 PolarHBondContact OH-OD2 3.05Å; Y2695-D2718 VanDerWaalsContact OH-OD2 3.13Å; I2715-D2718 HydrophobicContact CB-CB 4.08Å; I2715-D2718 HydrophobicContact CG2-CB 4.43Å; I2715-D2718 PolarHBondContact O-N 3.02Å; I2715-D2718 VanDerWaalsContact O-N 3.13Å; L2716-D2718 VanDerWaalsContact C-N 3.34Å; L2716-D2718 PolarHBondContact O-N 2.97Å; D2718-G2720 PolarHBondContact O-N 3.15Å; D2718-G2720 VanDerWaalsContact O-N 3.12Å; D2718-R2760 PolarHBondContact O-NH1 3.14Å; D2718-R2760 VanDerWaalsContact O-NH1 3.08Å |
| 2719 | N | 65.7 | Low | 86.3 | Confident | 136 Ų | 136 | 46.3 Ų | 46.3 | 73% | 0.727 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -82.1 | 28.7 | -174.3 | -80.8 | -20.5 | 0 | 0 | 0 | 113.8 | R2760 | N2719-R2760 PolarHBondContact OD1-NH1 2.93Å; N2719-R2760 PolarHBondContact OD1-NH2 3.23Å |
| 2720 | G | 72.3 | Confident | 86.3 | Confident | 31.8 Ų | 31.8 | 46.6 Ų | 46.6 | 33% | 0.328 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 137.6 | 178 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D2718 L2722 | D2718-G2720 PolarHBondContact O-N 3.15Å; D2718-G2720 VanDerWaalsContact O-N 3.12Å; G2720-L2722 PolarHBondContact O-N 3.04Å |
| 2721 | P | 83.4 | Confident | 86.4 | Confident | 79.4 Ų | 79.4 | 47.7 Ų | 47.7 | 52% | 0.516 | 28% | 0.279 | S | S | . | . | trans | -71.3 | 137 | 177.9 | 29.4 | -34 | 0 | 0 | 0 | 111.6 | T2712 L2713 | T2712-P2721 HydrophobicContact CG2-CB 3.85Å; T2712-P2721 VanDerWaalsContact CG2-CB 3.42Å; T2712-P2721 HydrophobicContact CG2-CG 4.4Å; L2713-P2721 CarbonylContact O-C 3.56Å; L2713-P2721 WeakPolarHBondContact O-CA 3.39Å | ||
| 2722 | L | 90.4 | Very high | 86.4 | Confident | 22.4 Ų | 22.4 | 47.7 Ų | 47.7 | 12% | 0.117 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 120.6 | 173.9 | -57.8 | -179.7 | 0 | 0 | 0 | 109.6 | Y2695 T2712 L2713 I2715 G2720 F2724 | Y2695-L2722 HydrophobicContact CE1-CD1 4.44Å; Y2695-L2722 HydrophobicContact CE2-CD1 4.1Å; Y2695-L2722 VanDerWaalsContact OH-CD1 3.31Å; Y2695-L2722 WeakPolarHBondContact OH-CD1 3.35Å; T2712-L2722 CarbonylContact C-O 3.38Å; T2712-L2722 VanDerWaalsContact CA-O 3.31Å; T2712-L2722 WeakPolarHBondContact CA-O 3.36Å; L2713-L2722 HydrophobicContact CB-CB 4.48Å; L2713-L2722 PolarHBondContact N-O 3.15Å; L2713-L2722 PolarHBondContact O-N 3Å; I2715-L2722 HydrophobicContact CD1-CD1 3.64Å; I2715-L2722 HydrophobicContact CD1-CG 4.46Å; I2715-L2722 HydrophobicContact CG1-CD1 4.26Å; G2720-L2722 PolarHBondContact O-N 3.04Å; L2722-F2724 HydrophobicContact CB-CD2 4.45Å; L2722-F2724 HydrophobicContact CB-CE2 3.59Å; L2722-F2724 HydrophobicContact CB-CZ 3.98Å; L2722-F2724 HydrophobicContact CD1-CE2 4.42Å; L2722-F2724 HydrophobicContact CD1-CZ 4.32Å |
| 2723 | S | 92.2 | Very high | 86.5 | Confident | 28.2 Ų | 28.2 | 46.9 Ų | 46.9 | 20% | 0.197 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 137 | 178.7 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | L2658 F2711 T2712 | L2658-S2723 PolarHBondContact N-O 3.14Å; F2711-S2723 WeakPolarHBondContact O-CA 3.37Å; T2712-S2723 VanDerWaalsContact CG2-OG 3.31Å; T2712-S2723 WeakPolarHBondContact CG2-OG 3.38Å; T2712-S2723 PolarHBondContact OG1-OG 3.12Å |
| 2724 | F | 94.6 | Very high | 86.5 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.009 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 141.1 | -178 | -61.1 | -85.8 | 0 | 0 | 0 | 111.5 | L2656 K2657 V2665 I2667 V2676 Q2710 F2711 L2713 L2722 | L2656-F2724 CarbonylContact O-C 3.56Å; L2656-F2724 VanDerWaalsContact O-CA 3.29Å; L2656-F2724 WeakPolarHBondContact O-CA 3.37Å; K2657-F2724 HydrophobicContact CB-CD1 3.98Å; K2657-F2724 HydrophobicContact CB-CE1 3.82Å; K2657-F2724 HydrophobicContact CD-CE1 4.09Å; K2657-F2724 HydrophobicContact CD-CZ 4.36Å; K2657-F2724 HydrophobicContact CG-CD1 4.23Å; K2657-F2724 HydrophobicContact CG-CE1 3.73Å; K2657-F2724 HydrophobicContact CG-CZ 4.36Å; V2665-F2724 HydrophobicContact CG2-CD1 4.29Å; V2665-F2724 HydrophobicContact CG2-CE1 4.34Å; I2667-F2724 HydrophobicContact CD1-CB 4.38Å; I2667-F2724 HydrophobicContact CD1-CD1 3.91Å; I2667-F2724 HydrophobicContact CD1-CE1 4.28Å; I2667-F2724 HydrophobicContact CD1-CG 4.12Å; V2676-F2724 HydrophobicContact CG1-CE1 3.9Å; V2676-F2724 HydrophobicContact CG1-CZ 4.36Å; V2676-F2724 HydrophobicContact CG2-CE1 4.32Å; V2676-F2724 HydrophobicContact CG2-CZ 4.09Å; Q2710-F2724 VanDerWaalsContact CA-O 3.28Å; Q2710-F2724 WeakPolarHBondContact CA-O 3.37Å; Q2710-F2724 WeakPolarHBondContact CG-O 3.13Å; F2711-F2724 HydrophobicContact CD1-CB 3.94Å; F2711-F2724 HydrophobicContact CD2-CD2 4.47Å; F2711-F2724 HydrophobicContact CE1-CB 3.48Å; F2711-F2724 VanDerWaalsContact CE1-CB 3.41Å; F2711-F2724 HydrophobicContact CE1-CD2 4.27Å; F2711-F2724 HydrophobicContact CE1-CG 4.14Å; F2711-F2724 HydrophobicContact CE2-CB 4.38Å; F2711-F2724 AromaticContact CE2-CD2 3.81Å; F2711-F2724 HydrophobicContact CE2-CD2 3.87Å; F2711-F2724 HydrophobicContact CE2-CE2 4.45Å; F2711-F2724 HydrophobicContact CE2-CG 4.38Å; F2711-F2724 HydrophobicContact CZ-CB 3.81Å; F2711-F2724 AromaticContact CZ-CD2 3.71Å; F2711-F2724 HydrophobicContact CZ-CD2 3.71Å; F2711-F2724 HydrophobicContact CZ-CE2 4.43Å; F2711-F2724 AromaticContact CZ-CG 3.93Å; F2711-F2724 HydrophobicContact CZ-CG 3.95Å; F2711-F2724 PolarHBondContact N-O 2.97Å; F2711-F2724 PolarHBondContact O-N 3.17Å; L2713-F2724 HydrophobicContact CB-CE2 4.32Å; L2713-F2724 HydrophobicContact CD1-CD2 4.43Å; L2713-F2724 HydrophobicContact CD1-CE2 3.92Å; L2713-F2724 HydrophobicContact CD2-CE2 4.28Å; L2713-F2724 HydrophobicContact CG-CE2 4.3Å; L2722-F2724 HydrophobicContact CB-CD2 4.45Å; L2722-F2724 HydrophobicContact CB-CE2 3.59Å; L2722-F2724 HydrophobicContact CB-CZ 3.98Å; L2722-F2724 HydrophobicContact CD1-CE2 4.42Å; L2722-F2724 HydrophobicContact CD1-CZ 4.32Å |
| 2725 | I | 93.2 | Very high | 86.8 | Confident | 61 Ų | 61 | 51.2 Ų | 51.2 | 31% | 0.313 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 132.8 | 170.4 | -61.9 | 178.4 | 0 | 0 | 0 | 109.9 | A2655 L2656 L2658 N2709 Q2710 | A2655-I2725 CarbonylContact C-O 3.5Å; A2655-I2725 VanDerWaalsContact CA-O 3.29Å; A2655-I2725 WeakPolarHBondContact CA-O 3.42Å; L2656-I2725 HydrophobicContact CB-CB 4.32Å; L2656-I2725 PolarHBondContact N-O 3.09Å; L2656-I2725 PolarHBondContact O-N 2.82Å; L2658-I2725 HydrophobicContact CD1-CD1 4.01Å; L2658-I2725 HydrophobicContact CD1-CG1 3.99Å; L2658-I2725 HydrophobicContact CD2-CD1 3.9Å; L2658-I2725 HydrophobicContact CD2-CG1 4.31Å; L2658-I2725 HydrophobicContact CG-CD1 4.24Å; L2658-I2725 HydrophobicContact CG-CG1 4.23Å; N2709-I2725 CarbonylContact O-C 3.57Å; N2709-I2725 VanDerWaalsContact O-CA 3.24Å; N2709-I2725 WeakPolarHBondContact O-CA 3.37Å; N2709-I2725 WeakPolarHBondContact O-CG2 3.4Å; Q2710-I2725 HydrophobicContact CB-CG1 4.31Å; Q2710-I2725 HydrophobicContact CG-CG1 4.26Å |
| 2726 | H | 94.6 | Very high | 87.2 | Confident | 21.4 Ų | 21.4 | 50.9 Ų | 50.9 | 10% | 0.099 | 29% | 0.292 | C | S | . | . | trans | -159.9 | 151.4 | 175 | -168.1 | -105.4 | 0 | 0 | 0 | 111.9 | N2653 A2655 N2709 A2728 C2729 I2732 | N2653-H2726 PolarHBondContact O-NE2 3.2Å; N2653-H2726 VanDerWaalsContact O-NE2 3.12Å; A2655-H2726 HydrophobicContact CB-CB 4.16Å; N2709-H2726 WeakPolarHBondContact CA-O 3.4Å; N2709-H2726 PolarHBondContact O-N 3.21Å; H2726-A2728 PolarHBondContact ND1-N 3.06Å; H2726-A2728 PolarHBondContact O-N 3.13Å; H2726-A2728 VanDerWaalsContact O-N 3.15Å; H2726-C2729 PolarHBondContact N-SG 3.05Å; H2726-C2729 PolarHBondContact O-SG 3Å; H2726-I2732 HydrophobicContact CB-CD1 3.88Å; H2726-I2732 WeakPolarHBondContact ND1-CD1 3.33Å | ||
| 2727 | D | 91.9 | Very high | 87.8 | Confident | 144.6 Ų | 144.6 | 50.6 Ų | 50.6 | 77% | 0.773 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -13.8 | -179.2 | -56.3 | -37 | 0 | 0 | 0 | 113.8 | ||
| 2728 | A | 92.3 | Very high | 88.9 | Confident | 33.8 Ų | 33.8 | 52.1 Ų | 52.1 | 28% | 0.279 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | 38.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H2726 D2730 S2731 I2732 | H2726-A2728 PolarHBondContact ND1-N 3.06Å; H2726-A2728 PolarHBondContact O-N 3.13Å; H2726-A2728 VanDerWaalsContact O-N 3.15Å; A2728-D2730 VanDerWaalsContact C-N 3.3Å; A2728-D2730 PolarHBondContact O-N 2.84Å; A2728-S2731 WeakPolarHBondContact O-CB 3.33Å; A2728-S2731 PolarHBondContact O-N 3.24Å; A2728-I2732 WeakPolarHBondContact O-CG1 3.01Å; A2728-I2732 PolarHBondContact O-N 3.26Å; A2728-I2732 VanDerWaalsContact O-N 3.15Å |
| 2729 | C | 92.7 | Very high | 89.9 | Confident | 0.2 Ų | 0.2 | 49.8 Ų | 49.8 | 0% | 0.001 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -52.2 | -41.8 | -178.2 | -78.3 | 0 | 0 | 0 | 0 | 113.8 | L2705 N2709 F2711 H2726 S2731 I2732 V2733 | L2705-C2729 HydrophobicContact CD1-CB 3.73Å; N2709-C2729 PolarHBondContact O-SG 3.21Å; F2711-C2729 HydrophobicContact CD1-CB 4.22Å; F2711-C2729 VanDerWaalsContact CD1-SG 3.53Å; H2726-C2729 PolarHBondContact N-SG 3.05Å; H2726-C2729 PolarHBondContact O-SG 3Å; C2729-S2731 VanDerWaalsContact C-N 3.31Å; C2729-S2731 PolarHBondContact O-N 2.93Å; C2729-I2732 PolarHBondContact O-N 3.06Å; C2729-I2732 VanDerWaalsContact O-N 3.16Å; C2729-V2733 WeakPolarHBondContact O-CB 3.33Å; C2729-V2733 VanDerWaalsContact O-CG2 3.32Å; C2729-V2733 WeakPolarHBondContact O-CG2 3.34Å; C2729-V2733 PolarHBondContact O-N 3.32Å |
| 2730 | D | 91.1 | Very high | 91 | Very high | 86.6 Ų | 86.6 | 47.3 Ų | 47.3 | 46% | 0.463 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -55.2 | -44.9 | 174.5 | -93.2 | -43.1 | 0 | 0 | 0 | 112.7 | L2705 A2728 I2732 V2733 Q2734 | L2705-D2730 WeakPolarHBondContact CD2-OD1 3.4Å; A2728-D2730 VanDerWaalsContact C-N 3.3Å; A2728-D2730 PolarHBondContact O-N 2.84Å; D2730-I2732 VanDerWaalsContact C-N 3.33Å; D2730-I2732 PolarHBondContact O-N 3.1Å; D2730-V2733 PolarHBondContact O-N 3.34Å; D2730-Q2734 VanDerWaalsContact O-CB 3.31Å; D2730-Q2734 WeakPolarHBondContact O-CB 3.38Å; D2730-Q2734 VanDerWaalsContact O-CG 3.24Å; D2730-Q2734 WeakPolarHBondContact O-CG 3.41Å; D2730-Q2734 PolarHBondContact O-N 3.09Å |
| 2731 | S | 92.9 | Very high | 91.8 | Very high | 69 Ų | 69 | 49.1 Ų | 49.1 | 48% | 0.483 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.2 | -33.2 | -179.9 | -67.3 | 0 | 0 | 0 | 0 | 112.6 | A2728 C2729 A2735 | A2728-S2731 WeakPolarHBondContact O-CB 3.33Å; A2728-S2731 PolarHBondContact O-N 3.24Å; C2729-S2731 VanDerWaalsContact C-N 3.31Å; C2729-S2731 PolarHBondContact O-N 2.93Å; S2731-A2735 WeakPolarHBondContact O-CB 3.37Å; S2731-A2735 PolarHBondContact O-N 3.11Å; S2731-A2735 VanDerWaalsContact O-N 3.14Å |
| 2732 | I | 93.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.2 | -51.5 | 174.6 | -63.5 | 169.7 | 0 | 0 | 0 | 109.8 | F2652 I2667 F2711 H2726 A2728 C2729 D2730 Q2734 A2735 I2736 | F2652-I2732 HydrophobicContact CB-CD1 3.93Å; F2652-I2732 HydrophobicContact CB-CG1 4.13Å; F2652-I2732 HydrophobicContact CD1-CD1 4.06Å; F2652-I2732 HydrophobicContact CD1-CG1 3.52Å; F2652-I2732 VanDerWaalsContact CD1-CG1 3.49Å; F2652-I2732 HydrophobicContact CD2-CD1 4.44Å; F2652-I2732 HydrophobicContact CD2-CG1 3.78Å; F2652-I2732 HydrophobicContact CE1-CG1 3.73Å; F2652-I2732 HydrophobicContact CE2-CG1 3.98Å; F2652-I2732 HydrophobicContact CG-CD1 3.92Å; F2652-I2732 HydrophobicContact CG-CG1 3.54Å; F2652-I2732 HydrophobicContact CZ-CG1 3.94Å; I2667-I2732 HydrophobicContact CD1-CD1 4.39Å; I2667-I2732 HydrophobicContact CG2-CG2 4.42Å; F2711-I2732 HydrophobicContact CE1-CB 4.37Å; F2711-I2732 HydrophobicContact CE1-CD1 4.27Å; F2711-I2732 HydrophobicContact CE1-CG2 3.83Å; F2711-I2732 HydrophobicContact CE2-CG2 4.2Å; F2711-I2732 HydrophobicContact CZ-CB 4.34Å; F2711-I2732 HydrophobicContact CZ-CG2 3.55Å; F2711-I2732 VanDerWaalsContact CZ-CG2 3.44Å; H2726-I2732 HydrophobicContact CB-CD1 3.88Å; H2726-I2732 WeakPolarHBondContact ND1-CD1 3.33Å; A2728-I2732 WeakPolarHBondContact O-CG1 3.01Å; A2728-I2732 PolarHBondContact O-N 3.26Å; A2728-I2732 VanDerWaalsContact O-N 3.15Å; C2729-I2732 PolarHBondContact O-N 3.06Å; C2729-I2732 VanDerWaalsContact O-N 3.16Å; D2730-I2732 VanDerWaalsContact C-N 3.33Å; D2730-I2732 PolarHBondContact O-N 3.1Å; I2732-Q2734 PolarHBondContact O-N 3.23Å; I2732-A2735 WeakPolarHBondContact O-CB 3.32Å; I2732-A2735 PolarHBondContact O-N 3.13Å; I2732-A2735 VanDerWaalsContact O-N 3.13Å; I2732-I2736 HydrophobicContact CG2-CD1 3.67Å; I2732-I2736 HydrophobicContact CG2-CG1 4.39Å; I2732-I2736 VanDerWaalsContact O-CG1 3.3Å; I2732-I2736 WeakPolarHBondContact O-CG1 3.37Å; I2732-I2736 PolarHBondContact O-N 3.29Å |
| 2733 | V | 93.3 | Very high | 92 | Very high | 8 Ų | 8 | 54 Ų | 54 | 5% | 0.048 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.7 | -46.8 | 179.9 | 166.3 | 0 | 0 | 0 | 0 | 111 | V2703 L2705 F2711 C2729 D2730 A2735 I2736 I2737 | V2703-V2733 HydrophobicContact CG1-CB 4.33Å; V2703-V2733 HydrophobicContact CG1-CG1 4Å; V2703-V2733 HydrophobicContact CG1-CG2 4.03Å; V2703-V2733 HydrophobicContact CG2-CG2 4.33Å; L2705-V2733 HydrophobicContact CD1-CG2 4.22Å; F2711-V2733 HydrophobicContact CB-CG2 3.61Å; F2711-V2733 HydrophobicContact CD1-CG2 4.46Å; F2711-V2733 HydrophobicContact CD2-CG2 3.93Å; F2711-V2733 HydrophobicContact CG-CG2 3.78Å; C2729-V2733 WeakPolarHBondContact O-CB 3.33Å; C2729-V2733 VanDerWaalsContact O-CG2 3.32Å; C2729-V2733 WeakPolarHBondContact O-CG2 3.34Å; C2729-V2733 PolarHBondContact O-N 3.32Å; D2730-V2733 PolarHBondContact O-N 3.34Å; V2733-A2735 VanDerWaalsContact C-N 3.34Å; V2733-A2735 PolarHBondContact O-N 3.22Å; V2733-I2736 PolarHBondContact O-N 3.22Å; V2733-I2737 HydrophobicContact CG1-CD1 3.62Å; V2733-I2737 HydrophobicContact CG1-CG1 4.37Å; V2733-I2737 WeakPolarHBondContact O-CB 3.33Å; V2733-I2737 VanDerWaalsContact O-CG1 3.29Å; V2733-I2737 WeakPolarHBondContact O-CG1 3.38Å; V2733-I2737 PolarHBondContact O-N 3.16Å |
| 2734 | Q | 92.4 | Very high | 91.6 | Very high | 119.2 Ų | 119.2 | 55.2 Ų | 55.2 | 56% | 0.557 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63.6 | -38.9 | 176.9 | -69.8 | -64.1 | -21.6 | 0 | 0 | 112.7 | D2730 I2732 I2736 H2738 | D2730-Q2734 VanDerWaalsContact O-CB 3.31Å; D2730-Q2734 WeakPolarHBondContact O-CB 3.38Å; D2730-Q2734 VanDerWaalsContact O-CG 3.24Å; D2730-Q2734 WeakPolarHBondContact O-CG 3.41Å; D2730-Q2734 PolarHBondContact O-N 3.09Å; I2732-Q2734 PolarHBondContact O-N 3.23Å; Q2734-I2736 VanDerWaalsContact C-N 3.34Å; Q2734-I2736 PolarHBondContact O-N 3.3Å; Q2734-H2738 VanDerWaalsContact O-CB 3.3Å; Q2734-H2738 WeakPolarHBondContact O-CB 3.36Å; Q2734-H2738 PolarHBondContact O-N 3.08Å |
| 2735 | A | 92.9 | Very high | 91.2 | Very high | 8.6 Ų | 8.6 | 61.8 Ų | 61.8 | 7% | 0.071 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V2669 S2731 I2732 V2733 H2738 I2739 | V2669-A2735 HydrophobicContact CB-CB 4.47Å; V2669-A2735 HydrophobicContact CG1-CB 4.03Å; V2669-A2735 HydrophobicContact CG2-CB 4.35Å; S2731-A2735 WeakPolarHBondContact O-CB 3.37Å; S2731-A2735 PolarHBondContact O-N 3.11Å; S2731-A2735 VanDerWaalsContact O-N 3.14Å; I2732-A2735 WeakPolarHBondContact O-CB 3.32Å; I2732-A2735 PolarHBondContact O-N 3.13Å; I2732-A2735 VanDerWaalsContact O-N 3.13Å; V2733-A2735 VanDerWaalsContact C-N 3.34Å; V2733-A2735 PolarHBondContact O-N 3.22Å; A2735-H2738 PolarHBondContact O-N 3.15Å; A2735-I2739 WeakPolarHBondContact O-CD1 3.4Å; A2735-I2739 WeakPolarHBondContact O-CG1 3.17Å; A2735-I2739 PolarHBondContact O-N 3.01Å; A2735-I2739 VanDerWaalsContact O-N 3.15Å |
| 2736 | I | 93.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.3 | -46.3 | 177.2 | -65 | 169.5 | 0 | 0 | 0 | 111.3 | V2669 I2674 I2700 V2703 F2711 L2713 I2732 V2733 Q2734 H2738 I2739 R2740 | V2669-I2736 HydrophobicContact CG2-CG1 4.4Å; I2674-I2736 HydrophobicContact CD1-CB 4.36Å; I2674-I2736 HydrophobicContact CD1-CD1 3.72Å; I2674-I2736 HydrophobicContact CD1-CG1 3.66Å; I2674-I2736 HydrophobicContact CD1-CG2 3.83Å; I2674-I2736 HydrophobicContact CG1-CD1 4.48Å; I2674-I2736 HydrophobicContact CG1-CG1 4.2Å; I2700-I2736 HydrophobicContact CD1-CG2 3.97Å; I2700-I2736 HydrophobicContact CG2-CG2 4.39Å; V2703-I2736 HydrophobicContact CB-CG2 4.18Å; V2703-I2736 HydrophobicContact CG1-CG2 4.28Å; V2703-I2736 HydrophobicContact CG2-CB 4.47Å; V2703-I2736 HydrophobicContact CG2-CD1 4.31Å; V2703-I2736 HydrophobicContact CG2-CG2 3.83Å; F2711-I2736 HydrophobicContact CE2-CD1 4.03Å; F2711-I2736 HydrophobicContact CZ-CD1 4.34Å; L2713-I2736 HydrophobicContact CD1-CD1 3.99Å; L2713-I2736 HydrophobicContact CD1-CG2 4.09Å; L2713-I2736 HydrophobicContact CD2-CD1 3.97Å; L2713-I2736 HydrophobicContact CD2-CG2 4.22Å; I2732-I2736 HydrophobicContact CG2-CD1 3.67Å; I2732-I2736 HydrophobicContact CG2-CG1 4.39Å; I2732-I2736 VanDerWaalsContact O-CG1 3.3Å; I2732-I2736 WeakPolarHBondContact O-CG1 3.37Å; I2732-I2736 PolarHBondContact O-N 3.29Å; V2733-I2736 PolarHBondContact O-N 3.22Å; Q2734-I2736 VanDerWaalsContact C-N 3.34Å; Q2734-I2736 PolarHBondContact O-N 3.3Å; I2736-H2738 VanDerWaalsContact C-N 3.29Å; I2736-H2738 PolarHBondContact O-N 3.08Å; I2736-I2739 WeakPolarHBondContact O-CG1 3.38Å; I2736-I2739 PolarHBondContact O-N 3.02Å; I2736-R2740 WeakPolarHBondContact O-CB 3.22Å; I2736-R2740 PolarHBondContact O-N 3.03Å |
| 2737 | I | 90.9 | Very high | 90.1 | Very high | 62 Ų | 62 | 65.9 Ų | 65.9 | 32% | 0.318 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.7 | -43.2 | 175.9 | -70.5 | 169.8 | 0 | 0 | 0 | 110.1 | V2703 V2733 I2739 R2740 T2741 | V2703-I2737 HydrophobicContact CB-CG1 4.21Å; V2703-I2737 HydrophobicContact CG1-CD1 4.33Å; V2703-I2737 HydrophobicContact CG1-CG1 4.03Å; V2703-I2737 HydrophobicContact CG2-CG1 4.45Å; V2733-I2737 HydrophobicContact CG1-CD1 3.62Å; V2733-I2737 HydrophobicContact CG1-CG1 4.37Å; V2733-I2737 WeakPolarHBondContact O-CB 3.33Å; V2733-I2737 VanDerWaalsContact O-CG1 3.29Å; V2733-I2737 WeakPolarHBondContact O-CG1 3.38Å; V2733-I2737 PolarHBondContact O-N 3.16Å; I2737-I2739 PolarHBondContact O-N 3.04Å; I2737-R2740 PolarHBondContact O-N 3.19Å; I2737-T2741 VanDerWaalsContact O-CB 3.25Å; I2737-T2741 WeakPolarHBondContact O-CB 3.39Å; I2737-T2741 PolarHBondContact O-N 3.12Å; I2737-T2741 PolarHBondContact O-OG1 3.12Å; I2737-T2741 VanDerWaalsContact O-OG1 3.08Å |
| 2738 | H | 91.7 | Very high | 89.3 | Confident | 120 Ų | 120 | 63.5 Ų | 63.5 | 56% | 0.556 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -58.3 | -48 | 177.2 | 176.8 | 75.4 | 0 | 0 | 0 | 112.6 | Q2734 A2735 I2736 R2740 T2741 R2742 | Q2734-H2738 VanDerWaalsContact O-CB 3.3Å; Q2734-H2738 WeakPolarHBondContact O-CB 3.36Å; Q2734-H2738 PolarHBondContact O-N 3.08Å; A2735-H2738 PolarHBondContact O-N 3.15Å; I2736-H2738 VanDerWaalsContact C-N 3.29Å; I2736-H2738 PolarHBondContact O-N 3.08Å; H2738-R2740 VanDerWaalsContact C-N 3.35Å; H2738-R2740 PolarHBondContact O-N 3.24Å; H2738-T2741 PolarHBondContact O-N 3.21Å; H2738-R2742 PolarHBondContact NE2-NE 3.09Å; H2738-R2742 VanDerWaalsContact O-CB 3.27Å; H2738-R2742 WeakPolarHBondContact O-CB 3.28Å; H2738-R2742 PolarHBondContact O-N 3.05Å |
| 2739 | I | 91.8 | Very high | 87.8 | Confident | 9.8 Ų | 9.8 | 70.1 Ų | 70.1 | 5% | 0.05 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 178 | -58.6 | 157 | 0 | 0 | 0 | 111.2 | V2669 C2670 T2671 I2674 A2697 A2735 I2736 I2737 R2742 W2743 | V2669-I2739 HydrophobicContact CG1-CD1 3.26Å; V2669-I2739 HydrophobicContact CG1-CG1 3.98Å; C2670-I2739 WeakPolarHBondContact O-CD1 3.33Å; T2671-I2739 VanDerWaalsContact O-CG2 3.32Å; T2671-I2739 WeakPolarHBondContact O-CG2 3.32Å; I2674-I2739 HydrophobicContact CG1-CD1 3.99Å; A2697-I2739 HydrophobicContact CB-CB 4.38Å; A2697-I2739 HydrophobicContact CB-CG2 3.76Å; A2735-I2739 WeakPolarHBondContact O-CD1 3.4Å; A2735-I2739 WeakPolarHBondContact O-CG1 3.17Å; A2735-I2739 PolarHBondContact O-N 3.01Å; A2735-I2739 VanDerWaalsContact O-N 3.15Å; I2736-I2739 WeakPolarHBondContact O-CG1 3.38Å; I2736-I2739 PolarHBondContact O-N 3.02Å; I2737-I2739 PolarHBondContact O-N 3.04Å; I2739-R2742 PolarHBondContact O-N 3.04Å; I2739-W2743 WeakPolarHBondContact O-CB 3.34Å; I2739-W2743 PolarHBondContact O-N 3.15Å |
| 2740 | R | 89.6 | Confident | 86 | Confident | 83.4 Ų | 83.4 | 74.7 Ų | 74.7 | 32% | 0.315 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.5 | -45.5 | 179.6 | -174.7 | -177.4 | 177.1 | -175.3 | 2.9 | 112 | I2700 E2701 E2702 I2736 I2737 H2738 R2742 W2743 A2744 | I2700-R2740 PolarHBondContact O-NE 3.21Å; I2700-R2740 VanDerWaalsContact O-NE 3.15Å; I2700-R2740 PolarHBondContact O-NH1 2.84Å; I2700-R2740 PolarHBondContact O-NH2 3.06Å; I2700-R2740 VanDerWaalsContact O-NH2 3.08Å; E2701-R2740 VanDerWaalsContact C-CZ 3.49Å; E2701-R2740 VanDerWaalsContact C-NH1 3.27Å; E2701-R2740 VanDerWaalsContact C-NH2 3.3Å; E2701-R2740 VanDerWaalsContact O-CZ 3.26Å; E2701-R2740 PolarHBondContact O-NH1 3.14Å; E2701-R2740 PolarHBondContact O-NH2 3.17Å; E2702-R2740 VanDerWaalsContact CA-NH1 3.3Å; I2736-R2740 WeakPolarHBondContact O-CB 3.22Å; I2736-R2740 PolarHBondContact O-N 3.03Å; I2737-R2740 PolarHBondContact O-N 3.19Å; H2738-R2740 VanDerWaalsContact C-N 3.35Å; H2738-R2740 PolarHBondContact O-N 3.24Å; R2740-R2742 VanDerWaalsContact C-N 3.33Å; R2740-R2742 PolarHBondContact O-N 2.92Å; R2740-W2743 PolarHBondContact O-N 3.2Å; R2740-A2744 WeakPolarHBondContact O-CB 3.38Å; R2740-A2744 PolarHBondContact O-N 3.12Å |
| 2741 | T | 87.9 | Confident | 84.2 | Confident | 70.6 Ų | 70.6 | 75.8 Ų | 75.8 | 43% | 0.433 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 177.3 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | I2737 H2738 W2743 A2744 L2745 | I2737-T2741 VanDerWaalsContact O-CB 3.25Å; I2737-T2741 WeakPolarHBondContact O-CB 3.39Å; I2737-T2741 PolarHBondContact O-N 3.12Å; I2737-T2741 PolarHBondContact O-OG1 3.12Å; I2737-T2741 VanDerWaalsContact O-OG1 3.08Å; H2738-T2741 PolarHBondContact O-N 3.21Å; T2741-W2743 VanDerWaalsContact C-N 3.35Å; T2741-W2743 PolarHBondContact O-N 3.02Å; T2741-A2744 PolarHBondContact O-N 3.21Å; T2741-L2745 HydrophobicContact CG2-CD1 3.87Å; T2741-L2745 HydrophobicContact CG2-CG 4.34Å; T2741-L2745 WeakPolarHBondContact O-CB 3.36Å; T2741-L2745 VanDerWaalsContact O-CG 3.29Å; T2741-L2745 WeakPolarHBondContact O-CG 3.38Å; T2741-L2745 PolarHBondContact O-N 3.07Å |
| 2742 | R | 90.1 | Very high | 82.2 | Confident | 111.2 Ų | 111.2 | 76.7 Ų | 76.7 | 42% | 0.42 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 174.3 | -173 | 177.1 | 74.4 | 118.5 | 6.9 | 112 | T2671 N2672 H2738 I2739 R2740 S2746 | T2671-R2742 VanDerWaalsContact O-CZ 3.25Å; T2671-R2742 PolarHBondContact O-NH1 3.33Å; T2671-R2742 PolarHBondContact O-NH2 3.09Å; N2672-R2742 PolarHBondContact OD1-NH2 3.25Å; H2738-R2742 PolarHBondContact NE2-NE 3.09Å; H2738-R2742 VanDerWaalsContact O-CB 3.27Å; H2738-R2742 WeakPolarHBondContact O-CB 3.28Å; H2738-R2742 PolarHBondContact O-N 3.05Å; I2739-R2742 PolarHBondContact O-N 3.04Å; R2740-R2742 VanDerWaalsContact C-N 3.33Å; R2740-R2742 PolarHBondContact O-N 2.92Å; R2742-S2746 WeakPolarHBondContact O-CB 3.39Å; R2742-S2746 PolarHBondContact O-N 3.23Å; R2742-S2746 PolarHBondContact O-OG 3Å |
| 2743 | W | 88.9 | Confident | 80.2 | Confident | 92.6 Ų | 92.6 | 83.1 Ų | 83.1 | 35% | 0.351 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.5 | -45.7 | 176 | 175 | 81.8 | 0 | 0 | 0 | 111.9 | A2697 S2698 I2739 R2740 T2741 L2745 S2746 Q2747 | A2697-W2743 HydrophobicContact CB-CB 3.75Å; A2697-W2743 HydrophobicContact CB-CD2 4.46Å; A2697-W2743 HydrophobicContact CB-CG 3.86Å; S2698-W2743 VanDerWaalsContact CB-CZ2 3.41Å; I2739-W2743 WeakPolarHBondContact O-CB 3.34Å; I2739-W2743 PolarHBondContact O-N 3.15Å; R2740-W2743 PolarHBondContact O-N 3.2Å; T2741-W2743 VanDerWaalsContact C-N 3.35Å; T2741-W2743 PolarHBondContact O-N 3.02Å; W2743-L2745 PolarHBondContact O-N 3.15Å; W2743-S2746 WeakPolarHBondContact CA-OG 3.44Å; W2743-S2746 PolarHBondContact O-N 3.14Å; W2743-S2746 VanDerWaalsContact O-N 3.08Å; W2743-S2746 PolarHBondContact O-OG 3.21Å; W2743-Q2747 HydrophobicContact CD2-CG 4.44Å; W2743-Q2747 VanDerWaalsContact CE2-NE2 3.3Å; W2743-Q2747 HydrophobicContact CH2-CG 4.13Å; W2743-Q2747 HydrophobicContact CZ2-CG 3.89Å; W2743-Q2747 HydrophobicContact CZ3-CG 4.35Å; W2743-Q2747 WeakPolarHBondContact O-CG 3.46Å; W2743-Q2747 PolarHBondContact O-N 3.11Å; W2743-Q2747 PolarHBondContact O-NE2 3.21Å |
| 2744 | A | 84.1 | Confident | 78.2 | Confident | 53.2 Ų | 53.2 | 89.2 Ų | 89.2 | 44% | 0.44 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | R2740 T2741 S2746 Q2747 | R2740-A2744 WeakPolarHBondContact O-CB 3.38Å; R2740-A2744 PolarHBondContact O-N 3.12Å; T2741-A2744 PolarHBondContact O-N 3.21Å; A2744-S2746 PolarHBondContact O-N 3.19Å; A2744-S2746 VanDerWaalsContact O-N 3.16Å; A2744-Q2747 PolarHBondContact O-N 3.14Å; A2744-Q2747 VanDerWaalsContact O-N 3.16Å |
| 2745 | L | 85.9 | Confident | 76.4 | Confident | 141.8 Ų | 141.8 | 87.2 Ų | 87.2 | 74% | 0.742 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -12.8 | 175 | -68 | 172.6 | 0 | 0 | 0 | 113.8 | T2741 W2743 | T2741-L2745 HydrophobicContact CG2-CD1 3.87Å; T2741-L2745 HydrophobicContact CG2-CG 4.34Å; T2741-L2745 WeakPolarHBondContact O-CB 3.36Å; T2741-L2745 VanDerWaalsContact O-CG 3.29Å; T2741-L2745 WeakPolarHBondContact O-CG 3.38Å; T2741-L2745 PolarHBondContact O-N 3.07Å; W2743-L2745 PolarHBondContact O-N 3.15Å |
| 2746 | S | 85.4 | Confident | 74.7 | Confident | 79.2 Ų | 79.2 | 94.5 Ų | 94.5 | 55% | 0.554 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -6.7 | 175.9 | 74.8 | 0 | 0 | 0 | 0 | 113.9 | R2742 W2743 A2744 | R2742-S2746 WeakPolarHBondContact O-CB 3.39Å; R2742-S2746 PolarHBondContact O-N 3.23Å; R2742-S2746 PolarHBondContact O-OG 3Å; W2743-S2746 WeakPolarHBondContact CA-OG 3.44Å; W2743-S2746 PolarHBondContact O-N 3.14Å; W2743-S2746 VanDerWaalsContact O-N 3.08Å; W2743-S2746 PolarHBondContact O-OG 3.21Å; A2744-S2746 PolarHBondContact O-N 3.19Å; A2744-S2746 VanDerWaalsContact O-N 3.16Å |
| 2747 | Q | 80.1 | Confident | 73.3 | Confident | 88.4 Ų | 88.4 | 98.6 Ų | 98.6 | 41% | 0.413 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -78.2 | 139.3 | 172.1 | -60.3 | -47.1 | -65 | 0 | 0 | 109.7 | W2743 A2744 | W2743-Q2747 HydrophobicContact CD2-CG 4.44Å; W2743-Q2747 VanDerWaalsContact CE2-NE2 3.3Å; W2743-Q2747 HydrophobicContact CH2-CG 4.13Å; W2743-Q2747 HydrophobicContact CZ2-CG 3.89Å; W2743-Q2747 HydrophobicContact CZ3-CG 4.35Å; W2743-Q2747 WeakPolarHBondContact O-CG 3.46Å; W2743-Q2747 PolarHBondContact O-N 3.11Å; W2743-Q2747 PolarHBondContact O-NE2 3.21Å; A2744-Q2747 PolarHBondContact O-N 3.14Å; A2744-Q2747 VanDerWaalsContact O-N 3.16Å |
| 2748 | P | 73.9 | Confident | 72.1 | Confident | 95.6 Ų | 95.6 | 97.8 Ų | 97.8 | 62% | 0.621 | 53% | 0.531 | S | S | * | . | trans | -65.7 | 143.8 | 171.1 | 27.8 | -32.8 | 0 | 0 | 0 | 110.1 | T2750 | P2748-T2750 PolarHBondContact O-N 3.26Å; P2748-T2750 PolarHBondContact O-OG1 3.19Å; P2748-T2750 VanDerWaalsContact O-OG1 3.14Å | ||
| 2749 | D | 60.9 | Low | 71 | Confident | 172.4 Ų | 172.4 | 95 Ų | 95 | 92% | 0.922 | 52% | 0.523 | S | S | * | . | trans | -63 | 68.4 | 176.4 | -74.2 | -48.3 | 0 | 0 | 0 | 112.2 | P2751 | D2749-P2751 WeakPolarHBondContact O-CD 3.45Š| ||
| 2750 | T | 56 | Low | 69.8 | Low | 95.6 Ų | 95.6 | 98.9 Ų | 98.9 | 59% | 0.587 | 54% | 0.537 | S | S | * | . | trans | -91.1 | 115.7 | 175.6 | -44.7 | 0 | 0 | 0 | 0 | 106.2 | P2748 A2752 | P2748-T2750 PolarHBondContact O-N 3.26Å; P2748-T2750 PolarHBondContact O-OG1 3.19Å; P2748-T2750 VanDerWaalsContact O-OG1 3.14Å; T2750-A2752 PolarHBondContact O-N 3.18Å; T2750-A2752 VanDerWaalsContact O-N 3.12Å | ||
| 2751 | P | 52 | Low | 68.9 | Low | 110.4 Ų | 110.4 | 98.3 Ų | 98.3 | 72% | 0.717 | 54% | 0.54 | S | S | * | . | trans | -59.4 | 117.3 | 177.9 | 24.6 | -32.6 | 0 | 0 | 0 | 108.1 | D2749 I2753 | D2749-P2751 WeakPolarHBondContact O-CD 3.45Å; P2751-I2753 VanDerWaalsContact C-N 3.28Å; P2751-I2753 WeakPolarHBondContact O-CG1 3.32Å; P2751-I2753 PolarHBondContact O-N 3.2Å | ||
| 2752 | A | 51.5 | Low | 68.6 | Low | 87.8 Ų | 87.8 | 96.2 Ų | 96.2 | 73% | 0.726 | 53% | 0.527 | S | S | * | . | trans | -59.7 | 102.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | T2750 H2754 | T2750-A2752 PolarHBondContact O-N 3.18Å; T2750-A2752 VanDerWaalsContact O-N 3.12Å; A2752-H2754 PolarHBondContact O-N 3.23Å; A2752-H2754 VanDerWaalsContact O-N 3.1Å | ||
| 2753 | I | 50.9 | Low | 68.5 | Low | 134.6 Ų | 134.6 | 91.8 Ų | 91.8 | 69% | 0.69 | 51% | 0.513 | S | S | * | . | trans | -55.7 | 77.9 | -177.6 | -59.8 | 175.6 | 0 | 0 | 0 | 108.1 | P2751 A2755 | P2751-I2753 VanDerWaalsContact C-N 3.28Å; P2751-I2753 WeakPolarHBondContact O-CG1 3.32Å; P2751-I2753 PolarHBondContact O-N 3.2Å; I2753-A2755 PolarHBondContact O-N 3.24Å; I2753-A2755 VanDerWaalsContact O-N 3.11Å | ||
| 2754 | H | 51.1 | Low | 68.5 | Low | 135.2 Ų | 135.2 | 87.4 Ų | 87.4 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -61.9 | 117.8 | -175.9 | -72.9 | -73.9 | 0 | 0 | 0 | 112.1 | V1947 H1948 A2752 K2756 | V1947-H2754 HydrophobicContact CG1-CB 4.23Å; H1948-H2754 AromaticContact CE1-CD2 3.47Å; H1948-H2754 PolarHBondContact CE1-CD2 2.92Å; H1948-H2754 VanDerWaalsContact CE1-CD2 3.47Å; H1948-H2754 AromaticContact CE1-NE2 3.46Å; H1948-H2754 PolarHBondContact CE1-NE2 3.47Å; H1948-H2754 AromaticContact NE2-CD2 3.88Å; A2752-H2754 PolarHBondContact O-N 3.23Å; A2752-H2754 VanDerWaalsContact O-N 3.1Å; H2754-K2756 PolarHBondContact O-N 3.24Å |
| 2755 | A | 54.4 | Low | 68.8 | Low | 77 Ų | 77 | 86 Ų | 86 | 64% | 0.636 | 48% | 0.482 | S | S | * | . | trans | -49.7 | 129.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | V1947 I2753 I2757 | V1947-A2755 WeakPolarHBondContact CG2-O 3.27Å; I2753-A2755 PolarHBondContact O-N 3.24Å; I2753-A2755 VanDerWaalsContact O-N 3.11Å; A2755-I2757 VanDerWaalsContact C-N 3.3Å; A2755-I2757 WeakPolarHBondContact O-CG1 3.34Å; A2755-I2757 PolarHBondContact O-N 3.25Å | ||
| 2756 | K | 59 | Low | 69.1 | Low | 163 Ų | 163 | 80.5 Ų | 80.5 | 71% | 0.709 | 45% | 0.454 | S | S | * | . | trans | -72.8 | 82.1 | -172.3 | -105.4 | 176.9 | -177.7 | 174.2 | 0 | 110 | D1886 H2754 K2758 | D1886-K2756 IonicContact OD2-NZ 2.7Å; D1886-K2756 PolarHBondContact OD2-NZ 3.09Å; H2754-K2756 PolarHBondContact O-N 3.24Å; K2756-K2758 PolarHBondContact O-N 3.2Å; K2756-K2758 VanDerWaalsContact O-N 3.14Å | ||
| 2757 | I | 63.7 | Low | 69.4 | Low | 86 Ų | 86 | 76.8 Ų | 76.8 | 44% | 0.441 | 43% | 0.428 | S | S | . | . | trans | -64.7 | 113.2 | -179.5 | -57 | 178.6 | 0 | 0 | 0 | 109 | L1946 V1947 A2755 V2762 | L1946-I2757 HydrophobicContact CD2-CG2 3.97Å; L1946-I2757 HydrophobicContact CG-CG2 4.44Å; V1947-I2757 HydrophobicContact CG2-CB 4.1Å; V1947-I2757 HydrophobicContact CG2-CD1 4.12Å; V1947-I2757 HydrophobicContact CG2-CG1 4.06Å; A2755-I2757 VanDerWaalsContact C-N 3.3Å; A2755-I2757 WeakPolarHBondContact O-CG1 3.34Å; A2755-I2757 PolarHBondContact O-N 3.25Å; I2757-V2762 HydrophobicContact CD1-CG1 4.45Å; I2757-V2762 HydrophobicContact CG2-CB 4.15Å; I2757-V2762 HydrophobicContact CG2-CG1 3.52Å; I2757-V2762 VanDerWaalsContact CG2-CG1 3.45Å; I2757-V2762 HydrophobicContact CG2-CG2 3.5Å; I2757-V2762 VanDerWaalsContact CG2-CG2 3.46Å | ||
| 2758 | K | 65.8 | Low | 70.1 | Confident | 46.6 Ų | 46.6 | 72.7 Ų | 72.7 | 20% | 0.203 | 41% | 0.408 | C | S | . | . | trans | -86.2 | 151.8 | 165.3 | -54.7 | 171.9 | -176.3 | 172.9 | 0 | 107.9 | E1977 E2701 N2717 K2756 R2760 D2761 | E1977-K2758 IonicContact OE1-NZ 2.85Å; E1977-K2758 PolarHBondContact OE1-NZ 3.26Å; E1977-K2758 IonicContact OE2-NZ 4Å; E1977-K2758 PolarHBondContact OE2-NZ 3.41Å; E2701-K2758 IonicContact OE1-NZ 3.76Å; E2701-K2758 PolarHBondContact OE1-NZ 2.84Å; E2701-K2758 IonicContact OE2-NZ 3.09Å; E2701-K2758 PolarHBondContact OE2-NZ 3.08Å; N2717-K2758 PolarHBondContact OD1-NZ 3.09Å; K2756-K2758 PolarHBondContact O-N 3.2Å; K2756-K2758 VanDerWaalsContact O-N 3.14Å; K2758-R2760 HydrophobicContact CB-CG 4.19Å; K2758-R2760 PolarHBondContact O-N 2.93Å; K2758-R2760 VanDerWaalsContact O-N 3.12Å; K2758-D2761 WeakPolarHBondContact CA-OD2 3.42Å; K2758-D2761 VanDerWaalsContact CB-OD2 3.25Å; K2758-D2761 WeakPolarHBondContact CB-OD2 3.4Å; K2758-D2761 WeakPolarHBondContact CD-OD2 3.28Å; K2758-D2761 VanDerWaalsContact CG-OD2 3.27Å; K2758-D2761 WeakPolarHBondContact CG-OD2 3.37Å; K2758-D2761 PolarHBondContact N-OD2 3.05Å; K2758-D2761 IonicContact NZ-OD2 2.8Å; K2758-D2761 WeakPolarHBondContact O-CB 3.47Å; K2758-D2761 PolarHBondContact O-N 3.16Å | ||
| 2759 | P | 67.2 | Low | 71 | Confident | 59.6 Ų | 59.6 | 70 Ų | 70 | 39% | 0.387 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -54.7 | -29.4 | 176.5 | -26.9 | 34.6 | 0 | 0 | 0 | 113.7 | I1942 L1946 I1971 L1972 T1976 D2761 V2762 L2766 F2796 | I1942-P2759 HydrophobicContact CG2-CG 3.64Å; L1946-P2759 HydrophobicContact CD2-CB 4.43Å; L1946-P2759 HydrophobicContact CD2-CG 4.03Å; I1971-P2759 HydrophobicContact CG2-CG 4.13Å; L1972-P2759 HydrophobicContact CD2-CB 4.5Å; T1976-P2759 HydrophobicContact CG2-CG 4.03Å; P2759-D2761 VanDerWaalsContact C-N 3.27Å; P2759-D2761 PolarHBondContact O-N 3.1Å; P2759-V2762 PolarHBondContact O-N 3.07Å; P2759-L2766 HydrophobicContact CB-CD1 4.42Å; P2759-F2796 WeakPolarHBondContact O-CZ 3.46Å |
| 2760 | R | 67.5 | Low | 72.6 | Confident | 93 Ų | 93 | 61.8 Ų | 61.8 | 35% | 0.351 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -68.1 | -20.5 | 176.2 | 43.2 | -172.8 | -176.1 | 178.5 | 6.1 | 114.4 | E1977 E2701 N2717 D2718 N2719 K2758 P2763 F2796 | E1977-R2760 IonicContact OE2-CZ 2.72Å; E1977-R2760 IonicContact OE2-NH1 3.2Å; E1977-R2760 PolarHBondContact OE2-NH1 3.35Å; E2701-R2760 IonicContact OE2-NH2 3.61Å; E2701-R2760 PolarHBondContact OE2-NH2 3.43Å; N2717-R2760 PolarHBondContact OD1-NH2 3.25Å; D2718-R2760 PolarHBondContact O-NH1 3.14Å; D2718-R2760 VanDerWaalsContact O-NH1 3.08Å; N2719-R2760 PolarHBondContact OD1-NH1 2.93Å; N2719-R2760 PolarHBondContact OD1-NH2 3.23Å; K2758-R2760 HydrophobicContact CB-CG 4.19Å; K2758-R2760 PolarHBondContact O-N 2.93Å; K2758-R2760 VanDerWaalsContact O-N 3.12Å; R2760-P2763 WeakPolarHBondContact O-CD 3.42Å; R2760-F2796 HydrophobicContact CB-CE1 4.19Å; R2760-F2796 HydrophobicContact CG-CE1 4.15Å; R2760-F2796 WeakPolarHBondContact O-CE1 3.33Å |
| 2761 | D | 71 | Confident | 74.4 | Confident | 70.6 Ų | 70.6 | 57.3 Ų | 57.3 | 38% | 0.378 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -92.5 | -8.1 | -174.1 | -43.9 | -29.3 | 0 | 0 | 0 | 111.7 | K2758 P2759 P2763 | K2758-D2761 WeakPolarHBondContact CA-OD2 3.42Å; K2758-D2761 VanDerWaalsContact CB-OD2 3.25Å; K2758-D2761 WeakPolarHBondContact CB-OD2 3.4Å; K2758-D2761 WeakPolarHBondContact CD-OD2 3.28Å; K2758-D2761 VanDerWaalsContact CG-OD2 3.27Å; K2758-D2761 WeakPolarHBondContact CG-OD2 3.37Å; K2758-D2761 PolarHBondContact N-OD2 3.05Å; K2758-D2761 IonicContact NZ-OD2 2.8Å; K2758-D2761 WeakPolarHBondContact O-CB 3.47Å; K2758-D2761 PolarHBondContact O-N 3.16Å; P2759-D2761 VanDerWaalsContact C-N 3.27Å; P2759-D2761 PolarHBondContact O-N 3.1Å; D2761-P2763 VanDerWaalsContact C-CD 3.45Å |
| 2762 | V | 82.1 | Confident | 76.4 | Confident | 25.8 Ų | 25.8 | 52.8 Ų | 52.8 | 16% | 0.156 | 29% | 0.287 | C | S | . | . | trans | -133 | 49.2 | -178.2 | -70.4 | 0 | 0 | 0 | 0 | 114.7 | L1946 I1950 I2757 P2759 G2764 T2765 L2766 E2837 | L1946-V2762 HydrophobicContact CD2-CG2 4.23Å; I1950-V2762 HydrophobicContact CD1-CG2 4.29Å; I2757-V2762 HydrophobicContact CD1-CG1 4.45Å; I2757-V2762 HydrophobicContact CG2-CB 4.15Å; I2757-V2762 HydrophobicContact CG2-CG1 3.52Å; I2757-V2762 VanDerWaalsContact CG2-CG1 3.45Å; I2757-V2762 HydrophobicContact CG2-CG2 3.5Å; I2757-V2762 VanDerWaalsContact CG2-CG2 3.46Å; P2759-V2762 PolarHBondContact O-N 3.07Å; V2762-G2764 VanDerWaalsContact C-N 3.3Å; V2762-G2764 PolarHBondContact O-N 3.07Å; V2762-T2765 PolarHBondContact O-N 3.18Å; V2762-L2766 HydrophobicContact CG2-CD1 4.4Å; V2762-L2766 HydrophobicContact CG2-CG 4.46Å; V2762-L2766 VanDerWaalsContact O-CG 3.3Å; V2762-L2766 WeakPolarHBondContact O-CG 3.34Å; V2762-L2766 PolarHBondContact O-N 3.12Å; V2762-E2837 WeakPolarHBondContact CA-OE1 3.31Å; V2762-E2837 WeakPolarHBondContact CB-OE1 3.48Å | ||
| 2763 | P | 86.6 | Confident | 78.5 | Confident | 19.2 Ų | 19.2 | 50 Ų | 50 | 13% | 0.125 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.3 | -35.8 | 178.1 | 25.8 | -34.2 | 0 | 0 | 0 | 113.2 | R2760 D2761 T2765 L2767 F2796 L2834 E2837 | R2760-P2763 WeakPolarHBondContact O-CD 3.42Å; D2761-P2763 VanDerWaalsContact C-CD 3.45Å; P2763-T2765 PolarHBondContact O-N 3.06Å; P2763-L2767 VanDerWaalsContact O-CB 3.27Å; P2763-L2767 WeakPolarHBondContact O-CB 3.45Å; P2763-L2767 PolarHBondContact O-N 3.01Å; P2763-F2796 HydrophobicContact CB-CD1 4.25Å; P2763-F2796 HydrophobicContact CB-CD2 4.18Å; P2763-F2796 HydrophobicContact CB-CE1 3.91Å; P2763-F2796 HydrophobicContact CB-CE2 4.03Å; P2763-F2796 HydrophobicContact CB-CG 4.45Å; P2763-F2796 HydrophobicContact CB-CZ 4.08Å; P2763-F2796 HydrophobicContact CG-CE1 4.37Å; P2763-F2796 HydrophobicContact CG-CZ 4.5Å; P2763-L2834 HydrophobicContact CB-CD2 3.75Å; P2763-L2834 HydrophobicContact CG-CD2 3.43Å; P2763-L2834 VanDerWaalsContact CG-CD2 3.43Å; P2763-E2837 WeakPolarHBondContact CD-OE2 3.32Å |
| 2764 | G | 88.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.2 | -41.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V2762 L2767 N2768 E2837 | V2762-G2764 VanDerWaalsContact C-N 3.3Å; V2762-G2764 PolarHBondContact O-N 3.07Å; G2764-L2767 PolarHBondContact O-N 3.06Å; G2764-N2768 WeakPolarHBondContact O-CB 3.29Å; G2764-N2768 PolarHBondContact O-N 2.96Å; G2764-N2768 VanDerWaalsContact O-N 3.07Å; G2764-E2837 VanDerWaalsContact CA-CD 3.45Å; G2764-E2837 WeakPolarHBondContact CA-OE1 3.41Å; G2764-E2837 WeakPolarHBondContact CA-OE2 3.28Å; G2764-E2837 PolarHBondContact N-OE1 3.19Å; G2764-E2837 VanDerWaalsContact N-OE1 3.13Å; G2764-E2837 PolarHBondContact N-OE2 3.37Å |
| 2765 | T | 90.4 | Very high | 82.4 | Confident | 24.2 Ų | 24.2 | 37.9 Ų | 37.9 | 15% | 0.148 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.9 | -47.4 | 176.3 | -64.3 | 0 | 0 | 0 | 0 | 111 | I1950 V2762 P2763 L2767 N2768 I2769 E2837 E2841 | I1950-T2765 HydrophobicContact CD1-CG2 3.44Å; I1950-T2765 VanDerWaalsContact CD1-CG2 3.44Å; I1950-T2765 HydrophobicContact CG1-CG2 3.76Å; V2762-T2765 PolarHBondContact O-N 3.18Å; P2763-T2765 PolarHBondContact O-N 3.06Å; T2765-L2767 VanDerWaalsContact C-N 3.33Å; T2765-L2767 PolarHBondContact O-N 2.98Å; T2765-N2768 PolarHBondContact O-N 2.96Å; T2765-I2769 HydrophobicContact CG2-CD1 4.06Å; T2765-I2769 WeakPolarHBondContact O-CG1 3.39Å; T2765-I2769 PolarHBondContact O-N 3.13Å; T2765-I2769 VanDerWaalsContact O-N 3.07Å; T2765-E2837 WeakPolarHBondContact CB-OE1 3.41Å; T2765-E2837 PolarHBondContact N-OE1 3.24Å; T2765-E2837 PolarHBondContact OG1-OE1 3.15Å; T2765-E2837 VanDerWaalsContact OG1-OE1 3.11Å; T2765-E2841 HydrophobicContact CG2-CG 3.93Å; T2765-E2841 VanDerWaalsContact CG2-OE2 3.29Å; T2765-E2841 WeakPolarHBondContact CG2-OE2 3.38Å; T2765-E2841 PolarHBondContact OG1-OE2 3.31Å; T2765-E2841 VanDerWaalsContact OG1-OE2 3.05Å |
| 2766 | L | 92 | Very high | 84.2 | Confident | 25.8 Ų | 25.8 | 35 Ų | 35 | 14% | 0.135 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.6 | -36.4 | 179 | -64.1 | 173.6 | 0 | 0 | 0 | 112 | L1968 P2759 V2762 I2769 A2770 L2792 | L1968-L2766 HydrophobicContact CD1-CD2 3.81Å; L1968-L2766 HydrophobicContact CD2-CD2 4.08Å; P2759-L2766 HydrophobicContact CB-CD1 4.42Å; V2762-L2766 HydrophobicContact CG2-CD1 4.4Å; V2762-L2766 HydrophobicContact CG2-CG 4.46Å; V2762-L2766 VanDerWaalsContact O-CG 3.3Å; V2762-L2766 WeakPolarHBondContact O-CG 3.34Å; V2762-L2766 PolarHBondContact O-N 3.12Å; L2766-I2769 PolarHBondContact O-N 2.95Å; L2766-A2770 PolarHBondContact O-N 3.38Å; L2766-L2792 HydrophobicContact CB-CD1 3.94Å; L2766-L2792 HydrophobicContact CB-CD2 3.63Å; L2766-L2792 HydrophobicContact CB-CG 4.44Å; L2766-L2792 HydrophobicContact CD1-CD2 3.88Å; L2766-L2792 HydrophobicContact CG-CD2 4.39Å; L2766-L2792 WeakPolarHBondContact O-CD1 3.45Å |
| 2767 | L | 93.5 | Very high | 85.7 | Confident | 1.6 Ų | 1.6 | 32.4 Ų | 32.4 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.9 | -42.9 | 173.8 | 179.6 | 63.8 | 0 | 0 | 0 | 112 | P2763 G2764 T2765 A2770 L2771 L2789 L2827 L2834 F2838 W2864 | P2763-L2767 VanDerWaalsContact O-CB 3.27Å; P2763-L2767 WeakPolarHBondContact O-CB 3.45Å; P2763-L2767 PolarHBondContact O-N 3.01Å; G2764-L2767 PolarHBondContact O-N 3.06Å; T2765-L2767 VanDerWaalsContact C-N 3.33Å; T2765-L2767 PolarHBondContact O-N 2.98Å; L2767-A2770 PolarHBondContact O-N 3.1Å; L2767-L2771 HydrophobicContact CD1-CD1 4.05Å; L2767-L2771 HydrophobicContact CD1-CG 4.08Å; L2767-L2771 HydrophobicContact CG-CD1 4.07Å; L2767-L2771 HydrophobicContact CG-CG 4.44Å; L2767-L2771 WeakPolarHBondContact O-CG 3.4Å; L2767-L2771 PolarHBondContact O-N 3.2Å; L2767-L2789 HydrophobicContact CD1-CD1 3.69Å; L2767-L2827 HydrophobicContact CD1-CD1 3.62Å; L2767-L2827 HydrophobicContact CD2-CD1 3.83Å; L2767-L2827 HydrophobicContact CG-CD1 4.35Å; L2767-L2834 HydrophobicContact CD2-CD1 4.39Å; L2767-F2838 HydrophobicContact CB-CD2 4.23Å; L2767-F2838 HydrophobicContact CB-CE2 4.36Å; L2767-F2838 HydrophobicContact CD2-CD2 3.88Å; L2767-F2838 HydrophobicContact CD2-CE2 3.98Å; L2767-F2838 HydrophobicContact CG-CD2 4.03Å; L2767-F2838 HydrophobicContact CG-CE2 3.84Å; L2767-W2864 HydrophobicContact CD2-CH2 4.39Å; L2767-W2864 HydrophobicContact CD2-CZ2 4.14Å |
| 2768 | N | 94.3 | Very high | 87 | Confident | 2.2 Ų | 2.2 | 30.7 Ų | 30.7 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.3 | -44.4 | 175.3 | -178.7 | 59.5 | 0 | 0 | 0 | 111.6 | Y1954 G2764 T2765 A2770 L2771 L2772 F2838 E2841 C2842 Y2860 | Y1954-N2768 PolarHBondContact OH-ND2 3.18Å; G2764-N2768 WeakPolarHBondContact O-CB 3.29Å; G2764-N2768 PolarHBondContact O-N 2.96Å; G2764-N2768 VanDerWaalsContact O-N 3.07Å; T2765-N2768 PolarHBondContact O-N 2.96Å; N2768-A2770 VanDerWaalsContact C-N 3.29Å; N2768-A2770 PolarHBondContact O-N 3.05Å; N2768-L2771 PolarHBondContact O-N 3.14Å; N2768-L2772 VanDerWaalsContact O-CB 3.25Å; N2768-L2772 WeakPolarHBondContact O-CB 3.34Å; N2768-L2772 PolarHBondContact O-N 3.18Å; N2768-F2838 HydrophobicContact CB-CD2 4.14Å; N2768-F2838 HydrophobicContact CB-CE2 3.98Å; N2768-E2841 HydrophobicContact CB-CB 4.43Å; N2768-E2841 HydrophobicContact CB-CG 4.16Å; N2768-E2841 PolarHBondContact ND2-O 3.45Å; N2768-C2842 VanDerWaalsContact OD1-CA 3.28Å; N2768-C2842 WeakPolarHBondContact OD1-CA 3.26Å; N2768-C2842 VanDerWaalsContact OD1-CB 3.3Å; N2768-C2842 WeakPolarHBondContact OD1-CB 3.42Å; N2768-C2842 PolarHBondContact OD1-SG 2.98Å; N2768-Y2860 PolarHBondContact OD1-OH 3.11Å; N2768-Y2860 VanDerWaalsContact OD1-OH 3.1Å |
| 2769 | I | 93.3 | Very high | 88.2 | Confident | 40.4 Ų | 40.4 | 31.8 Ų | 31.8 | 21% | 0.207 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.6 | -43.1 | 175 | -69.3 | 167.3 | 0 | 0 | 0 | 110.7 | I1950 Y1954 M1965 T2765 L2766 N2773 L2788 | I1950-I2769 HydrophobicContact CG1-CD1 3.91Å; Y1954-I2769 HydrophobicContact CE2-CD1 4.27Å; Y1954-I2769 HydrophobicContact CE2-CG1 3.92Å; Y1954-I2769 VanDerWaalsContact OH-CG1 3.27Å; Y1954-I2769 WeakPolarHBondContact OH-CG1 3.38Å; M1965-I2769 HydrophobicContact CE-CG2 3.92Å; M1965-I2769 WeakPolarHBondContact CE-O 3.4Å; T2765-I2769 HydrophobicContact CG2-CD1 4.06Å; T2765-I2769 WeakPolarHBondContact O-CG1 3.39Å; T2765-I2769 PolarHBondContact O-N 3.13Å; T2765-I2769 VanDerWaalsContact O-N 3.07Å; L2766-I2769 PolarHBondContact O-N 2.95Å; I2769-N2773 VanDerWaalsContact O-CB 3.32Å; I2769-N2773 WeakPolarHBondContact O-CB 3.36Å; I2769-N2773 PolarHBondContact O-N 3.24Å; I2769-N2773 PolarHBondContact O-ND2 3.16Å; I2769-L2788 HydrophobicContact CG2-CD2 4.29Å |
| 2770 | A | 93.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.5 | -52.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L2766 L2767 N2768 L2772 N2773 L2774 L2788 L2789 L2792 | L2766-A2770 PolarHBondContact O-N 3.38Å; L2767-A2770 PolarHBondContact O-N 3.1Å; N2768-A2770 VanDerWaalsContact C-N 3.29Å; N2768-A2770 PolarHBondContact O-N 3.05Å; A2770-L2772 PolarHBondContact O-N 3.03Å; A2770-N2773 PolarHBondContact O-N 3.15Å; A2770-L2774 VanDerWaalsContact O-CB 3.24Å; A2770-L2774 WeakPolarHBondContact O-CB 3.33Å; A2770-L2774 PolarHBondContact O-N 3.06Å; A2770-L2788 HydrophobicContact CB-CD2 4.13Å; A2770-L2788 HydrophobicContact CB-CG 4.26Å; A2770-L2789 HydrophobicContact CB-CB 4.24Å; A2770-L2789 HydrophobicContact CB-CD1 4.4Å; A2770-L2792 HydrophobicContact CB-CD1 4.15Å |
| 2771 | L | 94.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.7 | -38.1 | -176.1 | -66.6 | 178 | 0 | 0 | 0 | 112.9 | L2767 N2768 L2789 I2820 I2823 F2838 Y2860 | L2767-L2771 HydrophobicContact CD1-CD1 4.05Å; L2767-L2771 HydrophobicContact CD1-CG 4.08Å; L2767-L2771 HydrophobicContact CG-CD1 4.07Å; L2767-L2771 HydrophobicContact CG-CG 4.44Å; L2767-L2771 WeakPolarHBondContact O-CG 3.4Å; L2767-L2771 PolarHBondContact O-N 3.2Å; N2768-L2771 PolarHBondContact O-N 3.14Å; L2771-L2789 HydrophobicContact CD2-CD1 4.42Å; L2771-L2789 HydrophobicContact CD2-CD2 4.39Å; L2771-I2820 HydrophobicContact CB-CG2 4.19Å; L2771-I2820 HydrophobicContact CD2-CG2 4.16Å; L2771-I2823 HydrophobicContact CD2-CG2 4.01Å; L2771-F2838 HydrophobicContact CD1-CE2 3.94Å; L2771-F2838 HydrophobicContact CD1-CZ 3.87Å; L2771-Y2860 HydrophobicContact CD1-CD2 4.44Å |
| 2772 | L | 94 | Very high | 91.6 | Very high | 15.2 Ų | 15.2 | 28.9 Ų | 28.9 | 8% | 0.08 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.9 | -51 | 177.1 | -178 | 62.1 | 0 | 0 | 0 | 111.7 | Y1954 N2768 A2770 L2774 G2775 M2853 C2857 Y2860 | Y1954-L2772 HydrophobicContact CD1-CD2 3.72Å; Y1954-L2772 HydrophobicContact CE1-CD2 3.49Å; Y1954-L2772 VanDerWaalsContact CE1-CD2 3.49Å; N2768-L2772 VanDerWaalsContact O-CB 3.25Å; N2768-L2772 WeakPolarHBondContact O-CB 3.34Å; N2768-L2772 PolarHBondContact O-N 3.18Å; A2770-L2772 PolarHBondContact O-N 3.03Å; L2772-L2774 VanDerWaalsContact C-N 3.28Å; L2772-L2774 PolarHBondContact O-N 3.08Å; L2772-G2775 PolarHBondContact O-N 3.22Å; L2772-G2775 VanDerWaalsContact O-N 3.1Å; L2772-M2853 HydrophobicContact CD1-CB 4.23Å; L2772-M2853 HydrophobicContact CD1-CE 3.7Å; L2772-M2853 HydrophobicContact CD2-CE 4.26Å; L2772-M2853 HydrophobicContact CG-CE 3.78Å; L2772-M2853 VanDerWaalsContact O-CE 3.31Å; L2772-M2853 WeakPolarHBondContact O-CE 3.4Å; L2772-C2857 VanDerWaalsContact CD1-SG 3.51Å; L2772-C2857 WeakPolarHBondContact CD1-SG 3.36Å; L2772-Y2860 HydrophobicContact CD1-CE1 4.41Å |
| 2773 | N | 93.8 | Very high | 92.1 | Very high | 29.6 Ų | 29.6 | 28.8 Ų | 28.8 | 16% | 0.158 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.6 | -23.6 | -176.8 | -75.5 | -79.1 | 0 | 0 | 0 | 113 | G1953 R1961 M1965 I2769 A2770 G2775 S2776 L2781 A2785 | G1953-N2773 PolarHBondContact O-ND2 3.08Å; G1953-N2773 VanDerWaalsContact O-ND2 3.09Å; R1961-N2773 PolarHBondContact NE-OD1 3.26Å; R1961-N2773 PolarHBondContact NH2-OD1 2.96Å; M1965-N2773 HydrophobicContact CE-CB 3.47Å; M1965-N2773 VanDerWaalsContact CE-CB 3.47Å; M1965-N2773 HydrophobicContact SD-CB 3.48Å; M1965-N2773 WeakPolarHBondContact SD-CB 3.34Å; M1965-N2773 VanDerWaalsContact SD-CG 3.6Å; I2769-N2773 VanDerWaalsContact O-CB 3.32Å; I2769-N2773 WeakPolarHBondContact O-CB 3.36Å; I2769-N2773 PolarHBondContact O-N 3.24Å; I2769-N2773 PolarHBondContact O-ND2 3.16Å; A2770-N2773 PolarHBondContact O-N 3.15Å; N2773-G2775 PolarHBondContact O-N 3.09Å; N2773-S2776 VanDerWaalsContact O-CB 3.28Å; N2773-S2776 WeakPolarHBondContact O-CB 3.42Å; N2773-S2776 PolarHBondContact O-N 3.04Å; N2773-S2776 VanDerWaalsContact O-N 3.11Å; N2773-L2781 HydrophobicContact CB-CD1 4.01Å; N2773-L2781 HydrophobicContact CB-CD2 4.5Å; N2773-L2781 HydrophobicContact CB-CG 4.14Å; N2773-L2781 WeakPolarHBondContact OD1-CD1 3.47Å; N2773-L2781 WeakPolarHBondContact OD1-CD2 3.35Å; N2773-A2785 HydrophobicContact CB-CB 3.83Å |
| 2774 | L | 93.7 | Very high | 92.3 | Very high | 0.4 Ų | 0.4 | 29.6 Ų | 29.6 | 0% | 0.002 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -19.6 | 172.6 | -173.4 | 55.4 | 0 | 0 | 0 | 112.7 | A2770 L2772 R2782 A2785 L2789 I2812 N2816 F2819 I2820 | A2770-L2774 VanDerWaalsContact O-CB 3.24Å; A2770-L2774 WeakPolarHBondContact O-CB 3.33Å; A2770-L2774 PolarHBondContact O-N 3.06Å; L2772-L2774 VanDerWaalsContact C-N 3.28Å; L2772-L2774 PolarHBondContact O-N 3.08Å; L2774-R2782 HydrophobicContact CD1-CB 4.45Å; L2774-R2782 WeakPolarHBondContact CD1-O 3.24Å; L2774-R2782 VanDerWaalsContact O-CD 3.25Å; L2774-R2782 WeakPolarHBondContact O-CD 3.39Å; L2774-R2782 VanDerWaalsContact O-CG 3.23Å; L2774-R2782 WeakPolarHBondContact O-CG 3.34Å; L2774-A2785 HydrophobicContact CB-CB 4.11Å; L2774-A2785 HydrophobicContact CD1-CB 4.48Å; L2774-L2789 HydrophobicContact CD2-CD2 4.39Å; L2774-I2812 HydrophobicContact CD1-CD1 3.86Å; L2774-I2812 HydrophobicContact CD1-CG2 4.5Å; L2774-N2816 PolarHBondContact O-ND2 2.96Å; L2774-N2816 PolarHBondContact O-OD1 2.98Å; L2774-F2819 HydrophobicContact CD2-CD1 4.22Å; L2774-F2819 HydrophobicContact CD2-CE1 4.07Å; L2774-I2820 HydrophobicContact CB-CD1 4.14Å; L2774-I2820 HydrophobicContact CB-CG1 4.41Å; L2774-I2820 HydrophobicContact CD2-CD1 4.49Å; L2774-I2820 HydrophobicContact CD2-CG1 4Å; L2774-I2820 HydrophobicContact CG-CD1 4.11Å; L2774-I2820 HydrophobicContact CG-CG1 4.05Å |
| 2775 | G | 91.3 | Very high | 92.6 | Very high | 14.8 Ų | 14.8 | 29.7 Ų | 29.7 | 15% | 0.153 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 2.3 | 172 | 0 | 0 | 0 | 0 | 0 | 115.9 | L2772 N2773 M2853 | L2772-G2775 PolarHBondContact O-N 3.22Å; L2772-G2775 VanDerWaalsContact O-N 3.1Å; N2773-G2775 PolarHBondContact O-N 3.09Å; G2775-M2853 VanDerWaalsContact O-CE 3.23Å; G2775-M2853 WeakPolarHBondContact O-CE 3.33Å |
| 2776 | S | 92.4 | Very high | 92.8 | Very high | 18 Ų | 18 | 29.8 Ų | 29.8 | 13% | 0.126 | 18% | 0.18 | C | C | . | . | trans | -64.9 | 153.4 | -176.9 | -174.5 | 0 | 0 | 0 | 0 | 112.9 | N2773 D2778 L2781 R2782 | N2773-S2776 VanDerWaalsContact O-CB 3.28Å; N2773-S2776 WeakPolarHBondContact O-CB 3.42Å; N2773-S2776 PolarHBondContact O-N 3.04Å; N2773-S2776 VanDerWaalsContact O-N 3.11Å; S2776-D2778 VanDerWaalsContact C-N 3.3Å; S2776-D2778 PolarHBondContact O-N 3.15Å; S2776-D2778 PolarHBondContact OG-N 3.08Å; S2776-L2781 WeakPolarHBondContact OG-CD2 3.21Å; S2776-R2782 WeakPolarHBondContact O-CD 3.32Å; S2776-R2782 VanDerWaalsContact O-CG 3.27Å; S2776-R2782 WeakPolarHBondContact O-CG 3.44Å; S2776-R2782 PolarHBondContact O-NE 3.19Å; S2776-R2782 VanDerWaalsContact O-NE 3.12Å | ||
| 2777 | S | 90.5 | Very high | 92.8 | Very high | 108 Ų | 108 | 29.7 Ų | 29.7 | 76% | 0.755 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -64.3 | -32.8 | 174.4 | 53.1 | 0 | 0 | 0 | 0 | 113 | P2779 R2782 | S2777-P2779 WeakPolarHBondContact O-CD 3.26Å; S2777-R2782 PolarHBondContact O-NH2 3.29Å |
| 2778 | D | 91.3 | Very high | 92.7 | Very high | 50.6 Ų | 50.6 | 31.4 Ų | 31.4 | 27% | 0.271 | 19% | 0.188 | S | C | . | . | trans | -69.5 | 123.9 | -179.2 | 176.5 | 30.5 | 0 | 0 | 0 | 112.6 | P1958 S2776 N2780 L2781 R2782 | P1958-D2778 HydrophobicContact CB-CB 4.01Å; S2776-D2778 VanDerWaalsContact C-N 3.3Å; S2776-D2778 PolarHBondContact O-N 3.15Å; S2776-D2778 PolarHBondContact OG-N 3.08Å; D2778-N2780 VanDerWaalsContact C-N 3.28Å; D2778-N2780 PolarHBondContact O-N 3.19Å; D2778-N2780 WeakPolarHBondContact OD1-CA 3.47Å; D2778-N2780 WeakPolarHBondContact OD1-CB 3.31Å; D2778-N2780 PolarHBondContact OD1-N 3.29Å; D2778-N2780 PolarHBondContact OD1-ND2 3.31Å; D2778-N2780 WeakPolarHBondContact OD2-CA 3.4Å; D2778-N2780 WeakPolarHBondContact OD2-CB 3.33Å; D2778-N2780 PolarHBondContact OD2-N 3.21Å; D2778-L2781 HydrophobicContact CB-CB 4.05Å; D2778-L2781 PolarHBondContact O-N 2.95Å; D2778-L2781 WeakPolarHBondContact OD1-CB 3.27Å; D2778-L2781 PolarHBondContact OD1-N 3.32Å; D2778-L2781 VanDerWaalsContact OD2-CB 3.23Å; D2778-L2781 WeakPolarHBondContact OD2-CB 3.35Å; D2778-L2781 PolarHBondContact OD2-N 3.02Å; D2778-R2782 WeakPolarHBondContact O-CG 3.45Å; D2778-R2782 PolarHBondContact O-N 3.32Å; D2778-R2782 VanDerWaalsContact O-N 3.1Å; D2778-R2782 PolarHBondContact O-NE 3.23Å | ||
| 2779 | P | 91.3 | Very high | 92.6 | Very high | 69.2 Ų | 69.2 | 31.3 Ų | 31.3 | 45% | 0.449 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66.2 | -31.9 | 178.1 | 18.3 | -22.9 | 0 | 0 | 0 | 113.8 | S2777 R2782 S2783 | S2777-P2779 WeakPolarHBondContact O-CD 3.26Å; P2779-R2782 PolarHBondContact O-N 3.19Å; P2779-S2783 WeakPolarHBondContact O-CB 3.47Å; P2779-S2783 PolarHBondContact O-N 2.93Å; P2779-S2783 VanDerWaalsContact O-N 3.16Å; P2779-S2783 PolarHBondContact O-OG 3.2Å; P2779-S2783 VanDerWaalsContact O-OG 3.09Å |
| 2780 | N | 90.2 | Very high | 92.4 | Very high | 108.4 Ų | 108.4 | 29.4 Ų | 29.4 | 58% | 0.58 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -69.6 | -47 | -178.6 | -58.3 | -60.8 | 0 | 0 | 0 | 110.3 | Q1959 D2778 R2782 S2783 A2784 | Q1959-N2780 PolarHBondContact OE1-ND2 3.19Å; D2778-N2780 VanDerWaalsContact C-N 3.28Å; D2778-N2780 PolarHBondContact O-N 3.19Å; D2778-N2780 WeakPolarHBondContact OD1-CA 3.47Å; D2778-N2780 WeakPolarHBondContact OD1-CB 3.31Å; D2778-N2780 PolarHBondContact OD1-N 3.29Å; D2778-N2780 PolarHBondContact OD1-ND2 3.31Å; D2778-N2780 WeakPolarHBondContact OD2-CA 3.4Å; D2778-N2780 WeakPolarHBondContact OD2-CB 3.33Å; D2778-N2780 PolarHBondContact OD2-N 3.21Å; N2780-R2782 VanDerWaalsContact C-N 3.32Å; N2780-R2782 PolarHBondContact O-N 3.06Å; N2780-S2783 WeakPolarHBondContact O-CB 3.34Å; N2780-S2783 PolarHBondContact O-N 3.15Å; N2780-A2784 WeakPolarHBondContact O-CB 3.47Å; N2780-A2784 PolarHBondContact O-N 3.28Å |
| 2781 | L | 92.2 | Very high | 92.1 | Very high | 37.4 Ų | 37.4 | 30.4 Ų | 30.4 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.7 | -39.9 | 175.3 | -178.5 | 52.9 | 0 | 0 | 0 | 112.1 | P1958 R1961 A1962 M1965 N2773 S2776 D2778 S2783 A2784 A2785 | P1958-L2781 HydrophobicContact CB-CD2 3.91Å; R1961-L2781 HydrophobicContact CB-CD1 3.65Å; R1961-L2781 HydrophobicContact CB-CD2 4.05Å; A1962-L2781 HydrophobicContact CB-CB 4.2Å; A1962-L2781 HydrophobicContact CB-CD1 4.01Å; M1965-L2781 HydrophobicContact SD-CD1 3.53Å; M1965-L2781 VanDerWaalsContact SD-CD1 3.53Å; N2773-L2781 HydrophobicContact CB-CD1 4.01Å; N2773-L2781 HydrophobicContact CB-CD2 4.5Å; N2773-L2781 HydrophobicContact CB-CG 4.14Å; N2773-L2781 WeakPolarHBondContact OD1-CD1 3.47Å; N2773-L2781 WeakPolarHBondContact OD1-CD2 3.35Å; S2776-L2781 WeakPolarHBondContact OG-CD2 3.21Å; D2778-L2781 HydrophobicContact CB-CB 4.05Å; D2778-L2781 PolarHBondContact O-N 2.95Å; D2778-L2781 WeakPolarHBondContact OD1-CB 3.27Å; D2778-L2781 PolarHBondContact OD1-N 3.32Å; D2778-L2781 VanDerWaalsContact OD2-CB 3.23Å; D2778-L2781 WeakPolarHBondContact OD2-CB 3.35Å; D2778-L2781 PolarHBondContact OD2-N 3.02Å; L2781-S2783 VanDerWaalsContact C-N 3.35Å; L2781-S2783 PolarHBondContact O-N 3.01Å; L2781-A2784 PolarHBondContact O-N 3.21Å; L2781-A2785 VanDerWaalsContact O-CB 3.26Å; L2781-A2785 WeakPolarHBondContact O-CB 3.43Å; L2781-A2785 PolarHBondContact O-N 2.96Å |
| 2782 | R | 93.5 | Very high | 91.8 | Very high | 15.2 Ų | 15.2 | 30.7 Ų | 30.7 | 6% | 0.057 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.3 | -43.1 | 174.5 | -72.9 | -171.8 | -83.7 | 123.5 | 6.8 | 112.8 | L2774 S2776 S2777 D2778 P2779 N2780 A2784 A2785 Y2786 I2812 P2813 G2814 | L2774-R2782 HydrophobicContact CD1-CB 4.45Å; L2774-R2782 WeakPolarHBondContact CD1-O 3.24Å; L2774-R2782 VanDerWaalsContact O-CD 3.25Å; L2774-R2782 WeakPolarHBondContact O-CD 3.39Å; L2774-R2782 VanDerWaalsContact O-CG 3.23Å; L2774-R2782 WeakPolarHBondContact O-CG 3.34Å; S2776-R2782 WeakPolarHBondContact O-CD 3.32Å; S2776-R2782 VanDerWaalsContact O-CG 3.27Å; S2776-R2782 WeakPolarHBondContact O-CG 3.44Å; S2776-R2782 PolarHBondContact O-NE 3.19Å; S2776-R2782 VanDerWaalsContact O-NE 3.12Å; S2777-R2782 PolarHBondContact O-NH2 3.29Å; D2778-R2782 WeakPolarHBondContact O-CG 3.45Å; D2778-R2782 PolarHBondContact O-N 3.32Å; D2778-R2782 VanDerWaalsContact O-N 3.1Å; D2778-R2782 PolarHBondContact O-NE 3.23Å; P2779-R2782 PolarHBondContact O-N 3.19Å; N2780-R2782 VanDerWaalsContact C-N 3.32Å; N2780-R2782 PolarHBondContact O-N 3.06Å; R2782-A2784 VanDerWaalsContact C-N 3.3Å; R2782-A2784 PolarHBondContact O-N 3.44Å; R2782-A2785 PolarHBondContact O-N 3.34Å; R2782-Y2786 WeakPolarHBondContact O-CB 3.32Å; R2782-Y2786 PolarHBondContact O-N 3.17Å; R2782-I2812 HydrophobicContact CB-CB 4.41Å; R2782-I2812 HydrophobicContact CB-CD1 4.32Å; R2782-I2812 VanDerWaalsContact NH1-C 3.32Å; R2782-I2812 PolarHBondContact NH1-O 2.91Å; R2782-I2812 PolarHBondContact NH2-O 2.94Å; R2782-I2812 WeakPolarHBondContact O-CD1 3.43Å; R2782-P2813 PolarHBondContact NH1-O 3.11Å; R2782-G2814 VanDerWaalsContact NH1-CA 3.28Å |
| 2783 | S | 92.1 | Very high | 91.4 | Very high | 23.6 Ų | 23.6 | 30.6 Ų | 30.6 | 17% | 0.165 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.4 | -39 | 176.3 | -54.4 | 0 | 0 | 0 | 0 | 111.8 | P2779 N2780 L2781 Y2786 N2787 L2810 | P2779-S2783 WeakPolarHBondContact O-CB 3.47Å; P2779-S2783 PolarHBondContact O-N 2.93Å; P2779-S2783 VanDerWaalsContact O-N 3.16Å; P2779-S2783 PolarHBondContact O-OG 3.2Å; P2779-S2783 VanDerWaalsContact O-OG 3.09Å; N2780-S2783 WeakPolarHBondContact O-CB 3.34Å; N2780-S2783 PolarHBondContact O-N 3.15Å; L2781-S2783 VanDerWaalsContact C-N 3.35Å; L2781-S2783 PolarHBondContact O-N 3.01Å; S2783-Y2786 PolarHBondContact O-N 2.68Å; S2783-N2787 PolarHBondContact O-N 3.03Å; S2783-N2787 VanDerWaalsContact O-N 3.11Å; S2783-N2787 PolarHBondContact O-ND2 3.18Å; S2783-L2810 PolarHBondContact OG-O 3.3Å |
| 2784 | A | 92 | Very high | 90.9 | Very high | 36.6 Ų | 36.6 | 34.5 Ų | 34.5 | 30% | 0.302 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.6 | -42.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1962 M1965 E1966 N2780 L2781 R2782 Y2786 N2787 L2788 | A1962-A2784 HydrophobicContact CB-CB 4.36Å; M1965-A2784 HydrophobicContact CB-CB 4.09Å; E1966-A2784 HydrophobicContact CG-CB 4.46Å; N2780-A2784 WeakPolarHBondContact O-CB 3.47Å; N2780-A2784 PolarHBondContact O-N 3.28Å; L2781-A2784 PolarHBondContact O-N 3.21Å; R2782-A2784 VanDerWaalsContact C-N 3.3Å; R2782-A2784 PolarHBondContact O-N 3.44Å; A2784-Y2786 VanDerWaalsContact C-N 3.35Å; A2784-Y2786 PolarHBondContact O-N 3.13Å; A2784-N2787 PolarHBondContact O-N 3.12Å; A2784-L2788 WeakPolarHBondContact O-CB 3.34Å; A2784-L2788 PolarHBondContact O-N 3.15Å |
| 2785 | A | 94.3 | Very high | 90.3 | Very high | 2.8 Ų | 2.8 | 37.9 Ų | 37.9 | 2% | 0.023 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.2 | -37.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1965 N2773 L2774 L2781 R2782 L2788 L2789 | M1965-A2785 VanDerWaalsContact CE-CA 3.49Å; M1965-A2785 HydrophobicContact CE-CB 3.51Å; M1965-A2785 HydrophobicContact SD-CB 3.86Å; N2773-A2785 HydrophobicContact CB-CB 3.83Å; L2774-A2785 HydrophobicContact CB-CB 4.11Å; L2774-A2785 HydrophobicContact CD1-CB 4.48Å; L2781-A2785 VanDerWaalsContact O-CB 3.26Å; L2781-A2785 WeakPolarHBondContact O-CB 3.43Å; L2781-A2785 PolarHBondContact O-N 2.96Å; R2782-A2785 PolarHBondContact O-N 3.34Å; A2785-L2788 PolarHBondContact O-N 3.15Å; A2785-L2789 WeakPolarHBondContact O-CB 3.42Å; A2785-L2789 PolarHBondContact O-N 3.06Å |
| 2786 | Y | 93.9 | Very high | 89.8 | Confident | 26.8 Ų | 26.8 | 39.7 Ų | 39.7 | 11% | 0.105 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.8 | -45.6 | 173.2 | 178.6 | -94.2 | 0 | 0 | 0 | 112 | R2782 S2783 A2784 L2788 L2789 C2790 L2804 L2805 L2810 I2812 F2819 | R2782-Y2786 WeakPolarHBondContact O-CB 3.32Å; R2782-Y2786 PolarHBondContact O-N 3.17Å; S2783-Y2786 PolarHBondContact O-N 2.68Å; A2784-Y2786 VanDerWaalsContact C-N 3.35Å; A2784-Y2786 PolarHBondContact O-N 3.13Å; Y2786-L2788 VanDerWaalsContact C-N 3.32Å; Y2786-L2788 PolarHBondContact O-N 3.11Å; Y2786-L2789 WeakPolarHBondContact O-CB 3.34Å; Y2786-L2789 PolarHBondContact O-N 3.21Å; Y2786-L2789 VanDerWaalsContact O-N 3.12Å; Y2786-C2790 VanDerWaalsContact CE1-SG 3.56Å; Y2786-C2790 PolarHBondContact O-N 3.14Å; Y2786-C2790 PolarHBondContact O-SG 3.02Å; Y2786-L2804 HydrophobicContact CD2-CD2 4.45Å; Y2786-L2804 HydrophobicContact CE2-CD2 3.58Å; Y2786-L2805 VanDerWaalsContact CE1-O 3.31Å; Y2786-L2805 WeakPolarHBondContact CE1-O 3.33Å; Y2786-L2805 PolarHBondContact OH-N 3.17Å; Y2786-L2810 HydrophobicContact CD1-CD2 3.65Å; Y2786-L2810 HydrophobicContact CD2-CD2 4.45Å; Y2786-L2810 HydrophobicContact CE1-CD2 3.53Å; Y2786-L2810 VanDerWaalsContact CE1-CD2 3.45Å; Y2786-L2810 HydrophobicContact CE2-CD2 4.39Å; Y2786-L2810 HydrophobicContact CG-CD2 4.17Å; Y2786-I2812 HydrophobicContact CD2-CD1 4.33Å; Y2786-I2812 HydrophobicContact CG-CD1 4Å; Y2786-F2819 HydrophobicContact CD2-CE1 4.28Å; Y2786-F2819 HydrophobicContact CD2-CZ 4.47Å; Y2786-F2819 HydrophobicContact CE2-CE1 4.22Å; Y2786-F2819 AromaticContact CE2-CZ 3.96Å; Y2786-F2819 HydrophobicContact CE2-CZ 4.01Å |
| 2787 | N | 91.8 | Very high | 89.2 | Confident | 23.8 Ų | 23.8 | 45 Ų | 45 | 13% | 0.127 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.6 | -35.3 | 176.4 | -72.3 | -24 | 0 | 0 | 0 | 112.1 | T1969 S2783 A2784 C2790 A2791 E2806 T2807 | T1969-N2787 HydrophobicContact CG2-CB 4.39Å; S2783-N2787 PolarHBondContact O-N 3.03Å; S2783-N2787 VanDerWaalsContact O-N 3.11Å; S2783-N2787 PolarHBondContact O-ND2 3.18Å; A2784-N2787 PolarHBondContact O-N 3.12Å; N2787-C2790 WeakPolarHBondContact O-CB 3.42Å; N2787-C2790 PolarHBondContact O-N 3.26Å; N2787-A2791 WeakPolarHBondContact O-CB 3.39Å; N2787-A2791 PolarHBondContact O-N 2.97Å; N2787-E2806 HydrophobicContact CB-CG 3.87Å; N2787-E2806 WeakPolarHBondContact OD1-CA 3.32Å; N2787-E2806 WeakPolarHBondContact OD1-CG 3.37Å; N2787-T2807 PolarHBondContact ND2-O 3.2Å; N2787-T2807 PolarHBondContact OD1-N 3.04Å; N2787-T2807 PolarHBondContact OD1-O 3.03Å |
| 2788 | L | 91.8 | Very high | 88.8 | Confident | 36 Ų | 36 | 40.6 Ų | 40.6 | 19% | 0.188 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61 | -44.8 | 170 | 178.5 | 62.4 | 0 | 0 | 0 | 111.5 | M1965 L1968 T1969 L1972 I2769 A2770 A2784 A2785 Y2786 C2790 A2791 L2792 | M1965-L2788 HydrophobicContact CB-CD2 4.45Å; M1965-L2788 HydrophobicContact CE-CB 4.47Å; M1965-L2788 HydrophobicContact CE-CD2 3.61Å; M1965-L2788 HydrophobicContact CG-CD2 4.31Å; L1968-L2788 HydrophobicContact CB-CD1 3.63Å; L1968-L2788 HydrophobicContact CD1-CD2 4.24Å; T1969-L2788 WeakPolarHBondContact OG1-CA 3.31Å; T1969-L2788 PolarHBondContact OG1-N 3.06Å; L1972-L2788 HydrophobicContact CD1-CD1 3.58Å; I2769-L2788 HydrophobicContact CG2-CD2 4.29Å; A2770-L2788 HydrophobicContact CB-CD2 4.13Å; A2770-L2788 HydrophobicContact CB-CG 4.26Å; A2784-L2788 WeakPolarHBondContact O-CB 3.34Å; A2784-L2788 PolarHBondContact O-N 3.15Å; A2785-L2788 PolarHBondContact O-N 3.15Å; Y2786-L2788 VanDerWaalsContact C-N 3.32Å; Y2786-L2788 PolarHBondContact O-N 3.11Å; L2788-C2790 VanDerWaalsContact C-N 3.34Å; L2788-C2790 PolarHBondContact O-N 3.09Å; L2788-A2791 PolarHBondContact O-N 3.19Å; L2788-L2792 HydrophobicContact CD1-CD1 4.28Å; L2788-L2792 HydrophobicContact CD1-CD2 4.46Å; L2788-L2792 HydrophobicContact CD1-CG 4.19Å; L2788-L2792 HydrophobicContact CG-CD1 3.99Å; L2788-L2792 HydrophobicContact CG-CG 4.36Å; L2788-L2792 WeakPolarHBondContact O-CB 3.35Å; L2788-L2792 VanDerWaalsContact O-CG 3.25Å; L2788-L2792 WeakPolarHBondContact O-CG 3.39Å; L2788-L2792 PolarHBondContact O-N 3.1Å |
| 2789 | L | 92.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.1 | -41.6 | 176.3 | -176.2 | 66.1 | 0 | 0 | 0 | 112 | L2767 A2770 L2771 L2774 A2785 Y2786 L2792 T2793 L2804 I2823 | L2767-L2789 HydrophobicContact CD1-CD1 3.69Å; A2770-L2789 HydrophobicContact CB-CB 4.24Å; A2770-L2789 HydrophobicContact CB-CD1 4.4Å; L2771-L2789 HydrophobicContact CD2-CD1 4.42Å; L2771-L2789 HydrophobicContact CD2-CD2 4.39Å; L2774-L2789 HydrophobicContact CD2-CD2 4.39Å; A2785-L2789 WeakPolarHBondContact O-CB 3.42Å; A2785-L2789 PolarHBondContact O-N 3.06Å; Y2786-L2789 WeakPolarHBondContact O-CB 3.34Å; Y2786-L2789 PolarHBondContact O-N 3.21Å; Y2786-L2789 VanDerWaalsContact O-N 3.12Å; L2789-L2792 PolarHBondContact O-N 3.23Å; L2789-T2793 HydrophobicContact CD1-CG2 4.4Å; L2789-T2793 WeakPolarHBondContact O-CB 3.37Å; L2789-T2793 VanDerWaalsContact O-CG2 3.26Å; L2789-T2793 WeakPolarHBondContact O-CG2 3.35Å; L2789-T2793 PolarHBondContact O-N 3.19Å; L2789-T2793 PolarHBondContact O-OG1 3.04Å; L2789-L2804 HydrophobicContact CD2-CD1 4.09Å; L2789-L2804 HydrophobicContact CD2-CD2 4.37Å; L2789-L2804 HydrophobicContact CG-CD1 3.99Å; L2789-I2823 HydrophobicContact CD1-CG2 4.49Å; L2789-I2823 HydrophobicContact CD2-CD1 3.99Å; L2789-I2823 HydrophobicContact CD2-CG2 4.25Å |
| 2790 | C | 90.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.5 | -48.6 | 172.8 | -63.2 | 0 | 0 | 0 | 0 | 111.4 | Y2786 N2787 L2788 L2792 T2793 Q2794 L2805 E2806 | Y2786-C2790 VanDerWaalsContact CE1-SG 3.56Å; Y2786-C2790 PolarHBondContact O-N 3.14Å; Y2786-C2790 PolarHBondContact O-SG 3.02Å; N2787-C2790 WeakPolarHBondContact O-CB 3.42Å; N2787-C2790 PolarHBondContact O-N 3.26Å; L2788-C2790 VanDerWaalsContact C-N 3.34Å; L2788-C2790 PolarHBondContact O-N 3.09Å; C2790-L2792 VanDerWaalsContact C-N 3.34Å; C2790-L2792 PolarHBondContact O-N 3.23Å; C2790-T2793 PolarHBondContact O-N 3.01Å; C2790-T2793 PolarHBondContact O-OG1 3.29Å; C2790-T2793 VanDerWaalsContact O-OG1 3.1Å; C2790-Q2794 WeakPolarHBondContact O-CB 3.42Å; C2790-Q2794 VanDerWaalsContact O-CG 3.28Å; C2790-Q2794 WeakPolarHBondContact O-CG 3.39Å; C2790-Q2794 PolarHBondContact O-N 3.19Å; C2790-Q2794 VanDerWaalsContact O-N 3.08Å; C2790-L2805 VanDerWaalsContact SG-C 3.58Å; C2790-E2806 HydrophobicContact CB-CB 4.18Å |
| 2791 | A | 87.2 | Confident | 86.2 | Confident | 21.6 Ų | 21.6 | 44.4 Ų | 44.4 | 18% | 0.179 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64 | -39.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1969 L1972 N2787 L2788 Q2794 T2795 | T1969-A2791 HydrophobicContact CG2-CB 3.92Å; L1972-A2791 HydrophobicContact CB-CB 4.11Å; L1972-A2791 HydrophobicContact CD1-CB 4.22Å; N2787-A2791 WeakPolarHBondContact O-CB 3.39Å; N2787-A2791 PolarHBondContact O-N 2.97Å; L2788-A2791 PolarHBondContact O-N 3.19Å; A2791-Q2794 PolarHBondContact O-N 3.45Å; A2791-T2795 VanDerWaalsContact O-CB 3.24Å; A2791-T2795 WeakPolarHBondContact O-CB 3.3Å; A2791-T2795 PolarHBondContact O-N 3.05Å; A2791-T2795 PolarHBondContact O-OG1 3.13Å |
| 2792 | L | 87.9 | Confident | 84.9 | Confident | 7.6 Ų | 7.6 | 46.4 Ų | 46.4 | 4% | 0.04 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.7 | -47.9 | 176.4 | -72.1 | 169.8 | 0 | 0 | 0 | 111.8 | L1972 L2766 A2770 L2788 L2789 C2790 Q2794 T2795 F2796 | L1972-L2792 HydrophobicContact CD1-CD2 3.52Å; L1972-L2792 HydrophobicContact CD1-CG 3.77Å; L1972-L2792 HydrophobicContact CD2-CD2 4.07Å; L1972-L2792 HydrophobicContact CG-CD2 4.47Å; L2766-L2792 HydrophobicContact CB-CD1 3.94Å; L2766-L2792 HydrophobicContact CB-CD2 3.63Å; L2766-L2792 HydrophobicContact CB-CG 4.44Å; L2766-L2792 HydrophobicContact CD1-CD2 3.88Å; L2766-L2792 HydrophobicContact CG-CD2 4.39Å; L2766-L2792 WeakPolarHBondContact O-CD1 3.45Å; A2770-L2792 HydrophobicContact CB-CD1 4.15Å; L2788-L2792 HydrophobicContact CD1-CD1 4.28Å; L2788-L2792 HydrophobicContact CD1-CD2 4.46Å; L2788-L2792 HydrophobicContact CD1-CG 4.19Å; L2788-L2792 HydrophobicContact CG-CD1 3.99Å; L2788-L2792 HydrophobicContact CG-CG 4.36Å; L2788-L2792 WeakPolarHBondContact O-CB 3.35Å; L2788-L2792 VanDerWaalsContact O-CG 3.25Å; L2788-L2792 WeakPolarHBondContact O-CG 3.39Å; L2788-L2792 PolarHBondContact O-N 3.1Å; L2789-L2792 PolarHBondContact O-N 3.23Å; C2790-L2792 VanDerWaalsContact C-N 3.34Å; C2790-L2792 PolarHBondContact O-N 3.23Å; L2792-Q2794 VanDerWaalsContact C-N 3.32Å; L2792-Q2794 PolarHBondContact O-N 3.17Å; L2792-T2795 PolarHBondContact O-N 3.25Å; L2792-F2796 HydrophobicContact CD2-CD2 4.16Å; L2792-F2796 HydrophobicContact CD2-CE2 3.71Å; L2792-F2796 WeakPolarHBondContact O-CB 3.4Å; L2792-F2796 WeakPolarHBondContact O-CD2 3.33Å; L2792-F2796 PolarHBondContact O-N 3.22Å |
| 2793 | T | 86 | Confident | 84 | Confident | 13.2 Ų | 13.2 | 49.9 Ų | 49.9 | 8% | 0.081 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.2 | -38.1 | -178.4 | 53.6 | 0 | 0 | 0 | 0 | 112 | L2789 C2790 N2797 L2798 I2800 L2804 | L2789-T2793 HydrophobicContact CD1-CG2 4.4Å; L2789-T2793 WeakPolarHBondContact O-CB 3.37Å; L2789-T2793 VanDerWaalsContact O-CG2 3.26Å; L2789-T2793 WeakPolarHBondContact O-CG2 3.35Å; L2789-T2793 PolarHBondContact O-N 3.19Å; L2789-T2793 PolarHBondContact O-OG1 3.04Å; C2790-T2793 PolarHBondContact O-N 3.01Å; C2790-T2793 PolarHBondContact O-OG1 3.29Å; C2790-T2793 VanDerWaalsContact O-OG1 3.1Å; T2793-N2797 CarbonylContact O-C 3.5Å; T2793-N2797 VanDerWaalsContact O-CA 3.28Å; T2793-N2797 WeakPolarHBondContact O-CA 3.32Å; T2793-N2797 PolarHBondContact O-N 3.29Å; T2793-N2797 VanDerWaalsContact O-N 3.11Å; T2793-L2798 HydrophobicContact CG2-CB 4.19Å; T2793-L2798 HydrophobicContact CG2-CD1 4.16Å; T2793-L2798 PolarHBondContact O-N 3.28Å; T2793-I2800 HydrophobicContact CG2-CB 4.47Å; T2793-I2800 HydrophobicContact CG2-CD1 3.63Å; T2793-I2800 VanDerWaalsContact CG2-CD1 3.48Å; T2793-I2800 HydrophobicContact CG2-CG1 4.16Å; T2793-L2804 HydrophobicContact CG2-CD1 4.01Å |
| 2794 | Q | 83.3 | Confident | 83.6 | Confident | 110.4 Ų | 110.4 | 49.8 Ų | 49.8 | 52% | 0.516 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -69.8 | -43.9 | 173.4 | -67.8 | 175.7 | 14.5 | 0 | 0 | 112.8 | C2790 A2791 L2792 F2796 N2797 | C2790-Q2794 WeakPolarHBondContact O-CB 3.42Å; C2790-Q2794 VanDerWaalsContact O-CG 3.28Å; C2790-Q2794 WeakPolarHBondContact O-CG 3.39Å; C2790-Q2794 PolarHBondContact O-N 3.19Å; C2790-Q2794 VanDerWaalsContact O-N 3.08Å; A2791-Q2794 PolarHBondContact O-N 3.45Å; L2792-Q2794 VanDerWaalsContact C-N 3.32Å; L2792-Q2794 PolarHBondContact O-N 3.17Å; Q2794-F2796 PolarHBondContact O-N 2.89Å; Q2794-N2797 PolarHBondContact O-N 3.09Å; Q2794-N2797 PolarHBondContact O-OD1 2.7Å |
| 2795 | T | 81 | Confident | 83.2 | Confident | 72.4 Ų | 72.4 | 53.8 Ų | 53.8 | 44% | 0.444 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69 | -37.7 | -175.8 | -57.6 | 0 | 0 | 0 | 0 | 112.4 | L1972 F1978 A2791 L2792 | L1972-T2795 HydrophobicContact CD2-CG2 4.03Å; F1978-T2795 HydrophobicContact CD2-CG2 4.49Å; A2791-T2795 VanDerWaalsContact O-CB 3.24Å; A2791-T2795 WeakPolarHBondContact O-CB 3.3Å; A2791-T2795 PolarHBondContact O-N 3.05Å; A2791-T2795 PolarHBondContact O-OG1 3.13Å; L2792-T2795 PolarHBondContact O-N 3.25Å |
| 2796 | F | 79.8 | Confident | 82.7 | Confident | 52.4 Ų | 52.4 | 58.1 Ų | 58.1 | 23% | 0.23 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 3.1 | -179.5 | -63.8 | -63 | 0 | 0 | 0 | 113.9 | L1972 P2759 R2760 P2763 L2792 Q2794 L2798 | L1972-F2796 HydrophobicContact CD2-CE2 4.09Å; L1972-F2796 HydrophobicContact CD2-CZ 3.99Å; P2759-F2796 WeakPolarHBondContact O-CZ 3.46Å; R2760-F2796 HydrophobicContact CB-CE1 4.19Å; R2760-F2796 HydrophobicContact CG-CE1 4.15Å; R2760-F2796 WeakPolarHBondContact O-CE1 3.33Å; P2763-F2796 HydrophobicContact CB-CD1 4.25Å; P2763-F2796 HydrophobicContact CB-CD2 4.18Å; P2763-F2796 HydrophobicContact CB-CE1 3.91Å; P2763-F2796 HydrophobicContact CB-CE2 4.03Å; P2763-F2796 HydrophobicContact CB-CG 4.45Å; P2763-F2796 HydrophobicContact CB-CZ 4.08Å; P2763-F2796 HydrophobicContact CG-CE1 4.37Å; P2763-F2796 HydrophobicContact CG-CZ 4.5Å; L2792-F2796 HydrophobicContact CD2-CD2 4.16Å; L2792-F2796 HydrophobicContact CD2-CE2 3.71Å; L2792-F2796 WeakPolarHBondContact O-CB 3.4Å; L2792-F2796 WeakPolarHBondContact O-CD2 3.33Å; L2792-F2796 PolarHBondContact O-N 3.22Å; Q2794-F2796 PolarHBondContact O-N 2.89Å; F2796-L2798 HydrophobicContact CB-CD2 3.8Å; F2796-L2798 HydrophobicContact CB-CG 3.88Å; F2796-L2798 PolarHBondContact O-N 3Å; F2796-L2798 VanDerWaalsContact O-N 3.17Å |
| 2797 | N | 79.4 | Confident | 82.1 | Confident | 129.8 Ų | 129.8 | 59.9 Ų | 59.9 | 69% | 0.694 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 38 | -173.6 | -64.7 | -63.1 | 0 | 0 | 0 | 113.3 | T2793 Q2794 K2799 | T2793-N2797 CarbonylContact O-C 3.5Å; T2793-N2797 VanDerWaalsContact O-CA 3.28Å; T2793-N2797 WeakPolarHBondContact O-CA 3.32Å; T2793-N2797 PolarHBondContact O-N 3.29Å; T2793-N2797 VanDerWaalsContact O-N 3.11Å; Q2794-N2797 PolarHBondContact O-N 3.09Å; Q2794-N2797 PolarHBondContact O-OD1 2.7Å; N2797-K2799 PolarHBondContact O-N 3.24Å |
| 2798 | L | 82.2 | Confident | 81.5 | Confident | 15.2 Ų | 15.2 | 66.7 Ų | 66.7 | 8% | 0.08 | 35% | 0.352 | C | S | . | . | trans | -65.1 | 128.5 | 177.9 | -53.2 | 179.8 | 0 | 0 | 0 | 108.9 | T2793 F2796 I2800 L2827 E2831 L2834 | T2793-L2798 HydrophobicContact CG2-CB 4.19Å; T2793-L2798 HydrophobicContact CG2-CD1 4.16Å; T2793-L2798 PolarHBondContact O-N 3.28Å; F2796-L2798 HydrophobicContact CB-CD2 3.8Å; F2796-L2798 HydrophobicContact CB-CG 3.88Å; F2796-L2798 PolarHBondContact O-N 3Å; F2796-L2798 VanDerWaalsContact O-N 3.17Å; L2798-I2800 PolarHBondContact O-N 3.22Å; L2798-L2827 HydrophobicContact CB-CD2 4.07Å; L2798-L2827 HydrophobicContact CD1-CD2 4.24Å; L2798-E2831 HydrophobicContact CB-CG 4.48Å; L2798-E2831 HydrophobicContact CD2-CG 4.18Å; L2798-L2834 HydrophobicContact CD2-CD1 4.13Å | ||
| 2799 | K | 77.6 | Confident | 81 | Confident | 131.8 Ų | 131.8 | 68.3 Ų | 68.3 | 57% | 0.573 | 38% | 0.377 | S | S | * | . | trans | -73.7 | 76.3 | -172.3 | -63.7 | 178 | -171.5 | 139.4 | 0 | 112.9 | N2797 L2830 E2831 | N2797-K2799 PolarHBondContact O-N 3.24Å; K2799-L2830 HydrophobicContact CB-CB 4.36Å; K2799-L2830 HydrophobicContact CB-CD1 4.15Å; K2799-L2830 WeakPolarHBondContact O-CD1 3.37Å; K2799-E2831 WeakPolarHBondContact CG-OE1 3.45Å; K2799-E2831 IonicContact NZ-OE1 3.04Å; K2799-E2831 PolarHBondContact NZ-OE1 3.21Å; K2799-E2831 IonicContact NZ-OE2 2.81Å | ||
| 2800 | I | 78.2 | Confident | 80.8 | Confident | 25.8 Ų | 25.8 | 71.3 Ų | 71.3 | 13% | 0.132 | 39% | 0.393 | C | S | . | . | trans | -105.2 | 115.7 | 166.6 | -53.9 | -169.6 | 0 | 0 | 0 | 108 | T2793 L2798 G2802 Q2803 L2804 I2823 L2827 | T2793-I2800 HydrophobicContact CG2-CB 4.47Å; T2793-I2800 HydrophobicContact CG2-CD1 3.63Å; T2793-I2800 VanDerWaalsContact CG2-CD1 3.48Å; T2793-I2800 HydrophobicContact CG2-CG1 4.16Å; L2798-I2800 PolarHBondContact O-N 3.22Å; I2800-G2802 PolarHBondContact O-N 3.01Å; I2800-Q2803 HydrophobicContact CG2-CB 4.3Å; I2800-L2804 HydrophobicContact CB-CD1 4.4Å; I2800-L2804 HydrophobicContact CD1-CD1 3.98Å; I2800-L2804 HydrophobicContact CG2-CD1 4.17Å; I2800-L2804 HydrophobicContact CG2-CG 4.28Å; I2800-I2823 HydrophobicContact CD1-CD1 4.14Å; I2800-I2823 HydrophobicContact CD1-CG2 4.05Å; I2800-I2823 HydrophobicContact CG2-CD1 4.21Å; I2800-L2827 HydrophobicContact CD1-CD1 4.06Å; I2800-L2827 HydrophobicContact CD1-CD2 3.85Å; I2800-L2827 HydrophobicContact CD1-CG 3.92Å; I2800-L2827 HydrophobicContact CG1-CD2 3.81Å; I2800-L2827 HydrophobicContact CG1-CG 4.29Å | ||
| 2801 | E | 64.3 | Low | 80.7 | Confident | 149 Ų | 149 | 77.1 Ų | 77.1 | 70% | 0.696 | 43% | 0.432 | S | S | * | . | trans | -65.7 | 82.1 | -172.3 | -59.6 | 176 | 148.2 | 0 | 0 | 113.2 | Q2803 R2826 | E2801-Q2803 HydrophobicContact CB-CG 4.36Å; E2801-Q2803 VanDerWaalsContact O-CG 3.28Å; E2801-Q2803 WeakPolarHBondContact O-CG 3.33Å; E2801-Q2803 PolarHBondContact O-N 3.07Å; E2801-Q2803 VanDerWaalsContact O-N 3.16Å; E2801-R2826 IonicContact OE2-CZ 2.94Å; E2801-R2826 IonicContact OE2-NH1 3.25Å; E2801-R2826 PolarHBondContact OE2-NH1 3.2Å; E2801-R2826 VanDerWaalsContact OE2-NH1 3.16Å | ||
| 2802 | G | 64.7 | Low | 80.9 | Confident | 80.2 Ų | 80.2 | 77.3 Ų | 77.3 | 83% | 0.827 | 43% | 0.43 | S | S | * | . | S | Bend | trans | 63.4 | 3.8 | 169 | 0 | 0 | 0 | 0 | 0 | 117.3 | I2800 L2804 | I2800-G2802 PolarHBondContact O-N 3.01Å; G2802-L2804 VanDerWaalsContact C-N 3.27Å; G2802-L2804 PolarHBondContact O-N 3.05Å |
| 2803 | Q | 73.5 | Confident | 81 | Confident | 89 Ų | 89 | 81.1 Ų | 81.1 | 42% | 0.416 | 46% | 0.455 | S | S | . | . | trans | -82.7 | -7.2 | -170.3 | -72.8 | 172.8 | -3.7 | 0 | 0 | 114.9 | I2800 E2801 R2826 | I2800-Q2803 HydrophobicContact CG2-CB 4.3Å; E2801-Q2803 HydrophobicContact CB-CG 4.36Å; E2801-Q2803 VanDerWaalsContact O-CG 3.28Å; E2801-Q2803 WeakPolarHBondContact O-CG 3.33Å; E2801-Q2803 PolarHBondContact O-N 3.07Å; E2801-Q2803 VanDerWaalsContact O-N 3.16Å; Q2803-R2826 VanDerWaalsContact NE2-NH1 3.17Å | ||
| 2804 | L | 83.2 | Confident | 81 | Confident | 21.6 Ų | 21.6 | 83.1 Ų | 83.1 | 11% | 0.113 | 48% | 0.479 | C | S | . | . | trans | -123.8 | 128.4 | -171.3 | -64.1 | 179 | 0 | 0 | 0 | 110.8 | Y2786 L2789 T2793 I2800 G2802 F2819 I2823 | Y2786-L2804 HydrophobicContact CD2-CD2 4.45Å; Y2786-L2804 HydrophobicContact CE2-CD2 3.58Å; L2789-L2804 HydrophobicContact CD2-CD1 4.09Å; L2789-L2804 HydrophobicContact CD2-CD2 4.37Å; L2789-L2804 HydrophobicContact CG-CD1 3.99Å; T2793-L2804 HydrophobicContact CG2-CD1 4.01Å; I2800-L2804 HydrophobicContact CB-CD1 4.4Å; I2800-L2804 HydrophobicContact CD1-CD1 3.98Å; I2800-L2804 HydrophobicContact CG2-CD1 4.17Å; I2800-L2804 HydrophobicContact CG2-CG 4.28Å; G2802-L2804 VanDerWaalsContact C-N 3.27Å; G2802-L2804 PolarHBondContact O-N 3.05Å; L2804-F2819 HydrophobicContact CD2-CZ 3.99Å; L2804-I2823 HydrophobicContact CD2-CD1 4.26Å | ||
| 2805 | L | 84.5 | Confident | 81.4 | Confident | 121.4 Ų | 121.4 | 84.3 Ų | 84.3 | 64% | 0.636 | 49% | 0.488 | S | S | * | . | trans | -138.8 | 122.1 | 179 | 179.1 | 64.7 | 0 | 0 | 0 | 109.3 | Y2786 C2790 T2807 | Y2786-L2805 VanDerWaalsContact CE1-O 3.31Å; Y2786-L2805 WeakPolarHBondContact CE1-O 3.33Å; Y2786-L2805 PolarHBondContact OH-N 3.17Å; C2790-L2805 VanDerWaalsContact SG-C 3.58Å; L2805-T2807 PolarHBondContact O-N 3.21Å | ||
| 2806 | E | 84 | Confident | 81.9 | Confident | 92.6 Ų | 92.6 | 81.5 Ų | 81.5 | 43% | 0.433 | 47% | 0.471 | S | S | . | . | trans | -63 | 130.1 | 176.5 | -164.9 | -167.2 | 152.2 | 0 | 0 | 110.2 | N2787 C2790 | N2787-E2806 HydrophobicContact CB-CG 3.87Å; N2787-E2806 WeakPolarHBondContact OD1-CA 3.32Å; N2787-E2806 WeakPolarHBondContact OD1-CG 3.37Å; C2790-E2806 HydrophobicContact CB-CB 4.18Å | ||
| 2807 | T | 82.2 | Confident | 82.5 | Confident | 63.2 Ų | 63.2 | 81.3 Ų | 81.3 | 39% | 0.388 | 47% | 0.474 | S | S | . | . | trans | -153.8 | 137.7 | 179.9 | -71.3 | 0 | 0 | 0 | 0 | 111.2 | N2787 L2805 | N2787-T2807 PolarHBondContact ND2-O 3.2Å; N2787-T2807 PolarHBondContact OD1-N 3.04Å; N2787-T2807 PolarHBondContact OD1-O 3.03Å; L2805-T2807 PolarHBondContact O-N 3.21Å | ||
| 2808 | K | 79.1 | Confident | 83.2 | Confident | 166.6 Ų | 166.6 | 82.2 Ų | 82.2 | 72% | 0.724 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 133.6 | 174.9 | -65.5 | 178 | -176.5 | 172 | 0 | 109.9 | A2453 | A2453-K2808 PolarHBondContact O-NZ 2.87Š|
| 2809 | G | 80.8 | Confident | 83.7 | Confident | 69.6 Ų | 69.6 | 85.2 Ų | 85.2 | 72% | 0.718 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | 16.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | C2811 | G2809-C2811 PolarHBondContact O-N 3.08Š|
| 2810 | L | 86.8 | Confident | 84.5 | Confident | 63.8 Ų | 63.8 | 79 Ų | 79 | 33% | 0.334 | 46% | 0.463 | S | S | . | . | trans | -68.9 | 114.6 | 177 | -173.2 | 68.4 | 0 | 0 | 0 | 111.5 | S2783 Y2786 I2812 | S2783-L2810 PolarHBondContact OG-O 3.3Å; Y2786-L2810 HydrophobicContact CD1-CD2 3.65Å; Y2786-L2810 HydrophobicContact CD2-CD2 4.45Å; Y2786-L2810 HydrophobicContact CE1-CD2 3.53Å; Y2786-L2810 VanDerWaalsContact CE1-CD2 3.45Å; Y2786-L2810 HydrophobicContact CE2-CD2 4.39Å; Y2786-L2810 HydrophobicContact CG-CD2 4.17Å; L2810-I2812 HydrophobicContact CD2-CD1 4.21Å; L2810-I2812 HydrophobicContact CD2-CG1 3.98Å; L2810-I2812 HydrophobicContact CG-CG1 4.05Å; L2810-I2812 PolarHBondContact O-N 3.04Å; L2810-I2812 VanDerWaalsContact O-N 3.1Å | ||
| 2811 | C | 88.9 | Confident | 85.2 | Confident | 122 Ų | 122 | 79.3 Ų | 79.3 | 82% | 0.824 | 47% | 0.467 | S | S | * | . | trans | -80.8 | 84.9 | 177.7 | -63.1 | 0 | 0 | 0 | 0 | 111.8 | G2809 | G2809-C2811 PolarHBondContact O-N 3.08Š| ||
| 2812 | I | 91.1 | Very high | 86.6 | Confident | 25.2 Ų | 25.2 | 75.9 Ų | 75.9 | 13% | 0.129 | 45% | 0.451 | C | S | . | . | trans | -72.6 | 138.8 | 179 | -55.7 | -178.3 | 0 | 0 | 0 | 110.1 | L2774 R2782 Y2786 L2810 N2816 | L2774-I2812 HydrophobicContact CD1-CD1 3.86Å; L2774-I2812 HydrophobicContact CD1-CG2 4.5Å; R2782-I2812 HydrophobicContact CB-CB 4.41Å; R2782-I2812 HydrophobicContact CB-CD1 4.32Å; R2782-I2812 VanDerWaalsContact NH1-C 3.32Å; R2782-I2812 PolarHBondContact NH1-O 2.91Å; R2782-I2812 PolarHBondContact NH2-O 2.94Å; R2782-I2812 WeakPolarHBondContact O-CD1 3.43Å; Y2786-I2812 HydrophobicContact CD2-CD1 4.33Å; Y2786-I2812 HydrophobicContact CG-CD1 4Å; L2810-I2812 HydrophobicContact CD2-CD1 4.21Å; L2810-I2812 HydrophobicContact CD2-CG1 3.98Å; L2810-I2812 HydrophobicContact CG-CG1 4.05Å; L2810-I2812 PolarHBondContact O-N 3.04Å; L2810-I2812 VanDerWaalsContact O-N 3.1Å; I2812-N2816 HydrophobicContact CG2-CB 4.46Å; I2812-N2816 WeakPolarHBondContact CG2-ND2 3.31Å | ||
| 2813 | P | 91 | Very high | 87.9 | Confident | 88.8 Ų | 88.8 | 72.2 Ų | 72.2 | 58% | 0.577 | 41% | 0.412 | S | S | * | . | trans | -69.7 | 148.4 | 172.2 | -20.2 | 33.5 | 0 | 0 | 0 | 113 | R2782 N2815 | R2782-P2813 PolarHBondContact NH1-O 3.11Å; P2813-N2815 VanDerWaalsContact C-N 3.31Å; P2813-N2815 PolarHBondContact O-N 3.2Å | ||
| 2814 | G | 86.6 | Confident | 88.9 | Confident | 55.2 Ų | 55.2 | 68 Ų | 68 | 57% | 0.569 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -69.5 | -29.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | R2782 N2816 | R2782-G2814 VanDerWaalsContact NH1-CA 3.28Å; G2814-N2816 PolarHBondContact O-N 2.82Å |
| 2815 | N | 89.6 | Confident | 89.4 | Confident | 135 Ų | 135 | 69.4 Ų | 69.4 | 72% | 0.722 | 40% | 0.4 | S | S | * | . | trans | -94.9 | 89.7 | 169.9 | -179 | 8 | 0 | 0 | 0 | 109.4 | P2813 | P2813-N2815 VanDerWaalsContact C-N 3.31Å; P2813-N2815 PolarHBondContact O-N 3.2Å | ||
| 2816 | N | 91.7 | Very high | 89.7 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 7% | 0.07 | 38% | 0.382 | C | S | . | . | trans | -124.1 | 13.6 | 179.1 | 64 | -8 | 0 | 0 | 0 | 113.3 | L2774 I2812 G2814 L2818 F2819 I2820 | L2774-N2816 PolarHBondContact O-ND2 2.96Å; L2774-N2816 PolarHBondContact O-OD1 2.98Å; I2812-N2816 HydrophobicContact CG2-CB 4.46Å; I2812-N2816 WeakPolarHBondContact CG2-ND2 3.31Å; G2814-N2816 PolarHBondContact O-N 2.82Å; N2816-L2818 VanDerWaalsContact C-N 3.27Å; N2816-L2818 PolarHBondContact O-N 3.27Å; N2816-L2818 VanDerWaalsContact O-N 3.15Å; N2816-F2819 WeakPolarHBondContact O-CB 3.3Å; N2816-F2819 PolarHBondContact O-N 3.34Å; N2816-I2820 WeakPolarHBondContact O-CG1 3.36Å; N2816-I2820 PolarHBondContact O-N 3.08Å; N2816-I2820 VanDerWaalsContact O-N 3.14Å; N2816-I2820 WeakPolarHBondContact OD1-CD1 3.35Å | ||
| 2817 | T | 93.1 | Very high | 90.2 | Very high | 48.6 Ų | 48.6 | 62.5 Ų | 62.5 | 30% | 0.298 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -49.5 | -43.1 | 179.4 | -55.2 | 0 | 0 | 0 | 0 | 113 | F2819 I2820 T2821 L2856 E2859 | T2817-F2819 VanDerWaalsContact C-N 3.3Å; T2817-F2819 PolarHBondContact O-N 3.01Å; T2817-I2820 PolarHBondContact O-N 3.29Å; T2817-T2821 WeakPolarHBondContact O-CB 3.41Å; T2817-T2821 PolarHBondContact O-N 3.03Å; T2817-T2821 PolarHBondContact O-OG1 3.09Å; T2817-T2821 VanDerWaalsContact O-OG1 3.08Å; T2817-L2856 HydrophobicContact CG2-CD1 3.85Å; T2817-E2859 HydrophobicContact CG2-CB 4.46Å; T2817-E2859 HydrophobicContact CG2-CG 4.29Å |
| 2818 | L | 93.2 | Very high | 90.7 | Very high | 148.4 Ų | 148.4 | 59.6 Ų | 59.6 | 78% | 0.777 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.6 | -38.1 | 178.9 | -65.3 | 176.7 | 0 | 0 | 0 | 112.8 | N2816 E2822 | N2816-L2818 VanDerWaalsContact C-N 3.27Å; N2816-L2818 PolarHBondContact O-N 3.27Å; N2816-L2818 VanDerWaalsContact O-N 3.15Å; L2818-E2822 WeakPolarHBondContact O-CB 3.29Å; L2818-E2822 PolarHBondContact O-N 2.98Å |
| 2819 | F | 93.2 | Very high | 91.3 | Very high | 79.2 Ų | 79.2 | 57.5 Ų | 57.5 | 35% | 0.347 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.6 | -44 | 177.3 | 176.7 | -104.3 | 0 | 0 | 0 | 111.2 | L2774 Y2786 L2804 N2816 T2817 T2821 E2822 I2823 | L2774-F2819 HydrophobicContact CD2-CD1 4.22Å; L2774-F2819 HydrophobicContact CD2-CE1 4.07Å; Y2786-F2819 HydrophobicContact CD2-CE1 4.28Å; Y2786-F2819 HydrophobicContact CD2-CZ 4.47Å; Y2786-F2819 HydrophobicContact CE2-CE1 4.22Å; Y2786-F2819 AromaticContact CE2-CZ 3.96Å; Y2786-F2819 HydrophobicContact CE2-CZ 4.01Å; L2804-F2819 HydrophobicContact CD2-CZ 3.99Å; N2816-F2819 WeakPolarHBondContact O-CB 3.3Å; N2816-F2819 PolarHBondContact O-N 3.34Å; T2817-F2819 VanDerWaalsContact C-N 3.3Å; T2817-F2819 PolarHBondContact O-N 3.01Å; F2819-T2821 VanDerWaalsContact C-N 3.29Å; F2819-T2821 PolarHBondContact O-N 2.88Å; F2819-E2822 PolarHBondContact O-N 3.11Å; F2819-I2823 HydrophobicContact CD1-CD1 4.06Å; F2819-I2823 HydrophobicContact CD1-CG1 4.43Å; F2819-I2823 HydrophobicContact CD2-CD1 4.24Å; F2819-I2823 HydrophobicContact CD2-CG1 4.38Å; F2819-I2823 HydrophobicContact CE1-CD1 3.51Å; F2819-I2823 VanDerWaalsContact CE1-CD1 3.47Å; F2819-I2823 HydrophobicContact CE1-CG1 4.07Å; F2819-I2823 HydrophobicContact CE2-CD1 3.91Å; F2819-I2823 HydrophobicContact CE2-CG1 4.23Å; F2819-I2823 HydrophobicContact CG-CD1 4.32Å; F2819-I2823 HydrophobicContact CZ-CD1 3.64Å; F2819-I2823 HydrophobicContact CZ-CG1 4.15Å; F2819-I2823 WeakPolarHBondContact O-CB 3.43Å; F2819-I2823 VanDerWaalsContact O-CG1 3.32Å; F2819-I2823 WeakPolarHBondContact O-CG1 3.38Å; F2819-I2823 PolarHBondContact O-N 3.27Å; F2819-I2823 VanDerWaalsContact O-N 3.08Å |
| 2820 | I | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 177.2 | -60 | 171.8 | 0 | 0 | 0 | 110.5 | L2771 L2774 N2816 T2817 I2823 S2824 L2856 Y2860 | L2771-I2820 HydrophobicContact CB-CG2 4.19Å; L2771-I2820 HydrophobicContact CD2-CG2 4.16Å; L2774-I2820 HydrophobicContact CB-CD1 4.14Å; L2774-I2820 HydrophobicContact CB-CG1 4.41Å; L2774-I2820 HydrophobicContact CD2-CD1 4.49Å; L2774-I2820 HydrophobicContact CD2-CG1 4Å; L2774-I2820 HydrophobicContact CG-CD1 4.11Å; L2774-I2820 HydrophobicContact CG-CG1 4.05Å; N2816-I2820 WeakPolarHBondContact O-CG1 3.36Å; N2816-I2820 PolarHBondContact O-N 3.08Å; N2816-I2820 VanDerWaalsContact O-N 3.14Å; N2816-I2820 WeakPolarHBondContact OD1-CD1 3.35Å; T2817-I2820 PolarHBondContact O-N 3.29Å; I2820-I2823 PolarHBondContact O-N 3.03Å; I2820-S2824 WeakPolarHBondContact O-CB 3.39Å; I2820-S2824 PolarHBondContact O-N 2.99Å; I2820-L2856 HydrophobicContact CB-CD1 4.28Å; I2820-L2856 HydrophobicContact CD1-CD1 3.98Å; I2820-L2856 HydrophobicContact CD1-CD2 3.93Å; I2820-L2856 HydrophobicContact CG2-CD1 4.14Å; I2820-Y2860 HydrophobicContact CG2-CD1 4.07Å; I2820-Y2860 HydrophobicContact CG2-CG 4.4Å |
| 2821 | T | 93.2 | Very high | 91.9 | Very high | 33.4 Ų | 33.4 | 56.1 Ų | 56.1 | 21% | 0.205 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 179.7 | -55.9 | 0 | 0 | 0 | 0 | 112.3 | T2817 F2819 S2824 N2825 | T2817-T2821 WeakPolarHBondContact O-CB 3.41Å; T2817-T2821 PolarHBondContact O-N 3.03Å; T2817-T2821 PolarHBondContact O-OG1 3.09Å; T2817-T2821 VanDerWaalsContact O-OG1 3.08Å; F2819-T2821 VanDerWaalsContact C-N 3.29Å; F2819-T2821 PolarHBondContact O-N 2.88Å; T2821-S2824 PolarHBondContact O-N 3.13Å; T2821-N2825 VanDerWaalsContact O-CB 3.27Å; T2821-N2825 WeakPolarHBondContact O-CB 3.27Å; T2821-N2825 PolarHBondContact O-N 3.09Å |
| 2822 | E | 92.9 | Very high | 91.9 | Very high | 77.4 Ų | 77.4 | 51.4 Ų | 51.4 | 36% | 0.362 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.9 | -40.8 | 177.7 | 175 | 60.8 | 179.9 | 0 | 0 | 112.3 | L2818 F2819 S2824 N2825 R2826 | L2818-E2822 WeakPolarHBondContact O-CB 3.29Å; L2818-E2822 PolarHBondContact O-N 2.98Å; F2819-E2822 PolarHBondContact O-N 3.11Å; E2822-S2824 PolarHBondContact O-N 3.21Å; E2822-N2825 WeakPolarHBondContact O-CB 3.16Å; E2822-N2825 PolarHBondContact O-N 3.16Å; E2822-N2825 PolarHBondContact OE2-ND2 3.11Å; E2822-R2826 WeakPolarHBondContact O-CD 3.45Å; E2822-R2826 VanDerWaalsContact O-CG 3.27Å; E2822-R2826 WeakPolarHBondContact O-CG 3.38Å; E2822-R2826 PolarHBondContact O-N 3.2Å; E2822-R2826 IonicContact OE1-CZ 3.32Å; E2822-R2826 VanDerWaalsContact OE1-CZ 3.24Å; E2822-R2826 IonicContact OE1-NE 3.35Å; E2822-R2826 PolarHBondContact OE1-NE 2.86Å; E2822-R2826 IonicContact OE1-NH2 2.99Å; E2822-R2826 PolarHBondContact OE1-NH2 3.01Å |
| 2823 | I | 92.9 | Very high | 91.7 | Very high | 2.2 Ų | 2.2 | 55.7 Ų | 55.7 | 1% | 0.011 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 172.5 | -72.5 | -143.5 | 0 | 0 | 0 | 110.8 | L2771 L2789 I2800 L2804 F2819 I2820 N2825 R2826 L2827 | L2771-I2823 HydrophobicContact CD2-CG2 4.01Å; L2789-I2823 HydrophobicContact CD1-CG2 4.49Å; L2789-I2823 HydrophobicContact CD2-CD1 3.99Å; L2789-I2823 HydrophobicContact CD2-CG2 4.25Å; I2800-I2823 HydrophobicContact CD1-CD1 4.14Å; I2800-I2823 HydrophobicContact CD1-CG2 4.05Å; I2800-I2823 HydrophobicContact CG2-CD1 4.21Å; L2804-I2823 HydrophobicContact CD2-CD1 4.26Å; F2819-I2823 HydrophobicContact CD1-CD1 4.06Å; F2819-I2823 HydrophobicContact CD1-CG1 4.43Å; F2819-I2823 HydrophobicContact CD2-CD1 4.24Å; F2819-I2823 HydrophobicContact CD2-CG1 4.38Å; F2819-I2823 HydrophobicContact CE1-CD1 3.51Å; F2819-I2823 VanDerWaalsContact CE1-CD1 3.47Å; F2819-I2823 HydrophobicContact CE1-CG1 4.07Å; F2819-I2823 HydrophobicContact CE2-CD1 3.91Å; F2819-I2823 HydrophobicContact CE2-CG1 4.23Å; F2819-I2823 HydrophobicContact CG-CD1 4.32Å; F2819-I2823 HydrophobicContact CZ-CD1 3.64Å; F2819-I2823 HydrophobicContact CZ-CG1 4.15Å; F2819-I2823 WeakPolarHBondContact O-CB 3.43Å; F2819-I2823 VanDerWaalsContact O-CG1 3.32Å; F2819-I2823 WeakPolarHBondContact O-CG1 3.38Å; F2819-I2823 PolarHBondContact O-N 3.27Å; F2819-I2823 VanDerWaalsContact O-N 3.08Å; I2820-I2823 PolarHBondContact O-N 3.03Å; I2823-N2825 VanDerWaalsContact C-N 3.32Å; I2823-N2825 PolarHBondContact O-N 3.15Å; I2823-R2826 PolarHBondContact O-N 3.13Å; I2823-L2827 HydrophobicContact CG2-CD1 3.95Å; I2823-L2827 HydrophobicContact CG2-CG 4.42Å; I2823-L2827 WeakPolarHBondContact O-CB 3.32Å; I2823-L2827 WeakPolarHBondContact O-CG 3.38Å; I2823-L2827 PolarHBondContact O-N 3.08Å |
| 2824 | S | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 177.9 | -168.4 | 0 | 0 | 0 | 0 | 112 | I2820 T2821 E2822 L2827 A2828 Y2860 W2864 | I2820-S2824 WeakPolarHBondContact O-CB 3.39Å; I2820-S2824 PolarHBondContact O-N 2.99Å; T2821-S2824 PolarHBondContact O-N 3.13Å; E2822-S2824 PolarHBondContact O-N 3.21Å; S2824-L2827 PolarHBondContact O-N 3.25Å; S2824-A2828 VanDerWaalsContact O-CB 3.3Å; S2824-A2828 WeakPolarHBondContact O-CB 3.41Å; S2824-A2828 PolarHBondContact O-N 3.12Å; S2824-Y2860 PolarHBondContact OG-O 2.94Å; S2824-W2864 PolarHBondContact O-NE1 3.12Å; S2824-W2864 PolarHBondContact OG-NE1 3.07Å |
| 2825 | N | 93.8 | Very high | 92 | Very high | 52.8 Ų | 52.8 | 49 Ų | 49 | 28% | 0.282 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.8 | -45.6 | 175.9 | 179.5 | 38.3 | 0 | 0 | 0 | 112.3 | T2821 E2822 I2823 A2828 Q2829 P2863 | T2821-N2825 VanDerWaalsContact O-CB 3.27Å; T2821-N2825 WeakPolarHBondContact O-CB 3.27Å; T2821-N2825 PolarHBondContact O-N 3.09Å; E2822-N2825 WeakPolarHBondContact O-CB 3.16Å; E2822-N2825 PolarHBondContact O-N 3.16Å; E2822-N2825 PolarHBondContact OE2-ND2 3.11Å; I2823-N2825 VanDerWaalsContact C-N 3.32Å; I2823-N2825 PolarHBondContact O-N 3.15Å; N2825-A2828 PolarHBondContact O-N 3.14Å; N2825-Q2829 WeakPolarHBondContact O-CG 3.33Å; N2825-Q2829 PolarHBondContact O-N 2.98Å; N2825-Q2829 VanDerWaalsContact O-N 3.15Å; N2825-Q2829 PolarHBondContact OD1-NE2 3Å; N2825-P2863 HydrophobicContact CB-CB 4.31Å; N2825-P2863 HydrophobicContact CB-CG 4.15Å |
| 2826 | R | 91.5 | Very high | 92.1 | Very high | 67.6 Ų | 67.6 | 43.5 Ų | 43.5 | 26% | 0.255 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.3 | -47.3 | 175.8 | -71.6 | 172.5 | -178.7 | -114.8 | -11.6 | 112 | E2801 Q2803 E2822 I2823 A2828 Q2829 L2830 | E2801-R2826 IonicContact OE2-CZ 2.94Å; E2801-R2826 IonicContact OE2-NH1 3.25Å; E2801-R2826 PolarHBondContact OE2-NH1 3.2Å; E2801-R2826 VanDerWaalsContact OE2-NH1 3.16Å; Q2803-R2826 VanDerWaalsContact NE2-NH1 3.17Å; E2822-R2826 WeakPolarHBondContact O-CD 3.45Å; E2822-R2826 VanDerWaalsContact O-CG 3.27Å; E2822-R2826 WeakPolarHBondContact O-CG 3.38Å; E2822-R2826 PolarHBondContact O-N 3.2Å; E2822-R2826 IonicContact OE1-CZ 3.32Å; E2822-R2826 VanDerWaalsContact OE1-CZ 3.24Å; E2822-R2826 IonicContact OE1-NE 3.35Å; E2822-R2826 PolarHBondContact OE1-NE 2.86Å; E2822-R2826 IonicContact OE1-NH2 2.99Å; E2822-R2826 PolarHBondContact OE1-NH2 3.01Å; I2823-R2826 PolarHBondContact O-N 3.13Å; R2826-A2828 PolarHBondContact O-N 3.07Å; R2826-Q2829 PolarHBondContact O-N 2.98Å; R2826-Q2829 VanDerWaalsContact O-N 3.17Å; R2826-L2830 WeakPolarHBondContact O-CB 3.38Å; R2826-L2830 WeakPolarHBondContact O-CG 3.38Å; R2826-L2830 PolarHBondContact O-N 3.23Å |
| 2827 | L | 92.6 | Very high | 92.1 | Very high | 0.4 Ų | 0.4 | 45.7 Ų | 45.7 | 0% | 0.002 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.4 | -40.7 | 178.3 | -74.1 | 173.2 | 0 | 0 | 0 | 112.2 | L2767 L2798 I2800 I2823 S2824 Q2829 L2830 E2831 W2864 | L2767-L2827 HydrophobicContact CD1-CD1 3.62Å; L2767-L2827 HydrophobicContact CD2-CD1 3.83Å; L2767-L2827 HydrophobicContact CG-CD1 4.35Å; L2798-L2827 HydrophobicContact CB-CD2 4.07Å; L2798-L2827 HydrophobicContact CD1-CD2 4.24Å; I2800-L2827 HydrophobicContact CD1-CD1 4.06Å; I2800-L2827 HydrophobicContact CD1-CD2 3.85Å; I2800-L2827 HydrophobicContact CD1-CG 3.92Å; I2800-L2827 HydrophobicContact CG1-CD2 3.81Å; I2800-L2827 HydrophobicContact CG1-CG 4.29Å; I2823-L2827 HydrophobicContact CG2-CD1 3.95Å; I2823-L2827 HydrophobicContact CG2-CG 4.42Å; I2823-L2827 WeakPolarHBondContact O-CB 3.32Å; I2823-L2827 WeakPolarHBondContact O-CG 3.38Å; I2823-L2827 PolarHBondContact O-N 3.08Å; S2824-L2827 PolarHBondContact O-N 3.25Å; L2827-Q2829 VanDerWaalsContact C-N 3.27Å; L2827-Q2829 PolarHBondContact O-N 3.28Å; L2827-L2830 PolarHBondContact O-N 3.18Å; L2827-E2831 HydrophobicContact CD2-CG 4.47Å; L2827-E2831 CarbonylContact O-C 3.51Å; L2827-E2831 WeakPolarHBondContact O-CA 3.43Å; L2827-E2831 PolarHBondContact O-N 3.12Å; L2827-W2864 HydrophobicContact CB-CH2 4.05Å; L2827-W2864 HydrophobicContact CB-CZ2 3.72Å |
| 2828 | A | 93.5 | Very high | 92.2 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 2% | 0.017 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61 | -35.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S2824 N2825 R2826 P2863 W2864 N2867 | S2824-A2828 VanDerWaalsContact O-CB 3.3Å; S2824-A2828 WeakPolarHBondContact O-CB 3.41Å; S2824-A2828 PolarHBondContact O-N 3.12Å; N2825-A2828 PolarHBondContact O-N 3.14Å; R2826-A2828 PolarHBondContact O-N 3.07Å; A2828-P2863 HydrophobicContact CB-CB 3.98Å; A2828-W2864 HydrophobicContact CB-CD2 3.66Å; A2828-W2864 HydrophobicContact CB-CE3 4.04Å; A2828-W2864 HydrophobicContact CB-CG 3.94Å; A2828-W2864 HydrophobicContact CB-CZ2 4.22Å; A2828-W2864 HydrophobicContact CB-CZ3 4.47Å; A2828-N2867 PolarHBondContact O-ND2 3.08Å |
| 2829 | Q | 92 | Very high | 92.3 | Very high | 122.8 Ų | 122.8 | 36.4 Ų | 36.4 | 57% | 0.574 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -76.2 | -43.6 | 178.6 | -69 | 175.9 | 38 | 0 | 0 | 112.5 | N2825 R2826 L2827 | N2825-Q2829 WeakPolarHBondContact O-CG 3.33Å; N2825-Q2829 PolarHBondContact O-N 2.98Å; N2825-Q2829 VanDerWaalsContact O-N 3.15Å; N2825-Q2829 PolarHBondContact OD1-NE2 3Å; R2826-Q2829 PolarHBondContact O-N 2.98Å; R2826-Q2829 VanDerWaalsContact O-N 3.17Å; L2827-Q2829 VanDerWaalsContact C-N 3.27Å; L2827-Q2829 PolarHBondContact O-N 3.28Å |
| 2830 | L | 90.6 | Very high | 92.2 | Very high | 82.2 Ų | 82.2 | 35.8 Ų | 35.8 | 43% | 0.43 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -89.2 | -36.3 | -170.1 | -64.4 | 172 | 0 | 0 | 0 | 113.8 | K2799 R2826 L2827 P2832 | K2799-L2830 HydrophobicContact CB-CB 4.36Å; K2799-L2830 HydrophobicContact CB-CD1 4.15Å; K2799-L2830 WeakPolarHBondContact O-CD1 3.37Å; R2826-L2830 WeakPolarHBondContact O-CB 3.38Å; R2826-L2830 WeakPolarHBondContact O-CG 3.38Å; R2826-L2830 PolarHBondContact O-N 3.23Å; L2827-L2830 PolarHBondContact O-N 3.18Å; L2830-P2832 VanDerWaalsContact O-CD 3.27Å; L2830-P2832 WeakPolarHBondContact O-CD 3.31Å |
| 2831 | E | 89.2 | Confident | 92.1 | Very high | 22 Ų | 22 | 38.3 Ų | 38.3 | 10% | 0.103 | 19% | 0.185 | C | C | . | . | trans | -121.4 | 59.6 | -177 | -59.5 | -55.9 | 158.7 | 0 | 0 | 112.4 | L2798 K2799 L2827 H2833 L2834 | L2798-E2831 HydrophobicContact CB-CG 4.48Å; L2798-E2831 HydrophobicContact CD2-CG 4.18Å; K2799-E2831 WeakPolarHBondContact CG-OE1 3.45Å; K2799-E2831 IonicContact NZ-OE1 3.04Å; K2799-E2831 PolarHBondContact NZ-OE1 3.21Å; K2799-E2831 IonicContact NZ-OE2 2.81Å; L2827-E2831 HydrophobicContact CD2-CG 4.47Å; L2827-E2831 CarbonylContact O-C 3.51Å; L2827-E2831 WeakPolarHBondContact O-CA 3.43Å; L2827-E2831 PolarHBondContact O-N 3.12Å; E2831-H2833 PolarHBondContact O-N 3.16Å; E2831-H2833 VanDerWaalsContact O-N 3.16Å; E2831-H2833 IonicContact OE2-CE1 3.66Å; E2831-H2833 PolarHBondContact OE2-CE1 3.05Å; E2831-H2833 VanDerWaalsContact OE2-CE1 3.22Å; E2831-H2833 IonicContact OE2-ND1 3.12Å; E2831-H2833 PolarHBondContact OE2-ND1 3.2Å; E2831-L2834 HydrophobicContact CB-CD1 4.08Å; E2831-L2834 HydrophobicContact CB-CG 4.47Å; E2831-L2834 PolarHBondContact O-N 3.13Å | ||
| 2832 | P | 89.9 | Confident | 92.2 | Very high | 23.4 Ų | 23.4 | 36.8 Ų | 36.8 | 15% | 0.152 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -65.7 | -15.4 | -173.6 | 29.5 | -38 | 0 | 0 | 0 | 113.6 | L2830 L2834 T2835 R2870 F2871 | L2830-P2832 VanDerWaalsContact O-CD 3.27Å; L2830-P2832 WeakPolarHBondContact O-CD 3.31Å; P2832-L2834 PolarHBondContact O-N 3.07Å; P2832-T2835 WeakPolarHBondContact O-CB 3.32Å; P2832-T2835 PolarHBondContact O-N 3.16Å; P2832-T2835 PolarHBondContact O-OG1 3.17Å; P2832-R2870 VanDerWaalsContact CG-NH1 3.3Å; P2832-F2871 VanDerWaalsContact O-CZ 3.28Å; P2832-F2871 WeakPolarHBondContact O-CZ 3.31Å |
| 2833 | H | 86.6 | Confident | 92.2 | Very high | 114.4 Ų | 114.4 | 33.7 Ų | 33.7 | 53% | 0.53 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -62.9 | -29 | -179.6 | 70.2 | -91.9 | 0 | 0 | 0 | 112.6 | E2831 T2835 | E2831-H2833 PolarHBondContact O-N 3.16Å; E2831-H2833 VanDerWaalsContact O-N 3.16Å; E2831-H2833 IonicContact OE2-CE1 3.66Å; E2831-H2833 PolarHBondContact OE2-CE1 3.05Å; E2831-H2833 VanDerWaalsContact OE2-CE1 3.22Å; E2831-H2833 IonicContact OE2-ND1 3.12Å; E2831-H2833 PolarHBondContact OE2-ND1 3.2Å; H2833-T2835 VanDerWaalsContact C-N 3.26Å; H2833-T2835 PolarHBondContact O-N 3.13Å |
| 2834 | L | 90.8 | Very high | 92 | Very high | 3.6 Ų | 3.6 | 37.7 Ų | 37.7 | 2% | 0.019 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -72.2 | -13.6 | 179.4 | -59.3 | 175.5 | 0 | 0 | 0 | 114.3 | P2763 L2767 L2798 E2831 P2832 L2836 E2837 F2838 W2864 | P2763-L2834 HydrophobicContact CB-CD2 3.75Å; P2763-L2834 HydrophobicContact CG-CD2 3.43Å; P2763-L2834 VanDerWaalsContact CG-CD2 3.43Å; L2767-L2834 HydrophobicContact CD2-CD1 4.39Å; L2798-L2834 HydrophobicContact CD2-CD1 4.13Å; E2831-L2834 HydrophobicContact CB-CD1 4.08Å; E2831-L2834 HydrophobicContact CB-CG 4.47Å; E2831-L2834 PolarHBondContact O-N 3.13Å; P2832-L2834 PolarHBondContact O-N 3.07Å; L2834-L2836 VanDerWaalsContact C-N 3.33Å; L2834-L2836 PolarHBondContact O-N 3.21Å; L2834-L2836 VanDerWaalsContact O-N 3.15Å; L2834-E2837 PolarHBondContact O-N 3.2Å; L2834-F2838 VanDerWaalsContact O-CB 3.32Å; L2834-F2838 WeakPolarHBondContact O-CB 3.3Å; L2834-F2838 PolarHBondContact O-N 3.13Å; L2834-W2864 HydrophobicContact CB-CH2 4.18Å; L2834-W2864 HydrophobicContact CB-CZ3 4.06Å; L2834-W2864 HydrophobicContact CD1-CH2 4.47Å |
| 2835 | T | 93.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -52.6 | -44 | -166.7 | -58.7 | 0 | 0 | 0 | 0 | 114 | P2832 H2833 L2839 W2864 N2867 L2868 F2871 | P2832-T2835 WeakPolarHBondContact O-CB 3.32Å; P2832-T2835 PolarHBondContact O-N 3.16Å; P2832-T2835 PolarHBondContact O-OG1 3.17Å; H2833-T2835 VanDerWaalsContact C-N 3.26Å; H2833-T2835 PolarHBondContact O-N 3.13Å; T2835-L2839 HydrophobicContact CG2-CD1 3.63Å; T2835-L2839 HydrophobicContact CG2-CG 4.24Å; T2835-L2839 VanDerWaalsContact O-CB 3.3Å; T2835-L2839 WeakPolarHBondContact O-CB 3.35Å; T2835-L2839 VanDerWaalsContact O-CG 3.27Å; T2835-L2839 WeakPolarHBondContact O-CG 3.34Å; T2835-L2839 PolarHBondContact O-N 3.2Å; T2835-W2864 HydrophobicContact CG2-CB 4.43Å; T2835-W2864 HydrophobicContact CG2-CE3 4.36Å; T2835-N2867 HydrophobicContact CG2-CB 3.86Å; T2835-N2867 VanDerWaalsContact OG1-CB 3.32Å; T2835-N2867 WeakPolarHBondContact OG1-CB 3.38Å; T2835-N2867 PolarHBondContact OG1-ND2 3.19Å; T2835-L2868 HydrophobicContact CG2-CD2 4.27Å; T2835-F2871 HydrophobicContact CG2-CE2 4.23Å |
| 2836 | L | 91.9 | Very high | 91.7 | Very high | 20.4 Ų | 20.4 | 35.9 Ų | 35.9 | 11% | 0.107 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.9 | -48.3 | -173.3 | -63.1 | -179 | 0 | 0 | 0 | 111.9 | L2834 E2840 L2868 F2871 K2881 V2882 I2885 | L2834-L2836 VanDerWaalsContact C-N 3.33Å; L2834-L2836 PolarHBondContact O-N 3.21Å; L2834-L2836 VanDerWaalsContact O-N 3.15Å; L2836-E2840 VanDerWaalsContact O-CB 3.29Å; L2836-E2840 WeakPolarHBondContact O-CB 3.27Å; L2836-E2840 PolarHBondContact O-N 3.11Å; L2836-E2840 VanDerWaalsContact O-N 3.11Å; L2836-L2868 HydrophobicContact CD2-CD2 3.94Å; L2836-F2871 HydrophobicContact CD1-CB 4.38Å; L2836-F2871 HydrophobicContact CD1-CD1 3.53Å; L2836-F2871 HydrophobicContact CD1-CE1 3.91Å; L2836-F2871 HydrophobicContact CD1-CG 3.93Å; L2836-F2871 HydrophobicContact CD2-CB 4.22Å; L2836-F2871 HydrophobicContact CD2-CD1 4.32Å; L2836-F2871 HydrophobicContact CD2-CD2 4.02Å; L2836-F2871 HydrophobicContact CD2-CE2 4.47Å; L2836-F2871 HydrophobicContact CD2-CG 3.91Å; L2836-F2871 HydrophobicContact CG-CD1 3.83Å; L2836-F2871 HydrophobicContact CG-CD2 4.15Å; L2836-F2871 HydrophobicContact CG-CE1 3.94Å; L2836-F2871 HydrophobicContact CG-CE2 4.29Å; L2836-F2871 HydrophobicContact CG-CG 3.92Å; L2836-F2871 HydrophobicContact CG-CZ 4.17Å; L2836-K2881 HydrophobicContact CD1-CB 4.34Å; L2836-K2881 HydrophobicContact CD1-CD 4.37Å; L2836-V2882 HydrophobicContact CD2-CG2 3.87Å; L2836-I2885 HydrophobicContact CB-CD1 4.25Å; L2836-I2885 HydrophobicContact CD2-CD1 3.66Å; L2836-I2885 HydrophobicContact CG-CD1 4.47Å |
| 2837 | E | 90.5 | Very high | 91.5 | Very high | 59.4 Ų | 59.4 | 35.6 Ų | 35.6 | 28% | 0.278 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.7 | -45.4 | 178.4 | -132.8 | -169.6 | 176.1 | 0 | 0 | 111.2 | V2762 P2763 G2764 T2765 L2834 L2839 E2840 E2841 | V2762-E2837 WeakPolarHBondContact CA-OE1 3.31Å; V2762-E2837 WeakPolarHBondContact CB-OE1 3.48Å; P2763-E2837 WeakPolarHBondContact CD-OE2 3.32Å; G2764-E2837 VanDerWaalsContact CA-CD 3.45Å; G2764-E2837 WeakPolarHBondContact CA-OE1 3.41Å; G2764-E2837 WeakPolarHBondContact CA-OE2 3.28Å; G2764-E2837 PolarHBondContact N-OE1 3.19Å; G2764-E2837 VanDerWaalsContact N-OE1 3.13Å; G2764-E2837 PolarHBondContact N-OE2 3.37Å; T2765-E2837 WeakPolarHBondContact CB-OE1 3.41Å; T2765-E2837 PolarHBondContact N-OE1 3.24Å; T2765-E2837 PolarHBondContact OG1-OE1 3.15Å; T2765-E2837 VanDerWaalsContact OG1-OE1 3.11Å; L2834-E2837 PolarHBondContact O-N 3.2Å; E2837-L2839 PolarHBondContact O-N 2.99Å; E2837-E2840 PolarHBondContact O-N 2.97Å; E2837-E2841 WeakPolarHBondContact O-CB 3.49Å; E2837-E2841 PolarHBondContact O-N 3.19Å; E2837-E2841 VanDerWaalsContact O-N 3.08Å |
| 2838 | F | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.3 | -48 | 179.8 | -178 | -100.3 | 0 | 0 | 0 | 111.9 | L2767 N2768 L2771 L2834 E2840 E2841 C2842 Y2860 W2864 | L2767-F2838 HydrophobicContact CB-CD2 4.23Å; L2767-F2838 HydrophobicContact CB-CE2 4.36Å; L2767-F2838 HydrophobicContact CD2-CD2 3.88Å; L2767-F2838 HydrophobicContact CD2-CE2 3.98Å; L2767-F2838 HydrophobicContact CG-CD2 4.03Å; L2767-F2838 HydrophobicContact CG-CE2 3.84Å; N2768-F2838 HydrophobicContact CB-CD2 4.14Å; N2768-F2838 HydrophobicContact CB-CE2 3.98Å; L2771-F2838 HydrophobicContact CD1-CE2 3.94Å; L2771-F2838 HydrophobicContact CD1-CZ 3.87Å; L2834-F2838 VanDerWaalsContact O-CB 3.32Å; L2834-F2838 WeakPolarHBondContact O-CB 3.3Å; L2834-F2838 PolarHBondContact O-N 3.13Å; F2838-E2840 VanDerWaalsContact C-N 3.34Å; F2838-E2840 PolarHBondContact O-N 3.18Å; F2838-E2841 PolarHBondContact O-N 3.32Å; F2838-C2842 VanDerWaalsContact CE1-SG 3.51Å; F2838-C2842 WeakPolarHBondContact CE1-SG 3.31Å; F2838-C2842 VanDerWaalsContact CZ-SG 3.54Å; F2838-C2842 WeakPolarHBondContact O-CB 3.39Å; F2838-C2842 PolarHBondContact O-N 3.25Å; F2838-C2842 PolarHBondContact O-SG 2.9Å; F2838-Y2860 HydrophobicContact CE1-CD2 4.17Å; F2838-Y2860 HydrophobicContact CE1-CE2 4.22Å; F2838-Y2860 HydrophobicContact CE2-CE2 4.45Å; F2838-Y2860 AromaticContact CZ-CD2 3.7Å; F2838-Y2860 HydrophobicContact CZ-CD2 3.7Å; F2838-Y2860 AromaticContact CZ-CE2 3.67Å; F2838-Y2860 HydrophobicContact CZ-CE2 3.67Å; F2838-W2864 HydrophobicContact CD1-CB 4.49Å; F2838-W2864 AromaticContact CD1-CD1 3.81Å; F2838-W2864 AromaticContact CD1-CD2 3.73Å; F2838-W2864 HydrophobicContact CD1-CD2 3.73Å; F2838-W2864 AromaticContact CD1-CE2 3.7Å; F2838-W2864 HydrophobicContact CD1-CE3 4.37Å; F2838-W2864 AromaticContact CD1-CG 3.79Å; F2838-W2864 HydrophobicContact CD1-CG 3.79Å; F2838-W2864 HydrophobicContact CD1-CZ2 4.31Å; F2838-W2864 AromaticContact CD1-NE1 3.75Å; F2838-W2864 AromaticContact CE1-CD1 3.42Å; F2838-W2864 VanDerWaalsContact CE1-CD1 3.43Å; F2838-W2864 HydrophobicContact CE1-CD2 4.08Å; F2838-W2864 AromaticContact CE1-CE2 3.73Å; F2838-W2864 AromaticContact CE1-CG 3.9Å; F2838-W2864 HydrophobicContact CE1-CG 3.9Å; F2838-W2864 HydrophobicContact CE1-CZ2 4.44Å; F2838-W2864 AromaticContact CE1-NE1 3.31Å; F2838-W2864 VanDerWaalsContact CE1-NE1 3.31Å; F2838-W2864 HydrophobicContact CG-CD2 4.45Å; F2838-W2864 HydrophobicContact CG-CZ2 4.46Å; F2838-W2864 AromaticContact CZ-NE1 3.92Å |
| 2839 | L | 95.4 | Very high | 91.1 | Very high | 0.4 Ų | 0.4 | 46 Ų | 46 | 0% | 0.002 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.6 | -40.7 | 178 | -72.6 | 176.3 | 0 | 0 | 0 | 112.2 | T2835 E2837 E2841 C2842 I2843 I2861 W2864 L2865 L2868 I2885 | T2835-L2839 HydrophobicContact CG2-CD1 3.63Å; T2835-L2839 HydrophobicContact CG2-CG 4.24Å; T2835-L2839 VanDerWaalsContact O-CB 3.3Å; T2835-L2839 WeakPolarHBondContact O-CB 3.35Å; T2835-L2839 VanDerWaalsContact O-CG 3.27Å; T2835-L2839 WeakPolarHBondContact O-CG 3.34Å; T2835-L2839 PolarHBondContact O-N 3.2Å; E2837-L2839 PolarHBondContact O-N 2.99Å; L2839-E2841 VanDerWaalsContact C-N 3.34Å; L2839-E2841 PolarHBondContact O-N 3.09Å; L2839-C2842 PolarHBondContact O-N 3.2Å; L2839-I2843 VanDerWaalsContact O-CD1 3.3Å; L2839-I2843 WeakPolarHBondContact O-CD1 3.35Å; L2839-I2843 VanDerWaalsContact O-CG1 3.22Å; L2839-I2843 WeakPolarHBondContact O-CG1 3.3Å; L2839-I2843 PolarHBondContact O-N 3.2Å; L2839-I2843 VanDerWaalsContact O-N 3.07Å; L2839-I2861 HydrophobicContact CD2-CB 4.02Å; L2839-I2861 HydrophobicContact CD2-CD1 3.78Å; L2839-I2861 HydrophobicContact CD2-CG1 3.34Å; L2839-I2861 HydrophobicContact CD2-CG2 4.08Å; L2839-W2864 HydrophobicContact CD1-CB 4.38Å; L2839-W2864 HydrophobicContact CD2-CB 3.91Å; L2839-W2864 HydrophobicContact CG-CB 4.24Å; L2839-L2865 HydrophobicContact CD1-CD2 4.32Å; L2839-L2865 HydrophobicContact CD2-CD2 4.04Å; L2839-L2868 HydrophobicContact CD1-CD1 4.17Å; L2839-L2868 HydrophobicContact CD1-CD2 3.75Å; L2839-L2868 HydrophobicContact CD1-CG 4Å; L2839-I2885 HydrophobicContact CB-CD1 4.37Å; L2839-I2885 HydrophobicContact CB-CG2 4.24Å; L2839-I2885 HydrophobicContact CD1-CG2 4.38Å |
| 2840 | E | 92.3 | Very high | 91.1 | Very high | 67.2 Ų | 67.2 | 43 Ų | 43 | 31% | 0.314 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.6 | -45.9 | 179.4 | 176.6 | 150.1 | -137.3 | 0 | 0 | 112 | L2836 E2837 F2838 Q2844 K2888 | L2836-E2840 VanDerWaalsContact O-CB 3.29Å; L2836-E2840 WeakPolarHBondContact O-CB 3.27Å; L2836-E2840 PolarHBondContact O-N 3.11Å; L2836-E2840 VanDerWaalsContact O-N 3.11Å; E2837-E2840 PolarHBondContact O-N 2.97Å; F2838-E2840 VanDerWaalsContact C-N 3.34Å; F2838-E2840 PolarHBondContact O-N 3.18Å; E2840-Q2844 WeakPolarHBondContact O-CB 3.35Å; E2840-Q2844 PolarHBondContact O-N 3.1Å; E2840-Q2844 VanDerWaalsContact O-N 3.13Å; E2840-K2888 IonicContact OE1-NZ 3.45Å; E2840-K2888 PolarHBondContact OE1-NZ 3.2Å |
| 2841 | E | 92 | Very high | 91.1 | Very high | 53.4 Ų | 53.4 | 43.1 Ų | 43.1 | 25% | 0.25 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.5 | -38.3 | 176.5 | -172.9 | 64.4 | -152.1 | 0 | 0 | 112.2 | T2765 N2768 E2837 F2838 L2839 I2843 Q2844 G2845 | T2765-E2841 HydrophobicContact CG2-CG 3.93Å; T2765-E2841 VanDerWaalsContact CG2-OE2 3.29Å; T2765-E2841 WeakPolarHBondContact CG2-OE2 3.38Å; T2765-E2841 PolarHBondContact OG1-OE2 3.31Å; T2765-E2841 VanDerWaalsContact OG1-OE2 3.05Å; N2768-E2841 HydrophobicContact CB-CB 4.43Å; N2768-E2841 HydrophobicContact CB-CG 4.16Å; N2768-E2841 PolarHBondContact ND2-O 3.45Å; E2837-E2841 WeakPolarHBondContact O-CB 3.49Å; E2837-E2841 PolarHBondContact O-N 3.19Å; E2837-E2841 VanDerWaalsContact O-N 3.08Å; F2838-E2841 PolarHBondContact O-N 3.32Å; L2839-E2841 VanDerWaalsContact C-N 3.34Å; L2839-E2841 PolarHBondContact O-N 3.09Å; E2841-I2843 VanDerWaalsContact C-N 3.32Å; E2841-I2843 PolarHBondContact O-N 3.16Å; E2841-Q2844 CarbonylContact O-C 3.49Å; E2841-Q2844 PolarHBondContact O-N 2.96Å; E2841-Q2844 VanDerWaalsContact O-N 3.14Å; E2841-G2845 PolarHBondContact O-N 3.18Å |
| 2842 | C | 94.3 | Very high | 91.1 | Very high | 0.8 Ų | 0.8 | 48.7 Ų | 48.7 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.8 | -44.2 | 177.6 | -136.4 | 0 | 0 | 0 | 0 | 111.9 | N2768 F2838 L2839 Q2844 G2845 F2846 Y2860 I2861 | N2768-C2842 VanDerWaalsContact OD1-CA 3.28Å; N2768-C2842 WeakPolarHBondContact OD1-CA 3.26Å; N2768-C2842 VanDerWaalsContact OD1-CB 3.3Å; N2768-C2842 WeakPolarHBondContact OD1-CB 3.42Å; N2768-C2842 PolarHBondContact OD1-SG 2.98Å; F2838-C2842 VanDerWaalsContact CE1-SG 3.51Å; F2838-C2842 WeakPolarHBondContact CE1-SG 3.31Å; F2838-C2842 VanDerWaalsContact CZ-SG 3.54Å; F2838-C2842 WeakPolarHBondContact O-CB 3.39Å; F2838-C2842 PolarHBondContact O-N 3.25Å; F2838-C2842 PolarHBondContact O-SG 2.9Å; L2839-C2842 PolarHBondContact O-N 3.2Å; C2842-Q2844 VanDerWaalsContact C-N 3.34Å; C2842-Q2844 PolarHBondContact O-N 3.27Å; C2842-G2845 PolarHBondContact O-N 3.32Å; C2842-F2846 WeakPolarHBondContact O-CB 3.39Å; C2842-F2846 PolarHBondContact O-N 2.98Å; C2842-Y2860 HydrophobicContact CB-CE2 4.48Å; C2842-Y2860 VanDerWaalsContact SG-CE2 3.53Å; C2842-Y2860 WeakPolarHBondContact SG-CE2 3.15Å; C2842-Y2860 PolarHBondContact SG-OH 3.17Å; C2842-Y2860 VanDerWaalsContact SG-OH 3.37Å; C2842-I2861 HydrophobicContact CB-CD1 4.16Å; C2842-I2861 HydrophobicContact CB-CG1 4.3Å; C2842-I2861 HydrophobicContact CB-CG2 3.6Å; C2842-I2861 VanDerWaalsContact SG-CD1 3.51Å; C2842-I2861 WeakPolarHBondContact SG-CG1 3.21Å |
| 2843 | I | 93.5 | Very high | 91.1 | Very high | 13.4 Ų | 13.4 | 49 Ų | 49 | 7% | 0.069 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.6 | -38.6 | 177.4 | -62.4 | 160.1 | 0 | 0 | 0 | 110.5 | L2839 E2841 G2845 F2846 I2861 I2885 K2888 L2889 L2892 | L2839-I2843 VanDerWaalsContact O-CD1 3.3Å; L2839-I2843 WeakPolarHBondContact O-CD1 3.35Å; L2839-I2843 VanDerWaalsContact O-CG1 3.22Å; L2839-I2843 WeakPolarHBondContact O-CG1 3.3Å; L2839-I2843 PolarHBondContact O-N 3.2Å; L2839-I2843 VanDerWaalsContact O-N 3.07Å; E2841-I2843 VanDerWaalsContact C-N 3.32Å; E2841-I2843 PolarHBondContact O-N 3.16Å; I2843-G2845 PolarHBondContact O-N 3.04Å; I2843-F2846 WeakPolarHBondContact O-CB 3.4Å; I2843-F2846 PolarHBondContact O-N 3.12Å; I2843-I2861 HydrophobicContact CG1-CD1 4.21Å; I2843-I2885 HydrophobicContact CD1-CG2 4.02Å; I2843-K2888 HydrophobicContact CD1-CB 4.32Å; I2843-K2888 HydrophobicContact CG2-CB 3.95Å; I2843-L2889 HydrophobicContact CD1-CD2 3.57Å; I2843-L2889 HydrophobicContact CD1-CG 3.72Å; I2843-L2889 HydrophobicContact CG1-CD2 3.81Å; I2843-L2889 HydrophobicContact CG1-CG 4.45Å; I2843-L2892 HydrophobicContact CG2-CB 4.45Å; I2843-L2892 HydrophobicContact CG2-CD1 3.96Å |
| 2844 | Q | 89.9 | Confident | 91.5 | Very high | 85.8 Ų | 85.8 | 44.7 Ų | 44.7 | 40% | 0.401 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.2 | -37.5 | 177.3 | -172.7 | 94.4 | 45.3 | 0 | 0 | 112.7 | E2840 E2841 C2842 F2846 S2847 | E2840-Q2844 WeakPolarHBondContact O-CB 3.35Å; E2840-Q2844 PolarHBondContact O-N 3.1Å; E2840-Q2844 VanDerWaalsContact O-N 3.13Å; E2841-Q2844 CarbonylContact O-C 3.49Å; E2841-Q2844 PolarHBondContact O-N 2.96Å; E2841-Q2844 VanDerWaalsContact O-N 3.14Å; C2842-Q2844 VanDerWaalsContact C-N 3.34Å; C2842-Q2844 PolarHBondContact O-N 3.27Å; Q2844-F2846 VanDerWaalsContact C-N 3.33Å; Q2844-S2847 PolarHBondContact NE2-OG 3.05Å; Q2844-S2847 PolarHBondContact O-OG 3.16Å; Q2844-S2847 VanDerWaalsContact O-OG 3.05Å |
| 2845 | G | 88.7 | Confident | 91.6 | Very high | 10.8 Ų | 10.8 | 48.8 Ų | 48.8 | 11% | 0.111 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -73 | -27.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | E2841 C2842 I2843 S2847 R2848 S2849 | E2841-G2845 PolarHBondContact O-N 3.18Å; C2842-G2845 PolarHBondContact O-N 3.32Å; I2843-G2845 PolarHBondContact O-N 3.04Å; G2845-S2847 VanDerWaalsContact C-N 3.35Å; G2845-S2847 PolarHBondContact O-N 3.23Å; G2845-R2848 PolarHBondContact O-N 3.05Å; G2845-R2848 VanDerWaalsContact O-N 3.13Å; G2845-S2849 PolarHBondContact O-N 3.2Å; G2845-S2849 PolarHBondContact O-OG 3.25Å |
| 2846 | F | 92.7 | Very high | 91.6 | Very high | 3.4 Ų | 3.4 | 49.2 Ų | 49.2 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.3 | -49.5 | 179.8 | -169 | -83.2 | 0 | 0 | 0 | 112.2 | C2842 I2843 Q2844 R2848 S2849 K2854 C2857 L2858 L2892 E2896 M2899 | C2842-F2846 WeakPolarHBondContact O-CB 3.39Å; C2842-F2846 PolarHBondContact O-N 2.98Å; I2843-F2846 WeakPolarHBondContact O-CB 3.4Å; I2843-F2846 PolarHBondContact O-N 3.12Å; Q2844-F2846 VanDerWaalsContact C-N 3.33Å; F2846-R2848 PolarHBondContact O-N 3.19Å; F2846-R2848 VanDerWaalsContact O-N 3.1Å; F2846-S2849 WeakPolarHBondContact O-CB 3.33Å; F2846-S2849 PolarHBondContact O-N 3.28Å; F2846-K2854 HydrophobicContact CD1-CD 4.2Å; F2846-K2854 HydrophobicContact CD1-CG 4.01Å; F2846-K2854 HydrophobicContact CD2-CB 4.36Å; F2846-K2854 HydrophobicContact CD2-CG 4.3Å; F2846-K2854 HydrophobicContact CE1-CB 4.11Å; F2846-K2854 HydrophobicContact CE1-CD 3.71Å; F2846-K2854 HydrophobicContact CE1-CG 3.71Å; F2846-K2854 HydrophobicContact CE2-CB 3.8Å; F2846-K2854 HydrophobicContact CE2-CG 4.02Å; F2846-K2854 VanDerWaalsContact CE2-O 3.3Å; F2846-K2854 WeakPolarHBondContact CE2-O 3.3Å; F2846-K2854 HydrophobicContact CG-CG 4.3Å; F2846-K2854 HydrophobicContact CZ-CB 3.61Å; F2846-K2854 HydrophobicContact CZ-CD 4.07Å; F2846-K2854 HydrophobicContact CZ-CG 3.72Å; F2846-K2854 WeakPolarHBondContact O-CE 3.34Å; F2846-K2854 WeakPolarHBondContact O-CG 3.4Å; F2846-C2857 HydrophobicContact CD2-CB 3.72Å; F2846-C2857 HydrophobicContact CE2-CB 4.09Å; F2846-L2858 HydrophobicContact CE2-CD2 3.75Å; F2846-L2858 HydrophobicContact CE2-CG 3.9Å; F2846-L2858 HydrophobicContact CZ-CD2 4.16Å; F2846-L2858 HydrophobicContact CZ-CG 4.3Å; F2846-L2892 HydrophobicContact CB-CD1 3.95Å; F2846-L2892 HydrophobicContact CD1-CD1 3.6Å; F2846-L2892 HydrophobicContact CD1-CG 4.09Å; F2846-L2892 HydrophobicContact CD2-CD1 4.27Å; F2846-L2892 HydrophobicContact CE1-CD1 4.15Å; F2846-L2892 HydrophobicContact CE1-CD2 4.39Å; F2846-L2892 HydrophobicContact CE1-CG 4.29Å; F2846-L2892 HydrophobicContact CG-CD1 3.67Å; F2846-L2892 HydrophobicContact CZ-CD2 4.48Å; F2846-E2896 HydrophobicContact CD1-CG 4.2Å; F2846-E2896 HydrophobicContact CE1-CB 4.46Å; F2846-E2896 HydrophobicContact CE1-CG 3.78Å; F2846-M2899 HydrophobicContact CZ-CE 4.43Å; F2846-M2899 HydrophobicContact CZ-CG 4.45Å; F2846-M2899 HydrophobicContact CZ-SD 4.29Å |
| 2847 | S | 86.1 | Confident | 91.7 | Very high | 62 Ų | 62 | 48.3 Ų | 48.3 | 43% | 0.434 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -22.4 | -178.7 | 62.4 | 0 | 0 | 0 | 0 | 114.1 | Q2844 G2845 | Q2844-S2847 PolarHBondContact NE2-OG 3.05Å; Q2844-S2847 PolarHBondContact O-OG 3.16Å; Q2844-S2847 VanDerWaalsContact O-OG 3.05Å; G2845-S2847 VanDerWaalsContact C-N 3.35Å; G2845-S2847 PolarHBondContact O-N 3.23Å |
| 2848 | R | 88.1 | Confident | 91.9 | Very high | 198.8 Ų | 198.8 | 45.6 Ų | 45.6 | 75% | 0.75 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -0.3 | -179.1 | -60.1 | -178.8 | 179.9 | 179.6 | 0.1 | 113.7 | G2845 F2846 | G2845-R2848 PolarHBondContact O-N 3.05Å; G2845-R2848 VanDerWaalsContact O-N 3.13Å; F2846-R2848 PolarHBondContact O-N 3.19Å; F2846-R2848 VanDerWaalsContact O-N 3.1Å |
| 2849 | S | 90.5 | Very high | 91.8 | Very high | 21 Ų | 21 | 48.7 Ų | 48.7 | 15% | 0.147 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -93.2 | 152.8 | -174.4 | -66.2 | 0 | 0 | 0 | 0 | 112.5 | G2845 F2846 K2854 | G2845-S2849 PolarHBondContact O-N 3.2Å; G2845-S2849 PolarHBondContact O-OG 3.25Å; F2846-S2849 WeakPolarHBondContact O-CB 3.33Å; F2846-S2849 PolarHBondContact O-N 3.28Å; S2849-K2854 VanDerWaalsContact O-CE 3.27Å; S2849-K2854 WeakPolarHBondContact O-CE 3.29Å |
| 2850 | S | 91.5 | Very high | 91.8 | Very high | 60.2 Ų | 60.2 | 48.7 Ų | 48.7 | 42% | 0.421 | 24% | 0.24 | S | C | . | . | trans | -67.2 | 164.7 | 170.4 | 73.7 | 0 | 0 | 0 | 0 | 111.3 | E2852 M2853 K2854 | S2850-E2852 VanDerWaalsContact C-N 3.29Å; S2850-E2852 WeakPolarHBondContact CB-OE2 3.33Å; S2850-E2852 PolarHBondContact O-N 3.12Å; S2850-E2852 PolarHBondContact OG-OE2 3.19Å; S2850-M2853 CarbonylContact O-C 3.59Å; S2850-M2853 PolarHBondContact O-N 2.96Å; S2850-M2853 VanDerWaalsContact O-N 3.13Å; S2850-M2853 VanDerWaalsContact OG-CG 3.31Å; S2850-M2853 WeakPolarHBondContact OG-CG 3.42Å; S2850-M2853 PolarHBondContact OG-N 3.09Å; S2850-K2854 WeakPolarHBondContact O-CB 3.35Å; S2850-K2854 WeakPolarHBondContact O-CG 3.33Å; S2850-K2854 PolarHBondContact O-N 3.3Å | ||
| 2851 | I | 90.1 | Very high | 91.9 | Very high | 85.4 Ų | 85.4 | 45.7 Ų | 45.7 | 44% | 0.438 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.3 | -38.8 | -176.2 | -61.7 | 171.8 | 0 | 0 | 0 | 111.5 | K2854 H2855 M2899 | I2851-K2854 WeakPolarHBondContact O-CB 3.45Å; I2851-K2854 PolarHBondContact O-N 3.31Å; I2851-H2855 PolarHBondContact O-CD2 3.04Å; I2851-H2855 VanDerWaalsContact O-CD2 3.24Å; I2851-H2855 PolarHBondContact O-N 3.23Å; I2851-H2855 VanDerWaalsContact O-N 3.11Å; I2851-H2855 PolarHBondContact O-ND1 2.84Å; I2851-M2899 HydrophobicContact CG2-SD 4.2Å |
| 2852 | E | 89.6 | Confident | 92 | Very high | 138.2 Ų | 138.2 | 44.3 Ų | 44.3 | 65% | 0.646 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -63.7 | -44.5 | 176 | -53.3 | 114.5 | 177.5 | 0 | 0 | 111.4 | S2850 K2854 H2855 L2856 | S2850-E2852 VanDerWaalsContact C-N 3.29Å; S2850-E2852 WeakPolarHBondContact CB-OE2 3.33Å; S2850-E2852 PolarHBondContact O-N 3.12Å; S2850-E2852 PolarHBondContact OG-OE2 3.19Å; E2852-K2854 VanDerWaalsContact C-N 3.34Å; E2852-K2854 PolarHBondContact O-N 2.71Å; E2852-H2855 WeakPolarHBondContact O-CB 3.33Å; E2852-H2855 PolarHBondContact O-N 2.99Å; E2852-L2856 PolarHBondContact O-N 3.16Å; E2852-L2856 VanDerWaalsContact O-N 3.07Å |
| 2853 | M | 91.2 | Very high | 92.1 | Very high | 31 Ų | 31 | 45.6 Ų | 45.6 | 15% | 0.153 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.1 | -32.5 | 178 | -64.9 | -73.1 | 88.5 | 0 | 0 | 111.9 | L2772 G2775 S2850 H2855 L2856 C2857 | L2772-M2853 HydrophobicContact CD1-CB 4.23Å; L2772-M2853 HydrophobicContact CD1-CE 3.7Å; L2772-M2853 HydrophobicContact CD2-CE 4.26Å; L2772-M2853 HydrophobicContact CG-CE 3.78Å; L2772-M2853 VanDerWaalsContact O-CE 3.31Å; L2772-M2853 WeakPolarHBondContact O-CE 3.4Å; G2775-M2853 VanDerWaalsContact O-CE 3.23Å; G2775-M2853 WeakPolarHBondContact O-CE 3.33Å; S2850-M2853 CarbonylContact O-C 3.59Å; S2850-M2853 PolarHBondContact O-N 2.96Å; S2850-M2853 VanDerWaalsContact O-N 3.13Å; S2850-M2853 VanDerWaalsContact OG-CG 3.31Å; S2850-M2853 WeakPolarHBondContact OG-CG 3.42Å; S2850-M2853 PolarHBondContact OG-N 3.09Å; M2853-H2855 VanDerWaalsContact C-N 3.34Å; M2853-H2855 PolarHBondContact O-N 2.94Å; M2853-L2856 HydrophobicContact CE-CD2 4.28Å; M2853-L2856 WeakPolarHBondContact O-CB 3.37Å; M2853-L2856 PolarHBondContact O-N 3.1Å; M2853-L2856 HydrophobicContact SD-CD2 4.13Å; M2853-C2857 WeakPolarHBondContact O-CB 3.44Å; M2853-C2857 PolarHBondContact O-N 3.15Å; M2853-C2857 PolarHBondContact O-SG 2.94Å |
| 2854 | K | 93.3 | Very high | 92.2 | Very high | 24 Ų | 24 | 44.9 Ų | 44.9 | 10% | 0.104 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | 171.3 | -76.2 | 176 | 169.4 | -176.7 | 0 | 111.8 | F2846 S2849 S2850 I2851 E2852 L2856 C2857 L2858 E2896 M2899 | F2846-K2854 HydrophobicContact CD1-CD 4.2Å; F2846-K2854 HydrophobicContact CD1-CG 4.01Å; F2846-K2854 HydrophobicContact CD2-CB 4.36Å; F2846-K2854 HydrophobicContact CD2-CG 4.3Å; F2846-K2854 HydrophobicContact CE1-CB 4.11Å; F2846-K2854 HydrophobicContact CE1-CD 3.71Å; F2846-K2854 HydrophobicContact CE1-CG 3.71Å; F2846-K2854 HydrophobicContact CE2-CB 3.8Å; F2846-K2854 HydrophobicContact CE2-CG 4.02Å; F2846-K2854 VanDerWaalsContact CE2-O 3.3Å; F2846-K2854 WeakPolarHBondContact CE2-O 3.3Å; F2846-K2854 HydrophobicContact CG-CG 4.3Å; F2846-K2854 HydrophobicContact CZ-CB 3.61Å; F2846-K2854 HydrophobicContact CZ-CD 4.07Å; F2846-K2854 HydrophobicContact CZ-CG 3.72Å; F2846-K2854 WeakPolarHBondContact O-CE 3.34Å; F2846-K2854 WeakPolarHBondContact O-CG 3.4Å; S2849-K2854 VanDerWaalsContact O-CE 3.27Å; S2849-K2854 WeakPolarHBondContact O-CE 3.29Å; S2850-K2854 WeakPolarHBondContact O-CB 3.35Å; S2850-K2854 WeakPolarHBondContact O-CG 3.33Å; S2850-K2854 PolarHBondContact O-N 3.3Å; I2851-K2854 WeakPolarHBondContact O-CB 3.45Å; I2851-K2854 PolarHBondContact O-N 3.31Å; E2852-K2854 VanDerWaalsContact C-N 3.34Å; E2852-K2854 PolarHBondContact O-N 2.71Å; K2854-L2856 VanDerWaalsContact C-N 3.33Å; K2854-C2857 WeakPolarHBondContact O-CB 3.12Å; K2854-C2857 PolarHBondContact O-N 3.22Å; K2854-L2858 WeakPolarHBondContact O-CG 3.27Å; K2854-L2858 PolarHBondContact O-N 3.16Å; K2854-L2858 VanDerWaalsContact O-N 3.15Å; K2854-E2896 VanDerWaalsContact CE-OE1 3.28Å; K2854-E2896 WeakPolarHBondContact CE-OE1 3.33Å; K2854-E2896 WeakPolarHBondContact CE-OE2 3.36Å; K2854-E2896 IonicContact NZ-OE1 3.53Å; K2854-E2896 PolarHBondContact NZ-OE1 2.93Å; K2854-E2896 IonicContact NZ-OE2 3.23Å; K2854-E2896 PolarHBondContact NZ-OE2 3.08Å; K2854-M2899 HydrophobicContact CB-CE 3.96Å; K2854-M2899 HydrophobicContact CB-CG 4.44Å; K2854-M2899 HydrophobicContact CB-SD 3.89Å; K2854-M2899 VanDerWaalsContact CB-SD 3.56Å; K2854-M2899 WeakPolarHBondContact CB-SD 3.36Å; K2854-M2899 HydrophobicContact CD-CG 4.3Å; K2854-M2899 HydrophobicContact CD-SD 4.01Å; K2854-M2899 HydrophobicContact CG-SD 4.4Å |
| 2855 | H | 92.9 | Very high | 92.4 | Very high | 88.2 Ų | 88.2 | 40.9 Ų | 40.9 | 41% | 0.408 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.4 | -45.5 | 172.9 | -79.1 | -36.6 | 0 | 0 | 0 | 111.6 | I2851 E2852 M2853 C2857 L2858 E2859 M2899 | I2851-H2855 PolarHBondContact O-CD2 3.04Å; I2851-H2855 VanDerWaalsContact O-CD2 3.24Å; I2851-H2855 PolarHBondContact O-N 3.23Å; I2851-H2855 VanDerWaalsContact O-N 3.11Å; I2851-H2855 PolarHBondContact O-ND1 2.84Å; E2852-H2855 WeakPolarHBondContact O-CB 3.33Å; E2852-H2855 PolarHBondContact O-N 2.99Å; M2853-H2855 VanDerWaalsContact C-N 3.34Å; M2853-H2855 PolarHBondContact O-N 2.94Å; H2855-C2857 VanDerWaalsContact C-N 3.34Å; H2855-C2857 PolarHBondContact O-N 3.16Å; H2855-L2858 PolarHBondContact O-N 3.18Å; H2855-E2859 PolarHBondContact O-N 3.03Å; H2855-M2899 HydrophobicContact CB-CE 4.41Å; H2855-M2899 VanDerWaalsContact CE1-CE 3.48Å; H2855-M2899 WeakPolarHBondContact CE1-CE 3.25Å; H2855-M2899 VanDerWaalsContact CE1-SD 3.58Å; H2855-M2899 WeakPolarHBondContact ND1-CE 3.13Å |
| 2856 | L | 93.6 | Very high | 92.6 | Very high | 8.8 Ų | 8.8 | 42.1 Ų | 42.1 | 5% | 0.046 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.3 | -43.3 | 175.3 | 174.9 | 62.7 | 0 | 0 | 0 | 112.3 | T2817 I2820 E2852 M2853 K2854 L2858 E2859 Y2860 | T2817-L2856 HydrophobicContact CG2-CD1 3.85Å; I2820-L2856 HydrophobicContact CB-CD1 4.28Å; I2820-L2856 HydrophobicContact CD1-CD1 3.98Å; I2820-L2856 HydrophobicContact CD1-CD2 3.93Å; I2820-L2856 HydrophobicContact CG2-CD1 4.14Å; E2852-L2856 PolarHBondContact O-N 3.16Å; E2852-L2856 VanDerWaalsContact O-N 3.07Å; M2853-L2856 HydrophobicContact CE-CD2 4.28Å; M2853-L2856 WeakPolarHBondContact O-CB 3.37Å; M2853-L2856 PolarHBondContact O-N 3.1Å; M2853-L2856 HydrophobicContact SD-CD2 4.13Å; K2854-L2856 VanDerWaalsContact C-N 3.33Å; L2856-L2858 VanDerWaalsContact C-N 3.33Å; L2856-L2858 PolarHBondContact O-N 3.23Å; L2856-E2859 PolarHBondContact O-N 3.35Å; L2856-E2859 VanDerWaalsContact O-N 3.12Å; L2856-Y2860 HydrophobicContact CD1-CD1 4.26Å; L2856-Y2860 HydrophobicContact CG-CD1 3.98Å; L2856-Y2860 HydrophobicContact CG-CE1 4.17Å; L2856-Y2860 WeakPolarHBondContact O-CD1 3.35Å; L2856-Y2860 PolarHBondContact O-N 3.04Å; L2856-Y2860 VanDerWaalsContact O-N 3.09Å |
| 2857 | C | 94.4 | Very high | 92.7 | Very high | 1.4 Ų | 1.4 | 42.6 Ų | 42.6 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.7 | -44.1 | 176 | -103.3 | 0 | 0 | 0 | 0 | 112.2 | L2772 F2846 M2853 K2854 H2855 E2859 Y2860 I2861 | L2772-C2857 VanDerWaalsContact CD1-SG 3.51Å; L2772-C2857 WeakPolarHBondContact CD1-SG 3.36Å; F2846-C2857 HydrophobicContact CD2-CB 3.72Å; F2846-C2857 HydrophobicContact CE2-CB 4.09Å; M2853-C2857 WeakPolarHBondContact O-CB 3.44Å; M2853-C2857 PolarHBondContact O-N 3.15Å; M2853-C2857 PolarHBondContact O-SG 2.94Å; K2854-C2857 WeakPolarHBondContact O-CB 3.12Å; K2854-C2857 PolarHBondContact O-N 3.22Å; H2855-C2857 VanDerWaalsContact C-N 3.34Å; H2855-C2857 PolarHBondContact O-N 3.16Å; C2857-E2859 VanDerWaalsContact C-N 3.29Å; C2857-E2859 PolarHBondContact O-N 3.14Å; C2857-Y2860 VanDerWaalsContact CA-CE1 3.48Å; C2857-Y2860 HydrophobicContact CB-CE1 4.21Å; C2857-Y2860 PolarHBondContact O-N 3.24Å; C2857-Y2860 PolarHBondContact SG-OH 3.41Å; C2857-I2861 HydrophobicContact CB-CD1 4.3Å; C2857-I2861 VanDerWaalsContact O-CB 3.26Å; C2857-I2861 WeakPolarHBondContact O-CB 3.34Å; C2857-I2861 WeakPolarHBondContact O-CD1 3.11Å; C2857-I2861 WeakPolarHBondContact O-CG1 3.31Å; C2857-I2861 VanDerWaalsContact O-CG2 3.3Å; C2857-I2861 WeakPolarHBondContact O-CG2 3.41Å; C2857-I2861 PolarHBondContact O-N 3.14Å |
| 2858 | L | 94.3 | Very high | 93 | Very high | 3.2 Ų | 3.2 | 39.7 Ų | 39.7 | 2% | 0.017 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.5 | -35.8 | 176.6 | -65.3 | -176 | 0 | 0 | 0 | 112.6 | F2846 K2854 H2855 L2856 I2861 T2862 M2899 I2903 K2906 I2907 | F2846-L2858 HydrophobicContact CE2-CD2 3.75Å; F2846-L2858 HydrophobicContact CE2-CG 3.9Å; F2846-L2858 HydrophobicContact CZ-CD2 4.16Å; F2846-L2858 HydrophobicContact CZ-CG 4.3Å; K2854-L2858 WeakPolarHBondContact O-CG 3.27Å; K2854-L2858 PolarHBondContact O-N 3.16Å; K2854-L2858 VanDerWaalsContact O-N 3.15Å; H2855-L2858 PolarHBondContact O-N 3.18Å; L2856-L2858 VanDerWaalsContact C-N 3.33Å; L2856-L2858 PolarHBondContact O-N 3.23Å; L2858-I2861 HydrophobicContact CD2-CD1 4.17Å; L2858-T2862 PolarHBondContact O-N 3.26Å; L2858-T2862 PolarHBondContact O-OG1 3.05Å; L2858-M2899 HydrophobicContact CD1-CE 3.73Å; L2858-M2899 HydrophobicContact CG-CE 4.42Å; L2858-I2903 HydrophobicContact CD1-CG1 4.15Å; L2858-I2903 HydrophobicContact CD2-CG1 4.22Å; L2858-K2906 HydrophobicContact CB-CB 4.21Å; L2858-K2906 HydrophobicContact CB-CG 4.21Å; L2858-I2907 HydrophobicContact CD2-CD1 3.69Å; L2858-I2907 HydrophobicContact CD2-CG1 4.1Å |
| 2859 | E | 93.9 | Very high | 93.1 | Very high | 65 Ų | 65 | 31.8 Ų | 31.8 | 30% | 0.304 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67.7 | -49.7 | 176.6 | -63.4 | -60.9 | 166.6 | 0 | 0 | 111.9 | T2817 H2855 L2856 C2857 I2861 T2862 P2863 K2906 | T2817-E2859 HydrophobicContact CG2-CB 4.46Å; T2817-E2859 HydrophobicContact CG2-CG 4.29Å; H2855-E2859 PolarHBondContact O-N 3.03Å; L2856-E2859 PolarHBondContact O-N 3.35Å; L2856-E2859 VanDerWaalsContact O-N 3.12Å; C2857-E2859 VanDerWaalsContact C-N 3.29Å; C2857-E2859 PolarHBondContact O-N 3.14Å; E2859-I2861 PolarHBondContact O-N 3.16Å; E2859-T2862 PolarHBondContact O-N 3.37Å; E2859-P2863 WeakPolarHBondContact O-CD 3.36Å; E2859-K2906 WeakPolarHBondContact OE1-CE 3.36Å; E2859-K2906 IonicContact OE1-NZ 3.19Å; E2859-K2906 PolarHBondContact OE1-NZ 3.21Å; E2859-K2906 IonicContact OE2-NZ 3.14Å; E2859-K2906 PolarHBondContact OE2-NZ 3.2Å |
| 2860 | Y | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -81.5 | -18.5 | -174.9 | 77.3 | -113.1 | 0 | 0 | 0 | 114.6 | N2768 L2771 L2772 I2820 S2824 F2838 C2842 L2856 C2857 P2863 | N2768-Y2860 PolarHBondContact OD1-OH 3.11Å; N2768-Y2860 VanDerWaalsContact OD1-OH 3.1Å; L2771-Y2860 HydrophobicContact CD1-CD2 4.44Å; L2772-Y2860 HydrophobicContact CD1-CE1 4.41Å; I2820-Y2860 HydrophobicContact CG2-CD1 4.07Å; I2820-Y2860 HydrophobicContact CG2-CG 4.4Å; S2824-Y2860 PolarHBondContact OG-O 2.94Å; F2838-Y2860 HydrophobicContact CE1-CD2 4.17Å; F2838-Y2860 HydrophobicContact CE1-CE2 4.22Å; F2838-Y2860 HydrophobicContact CE2-CE2 4.45Å; F2838-Y2860 AromaticContact CZ-CD2 3.7Å; F2838-Y2860 HydrophobicContact CZ-CD2 3.7Å; F2838-Y2860 AromaticContact CZ-CE2 3.67Å; F2838-Y2860 HydrophobicContact CZ-CE2 3.67Å; C2842-Y2860 HydrophobicContact CB-CE2 4.48Å; C2842-Y2860 VanDerWaalsContact SG-CE2 3.53Å; C2842-Y2860 WeakPolarHBondContact SG-CE2 3.15Å; C2842-Y2860 PolarHBondContact SG-OH 3.17Å; C2842-Y2860 VanDerWaalsContact SG-OH 3.37Å; L2856-Y2860 HydrophobicContact CD1-CD1 4.26Å; L2856-Y2860 HydrophobicContact CG-CD1 3.98Å; L2856-Y2860 HydrophobicContact CG-CE1 4.17Å; L2856-Y2860 WeakPolarHBondContact O-CD1 3.35Å; L2856-Y2860 PolarHBondContact O-N 3.04Å; L2856-Y2860 VanDerWaalsContact O-N 3.09Å; C2857-Y2860 VanDerWaalsContact CA-CE1 3.48Å; C2857-Y2860 HydrophobicContact CB-CE1 4.21Å; C2857-Y2860 PolarHBondContact O-N 3.24Å; C2857-Y2860 PolarHBondContact SG-OH 3.41Å; Y2860-P2863 WeakPolarHBondContact O-CD 3.34Å |
| 2861 | I | 95.2 | Very high | 92.7 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -75.2 | -32.2 | 173.1 | -150.3 | 177.1 | 0 | 0 | 0 | 112.2 | L2839 C2842 I2843 C2857 L2858 E2859 P2863 W2864 L2865 I2907 | L2839-I2861 HydrophobicContact CD2-CB 4.02Å; L2839-I2861 HydrophobicContact CD2-CD1 3.78Å; L2839-I2861 HydrophobicContact CD2-CG1 3.34Å; L2839-I2861 HydrophobicContact CD2-CG2 4.08Å; C2842-I2861 HydrophobicContact CB-CD1 4.16Å; C2842-I2861 HydrophobicContact CB-CG1 4.3Å; C2842-I2861 HydrophobicContact CB-CG2 3.6Å; C2842-I2861 VanDerWaalsContact SG-CD1 3.51Å; C2842-I2861 WeakPolarHBondContact SG-CG1 3.21Å; I2843-I2861 HydrophobicContact CG1-CD1 4.21Å; C2857-I2861 HydrophobicContact CB-CD1 4.3Å; C2857-I2861 VanDerWaalsContact O-CB 3.26Å; C2857-I2861 WeakPolarHBondContact O-CB 3.34Å; C2857-I2861 WeakPolarHBondContact O-CD1 3.11Å; C2857-I2861 WeakPolarHBondContact O-CG1 3.31Å; C2857-I2861 VanDerWaalsContact O-CG2 3.3Å; C2857-I2861 WeakPolarHBondContact O-CG2 3.41Å; C2857-I2861 PolarHBondContact O-N 3.14Å; L2858-I2861 HydrophobicContact CD2-CD1 4.17Å; E2859-I2861 PolarHBondContact O-N 3.16Å; I2861-P2863 VanDerWaalsContact C-CD 3.47Å; I2861-P2863 VanDerWaalsContact C-N 3.34Å; I2861-P2863 VanDerWaalsContact O-N 3.13Å; I2861-W2864 WeakPolarHBondContact O-CB 3.33Å; I2861-W2864 PolarHBondContact O-N 3.03Å; I2861-L2865 HydrophobicContact CG2-CD1 4.21Å; I2861-L2865 HydrophobicContact CG2-CD2 3.91Å; I2861-L2865 HydrophobicContact CG2-CG 3.98Å; I2861-I2907 HydrophobicContact CD1-CD1 4.14Å; I2861-I2907 HydrophobicContact CD1-CG1 4.09Å |
| 2862 | T | 94.1 | Very high | 92.3 | Very high | 23.2 Ų | 23.2 | 33 Ų | 33 | 14% | 0.142 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -39.8 | -171.7 | -66.8 | 0 | 0 | 0 | 0 | 114.3 | L2858 E2859 W2864 K2906 K2910 | L2858-T2862 PolarHBondContact O-N 3.26Å; L2858-T2862 PolarHBondContact O-OG1 3.05Å; E2859-T2862 PolarHBondContact O-N 3.37Å; T2862-W2864 VanDerWaalsContact C-N 3.28Å; T2862-W2864 PolarHBondContact O-N 3.24Å; T2862-K2906 PolarHBondContact OG1-O 3.25Å; T2862-K2910 HydrophobicContact CG2-CB 4.12Å; T2862-K2910 HydrophobicContact CG2-CD 4.08Å; T2862-K2910 HydrophobicContact CG2-CG 3.84Å |
| 2863 | P | 94.7 | Very high | 91.4 | Very high | 28 Ų | 28 | 36.2 Ų | 36.2 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -24.1 | 176 | -24.3 | 35.3 | 0 | 0 | 0 | 115.4 | N2825 A2828 E2859 Y2860 I2861 P2866 | N2825-P2863 HydrophobicContact CB-CB 4.31Å; N2825-P2863 HydrophobicContact CB-CG 4.15Å; A2828-P2863 HydrophobicContact CB-CB 3.98Å; E2859-P2863 WeakPolarHBondContact O-CD 3.36Å; Y2860-P2863 WeakPolarHBondContact O-CD 3.34Å; I2861-P2863 VanDerWaalsContact C-CD 3.47Å; I2861-P2863 VanDerWaalsContact C-N 3.34Å; I2861-P2863 VanDerWaalsContact O-N 3.13Å; P2863-P2866 WeakPolarHBondContact O-CD 3.33Å |
| 2864 | W | 96.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -27.5 | -175.1 | -66.9 | 86.3 | 0 | 0 | 0 | 113.4 | L2767 S2824 L2827 A2828 L2834 T2835 F2838 L2839 I2861 T2862 P2866 N2867 | L2767-W2864 HydrophobicContact CD2-CH2 4.39Å; L2767-W2864 HydrophobicContact CD2-CZ2 4.14Å; S2824-W2864 PolarHBondContact O-NE1 3.12Å; S2824-W2864 PolarHBondContact OG-NE1 3.07Å; L2827-W2864 HydrophobicContact CB-CH2 4.05Å; L2827-W2864 HydrophobicContact CB-CZ2 3.72Å; A2828-W2864 HydrophobicContact CB-CD2 3.66Å; A2828-W2864 HydrophobicContact CB-CE3 4.04Å; A2828-W2864 HydrophobicContact CB-CG 3.94Å; A2828-W2864 HydrophobicContact CB-CZ2 4.22Å; A2828-W2864 HydrophobicContact CB-CZ3 4.47Å; L2834-W2864 HydrophobicContact CB-CH2 4.18Å; L2834-W2864 HydrophobicContact CB-CZ3 4.06Å; L2834-W2864 HydrophobicContact CD1-CH2 4.47Å; T2835-W2864 HydrophobicContact CG2-CB 4.43Å; T2835-W2864 HydrophobicContact CG2-CE3 4.36Å; F2838-W2864 HydrophobicContact CD1-CB 4.49Å; F2838-W2864 AromaticContact CD1-CD1 3.81Å; F2838-W2864 AromaticContact CD1-CD2 3.73Å; F2838-W2864 HydrophobicContact CD1-CD2 3.73Å; F2838-W2864 AromaticContact CD1-CE2 3.7Å; F2838-W2864 HydrophobicContact CD1-CE3 4.37Å; F2838-W2864 AromaticContact CD1-CG 3.79Å; F2838-W2864 HydrophobicContact CD1-CG 3.79Å; F2838-W2864 HydrophobicContact CD1-CZ2 4.31Å; F2838-W2864 AromaticContact CD1-NE1 3.75Å; F2838-W2864 AromaticContact CE1-CD1 3.42Å; F2838-W2864 VanDerWaalsContact CE1-CD1 3.43Å; F2838-W2864 HydrophobicContact CE1-CD2 4.08Å; F2838-W2864 AromaticContact CE1-CE2 3.73Å; F2838-W2864 AromaticContact CE1-CG 3.9Å; F2838-W2864 HydrophobicContact CE1-CG 3.9Å; F2838-W2864 HydrophobicContact CE1-CZ2 4.44Å; F2838-W2864 AromaticContact CE1-NE1 3.31Å; F2838-W2864 VanDerWaalsContact CE1-NE1 3.31Å; F2838-W2864 HydrophobicContact CG-CD2 4.45Å; F2838-W2864 HydrophobicContact CG-CZ2 4.46Å; F2838-W2864 AromaticContact CZ-NE1 3.92Å; L2839-W2864 HydrophobicContact CD1-CB 4.38Å; L2839-W2864 HydrophobicContact CD2-CB 3.91Å; L2839-W2864 HydrophobicContact CG-CB 4.24Å; I2861-W2864 WeakPolarHBondContact O-CB 3.33Å; I2861-W2864 PolarHBondContact O-N 3.03Å; T2862-W2864 VanDerWaalsContact C-N 3.28Å; T2862-W2864 PolarHBondContact O-N 3.24Å; W2864-P2866 VanDerWaalsContact C-CD 3.46Å; W2864-N2867 WeakPolarHBondContact O-CB 3.45Å; W2864-N2867 PolarHBondContact O-N 3.2Å; W2864-N2867 VanDerWaalsContact O-N 3.1Å |
| 2865 | L | 94.8 | Very high | 89 | Confident | 0.4 Ų | 0.4 | 40.6 Ų | 40.6 | 0% | 0.002 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -54.4 | -40 | -176.5 | -61 | 174.7 | 0 | 0 | 0 | 114.4 | L2839 I2861 N2867 L2868 L2889 I2907 K2910 L2911 | L2839-L2865 HydrophobicContact CD1-CD2 4.32Å; L2839-L2865 HydrophobicContact CD2-CD2 4.04Å; I2861-L2865 HydrophobicContact CG2-CD1 4.21Å; I2861-L2865 HydrophobicContact CG2-CD2 3.91Å; I2861-L2865 HydrophobicContact CG2-CG 3.98Å; L2865-N2867 VanDerWaalsContact C-N 3.28Å; L2865-N2867 PolarHBondContact O-N 2.95Å; L2865-L2868 WeakPolarHBondContact O-CB 3.32Å; L2865-L2868 WeakPolarHBondContact O-CG 3.34Å; L2865-L2868 PolarHBondContact O-N 3.34Å; L2865-L2889 HydrophobicContact CD2-CD1 4.15Å; L2865-I2907 HydrophobicContact CD1-CB 4.28Å; L2865-I2907 HydrophobicContact CD1-CG1 4.27Å; L2865-I2907 HydrophobicContact CD1-CG2 4.02Å; L2865-K2910 HydrophobicContact CD1-CB 4.5Å; L2865-L2911 HydrophobicContact CB-CD2 4.01Å; L2865-L2911 HydrophobicContact CB-CG 4.42Å; L2865-L2911 HydrophobicContact CD1-CG 4.46Å |
| 2866 | P | 93.2 | Very high | 88.4 | Confident | 36.6 Ų | 36.6 | 42.1 Ų | 42.1 | 24% | 0.238 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -63.6 | -26.4 | 176.9 | -23.7 | 36 | 0 | 0 | 0 | 114.7 | P2863 W2864 L2868 T2869 V2914 | P2863-P2866 WeakPolarHBondContact O-CD 3.33Å; W2864-P2866 VanDerWaalsContact C-CD 3.46Å; P2866-L2868 PolarHBondContact O-N 3.17Å; P2866-T2869 WeakPolarHBondContact O-CB 3.42Å; P2866-T2869 WeakPolarHBondContact O-CG2 3.35Å; P2866-T2869 PolarHBondContact O-N 3.33Å; P2866-T2869 PolarHBondContact O-OG1 3.08Å; P2866-V2914 HydrophobicContact CB-CG2 4.15Å; P2866-V2914 HydrophobicContact CG-CG2 4.36Å |
| 2867 | N | 93.5 | Very high | 87.8 | Confident | 14 Ų | 14 | 45.6 Ų | 45.6 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -68.6 | -18.5 | -179.3 | -79.2 | -29.5 | 0 | 0 | 0 | 113.4 | A2828 T2835 W2864 L2865 T2869 R2870 F2871 | A2828-N2867 PolarHBondContact O-ND2 3.08Å; T2835-N2867 HydrophobicContact CG2-CB 3.86Å; T2835-N2867 VanDerWaalsContact OG1-CB 3.32Å; T2835-N2867 WeakPolarHBondContact OG1-CB 3.38Å; T2835-N2867 PolarHBondContact OG1-ND2 3.19Å; W2864-N2867 WeakPolarHBondContact O-CB 3.45Å; W2864-N2867 PolarHBondContact O-N 3.2Å; W2864-N2867 VanDerWaalsContact O-N 3.1Å; L2865-N2867 VanDerWaalsContact C-N 3.28Å; L2865-N2867 PolarHBondContact O-N 2.95Å; N2867-T2869 PolarHBondContact O-N 3.37Å; N2867-R2870 WeakPolarHBondContact O-CB 3.47Å; N2867-R2870 WeakPolarHBondContact O-CG 3.31Å; N2867-R2870 PolarHBondContact O-N 3.05Å; N2867-R2870 PolarHBondContact OD1-NE 3.12Å; N2867-R2870 PolarHBondContact OD1-NH2 2.99Å; N2867-F2871 WeakPolarHBondContact O-CD2 3.33Å |
| 2868 | L | 92.4 | Very high | 87.2 | Confident | 0.4 Ų | 0.4 | 48.9 Ų | 48.9 | 0% | 0.002 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -53.4 | -27.3 | 173.7 | -66.7 | 174.1 | 0 | 0 | 0 | 112.3 | T2835 L2836 L2839 L2865 P2866 R2870 F2871 C2872 V2882 I2885 L2917 | T2835-L2868 HydrophobicContact CG2-CD2 4.27Å; L2836-L2868 HydrophobicContact CD2-CD2 3.94Å; L2839-L2868 HydrophobicContact CD1-CD1 4.17Å; L2839-L2868 HydrophobicContact CD1-CD2 3.75Å; L2839-L2868 HydrophobicContact CD1-CG 4Å; L2865-L2868 WeakPolarHBondContact O-CB 3.32Å; L2865-L2868 WeakPolarHBondContact O-CG 3.34Å; L2865-L2868 PolarHBondContact O-N 3.34Å; P2866-L2868 PolarHBondContact O-N 3.17Å; L2868-R2870 VanDerWaalsContact C-N 3.26Å; L2868-R2870 PolarHBondContact O-N 3.18Å; L2868-F2871 PolarHBondContact O-N 3.17Å; L2868-C2872 PolarHBondContact O-N 3.04Å; L2868-C2872 VanDerWaalsContact O-N 3.15Å; L2868-C2872 PolarHBondContact O-SG 3.15Å; L2868-C2872 VanDerWaalsContact O-SG 3.37Å; L2868-V2882 HydrophobicContact CB-CG1 4.21Å; L2868-V2882 HydrophobicContact CD2-CG1 4.29Å; L2868-V2882 HydrophobicContact CD2-CG2 4.15Å; L2868-I2885 HydrophobicContact CD1-CG2 4.48Å; L2868-I2885 HydrophobicContact CD2-CD1 4.25Å; L2868-I2885 HydrophobicContact CD2-CG2 4.47Å; L2868-L2917 HydrophobicContact CB-CD1 3.92Å; L2868-L2917 HydrophobicContact CB-CD2 4.12Å; L2868-L2917 HydrophobicContact CD1-CD2 4.02Å |
| 2869 | T | 90.7 | Very high | 86.8 | Confident | 33 Ų | 33 | 54.3 Ų | 54.3 | 20% | 0.202 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.1 | -33.3 | 173.5 | 53.4 | 0 | 0 | 0 | 0 | 114.4 | P2866 N2867 C2872 V2914 Q2916 L2917 | P2866-T2869 WeakPolarHBondContact O-CB 3.42Å; P2866-T2869 WeakPolarHBondContact O-CG2 3.35Å; P2866-T2869 PolarHBondContact O-N 3.33Å; P2866-T2869 PolarHBondContact O-OG1 3.08Å; N2867-T2869 PolarHBondContact O-N 3.37Å; T2869-C2872 PolarHBondContact O-N 3.27Å; T2869-V2914 HydrophobicContact CG2-CG1 3.23Å; T2869-Q2916 HydrophobicContact CG2-CB 4.27Å; T2869-L2917 HydrophobicContact CG2-CB 4.47Å; T2869-L2917 HydrophobicContact CG2-CD1 3.97Å; T2869-L2917 HydrophobicContact CG2-CD2 4.3Å; T2869-L2917 HydrophobicContact CG2-CG 3.76Å |
| 2870 | R | 87.5 | Confident | 86.6 | Confident | 127.4 Ų | 127.4 | 56.6 Ų | 56.6 | 48% | 0.481 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.5 | -45.3 | -179 | -55.3 | -172.7 | -164.5 | -145 | 11.4 | 110.3 | P2832 N2867 L2868 C2872 R2873 S2874 | P2832-R2870 VanDerWaalsContact CG-NH1 3.3Å; N2867-R2870 WeakPolarHBondContact O-CB 3.47Å; N2867-R2870 WeakPolarHBondContact O-CG 3.31Å; N2867-R2870 PolarHBondContact O-N 3.05Å; N2867-R2870 PolarHBondContact OD1-NE 3.12Å; N2867-R2870 PolarHBondContact OD1-NH2 2.99Å; L2868-R2870 VanDerWaalsContact C-N 3.26Å; L2868-R2870 PolarHBondContact O-N 3.18Å; R2870-C2872 VanDerWaalsContact C-N 3.31Å; R2870-C2872 PolarHBondContact O-N 3.26Å; R2870-R2873 PolarHBondContact O-N 3.08Å; R2870-R2873 VanDerWaalsContact O-N 3.15Å; R2870-S2874 PolarHBondContact O-OG 3.12Å |
| 2871 | F | 87 | Confident | 86.3 | Confident | 27.8 Ų | 27.8 | 62.3 Ų | 62.3 | 12% | 0.122 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72 | -22.2 | -177.6 | -58.9 | -82.4 | 0 | 0 | 0 | 113.8 | P2832 T2835 L2836 N2867 L2868 R2873 S2874 K2878 V2882 | P2832-F2871 VanDerWaalsContact O-CZ 3.28Å; P2832-F2871 WeakPolarHBondContact O-CZ 3.31Å; T2835-F2871 HydrophobicContact CG2-CE2 4.23Å; L2836-F2871 HydrophobicContact CD1-CB 4.38Å; L2836-F2871 HydrophobicContact CD1-CD1 3.53Å; L2836-F2871 HydrophobicContact CD1-CE1 3.91Å; L2836-F2871 HydrophobicContact CD1-CG 3.93Å; L2836-F2871 HydrophobicContact CD2-CB 4.22Å; L2836-F2871 HydrophobicContact CD2-CD1 4.32Å; L2836-F2871 HydrophobicContact CD2-CD2 4.02Å; L2836-F2871 HydrophobicContact CD2-CE2 4.47Å; L2836-F2871 HydrophobicContact CD2-CG 3.91Å; L2836-F2871 HydrophobicContact CG-CD1 3.83Å; L2836-F2871 HydrophobicContact CG-CD2 4.15Å; L2836-F2871 HydrophobicContact CG-CE1 3.94Å; L2836-F2871 HydrophobicContact CG-CE2 4.29Å; L2836-F2871 HydrophobicContact CG-CG 3.92Å; L2836-F2871 HydrophobicContact CG-CZ 4.17Å; N2867-F2871 WeakPolarHBondContact O-CD2 3.33Å; L2868-F2871 PolarHBondContact O-N 3.17Å; F2871-R2873 VanDerWaalsContact C-N 3.3Å; F2871-R2873 PolarHBondContact O-N 3.05Å; F2871-S2874 PolarHBondContact O-N 3.23Å; F2871-K2878 HydrophobicContact CB-CB 4.45Å; F2871-K2878 HydrophobicContact CD1-CD 4.47Å; F2871-V2882 HydrophobicContact CB-CG2 3.8Å |
| 2872 | C | 80.9 | Confident | 86.2 | Confident | 37.6 Ų | 37.6 | 62.1 Ų | 62.1 | 25% | 0.254 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -11.7 | 174.7 | -67.3 | 0 | 0 | 0 | 0 | 114.6 | L2868 T2869 R2870 L2917 | L2868-C2872 PolarHBondContact O-N 3.04Å; L2868-C2872 VanDerWaalsContact O-N 3.15Å; L2868-C2872 PolarHBondContact O-SG 3.15Å; L2868-C2872 VanDerWaalsContact O-SG 3.37Å; T2869-C2872 PolarHBondContact O-N 3.27Å; R2870-C2872 VanDerWaalsContact C-N 3.31Å; R2870-C2872 PolarHBondContact O-N 3.26Å; C2872-L2917 VanDerWaalsContact SG-CD2 3.58Å |
| 2873 | R | 72 | Confident | 86.1 | Confident | 205 Ų | 205 | 62.5 Ų | 62.5 | 77% | 0.774 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | -16 | -176.5 | -69.4 | -176.4 | 175.8 | 179.4 | -1.2 | 114.8 | R2870 F2871 | R2870-R2873 PolarHBondContact O-N 3.08Å; R2870-R2873 VanDerWaalsContact O-N 3.15Å; F2871-R2873 VanDerWaalsContact C-N 3.3Å; F2871-R2873 PolarHBondContact O-N 3.05Å |
| 2874 | S | 63.4 | Low | 86 | Confident | 77.2 Ų | 77.2 | 64.2 Ų | 64.2 | 54% | 0.54 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -69 | -168.8 | -53.8 | 0 | 0 | 0 | 0 | 113 | R2870 F2871 | R2870-S2874 PolarHBondContact O-OG 3.12Å; F2871-S2874 PolarHBondContact O-N 3.23Å |
| 2875 | D | 69.8 | Low | 85.9 | Confident | 69.8 Ų | 69.8 | 64.2 Ų | 64.2 | 37% | 0.373 | 32% | 0.316 | S | S | . | . | trans | -129.7 | 141.6 | -172.8 | -52.9 | -84.7 | 0 | 0 | 0 | 111.2 | S2877 K2878 R2879 | D2875-S2877 PolarHBondContact O-N 3.23Å; D2875-K2878 HydrophobicContact CB-CB 4.2Å; D2875-K2878 HydrophobicContact CB-CD 4.17Å; D2875-K2878 HydrophobicContact CB-CG 4.1Å; D2875-K2878 WeakPolarHBondContact O-CB 3.48Å; D2875-K2878 PolarHBondContact O-N 3.19Å; D2875-K2878 VanDerWaalsContact O-N 3.13Å; D2875-K2878 IonicContact OD1-NZ 3.47Å; D2875-K2878 VanDerWaalsContact OD2-CD 3.22Å; D2875-K2878 WeakPolarHBondContact OD2-CD 3.33Å; D2875-K2878 VanDerWaalsContact OD2-CE 3.26Å; D2875-K2878 WeakPolarHBondContact OD2-CE 3.36Å; D2875-K2878 IonicContact OD2-NZ 3.11Å; D2875-K2878 PolarHBondContact OD2-NZ 3.08Å; D2875-R2879 WeakPolarHBondContact O-CB 3.34Å; D2875-R2879 PolarHBondContact O-N 3.09Å | ||
| 2876 | D | 79.5 | Confident | 85.9 | Confident | 121 Ų | 121 | 64.2 Ų | 64.2 | 65% | 0.647 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.3 | -27.9 | 175.3 | -80.1 | -46.2 | 0 | 0 | 0 | 112.5 | R2879 Q2880 | D2876-R2879 PolarHBondContact O-N 3.41Å; D2876-R2879 WeakPolarHBondContact OD1-CD 3.35Å; D2876-R2879 IonicContact OD1-CZ 3.63Å; D2876-R2879 IonicContact OD1-NH1 2.99Å; D2876-R2879 PolarHBondContact OD1-NH1 3.16Å; D2876-R2879 VanDerWaalsContact OD1-NH1 3.08Å; D2876-Q2880 WeakPolarHBondContact O-CB 3.32Å; D2876-Q2880 PolarHBondContact O-N 3.14Å |
| 2877 | S | 82.1 | Confident | 86 | Confident | 80.6 Ų | 80.6 | 64.9 Ų | 64.9 | 56% | 0.564 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.3 | -43.7 | 172.8 | 62.8 | 0 | 0 | 0 | 0 | 112.4 | D2875 R2879 Q2880 K2881 | D2875-S2877 PolarHBondContact O-N 3.23Å; S2877-R2879 VanDerWaalsContact C-N 3.35Å; S2877-Q2880 WeakPolarHBondContact O-CB 3.49Å; S2877-Q2880 PolarHBondContact O-N 3.05Å; S2877-K2881 PolarHBondContact O-N 3.31Å; S2877-K2881 VanDerWaalsContact O-N 3.13Å |
| 2878 | K | 82.2 | Confident | 86 | Confident | 71.8 Ų | 71.8 | 67.1 Ų | 67.1 | 31% | 0.312 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.7 | -39.3 | 176.2 | -66.9 | 174.6 | -170.5 | 146 | 0 | 110.6 | E2702 F2871 D2875 Q2880 K2881 V2882 | E2702-K2878 IonicContact OE1-NZ 3.27Å; E2702-K2878 PolarHBondContact OE1-NZ 2.8Å; F2871-K2878 HydrophobicContact CB-CB 4.45Å; F2871-K2878 HydrophobicContact CD1-CD 4.47Å; D2875-K2878 HydrophobicContact CB-CB 4.2Å; D2875-K2878 HydrophobicContact CB-CD 4.17Å; D2875-K2878 HydrophobicContact CB-CG 4.1Å; D2875-K2878 WeakPolarHBondContact O-CB 3.48Å; D2875-K2878 PolarHBondContact O-N 3.19Å; D2875-K2878 VanDerWaalsContact O-N 3.13Å; D2875-K2878 IonicContact OD1-NZ 3.47Å; D2875-K2878 VanDerWaalsContact OD2-CD 3.22Å; D2875-K2878 WeakPolarHBondContact OD2-CD 3.33Å; D2875-K2878 VanDerWaalsContact OD2-CE 3.26Å; D2875-K2878 WeakPolarHBondContact OD2-CE 3.36Å; D2875-K2878 IonicContact OD2-NZ 3.11Å; D2875-K2878 PolarHBondContact OD2-NZ 3.08Å; K2878-Q2880 VanDerWaalsContact C-N 3.32Å; K2878-Q2880 PolarHBondContact O-N 3.16Å; K2878-K2881 WeakPolarHBondContact O-CB 3.18Å; K2878-K2881 PolarHBondContact O-N 3.31Å; K2878-K2881 VanDerWaalsContact O-N 3.17Å; K2878-V2882 WeakPolarHBondContact O-CG2 3.38Å; K2878-V2882 PolarHBondContact O-N 3.07Å |
| 2879 | R | 85.9 | Confident | 86.1 | Confident | 116 Ų | 116 | 67.1 Ų | 67.1 | 44% | 0.438 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 172.1 | -175 | -179.2 | 174.2 | -164.1 | 0.8 | 112.5 | D2875 D2876 S2877 V2882 N2883 L2920 | D2875-R2879 WeakPolarHBondContact O-CB 3.34Å; D2875-R2879 PolarHBondContact O-N 3.09Å; D2876-R2879 PolarHBondContact O-N 3.41Å; D2876-R2879 WeakPolarHBondContact OD1-CD 3.35Å; D2876-R2879 IonicContact OD1-CZ 3.63Å; D2876-R2879 IonicContact OD1-NH1 2.99Å; D2876-R2879 PolarHBondContact OD1-NH1 3.16Å; D2876-R2879 VanDerWaalsContact OD1-NH1 3.08Å; S2877-R2879 VanDerWaalsContact C-N 3.35Å; R2879-V2882 WeakPolarHBondContact O-CB 3.32Å; R2879-V2882 PolarHBondContact O-N 2.85Å; R2879-V2882 VanDerWaalsContact O-N 3.15Å; R2879-N2883 PolarHBondContact O-N 3.14Å; R2879-N2883 VanDerWaalsContact O-N 3.09Å; R2879-L2920 HydrophobicContact CG-CD1 4.23Å |
| 2880 | Q | 88.4 | Confident | 86.3 | Confident | 113 Ų | 113 | 65.5 Ų | 65.5 | 53% | 0.528 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.6 | -35.8 | 175.2 | -172.2 | 63.3 | -1.9 | 0 | 0 | 112.1 | D2876 S2877 K2878 V2882 N2883 V2884 | D2876-Q2880 WeakPolarHBondContact O-CB 3.32Å; D2876-Q2880 PolarHBondContact O-N 3.14Å; S2877-Q2880 WeakPolarHBondContact O-CB 3.49Å; S2877-Q2880 PolarHBondContact O-N 3.05Å; K2878-Q2880 VanDerWaalsContact C-N 3.32Å; K2878-Q2880 PolarHBondContact O-N 3.16Å; Q2880-V2882 VanDerWaalsContact C-N 3.31Å; Q2880-V2882 PolarHBondContact O-N 3.3Å; Q2880-N2883 WeakPolarHBondContact O-CB 3.39Å; Q2880-N2883 PolarHBondContact O-N 3.13Å; Q2880-N2883 PolarHBondContact OE1-ND2 3.23Å; Q2880-V2884 WeakPolarHBondContact O-CG2 3.36Å; Q2880-V2884 PolarHBondContact O-N 3.23Å; Q2880-V2884 VanDerWaalsContact O-N 3.08Å |
| 2881 | K | 88.7 | Confident | 86.6 | Confident | 120.8 Ų | 120.8 | 61.6 Ų | 61.6 | 53% | 0.525 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.7 | -38.6 | 168.3 | -70.4 | -168.7 | 175.8 | -166 | 0 | 112.3 | L2836 S2877 K2878 N2883 V2884 I2885 | L2836-K2881 HydrophobicContact CD1-CB 4.34Å; L2836-K2881 HydrophobicContact CD1-CD 4.37Å; S2877-K2881 PolarHBondContact O-N 3.31Å; S2877-K2881 VanDerWaalsContact O-N 3.13Å; K2878-K2881 WeakPolarHBondContact O-CB 3.18Å; K2878-K2881 PolarHBondContact O-N 3.31Å; K2878-K2881 VanDerWaalsContact O-N 3.17Å; K2881-N2883 VanDerWaalsContact C-N 3.32Å; K2881-N2883 PolarHBondContact O-N 3.26Å; K2881-V2884 WeakPolarHBondContact O-CB 3.41Å; K2881-V2884 PolarHBondContact O-N 3.16Å; K2881-V2884 VanDerWaalsContact O-N 3.16Å; K2881-I2885 WeakPolarHBondContact O-CG1 3.41Å; K2881-I2885 PolarHBondContact O-N 3.27Å |
| 2882 | V | 93 | Very high | 86.9 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 174.3 | 178 | 0 | 0 | 0 | 0 | 111.9 | L2836 L2868 F2871 K2878 R2879 Q2880 V2884 I2885 I2886 L2917 L2920 | L2836-V2882 HydrophobicContact CD2-CG2 3.87Å; L2868-V2882 HydrophobicContact CB-CG1 4.21Å; L2868-V2882 HydrophobicContact CD2-CG1 4.29Å; L2868-V2882 HydrophobicContact CD2-CG2 4.15Å; F2871-V2882 HydrophobicContact CB-CG2 3.8Å; K2878-V2882 WeakPolarHBondContact O-CG2 3.38Å; K2878-V2882 PolarHBondContact O-N 3.07Å; R2879-V2882 WeakPolarHBondContact O-CB 3.32Å; R2879-V2882 PolarHBondContact O-N 2.85Å; R2879-V2882 VanDerWaalsContact O-N 3.15Å; Q2880-V2882 VanDerWaalsContact C-N 3.31Å; Q2880-V2882 PolarHBondContact O-N 3.3Å; V2882-V2884 VanDerWaalsContact C-N 3.34Å; V2882-V2884 PolarHBondContact O-N 3.16Å; V2882-I2885 PolarHBondContact O-N 3.3Å; V2882-I2886 HydrophobicContact CG1-CD1 3.91Å; V2882-I2886 HydrophobicContact CG1-CG1 4.44Å; V2882-I2886 WeakPolarHBondContact O-CG1 3.32Å; V2882-I2886 PolarHBondContact O-N 2.99Å; V2882-L2917 HydrophobicContact CG1-CD1 4.15Å; V2882-L2920 HydrophobicContact CB-CD2 4.43Å; V2882-L2920 HydrophobicContact CG1-CD2 4.18Å |
| 2883 | N | 91.8 | Very high | 87.6 | Confident | 32.4 Ų | 32.4 | 59.1 Ų | 59.1 | 17% | 0.173 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.5 | -46.7 | 171.2 | -77 | -34.2 | 0 | 0 | 0 | 111.4 | R2879 Q2880 K2881 I2885 I2886 D2887 L2920 N2924 | R2879-N2883 PolarHBondContact O-N 3.14Å; R2879-N2883 VanDerWaalsContact O-N 3.09Å; Q2880-N2883 WeakPolarHBondContact O-CB 3.39Å; Q2880-N2883 PolarHBondContact O-N 3.13Å; Q2880-N2883 PolarHBondContact OE1-ND2 3.23Å; K2881-N2883 VanDerWaalsContact C-N 3.32Å; K2881-N2883 PolarHBondContact O-N 3.26Å; N2883-I2885 VanDerWaalsContact C-N 3.33Å; N2883-I2885 PolarHBondContact O-N 3.2Å; N2883-I2886 PolarHBondContact O-N 3.34Å; N2883-I2886 VanDerWaalsContact O-N 3.16Å; N2883-D2887 VanDerWaalsContact O-CB 3.3Å; N2883-D2887 WeakPolarHBondContact O-CB 3.36Å; N2883-D2887 PolarHBondContact O-N 3.17Å; N2883-L2920 VanDerWaalsContact OD1-CD1 3.24Å; N2883-L2920 WeakPolarHBondContact OD1-CD1 3.4Å; N2883-L2920 VanDerWaalsContact OD1-CD2 3.29Å; N2883-L2920 WeakPolarHBondContact OD1-CD2 3.42Å; N2883-L2920 VanDerWaalsContact OD1-CG 3.29Å; N2883-L2920 WeakPolarHBondContact OD1-CG 3.31Å; N2883-N2924 PolarHBondContact OD1-ND2 3.11Å |
| 2884 | V | 93.1 | Very high | 88.5 | Confident | 62.6 Ų | 62.6 | 51.1 Ų | 51.1 | 38% | 0.379 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 178.4 | 173.3 | 0 | 0 | 0 | 0 | 112 | Q2880 K2881 V2882 D2887 K2888 | Q2880-V2884 WeakPolarHBondContact O-CG2 3.36Å; Q2880-V2884 PolarHBondContact O-N 3.23Å; Q2880-V2884 VanDerWaalsContact O-N 3.08Å; K2881-V2884 WeakPolarHBondContact O-CB 3.41Å; K2881-V2884 PolarHBondContact O-N 3.16Å; K2881-V2884 VanDerWaalsContact O-N 3.16Å; V2882-V2884 VanDerWaalsContact C-N 3.34Å; V2882-V2884 PolarHBondContact O-N 3.16Å; V2884-D2887 WeakPolarHBondContact O-CB 3.41Å; V2884-D2887 PolarHBondContact O-N 3.06Å; V2884-K2888 HydrophobicContact CG1-CD 4.43Å; V2884-K2888 WeakPolarHBondContact O-CB 3.38Å; V2884-K2888 WeakPolarHBondContact O-CG 3.31Å; V2884-K2888 PolarHBondContact O-N 3.26Å |
| 2885 | I | 94.4 | Very high | 89.9 | Confident | 1.6 Ų | 1.6 | 53.7 Ų | 53.7 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | 175.2 | -68.4 | 168.6 | 0 | 0 | 0 | 110.9 | L2836 L2839 I2843 L2868 K2881 V2882 N2883 D2887 K2888 L2889 | L2836-I2885 HydrophobicContact CB-CD1 4.25Å; L2836-I2885 HydrophobicContact CD2-CD1 3.66Å; L2836-I2885 HydrophobicContact CG-CD1 4.47Å; L2839-I2885 HydrophobicContact CB-CD1 4.37Å; L2839-I2885 HydrophobicContact CB-CG2 4.24Å; L2839-I2885 HydrophobicContact CD1-CG2 4.38Å; I2843-I2885 HydrophobicContact CD1-CG2 4.02Å; L2868-I2885 HydrophobicContact CD1-CG2 4.48Å; L2868-I2885 HydrophobicContact CD2-CD1 4.25Å; L2868-I2885 HydrophobicContact CD2-CG2 4.47Å; K2881-I2885 WeakPolarHBondContact O-CG1 3.41Å; K2881-I2885 PolarHBondContact O-N 3.27Å; V2882-I2885 PolarHBondContact O-N 3.3Å; N2883-I2885 VanDerWaalsContact C-N 3.33Å; N2883-I2885 PolarHBondContact O-N 3.2Å; I2885-D2887 VanDerWaalsContact C-N 3.33Å; I2885-D2887 PolarHBondContact O-N 3.36Å; I2885-K2888 PolarHBondContact O-N 3.17Å; I2885-L2889 HydrophobicContact CG2-CD1 4.38Å; I2885-L2889 WeakPolarHBondContact O-CG 3.23Å; I2885-L2889 PolarHBondContact O-N 3.21Å |
| 2886 | I | 94.6 | Very high | 90.9 | Very high | 0.4 Ų | 0.4 | 51.7 Ų | 51.7 | 0% | 0.002 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 177.3 | -72.4 | 165.5 | 0 | 0 | 0 | 111.1 | V2882 N2883 L2889 I2890 W2908 L2917 L2920 V2921 N2924 | V2882-I2886 HydrophobicContact CG1-CD1 3.91Å; V2882-I2886 HydrophobicContact CG1-CG1 4.44Å; V2882-I2886 WeakPolarHBondContact O-CG1 3.32Å; V2882-I2886 PolarHBondContact O-N 2.99Å; N2883-I2886 PolarHBondContact O-N 3.34Å; N2883-I2886 VanDerWaalsContact O-N 3.16Å; I2886-L2889 WeakPolarHBondContact O-CB 3.37Å; I2886-L2889 PolarHBondContact O-N 3.2Å; I2886-I2890 HydrophobicContact CG2-CD1 4.03Å; I2886-I2890 WeakPolarHBondContact O-CB 3.41Å; I2886-I2890 VanDerWaalsContact O-CG1 3.28Å; I2886-I2890 WeakPolarHBondContact O-CG1 3.35Å; I2886-I2890 PolarHBondContact O-N 3.06Å; I2886-W2908 HydrophobicContact CG2-CH2 4.45Å; I2886-L2917 HydrophobicContact CD1-CD2 4.07Å; I2886-L2917 HydrophobicContact CD1-CG 4.3Å; I2886-L2920 HydrophobicContact CD1-CB 4.38Å; I2886-L2920 HydrophobicContact CD1-CD2 3.49Å; I2886-L2920 HydrophobicContact CD1-CG 4.04Å; I2886-V2921 HydrophobicContact CD1-CG2 3.96Å; I2886-V2921 HydrophobicContact CG1-CG2 4.48Å; I2886-N2924 HydrophobicContact CG2-CB 3.97Å |
| 2887 | D | 94.1 | Very high | 91.3 | Very high | 51 Ų | 51 | 50.3 Ų | 50.3 | 27% | 0.273 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68.7 | -37.4 | 176.8 | -162.8 | 58 | 0 | 0 | 0 | 112.5 | N2883 V2884 I2885 L2889 I2890 T2891 R2928 | N2883-D2887 VanDerWaalsContact O-CB 3.3Å; N2883-D2887 WeakPolarHBondContact O-CB 3.36Å; N2883-D2887 PolarHBondContact O-N 3.17Å; V2884-D2887 WeakPolarHBondContact O-CB 3.41Å; V2884-D2887 PolarHBondContact O-N 3.06Å; I2885-D2887 VanDerWaalsContact C-N 3.33Å; I2885-D2887 PolarHBondContact O-N 3.36Å; D2887-L2889 VanDerWaalsContact C-N 3.3Å; D2887-L2889 PolarHBondContact O-N 3.14Å; D2887-I2890 WeakPolarHBondContact O-CB 3.34Å; D2887-I2890 PolarHBondContact O-N 3.08Å; D2887-I2890 VanDerWaalsContact O-N 3.14Å; D2887-T2891 WeakPolarHBondContact O-CB 3.41Å; D2887-T2891 PolarHBondContact O-N 3.28Å; D2887-T2891 PolarHBondContact O-OG1 3.18Å; D2887-R2928 IonicContact OD1-CZ 3.12Å; D2887-R2928 IonicContact OD1-NE 2.73Å; D2887-R2928 PolarHBondContact OD1-NE 3.12Å; D2887-R2928 IonicContact OD1-NH2 2.95Å; D2887-R2928 PolarHBondContact OD1-NH2 3.13Å; D2887-R2928 IonicContact OD2-CZ 2.61Å; D2887-R2928 IonicContact OD2-NH2 3.18Å; D2887-R2928 PolarHBondContact OD2-NH2 3.21Å |
| 2888 | K | 93.7 | Very high | 91.5 | Very high | 59.2 Ų | 59.2 | 54 Ų | 54 | 26% | 0.257 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 169.3 | -75.2 | -179 | 170.1 | -175.8 | 0 | 112.1 | E2840 I2843 V2884 I2885 I2890 T2891 L2892 | E2840-K2888 IonicContact OE1-NZ 3.45Å; E2840-K2888 PolarHBondContact OE1-NZ 3.2Å; I2843-K2888 HydrophobicContact CD1-CB 4.32Å; I2843-K2888 HydrophobicContact CG2-CB 3.95Å; V2884-K2888 HydrophobicContact CG1-CD 4.43Å; V2884-K2888 WeakPolarHBondContact O-CB 3.38Å; V2884-K2888 WeakPolarHBondContact O-CG 3.31Å; V2884-K2888 PolarHBondContact O-N 3.26Å; I2885-K2888 PolarHBondContact O-N 3.17Å; K2888-I2890 VanDerWaalsContact C-N 3.34Å; K2888-T2891 PolarHBondContact O-N 3.18Å; K2888-L2892 WeakPolarHBondContact O-CB 3.37Å; K2888-L2892 PolarHBondContact O-N 3.08Å |
| 2889 | L | 95.5 | Very high | 91.9 | Very high | 0.2 Ų | 0.2 | 50.8 Ų | 50.8 | 0% | 0.001 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.8 | -37.2 | 173.8 | -70.6 | 173.4 | 0 | 0 | 0 | 112.5 | I2843 L2865 I2885 I2886 D2887 T2893 I2907 W2908 L2911 | I2843-L2889 HydrophobicContact CD1-CD2 3.57Å; I2843-L2889 HydrophobicContact CD1-CG 3.72Å; I2843-L2889 HydrophobicContact CG1-CD2 3.81Å; I2843-L2889 HydrophobicContact CG1-CG 4.45Å; L2865-L2889 HydrophobicContact CD2-CD1 4.15Å; I2885-L2889 HydrophobicContact CG2-CD1 4.38Å; I2885-L2889 WeakPolarHBondContact O-CG 3.23Å; I2885-L2889 PolarHBondContact O-N 3.21Å; I2886-L2889 WeakPolarHBondContact O-CB 3.37Å; I2886-L2889 PolarHBondContact O-N 3.2Å; D2887-L2889 VanDerWaalsContact C-N 3.3Å; D2887-L2889 PolarHBondContact O-N 3.14Å; L2889-T2893 WeakPolarHBondContact O-CB 3.38Å; L2889-T2893 PolarHBondContact O-N 3.11Å; L2889-T2893 PolarHBondContact O-OG1 3.33Å; L2889-I2907 HydrophobicContact CD1-CG2 4.06Å; L2889-I2907 HydrophobicContact CD2-CD1 3.96Å; L2889-I2907 HydrophobicContact CD2-CG1 4.48Å; L2889-I2907 HydrophobicContact CD2-CG2 4.13Å; L2889-I2907 HydrophobicContact CG-CG2 4.5Å; L2889-W2908 HydrophobicContact CB-CH2 3.88Å; L2889-W2908 HydrophobicContact CB-CZ2 3.87Å; L2889-L2911 HydrophobicContact CD1-CD1 4.45Å |
| 2890 | I | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.3 | -47.4 | 173.1 | -75.1 | 166.1 | 0 | 0 | 0 | 110.3 | I2886 D2887 K2888 L2892 T2893 I2894 W2908 N2924 F2925 R2928 M2942 | I2886-I2890 HydrophobicContact CG2-CD1 4.03Å; I2886-I2890 WeakPolarHBondContact O-CB 3.41Å; I2886-I2890 VanDerWaalsContact O-CG1 3.28Å; I2886-I2890 WeakPolarHBondContact O-CG1 3.35Å; I2886-I2890 PolarHBondContact O-N 3.06Å; D2887-I2890 WeakPolarHBondContact O-CB 3.34Å; D2887-I2890 PolarHBondContact O-N 3.08Å; D2887-I2890 VanDerWaalsContact O-N 3.14Å; K2888-I2890 VanDerWaalsContact C-N 3.34Å; I2890-L2892 PolarHBondContact O-N 3.4Å; I2890-T2893 WeakPolarHBondContact O-CB 3.37Å; I2890-T2893 PolarHBondContact O-N 3.16Å; I2890-T2893 VanDerWaalsContact O-N 3.14Å; I2890-I2894 HydrophobicContact CG2-CD1 3.85Å; I2890-I2894 WeakPolarHBondContact O-CD1 3.28Å; I2890-I2894 WeakPolarHBondContact O-CG1 3.44Å; I2890-I2894 PolarHBondContact O-N 3.05Å; I2890-I2894 VanDerWaalsContact O-N 3.11Å; I2890-W2908 HydrophobicContact CG1-CH2 3.99Å; I2890-W2908 HydrophobicContact CG1-CZ2 4.11Å; I2890-N2924 HydrophobicContact CD1-CB 3.94Å; I2890-F2925 HydrophobicContact CD1-CD1 3.69Å; I2890-F2925 HydrophobicContact CD1-CE1 3.99Å; I2890-F2925 HydrophobicContact CG1-CD1 3.95Å; I2890-F2925 HydrophobicContact CG1-CE1 3.76Å; I2890-R2928 HydrophobicContact CG2-CB 4.37Å; I2890-R2928 HydrophobicContact CG2-CG 3.88Å; I2890-M2942 HydrophobicContact CB-CE 4.47Å; I2890-M2942 HydrophobicContact CB-SD 4.3Å; I2890-M2942 HydrophobicContact CD1-SD 4.37Å; I2890-M2942 HydrophobicContact CG1-CE 4.44Å; I2890-M2942 HydrophobicContact CG1-SD 3.92Å; I2890-M2942 HydrophobicContact CG2-CE 3.96Å; I2890-M2942 HydrophobicContact CG2-SD 3.62Å; I2890-M2942 VanDerWaalsContact CG2-SD 3.53Å |
| 2891 | T | 94 | Very high | 92.4 | Very high | 45.8 Ų | 45.8 | 44.7 Ų | 44.7 | 28% | 0.281 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.1 | -48.8 | 177.7 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | D2887 K2888 T2893 I2894 E2895 | D2887-T2891 WeakPolarHBondContact O-CB 3.41Å; D2887-T2891 PolarHBondContact O-N 3.28Å; D2887-T2891 PolarHBondContact O-OG1 3.18Å; K2888-T2891 PolarHBondContact O-N 3.18Å; T2891-T2893 VanDerWaalsContact C-N 3.27Å; T2891-T2893 PolarHBondContact O-N 3.02Å; T2891-I2894 WeakPolarHBondContact O-CB 3.27Å; T2891-I2894 PolarHBondContact O-N 3.24Å; T2891-E2895 HydrophobicContact CG2-CG 4.35Å; T2891-E2895 WeakPolarHBondContact CG2-OE1 3.36Å; T2891-E2895 WeakPolarHBondContact O-CG 3.39Å; T2891-E2895 PolarHBondContact O-N 2.95Å |
| 2892 | L | 93.4 | Very high | 92.7 | Very high | 10.8 Ų | 10.8 | 40.8 Ų | 40.8 | 6% | 0.057 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.4 | -39.1 | 173.5 | 179.3 | 155.1 | 0 | 0 | 0 | 112.2 | I2843 F2846 K2888 I2890 I2894 E2895 E2896 I2903 I2907 | I2843-L2892 HydrophobicContact CG2-CB 4.45Å; I2843-L2892 HydrophobicContact CG2-CD1 3.96Å; F2846-L2892 HydrophobicContact CB-CD1 3.95Å; F2846-L2892 HydrophobicContact CD1-CD1 3.6Å; F2846-L2892 HydrophobicContact CD1-CG 4.09Å; F2846-L2892 HydrophobicContact CD2-CD1 4.27Å; F2846-L2892 HydrophobicContact CE1-CD1 4.15Å; F2846-L2892 HydrophobicContact CE1-CD2 4.39Å; F2846-L2892 HydrophobicContact CE1-CG 4.29Å; F2846-L2892 HydrophobicContact CG-CD1 3.67Å; F2846-L2892 HydrophobicContact CZ-CD2 4.48Å; K2888-L2892 WeakPolarHBondContact O-CB 3.37Å; K2888-L2892 PolarHBondContact O-N 3.08Å; I2890-L2892 PolarHBondContact O-N 3.4Å; L2892-I2894 VanDerWaalsContact C-N 3.28Å; L2892-I2894 PolarHBondContact O-N 3.16Å; L2892-E2895 PolarHBondContact O-N 2.94Å; L2892-E2896 HydrophobicContact CG-CG 4.28Å; L2892-E2896 VanDerWaalsContact O-CB 3.26Å; L2892-E2896 WeakPolarHBondContact O-CB 3.34Å; L2892-E2896 VanDerWaalsContact O-CG 3.31Å; L2892-E2896 WeakPolarHBondContact O-CG 3.35Å; L2892-E2896 PolarHBondContact O-N 2.97Å; L2892-E2896 VanDerWaalsContact O-N 3.11Å; L2892-I2903 HydrophobicContact CD2-CD1 3.64Å; L2892-I2903 HydrophobicContact CD2-CG1 3.97Å; L2892-I2903 HydrophobicContact CD2-CG2 4.22Å; L2892-I2907 HydrophobicContact CD2-CD1 4.34Å |
| 2893 | T | 94.5 | Very high | 92.7 | Very high | 1.2 Ų | 1.2 | 40.8 Ų | 40.8 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.4 | -25.1 | 178.5 | -56.1 | 0 | 0 | 0 | 0 | 113 | L2889 I2890 T2891 Y2900 I2903 W2908 I2941 M2942 T2945 | L2889-T2893 WeakPolarHBondContact O-CB 3.38Å; L2889-T2893 PolarHBondContact O-N 3.11Å; L2889-T2893 PolarHBondContact O-OG1 3.33Å; I2890-T2893 WeakPolarHBondContact O-CB 3.37Å; I2890-T2893 PolarHBondContact O-N 3.16Å; I2890-T2893 VanDerWaalsContact O-N 3.14Å; T2891-T2893 VanDerWaalsContact C-N 3.27Å; T2891-T2893 PolarHBondContact O-N 3.02Å; T2893-Y2900 HydrophobicContact CG2-CD2 4.06Å; T2893-Y2900 HydrophobicContact CG2-CE2 3.78Å; T2893-Y2900 WeakPolarHBondContact O-CD2 3.15Å; T2893-I2903 HydrophobicContact CG2-CG2 4.16Å; T2893-I2903 WeakPolarHBondContact OG1-CG2 3.39Å; T2893-W2908 PolarHBondContact OG1-NE1 3.17Å; T2893-I2941 HydrophobicContact CG2-CG2 4.32Å; T2893-M2942 HydrophobicContact CG2-CE 4.29Å; T2893-T2945 HydrophobicContact CG2-CG2 4.42Å |
| 2894 | I | 92.1 | Very high | 92.8 | Very high | 38.4 Ų | 38.4 | 40.5 Ų | 40.5 | 20% | 0.197 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -85.5 | -39.2 | 178.1 | -68.5 | 161.4 | 0 | 0 | 0 | 111 | I2890 T2891 L2892 R2928 Q2938 I2941 M2942 | I2890-I2894 HydrophobicContact CG2-CD1 3.85Å; I2890-I2894 WeakPolarHBondContact O-CD1 3.28Å; I2890-I2894 WeakPolarHBondContact O-CG1 3.44Å; I2890-I2894 PolarHBondContact O-N 3.05Å; I2890-I2894 VanDerWaalsContact O-N 3.11Å; T2891-I2894 WeakPolarHBondContact O-CB 3.27Å; T2891-I2894 PolarHBondContact O-N 3.24Å; L2892-I2894 VanDerWaalsContact C-N 3.28Å; L2892-I2894 PolarHBondContact O-N 3.16Å; I2894-R2928 HydrophobicContact CD1-CG 4.44Å; I2894-Q2938 HydrophobicContact CD1-CB 4.11Å; I2894-Q2938 HydrophobicContact CD1-CG 3.91Å; I2894-Q2938 HydrophobicContact CG1-CG 4.47Å; I2894-Q2938 HydrophobicContact CG2-CG 4.09Å; I2894-I2941 HydrophobicContact CG1-CG2 4.11Å; I2894-M2942 HydrophobicContact CD1-CE 4.36Å; I2894-M2942 HydrophobicContact CG1-CE 4.21Å |
| 2895 | E | 91.3 | Very high | 92.8 | Very high | 132 Ų | 132 | 43.4 Ų | 43.4 | 62% | 0.617 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -77.6 | -36.4 | -176.8 | -68.2 | 175.3 | 168 | 0 | 0 | 113.1 | T2891 L2892 E2897 | T2891-E2895 HydrophobicContact CG2-CG 4.35Å; T2891-E2895 WeakPolarHBondContact CG2-OE1 3.36Å; T2891-E2895 WeakPolarHBondContact O-CG 3.39Å; T2891-E2895 PolarHBondContact O-N 2.95Å; L2892-E2895 PolarHBondContact O-N 2.94Å; E2895-E2897 PolarHBondContact O-N 3.24Å; E2895-E2897 VanDerWaalsContact O-N 3.12Å |
| 2896 | E | 91.1 | Very high | 92.8 | Very high | 27.6 Ų | 27.6 | 46.4 Ų | 46.4 | 13% | 0.129 | 23% | 0.234 | C | C | . | . | trans | -91.9 | 68.5 | -169.5 | -65.5 | -75.9 | 168.3 | 0 | 0 | 113.2 | F2846 K2854 L2892 Q2898 M2899 Y2900 I2903 | F2846-E2896 HydrophobicContact CD1-CG 4.2Å; F2846-E2896 HydrophobicContact CE1-CB 4.46Å; F2846-E2896 HydrophobicContact CE1-CG 3.78Å; K2854-E2896 VanDerWaalsContact CE-OE1 3.28Å; K2854-E2896 WeakPolarHBondContact CE-OE1 3.33Å; K2854-E2896 WeakPolarHBondContact CE-OE2 3.36Å; K2854-E2896 IonicContact NZ-OE1 3.53Å; K2854-E2896 PolarHBondContact NZ-OE1 2.93Å; K2854-E2896 IonicContact NZ-OE2 3.23Å; K2854-E2896 PolarHBondContact NZ-OE2 3.08Å; L2892-E2896 HydrophobicContact CG-CG 4.28Å; L2892-E2896 VanDerWaalsContact O-CB 3.26Å; L2892-E2896 WeakPolarHBondContact O-CB 3.34Å; L2892-E2896 VanDerWaalsContact O-CG 3.31Å; L2892-E2896 WeakPolarHBondContact O-CG 3.35Å; L2892-E2896 PolarHBondContact O-N 2.97Å; L2892-E2896 VanDerWaalsContact O-N 3.11Å; E2896-Q2898 VanDerWaalsContact C-N 3.34Å; E2896-Q2898 PolarHBondContact O-N 3.07Å; E2896-M2899 HydrophobicContact CB-CB 4.34Å; E2896-M2899 PolarHBondContact O-N 3.2Å; E2896-M2899 VanDerWaalsContact O-N 3.14Å; E2896-Y2900 PolarHBondContact O-N 3.14Å; E2896-Y2900 VanDerWaalsContact O-N 3.16Å; E2896-I2903 HydrophobicContact CB-CD1 3.65Å; E2896-I2903 HydrophobicContact CG-CD1 4.46Å | ||
| 2897 | E | 87.6 | Confident | 92.8 | Very high | 90.4 Ų | 90.4 | 46.4 Ų | 46.4 | 42% | 0.422 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -53.9 | -46.8 | -176.4 | -178.7 | 174.3 | -170.9 | 0 | 0 | 113.6 | E2895 M2899 Y2900 R3098 S3099 | E2895-E2897 PolarHBondContact O-N 3.24Å; E2895-E2897 VanDerWaalsContact O-N 3.12Å; E2897-M2899 VanDerWaalsContact C-N 3.32Å; E2897-M2899 PolarHBondContact O-N 3.28Å; E2897-Y2900 VanDerWaalsContact O-CB 3.23Å; E2897-Y2900 WeakPolarHBondContact O-CB 3.43Å; E2897-Y2900 PolarHBondContact O-N 3.33Å; E2897-R3098 VanDerWaalsContact CD-CB 3.5Å; E2897-R3098 VanDerWaalsContact OE1-CB 3.26Å; E2897-R3098 WeakPolarHBondContact OE1-CB 3.38Å; E2897-R3098 WeakPolarHBondContact OE1-CD 3.42Å; E2897-R3098 WeakPolarHBondContact OE2-CB 3.35Å; E2897-S3099 PolarHBondContact OE2-OG 2.69Å; E2897-S3099 VanDerWaalsContact OE2-OG 3.08Å |
| 2898 | Q | 87.5 | Confident | 92.8 | Very high | 158 Ų | 158 | 44 Ų | 44 | 74% | 0.738 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -66.8 | -32.8 | -175.2 | -64.7 | -177.3 | -1.4 | 0 | 0 | 113 | E2896 Y2900 | E2896-Q2898 VanDerWaalsContact C-N 3.34Å; E2896-Q2898 PolarHBondContact O-N 3.07Å; Q2898-Y2900 VanDerWaalsContact C-N 3.3Å |
| 2899 | M | 90 | Very high | 92.8 | Very high | 5.8 Ų | 5.8 | 41.7 Ų | 41.7 | 3% | 0.029 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -93.8 | 0.7 | -177.5 | -66.5 | -103.5 | -28.2 | 0 | 0 | 112.9 | F2846 I2851 K2854 H2855 L2858 E2896 E2897 S2902 I2903 | F2846-M2899 HydrophobicContact CZ-CE 4.43Å; F2846-M2899 HydrophobicContact CZ-CG 4.45Å; F2846-M2899 HydrophobicContact CZ-SD 4.29Å; I2851-M2899 HydrophobicContact CG2-SD 4.2Å; K2854-M2899 HydrophobicContact CB-CE 3.96Å; K2854-M2899 HydrophobicContact CB-CG 4.44Å; K2854-M2899 HydrophobicContact CB-SD 3.89Å; K2854-M2899 VanDerWaalsContact CB-SD 3.56Å; K2854-M2899 WeakPolarHBondContact CB-SD 3.36Å; K2854-M2899 HydrophobicContact CD-CG 4.3Å; K2854-M2899 HydrophobicContact CD-SD 4.01Å; K2854-M2899 HydrophobicContact CG-SD 4.4Å; H2855-M2899 HydrophobicContact CB-CE 4.41Å; H2855-M2899 VanDerWaalsContact CE1-CE 3.48Å; H2855-M2899 WeakPolarHBondContact CE1-CE 3.25Å; H2855-M2899 VanDerWaalsContact CE1-SD 3.58Å; H2855-M2899 WeakPolarHBondContact ND1-CE 3.13Å; L2858-M2899 HydrophobicContact CD1-CE 3.73Å; L2858-M2899 HydrophobicContact CG-CE 4.42Å; E2896-M2899 HydrophobicContact CB-CB 4.34Å; E2896-M2899 PolarHBondContact O-N 3.2Å; E2896-M2899 VanDerWaalsContact O-N 3.14Å; E2897-M2899 VanDerWaalsContact C-N 3.32Å; E2897-M2899 PolarHBondContact O-N 3.28Å; M2899-S2902 WeakPolarHBondContact O-CA 3.25Å; M2899-S2902 WeakPolarHBondContact O-CB 3.34Å; M2899-S2902 PolarHBondContact O-N 2.99Å; M2899-I2903 HydrophobicContact CB-CD1 3.83Å; M2899-I2903 HydrophobicContact CB-CG1 4.31Å; M2899-I2903 WeakPolarHBondContact O-CG1 3.26Å; M2899-I2903 PolarHBondContact O-N 2.98Å |
| 2900 | Y | 92.4 | Very high | 92.7 | Very high | 22.2 Ų | 22.2 | 44.7 Ų | 44.7 | 9% | 0.087 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -48.6 | -48.4 | -172.6 | -177.7 | -108.1 | 0 | 0 | 0 | 114.2 | T2893 E2896 E2897 Q2898 S2902 I2903 Q2904 I2941 D2944 T2945 | T2893-Y2900 HydrophobicContact CG2-CD2 4.06Å; T2893-Y2900 HydrophobicContact CG2-CE2 3.78Å; T2893-Y2900 WeakPolarHBondContact O-CD2 3.15Å; E2896-Y2900 PolarHBondContact O-N 3.14Å; E2896-Y2900 VanDerWaalsContact O-N 3.16Å; E2897-Y2900 VanDerWaalsContact O-CB 3.23Å; E2897-Y2900 WeakPolarHBondContact O-CB 3.43Å; E2897-Y2900 PolarHBondContact O-N 3.33Å; Q2898-Y2900 VanDerWaalsContact C-N 3.3Å; Y2900-S2902 VanDerWaalsContact C-N 3.31Å; Y2900-S2902 PolarHBondContact O-N 3.2Å; Y2900-I2903 PolarHBondContact O-N 3.28Å; Y2900-Q2904 HydrophobicContact CD1-CG 4.36Å; Y2900-Q2904 HydrophobicContact CE1-CG 4.1Å; Y2900-Q2904 HydrophobicContact CE2-CG 4.33Å; Y2900-Q2904 VanDerWaalsContact O-CG 3.29Å; Y2900-Q2904 WeakPolarHBondContact O-CG 3.38Å; Y2900-Q2904 PolarHBondContact O-N 3.13Å; Y2900-Q2904 PolarHBondContact OH-NE2 3.14Å; Y2900-I2941 HydrophobicContact CE2-CG2 3.75Å; Y2900-I2941 PolarHBondContact OH-O 3.14Å; Y2900-D2944 VanDerWaalsContact CE1-OD2 3.29Å; Y2900-D2944 WeakPolarHBondContact CE1-OD2 3.41Å; Y2900-D2944 PolarHBondContact OH-OD2 3.16Å; Y2900-T2945 PolarHBondContact OH-OG1 3.15Å; Y2900-T2945 VanDerWaalsContact OH-OG1 3.08Å |
| 2901 | P | 93.4 | Very high | 92.6 | Very high | 78.6 Ų | 78.6 | 44.8 Ų | 44.8 | 51% | 0.51 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.1 | -36.4 | 178 | -20.9 | 34.2 | 0 | 0 | 0 | 113.5 | Q2904 I2905 | P2901-Q2904 PolarHBondContact O-N 3.18Å; P2901-I2905 WeakPolarHBondContact O-CG1 3.39Å; P2901-I2905 PolarHBondContact O-N 2.97Å; P2901-I2905 VanDerWaalsContact O-N 3.12Å |
| 2902 | S | 93.2 | Very high | 92.5 | Very high | 38.4 Ų | 38.4 | 42.6 Ų | 42.6 | 27% | 0.269 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -68.6 | -40.3 | 177.4 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | M2899 Y2900 I2905 K2906 | M2899-S2902 WeakPolarHBondContact O-CA 3.25Å; M2899-S2902 WeakPolarHBondContact O-CB 3.34Å; M2899-S2902 PolarHBondContact O-N 2.99Å; Y2900-S2902 VanDerWaalsContact C-N 3.31Å; Y2900-S2902 PolarHBondContact O-N 3.2Å; S2902-I2905 PolarHBondContact O-N 3.17Å; S2902-K2906 VanDerWaalsContact O-CB 3.3Å; S2902-K2906 WeakPolarHBondContact O-CB 3.41Å; S2902-K2906 VanDerWaalsContact O-CG 3.32Å; S2902-K2906 WeakPolarHBondContact O-CG 3.34Å; S2902-K2906 PolarHBondContact O-N 2.89Å |
| 2903 | I | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.7 | -46 | 174.7 | -69 | 159.8 | 0 | 0 | 0 | 110.6 | L2858 L2892 T2893 E2896 M2899 Y2900 I2905 I2907 W2908 | L2858-I2903 HydrophobicContact CD1-CG1 4.15Å; L2858-I2903 HydrophobicContact CD2-CG1 4.22Å; L2892-I2903 HydrophobicContact CD2-CD1 3.64Å; L2892-I2903 HydrophobicContact CD2-CG1 3.97Å; L2892-I2903 HydrophobicContact CD2-CG2 4.22Å; T2893-I2903 HydrophobicContact CG2-CG2 4.16Å; T2893-I2903 WeakPolarHBondContact OG1-CG2 3.39Å; E2896-I2903 HydrophobicContact CB-CD1 3.65Å; E2896-I2903 HydrophobicContact CG-CD1 4.46Å; M2899-I2903 HydrophobicContact CB-CD1 3.83Å; M2899-I2903 HydrophobicContact CB-CG1 4.31Å; M2899-I2903 WeakPolarHBondContact O-CG1 3.26Å; M2899-I2903 PolarHBondContact O-N 2.98Å; Y2900-I2903 PolarHBondContact O-N 3.28Å; I2903-I2905 VanDerWaalsContact C-N 3.35Å; I2903-I2905 PolarHBondContact O-N 3.2Å; I2903-I2907 HydrophobicContact CG1-CD1 4.41Å; I2903-I2907 HydrophobicContact CG2-CB 4.47Å; I2903-I2907 HydrophobicContact CG2-CD1 4.15Å; I2903-I2907 HydrophobicContact CG2-CG1 4.41Å; I2903-I2907 WeakPolarHBondContact O-CB 3.44Å; I2903-I2907 PolarHBondContact O-N 3.06Å; I2903-W2908 PolarHBondContact O-N 3.11Å |
| 2904 | Q | 93.7 | Very high | 92.3 | Very high | 26.2 Ų | 26.2 | 47.7 Ų | 47.7 | 12% | 0.122 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -56.4 | -46.6 | 175.8 | -73.2 | -96.7 | -26.4 | 0 | 0 | 112.2 | Y2900 P2901 W2908 G2909 D2944 T2945 A2948 | Y2900-Q2904 HydrophobicContact CD1-CG 4.36Å; Y2900-Q2904 HydrophobicContact CE1-CG 4.1Å; Y2900-Q2904 HydrophobicContact CE2-CG 4.33Å; Y2900-Q2904 VanDerWaalsContact O-CG 3.29Å; Y2900-Q2904 WeakPolarHBondContact O-CG 3.38Å; Y2900-Q2904 PolarHBondContact O-N 3.13Å; Y2900-Q2904 PolarHBondContact OH-NE2 3.14Å; P2901-Q2904 PolarHBondContact O-N 3.18Å; Q2904-W2908 CarbonylContact O-C 3.54Å; Q2904-W2908 PolarHBondContact O-N 3.32Å; Q2904-G2909 PolarHBondContact O-N 3.07Å; Q2904-D2944 PolarHBondContact NE2-OD2 2.98Å; Q2904-D2944 VanDerWaalsContact NE2-OD2 3.09Å; Q2904-T2945 HydrophobicContact CG-CG2 4.42Å; Q2904-T2945 PolarHBondContact NE2-OG1 3.19Å; Q2904-A2948 HydrophobicContact CB-CB 4.26Å; Q2904-A2948 HydrophobicContact CG-CB 4.49Å; Q2904-A2948 VanDerWaalsContact OE1-CB 3.23Å |
| 2905 | I | 92.4 | Very high | 92.2 | Very high | 124.4 Ų | 124.4 | 48.6 Ų | 48.6 | 64% | 0.638 | 25% | 0.247 | S | C | * | . | I | π-helix | trans | -72.8 | -48.5 | -177.4 | -66.2 | 167.4 | 0 | 0 | 0 | 111.7 | P2901 S2902 I2903 G2909 | P2901-I2905 WeakPolarHBondContact O-CG1 3.39Å; P2901-I2905 PolarHBondContact O-N 2.97Å; P2901-I2905 VanDerWaalsContact O-N 3.12Å; S2902-I2905 PolarHBondContact O-N 3.17Å; I2903-I2905 VanDerWaalsContact C-N 3.35Å; I2903-I2905 PolarHBondContact O-N 3.2Å; I2905-G2909 WeakPolarHBondContact O-CA 3.33Å |
| 2906 | K | 93.4 | Very high | 92.1 | Very high | 62.8 Ų | 62.8 | 48 Ų | 48 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -79.4 | -44.3 | -171 | -65.3 | -71.6 | -175.9 | 168.3 | 0 | 113.2 | L2858 E2859 T2862 S2902 K2910 | L2858-K2906 HydrophobicContact CB-CB 4.21Å; L2858-K2906 HydrophobicContact CB-CG 4.21Å; E2859-K2906 WeakPolarHBondContact OE1-CE 3.36Å; E2859-K2906 IonicContact OE1-NZ 3.19Å; E2859-K2906 PolarHBondContact OE1-NZ 3.21Å; E2859-K2906 IonicContact OE2-NZ 3.14Å; E2859-K2906 PolarHBondContact OE2-NZ 3.2Å; T2862-K2906 PolarHBondContact OG1-O 3.25Å; S2902-K2906 VanDerWaalsContact O-CB 3.3Å; S2902-K2906 WeakPolarHBondContact O-CB 3.41Å; S2902-K2906 VanDerWaalsContact O-CG 3.32Å; S2902-K2906 WeakPolarHBondContact O-CG 3.34Å; S2902-K2906 PolarHBondContact O-N 2.89Å; K2906-K2910 VanDerWaalsContact O-CB 3.24Å; K2906-K2910 WeakPolarHBondContact O-CB 3.44Å |
| 2907 | I | 95.2 | Very high | 92 | Very high | 1.4 Ų | 1.4 | 46.8 Ų | 46.8 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -88.8 | -64.2 | -177.3 | -58.8 | 178.7 | 0 | 0 | 0 | 110 | L2858 I2861 L2865 L2889 L2892 I2903 K2910 L2911 | L2858-I2907 HydrophobicContact CD2-CD1 3.69Å; L2858-I2907 HydrophobicContact CD2-CG1 4.1Å; I2861-I2907 HydrophobicContact CD1-CD1 4.14Å; I2861-I2907 HydrophobicContact CD1-CG1 4.09Å; L2865-I2907 HydrophobicContact CD1-CB 4.28Å; L2865-I2907 HydrophobicContact CD1-CG1 4.27Å; L2865-I2907 HydrophobicContact CD1-CG2 4.02Å; L2889-I2907 HydrophobicContact CD1-CG2 4.06Å; L2889-I2907 HydrophobicContact CD2-CD1 3.96Å; L2889-I2907 HydrophobicContact CD2-CG1 4.48Å; L2889-I2907 HydrophobicContact CD2-CG2 4.13Å; L2889-I2907 HydrophobicContact CG-CG2 4.5Å; L2892-I2907 HydrophobicContact CD2-CD1 4.34Å; I2903-I2907 HydrophobicContact CG1-CD1 4.41Å; I2903-I2907 HydrophobicContact CG2-CB 4.47Å; I2903-I2907 HydrophobicContact CG2-CD1 4.15Å; I2903-I2907 HydrophobicContact CG2-CG1 4.41Å; I2903-I2907 WeakPolarHBondContact O-CB 3.44Å; I2903-I2907 PolarHBondContact O-N 3.06Å; I2907-K2910 PolarHBondContact O-N 2.99Å; I2907-L2911 HydrophobicContact CG2-CD1 4.16Å; I2907-L2911 WeakPolarHBondContact O-CG 3.27Å; I2907-L2911 PolarHBondContact O-N 3.06Å |
| 2908 | W | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -72.8 | -39.9 | -171.5 | -59.6 | 116 | 0 | 0 | 0 | 112.4 | I2886 L2889 I2890 T2893 I2903 Q2904 K2910 L2911 G2912 V2921 F2925 T2945 A2948 L2949 | I2886-W2908 HydrophobicContact CG2-CH2 4.45Å; L2889-W2908 HydrophobicContact CB-CH2 3.88Å; L2889-W2908 HydrophobicContact CB-CZ2 3.87Å; I2890-W2908 HydrophobicContact CG1-CH2 3.99Å; I2890-W2908 HydrophobicContact CG1-CZ2 4.11Å; T2893-W2908 PolarHBondContact OG1-NE1 3.17Å; I2903-W2908 PolarHBondContact O-N 3.11Å; Q2904-W2908 CarbonylContact O-C 3.54Å; Q2904-W2908 PolarHBondContact O-N 3.32Å; W2908-K2910 VanDerWaalsContact C-N 3.29Å; W2908-K2910 PolarHBondContact O-N 2.98Å; W2908-L2911 HydrophobicContact CE3-CD1 3.66Å; W2908-L2911 HydrophobicContact CH2-CD1 4.45Å; W2908-L2911 HydrophobicContact CZ3-CD1 3.57Å; W2908-L2911 CarbonylContact O-C 3.57Å; W2908-L2911 PolarHBondContact O-N 2.98Å; W2908-G2912 PolarHBondContact O-N 3Å; W2908-V2921 HydrophobicContact CE3-CG1 4.09Å; W2908-V2921 HydrophobicContact CH2-CG1 4.48Å; W2908-V2921 HydrophobicContact CZ3-CG1 3.66Å; W2908-V2921 HydrophobicContact CZ3-CG2 4.44Å; W2908-F2925 HydrophobicContact CD2-CE1 4.41Å; W2908-F2925 AromaticContact CD2-CZ 3.88Å; W2908-F2925 HydrophobicContact CD2-CZ 3.88Å; W2908-F2925 AromaticContact CE2-CZ 3.95Å; W2908-F2925 AromaticContact CE3-CE1 3.96Å; W2908-F2925 HydrophobicContact CE3-CE1 4.04Å; W2908-F2925 AromaticContact CE3-CZ 3.73Å; W2908-F2925 HydrophobicContact CE3-CZ 3.73Å; W2908-F2925 AromaticContact CH2-CE1 3.58Å; W2908-F2925 HydrophobicContact CH2-CE1 3.58Å; W2908-F2925 AromaticContact CH2-CZ 3.71Å; W2908-F2925 HydrophobicContact CH2-CZ 4.02Å; W2908-F2925 AromaticContact CZ2-CE1 3.95Å; W2908-F2925 HydrophobicContact CZ2-CE1 3.97Å; W2908-F2925 AromaticContact CZ2-CZ 3.86Å; W2908-F2925 HydrophobicContact CZ2-CZ 4.12Å; W2908-F2925 AromaticContact CZ3-CE1 3.61Å; W2908-F2925 HydrophobicContact CZ3-CE1 3.61Å; W2908-F2925 AromaticContact CZ3-CZ 3.81Å; W2908-F2925 HydrophobicContact CZ3-CZ 3.81Å; W2908-T2945 HydrophobicContact CB-CG2 4.17Å; W2908-T2945 VanDerWaalsContact CD1-CG2 3.42Å; W2908-T2945 HydrophobicContact CD2-CG2 4.01Å; W2908-T2945 HydrophobicContact CG-CG2 3.58Å; W2908-T2945 VanDerWaalsContact CG-CG2 3.49Å; W2908-A2948 HydrophobicContact CB-CB 4.27Å; W2908-L2949 HydrophobicContact CB-CD2 4.34Å; W2908-L2949 HydrophobicContact CE3-CD2 4.33Å; W2908-L2949 WeakPolarHBondContact O-CD2 3.31Å |
| 2909 | G | 93.1 | Very high | 92.4 | Very high | 12 Ų | 12 | 36.1 Ų | 36.1 | 12% | 0.124 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.2 | -37 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q2904 I2905 G2912 | Q2904-G2909 PolarHBondContact O-N 3.07Å; I2905-G2909 WeakPolarHBondContact O-CA 3.33Å; G2909-G2912 PolarHBondContact O-N 3.26Å |
| 2910 | K | 92.6 | Very high | 92.4 | Very high | 63.2 Ų | 63.2 | 37 Ų | 37 | 28% | 0.275 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -72.9 | -42.6 | 175.6 | -169.8 | 68.2 | -175.4 | 170.3 | 0 | 112.4 | T2862 L2865 K2906 I2907 W2908 G2912 Q2913 | T2862-K2910 HydrophobicContact CG2-CB 4.12Å; T2862-K2910 HydrophobicContact CG2-CD 4.08Å; T2862-K2910 HydrophobicContact CG2-CG 3.84Å; L2865-K2910 HydrophobicContact CD1-CB 4.5Å; K2906-K2910 VanDerWaalsContact O-CB 3.24Å; K2906-K2910 WeakPolarHBondContact O-CB 3.44Å; I2907-K2910 PolarHBondContact O-N 2.99Å; W2908-K2910 VanDerWaalsContact C-N 3.29Å; W2908-K2910 PolarHBondContact O-N 2.98Å; K2910-G2912 PolarHBondContact O-N 3.15Å; K2910-Q2913 WeakPolarHBondContact O-CB 3.32Å; K2910-Q2913 PolarHBondContact O-N 3.23Å; K2910-Q2913 VanDerWaalsContact O-N 3.09Å |
| 2911 | L | 93.1 | Very high | 92.5 | Very high | 1.2 Ų | 1.2 | 36 Ų | 36 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.9 | -30 | 172.7 | -72.4 | 172.4 | 0 | 0 | 0 | 112.1 | L2865 L2889 I2907 W2908 Q2913 V2914 L2917 V2921 L2949 | L2865-L2911 HydrophobicContact CB-CD2 4.01Å; L2865-L2911 HydrophobicContact CB-CG 4.42Å; L2865-L2911 HydrophobicContact CD1-CG 4.46Å; L2889-L2911 HydrophobicContact CD1-CD1 4.45Å; I2907-L2911 HydrophobicContact CG2-CD1 4.16Å; I2907-L2911 WeakPolarHBondContact O-CG 3.27Å; I2907-L2911 PolarHBondContact O-N 3.06Å; W2908-L2911 HydrophobicContact CE3-CD1 3.66Å; W2908-L2911 HydrophobicContact CH2-CD1 4.45Å; W2908-L2911 HydrophobicContact CZ3-CD1 3.57Å; W2908-L2911 CarbonylContact O-C 3.57Å; W2908-L2911 PolarHBondContact O-N 2.98Å; L2911-Q2913 PolarHBondContact O-N 2.99Å; L2911-V2914 PolarHBondContact O-N 3.14Å; L2911-L2917 HydrophobicContact CD2-CD1 3.77Å; L2911-L2917 HydrophobicContact CD2-CD2 3.6Å; L2911-V2921 HydrophobicContact CD1-CG2 4.42Å; L2911-L2949 HydrophobicContact CB-CD2 4.4Å |
| 2912 | G | 91.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.8 | -30.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114 | W2908 G2909 K2910 V2914 V2952 N2953 | W2908-G2912 PolarHBondContact O-N 3Å; G2909-G2912 PolarHBondContact O-N 3.26Å; K2910-G2912 PolarHBondContact O-N 3.15Å; G2912-V2914 VanDerWaalsContact C-N 3.29Å; G2912-V2914 PolarHBondContact O-N 3.19Å; G2912-V2952 VanDerWaalsContact C-CG1 3.47Å; G2912-N2953 WeakPolarHBondContact O-CB 3.22Å; G2912-N2953 PolarHBondContact O-ND2 2.95Å |
| 2913 | Q | 91.7 | Very high | 92.4 | Very high | 105.8 Ų | 105.8 | 33.3 Ų | 33.3 | 49% | 0.494 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -6.5 | 178 | -59.7 | 175.2 | 5 | 0 | 0 | 113.1 | K2910 L2911 P2915 V2952 N2953 | K2910-Q2913 WeakPolarHBondContact O-CB 3.32Å; K2910-Q2913 PolarHBondContact O-N 3.23Å; K2910-Q2913 VanDerWaalsContact O-N 3.09Å; L2911-Q2913 PolarHBondContact O-N 2.99Å; Q2913-P2915 VanDerWaalsContact O-CD 3.26Å; Q2913-P2915 WeakPolarHBondContact O-CD 3.32Å; Q2913-V2952 HydrophobicContact CB-CG1 4.32Å; Q2913-V2952 HydrophobicContact CG-CB 4.29Å; Q2913-V2952 HydrophobicContact CG-CG1 3.74Å; Q2913-V2952 HydrophobicContact CG-CG2 3.88Å; Q2913-N2953 PolarHBondContact O-ND2 3.11Å |
| 2914 | V | 92 | Very high | 92.4 | Very high | 14 Ų | 14 | 34.1 Ų | 34.1 | 9% | 0.085 | 18% | 0.178 | C | C | . | . | trans | -115.8 | 87.2 | -168.6 | -171.7 | 0 | 0 | 0 | 0 | 110.7 | P2866 T2869 L2911 G2912 Q2916 L2917 L2918 | P2866-V2914 HydrophobicContact CB-CG2 4.15Å; P2866-V2914 HydrophobicContact CG-CG2 4.36Å; T2869-V2914 HydrophobicContact CG2-CG1 3.23Å; L2911-V2914 PolarHBondContact O-N 3.14Å; G2912-V2914 VanDerWaalsContact C-N 3.29Å; G2912-V2914 PolarHBondContact O-N 3.19Å; V2914-Q2916 VanDerWaalsContact C-N 3.29Å; V2914-Q2916 PolarHBondContact O-N 3.06Å; V2914-Q2916 VanDerWaalsContact O-N 3.09Å; V2914-L2917 HydrophobicContact CB-CB 4.44Å; V2914-L2917 HydrophobicContact CB-CD1 4.25Å; V2914-L2917 HydrophobicContact CB-CG 4.48Å; V2914-L2917 HydrophobicContact CG1-CB 4.23Å; V2914-L2917 HydrophobicContact CG1-CD1 3.76Å; V2914-L2917 HydrophobicContact CG1-CG 3.9Å; V2914-L2917 PolarHBondContact O-N 3Å; V2914-L2918 PolarHBondContact O-N 2.99Å | ||
| 2915 | P | 90.3 | Very high | 92.4 | Very high | 56.6 Ų | 56.6 | 32.9 Ų | 32.9 | 37% | 0.368 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -58.5 | -29.1 | -168.6 | 2.3 | -7.1 | 0 | 0 | 0 | 115 | Q2913 L2917 L2956 | Q2913-P2915 VanDerWaalsContact O-CD 3.26Å; Q2913-P2915 WeakPolarHBondContact O-CD 3.32Å; P2915-L2917 VanDerWaalsContact C-N 3.33Å; P2915-L2917 PolarHBondContact O-N 3.34Å; P2915-L2956 HydrophobicContact CB-CD1 3.54Å; P2915-L2956 VanDerWaalsContact CB-CD1 3.44Å; P2915-L2956 HydrophobicContact CG-CD1 4.37Å |
| 2916 | Q | 88.8 | Confident | 92.4 | Very high | 120.4 Ų | 120.4 | 27.3 Ų | 27.3 | 56% | 0.563 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -72.8 | -27.4 | -179.3 | -55.7 | 81.9 | 1.2 | 0 | 0 | 112.5 | T2869 V2914 | T2869-Q2916 HydrophobicContact CG2-CB 4.27Å; V2914-Q2916 VanDerWaalsContact C-N 3.29Å; V2914-Q2916 PolarHBondContact O-N 3.06Å; V2914-Q2916 VanDerWaalsContact O-N 3.09Å |
| 2917 | L | 90.8 | Very high | 92.3 | Very high | 1.4 Ų | 1.4 | 30.4 Ų | 30.4 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -88.3 | -28.8 | 179.8 | -81.5 | 161 | 0 | 0 | 0 | 112.9 | L2868 T2869 C2872 V2882 I2886 L2911 V2914 P2915 G2919 L2920 V2921 | L2868-L2917 HydrophobicContact CB-CD1 3.92Å; L2868-L2917 HydrophobicContact CB-CD2 4.12Å; L2868-L2917 HydrophobicContact CD1-CD2 4.02Å; T2869-L2917 HydrophobicContact CG2-CB 4.47Å; T2869-L2917 HydrophobicContact CG2-CD1 3.97Å; T2869-L2917 HydrophobicContact CG2-CD2 4.3Å; T2869-L2917 HydrophobicContact CG2-CG 3.76Å; C2872-L2917 VanDerWaalsContact SG-CD2 3.58Å; V2882-L2917 HydrophobicContact CG1-CD1 4.15Å; I2886-L2917 HydrophobicContact CD1-CD2 4.07Å; I2886-L2917 HydrophobicContact CD1-CG 4.3Å; L2911-L2917 HydrophobicContact CD2-CD1 3.77Å; L2911-L2917 HydrophobicContact CD2-CD2 3.6Å; V2914-L2917 HydrophobicContact CB-CB 4.44Å; V2914-L2917 HydrophobicContact CB-CD1 4.25Å; V2914-L2917 HydrophobicContact CB-CG 4.48Å; V2914-L2917 HydrophobicContact CG1-CB 4.23Å; V2914-L2917 HydrophobicContact CG1-CD1 3.76Å; V2914-L2917 HydrophobicContact CG1-CG 3.9Å; V2914-L2917 PolarHBondContact O-N 3Å; P2915-L2917 VanDerWaalsContact C-N 3.33Å; P2915-L2917 PolarHBondContact O-N 3.34Å; L2917-G2919 PolarHBondContact O-N 3.18Å; L2917-G2919 VanDerWaalsContact O-N 3.07Å; L2917-L2920 PolarHBondContact O-N 3.21Å; L2917-V2921 HydrophobicContact CB-CG2 4.47Å; L2917-V2921 HydrophobicContact CD2-CG2 4.03Å; L2917-V2921 HydrophobicContact CG-CG2 4.09Å; L2917-V2921 WeakPolarHBondContact O-CG2 3.4Å; L2917-V2921 PolarHBondContact O-N 3.03Å |
| 2918 | L | 91.7 | Very high | 92.2 | Very high | 3.4 Ų | 3.4 | 33.7 Ų | 33.7 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -47.7 | -37.7 | 179.3 | -73.3 | 178.9 | 0 | 0 | 0 | 113.2 | V2914 L2920 L2922 L2949 N2953 L2956 V2957 | V2914-L2918 PolarHBondContact O-N 2.99Å; L2918-L2920 VanDerWaalsContact C-N 3.32Å; L2918-L2920 PolarHBondContact O-N 3.22Å; L2918-L2922 VanDerWaalsContact O-CB 3.31Å; L2918-L2922 WeakPolarHBondContact O-CB 3.36Å; L2918-L2922 WeakPolarHBondContact O-CD1 3.33Å; L2918-L2922 VanDerWaalsContact O-CG 3.28Å; L2918-L2922 WeakPolarHBondContact O-CG 3.43Å; L2918-L2922 PolarHBondContact O-N 3.17Å; L2918-L2922 VanDerWaalsContact O-N 3.11Å; L2918-L2949 HydrophobicContact CD2-CB 4.26Å; L2918-L2949 HydrophobicContact CD2-CD2 4.15Å; L2918-N2953 HydrophobicContact CD1-CB 3.74Å; L2918-L2956 HydrophobicContact CD1-CB 4.01Å; L2918-L2956 HydrophobicContact CD1-CD1 4.25Å; L2918-V2957 HydrophobicContact CD1-CG2 4.32Å; L2918-V2957 HydrophobicContact CD2-CG2 4.19Å |
| 2919 | G | 90.2 | Very high | 92 | Very high | 19.4 Ų | 19.4 | 33.7 Ų | 33.7 | 20% | 0.2 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.5 | -51.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L2917 V2921 L2922 D2923 K2960 | L2917-G2919 PolarHBondContact O-N 3.18Å; L2917-G2919 VanDerWaalsContact O-N 3.07Å; G2919-V2921 VanDerWaalsContact C-N 3.33Å; G2919-V2921 PolarHBondContact O-N 2.89Å; G2919-L2922 PolarHBondContact O-N 3.12Å; G2919-D2923 WeakPolarHBondContact O-CB 3.48Å; G2919-D2923 VanDerWaalsContact O-CG 3.29Å; G2919-D2923 PolarHBondContact O-N 3.01Å; G2919-D2923 VanDerWaalsContact O-OD2 3.05Å; G2919-K2960 VanDerWaalsContact C-NZ 3.34Å; G2919-K2960 WeakPolarHBondContact O-CE 3.41Å; G2919-K2960 PolarHBondContact O-NZ 3.07Å |
| 2920 | L | 90.6 | Very high | 91.9 | Very high | 25.6 Ų | 25.6 | 35 Ų | 35 | 13% | 0.134 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -72.5 | -38.6 | -176.6 | -171.8 | 119 | 0 | 0 | 0 | 111.5 | R2879 V2882 N2883 I2886 L2917 L2918 D2923 N2924 | R2879-L2920 HydrophobicContact CG-CD1 4.23Å; V2882-L2920 HydrophobicContact CB-CD2 4.43Å; V2882-L2920 HydrophobicContact CG1-CD2 4.18Å; N2883-L2920 VanDerWaalsContact OD1-CD1 3.24Å; N2883-L2920 WeakPolarHBondContact OD1-CD1 3.4Å; N2883-L2920 VanDerWaalsContact OD1-CD2 3.29Å; N2883-L2920 WeakPolarHBondContact OD1-CD2 3.42Å; N2883-L2920 VanDerWaalsContact OD1-CG 3.29Å; N2883-L2920 WeakPolarHBondContact OD1-CG 3.31Å; I2886-L2920 HydrophobicContact CD1-CB 4.38Å; I2886-L2920 HydrophobicContact CD1-CD2 3.49Å; I2886-L2920 HydrophobicContact CD1-CG 4.04Å; L2917-L2920 PolarHBondContact O-N 3.21Å; L2918-L2920 VanDerWaalsContact C-N 3.32Å; L2918-L2920 PolarHBondContact O-N 3.22Å; L2920-D2923 PolarHBondContact O-N 3.2Å; L2920-N2924 PolarHBondContact O-N 3.15Å; L2920-N2924 VanDerWaalsContact O-N 3.11Å; L2920-N2924 PolarHBondContact O-ND2 3.02Å |
| 2921 | V | 94.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.4 | -50.3 | 175 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | I2886 W2908 L2911 L2917 G2919 D2923 N2924 F2925 L2949 | I2886-V2921 HydrophobicContact CD1-CG2 3.96Å; I2886-V2921 HydrophobicContact CG1-CG2 4.48Å; W2908-V2921 HydrophobicContact CE3-CG1 4.09Å; W2908-V2921 HydrophobicContact CH2-CG1 4.48Å; W2908-V2921 HydrophobicContact CZ3-CG1 3.66Å; W2908-V2921 HydrophobicContact CZ3-CG2 4.44Å; L2911-V2921 HydrophobicContact CD1-CG2 4.42Å; L2917-V2921 HydrophobicContact CB-CG2 4.47Å; L2917-V2921 HydrophobicContact CD2-CG2 4.03Å; L2917-V2921 HydrophobicContact CG-CG2 4.09Å; L2917-V2921 WeakPolarHBondContact O-CG2 3.4Å; L2917-V2921 PolarHBondContact O-N 3.03Å; G2919-V2921 VanDerWaalsContact C-N 3.33Å; G2919-V2921 PolarHBondContact O-N 2.89Å; V2921-D2923 VanDerWaalsContact C-N 3.3Å; V2921-D2923 PolarHBondContact O-N 3.12Å; V2921-N2924 PolarHBondContact O-N 3.26Å; V2921-F2925 HydrophobicContact CG1-CD1 3.92Å; V2921-F2925 HydrophobicContact CG1-CE1 3.61Å; V2921-F2925 HydrophobicContact CG1-CE2 4.41Å; V2921-F2925 HydrophobicContact CG1-CG 4.49Å; V2921-F2925 HydrophobicContact CG1-CZ 3.96Å; V2921-F2925 WeakPolarHBondContact O-CB 3.33Å; V2921-F2925 VanDerWaalsContact O-CD1 3.29Å; V2921-F2925 WeakPolarHBondContact O-CD1 3.34Å; V2921-F2925 PolarHBondContact O-N 3.05Å; V2921-L2949 HydrophobicContact CG1-CD1 3.77Å; V2921-L2949 HydrophobicContact CG1-CD2 4.39Å |
| 2922 | L | 93.3 | Very high | 91.5 | Very high | 1.8 Ų | 1.8 | 38.5 Ų | 38.5 | 1% | 0.009 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.1 | -32.8 | 179.7 | -71.1 | 171.3 | 0 | 0 | 0 | 112.7 | L2918 G2919 F2925 I2926 L2949 V2957 K2960 | L2918-L2922 VanDerWaalsContact O-CB 3.31Å; L2918-L2922 WeakPolarHBondContact O-CB 3.36Å; L2918-L2922 WeakPolarHBondContact O-CD1 3.33Å; L2918-L2922 VanDerWaalsContact O-CG 3.28Å; L2918-L2922 WeakPolarHBondContact O-CG 3.43Å; L2918-L2922 PolarHBondContact O-N 3.17Å; L2918-L2922 VanDerWaalsContact O-N 3.11Å; G2919-L2922 PolarHBondContact O-N 3.12Å; L2922-F2925 PolarHBondContact O-N 2.78Å; L2922-I2926 WeakPolarHBondContact O-CB 3.37Å; L2922-I2926 VanDerWaalsContact O-CD1 3.26Å; L2922-I2926 WeakPolarHBondContact O-CD1 3.29Å; L2922-I2926 WeakPolarHBondContact O-CG1 3.36Å; L2922-I2926 PolarHBondContact O-N 3.29Å; L2922-I2926 VanDerWaalsContact O-N 3.12Å; L2922-L2949 HydrophobicContact CD2-CD1 4.03Å; L2922-L2949 HydrophobicContact CG-CD1 4.47Å; L2922-V2957 HydrophobicContact CD1-CB 4.36Å; L2922-V2957 HydrophobicContact CD1-CG1 4.1Å; L2922-V2957 HydrophobicContact CD1-CG2 4.28Å; L2922-V2957 HydrophobicContact CD2-CG1 4.23Å; L2922-K2960 HydrophobicContact CB-CD 4.45Å; L2922-K2960 HydrophobicContact CB-CG 4.22Å; L2922-K2960 HydrophobicContact CD1-CB 4.09Å; L2922-K2960 HydrophobicContact CD1-CD 4.24Å; L2922-K2960 HydrophobicContact CD1-CG 4.21Å |
| 2923 | D | 91.8 | Very high | 91.2 | Very high | 59 Ų | 59 | 39.8 Ų | 39.8 | 32% | 0.316 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.1 | -40.7 | 175.5 | -74.8 | -36.1 | 0 | 0 | 0 | 111.8 | G2919 L2920 V2921 I2926 Q2927 K2960 K2964 | G2919-D2923 WeakPolarHBondContact O-CB 3.48Å; G2919-D2923 VanDerWaalsContact O-CG 3.29Å; G2919-D2923 PolarHBondContact O-N 3.01Å; G2919-D2923 VanDerWaalsContact O-OD2 3.05Å; L2920-D2923 PolarHBondContact O-N 3.2Å; V2921-D2923 VanDerWaalsContact C-N 3.3Å; V2921-D2923 PolarHBondContact O-N 3.12Å; D2923-I2926 PolarHBondContact O-N 2.98Å; D2923-Q2927 VanDerWaalsContact O-CB 3.32Å; D2923-Q2927 WeakPolarHBondContact O-CB 3.34Å; D2923-Q2927 PolarHBondContact O-N 3.2Å; D2923-K2960 WeakPolarHBondContact OD1-CE 3.44Å; D2923-K2960 IonicContact OD1-NZ 3.71Å; D2923-K2960 PolarHBondContact OD1-NZ 3Å; D2923-K2960 WeakPolarHBondContact OD2-CE 3.39Å; D2923-K2960 IonicContact OD2-NZ 2.94Å; D2923-K2960 PolarHBondContact OD2-NZ 2.99Å; D2923-K2964 IonicContact OD1-NZ 2.99Å; D2923-K2964 PolarHBondContact OD1-NZ 3.19Å |
| 2924 | N | 93.3 | Very high | 90.9 | Very high | 17 Ų | 17 | 37.9 Ų | 37.9 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.3 | -43.2 | 173 | -78.4 | -87.5 | 0 | 0 | 0 | 112.2 | N2883 I2886 I2890 L2920 V2921 I2926 Q2927 R2928 | N2883-N2924 PolarHBondContact OD1-ND2 3.11Å; I2886-N2924 HydrophobicContact CG2-CB 3.97Å; I2890-N2924 HydrophobicContact CD1-CB 3.94Å; L2920-N2924 PolarHBondContact O-N 3.15Å; L2920-N2924 VanDerWaalsContact O-N 3.11Å; L2920-N2924 PolarHBondContact O-ND2 3.02Å; V2921-N2924 PolarHBondContact O-N 3.26Å; N2924-I2926 VanDerWaalsContact C-N 3.33Å; N2924-I2926 PolarHBondContact O-N 3.03Å; N2924-Q2927 PolarHBondContact O-N 2.99Å; N2924-R2928 WeakPolarHBondContact O-CB 3.38Å; N2924-R2928 PolarHBondContact O-N 3.17Å |
| 2925 | F | 95 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.7 | -48 | 175.7 | -86.7 | 31.3 | 0 | 0 | 0 | 111.7 | I2890 W2908 V2921 L2922 R2928 S2929 M2942 T2945 L2949 Y2995 | I2890-F2925 HydrophobicContact CD1-CD1 3.69Å; I2890-F2925 HydrophobicContact CD1-CE1 3.99Å; I2890-F2925 HydrophobicContact CG1-CD1 3.95Å; I2890-F2925 HydrophobicContact CG1-CE1 3.76Å; W2908-F2925 HydrophobicContact CD2-CE1 4.41Å; W2908-F2925 AromaticContact CD2-CZ 3.88Å; W2908-F2925 HydrophobicContact CD2-CZ 3.88Å; W2908-F2925 AromaticContact CE2-CZ 3.95Å; W2908-F2925 AromaticContact CE3-CE1 3.96Å; W2908-F2925 HydrophobicContact CE3-CE1 4.04Å; W2908-F2925 AromaticContact CE3-CZ 3.73Å; W2908-F2925 HydrophobicContact CE3-CZ 3.73Å; W2908-F2925 AromaticContact CH2-CE1 3.58Å; W2908-F2925 HydrophobicContact CH2-CE1 3.58Å; W2908-F2925 AromaticContact CH2-CZ 3.71Å; W2908-F2925 HydrophobicContact CH2-CZ 4.02Å; W2908-F2925 AromaticContact CZ2-CE1 3.95Å; W2908-F2925 HydrophobicContact CZ2-CE1 3.97Å; W2908-F2925 AromaticContact CZ2-CZ 3.86Å; W2908-F2925 HydrophobicContact CZ2-CZ 4.12Å; W2908-F2925 AromaticContact CZ3-CE1 3.61Å; W2908-F2925 HydrophobicContact CZ3-CE1 3.61Å; W2908-F2925 AromaticContact CZ3-CZ 3.81Å; W2908-F2925 HydrophobicContact CZ3-CZ 3.81Å; V2921-F2925 HydrophobicContact CG1-CD1 3.92Å; V2921-F2925 HydrophobicContact CG1-CE1 3.61Å; V2921-F2925 HydrophobicContact CG1-CE2 4.41Å; V2921-F2925 HydrophobicContact CG1-CG 4.49Å; V2921-F2925 HydrophobicContact CG1-CZ 3.96Å; V2921-F2925 WeakPolarHBondContact O-CB 3.33Å; V2921-F2925 VanDerWaalsContact O-CD1 3.29Å; V2921-F2925 WeakPolarHBondContact O-CD1 3.34Å; V2921-F2925 PolarHBondContact O-N 3.05Å; L2922-F2925 PolarHBondContact O-N 2.78Å; F2925-R2928 PolarHBondContact O-N 3.32Å; F2925-S2929 WeakPolarHBondContact O-CB 3.43Å; F2925-S2929 PolarHBondContact O-N 3.09Å; F2925-S2929 VanDerWaalsContact O-N 3.08Å; F2925-S2929 PolarHBondContact O-OG 3.14Å; F2925-S2929 VanDerWaalsContact O-OG 3.05Å; F2925-M2942 HydrophobicContact CB-SD 4.47Å; F2925-M2942 HydrophobicContact CD1-SD 3.89Å; F2925-M2942 HydrophobicContact CD2-CB 4.39Å; F2925-M2942 WeakPolarHBondContact CD2-O 3.13Å; F2925-M2942 HydrophobicContact CD2-SD 4.34Å; F2925-M2942 HydrophobicContact CE1-SD 4.07Å; F2925-M2942 HydrophobicContact CE2-SD 4.4Å; F2925-M2942 HydrophobicContact CG-SD 4.02Å; F2925-M2942 HydrophobicContact CZ-SD 4.37Å; F2925-T2945 HydrophobicContact CE2-CG2 3.63Å; F2925-T2945 VanDerWaalsContact CE2-CG2 3.48Å; F2925-T2945 HydrophobicContact CZ-CG2 3.58Å; F2925-T2945 VanDerWaalsContact CZ-CG2 3.42Å; F2925-L2949 HydrophobicContact CD2-CD1 4.19Å; F2925-L2949 HydrophobicContact CE2-CD1 3.6Å; F2925-L2949 HydrophobicContact CE2-CG 4.47Å; F2925-L2949 HydrophobicContact CZ-CD1 3.97Å; F2925-Y2995 VanDerWaalsContact C-OH 3.26Å; F2925-Y2995 HydrophobicContact CB-CE1 4.37Å; F2925-Y2995 WeakPolarHBondContact CB-OH 3.28Å; F2925-Y2995 HydrophobicContact CD2-CE1 4.43Å; F2925-Y2995 PolarHBondContact O-OH 3.07Å; F2925-Y2995 VanDerWaalsContact O-OH 3.1Å |
| 2926 | I | 91.3 | Very high | 90.2 | Very high | 7.2 Ų | 7.2 | 37 Ų | 37 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.1 | -44.6 | 179.3 | -65.9 | 162 | 0 | 0 | 0 | 110 | L2922 D2923 N2924 R2928 S2929 V2930 K2964 L2992 Y2995 | L2922-I2926 WeakPolarHBondContact O-CB 3.37Å; L2922-I2926 VanDerWaalsContact O-CD1 3.26Å; L2922-I2926 WeakPolarHBondContact O-CD1 3.29Å; L2922-I2926 WeakPolarHBondContact O-CG1 3.36Å; L2922-I2926 PolarHBondContact O-N 3.29Å; L2922-I2926 VanDerWaalsContact O-N 3.12Å; D2923-I2926 PolarHBondContact O-N 2.98Å; N2924-I2926 VanDerWaalsContact C-N 3.33Å; N2924-I2926 PolarHBondContact O-N 3.03Å; I2926-R2928 VanDerWaalsContact C-N 3.34Å; I2926-R2928 PolarHBondContact O-N 3.07Å; I2926-S2929 PolarHBondContact O-N 3.23Å; I2926-V2930 HydrophobicContact CG2-CG2 4.28Å; I2926-V2930 WeakPolarHBondContact O-CB 3.11Å; I2926-V2930 VanDerWaalsContact O-CG2 3.27Å; I2926-V2930 WeakPolarHBondContact O-CG2 3.42Å; I2926-V2930 PolarHBondContact O-N 3.15Å; I2926-K2964 HydrophobicContact CD1-CD 3.77Å; I2926-L2992 HydrophobicContact CD1-CD2 3.69Å; I2926-L2992 HydrophobicContact CG1-CD2 3.84Å; I2926-L2992 HydrophobicContact CG2-CD2 4.35Å; I2926-Y2995 HydrophobicContact CG1-CE1 4.34Å |
| 2927 | Q | 92.5 | Very high | 90.1 | Very high | 129 Ų | 129 | 33.9 Ų | 33.9 | 60% | 0.603 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -59.2 | -43.7 | 177.2 | -177.8 | 174.3 | -11.8 | 0 | 0 | 112 | D2923 N2924 S2929 V2930 S2931 | D2923-Q2927 VanDerWaalsContact O-CB 3.32Å; D2923-Q2927 WeakPolarHBondContact O-CB 3.34Å; D2923-Q2927 PolarHBondContact O-N 3.2Å; N2924-Q2927 PolarHBondContact O-N 2.99Å; Q2927-S2929 VanDerWaalsContact C-N 3.33Å; Q2927-S2929 PolarHBondContact O-N 3.4Å; Q2927-V2930 PolarHBondContact O-N 3.13Å; Q2927-S2931 WeakPolarHBondContact O-CB 3.34Å; Q2927-S2931 PolarHBondContact O-N 3.04Å; Q2927-S2931 PolarHBondContact O-OG 3.09Å; Q2927-S2931 VanDerWaalsContact O-OG 3.07Å |
| 2928 | R | 92.1 | Very high | 90.1 | Very high | 69.2 Ų | 69.2 | 37 Ų | 37 | 26% | 0.261 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.4 | -45.5 | 175.1 | -177.6 | 60 | 62.5 | 173.6 | 3.6 | 111.6 | D2887 I2890 I2894 N2924 F2925 I2926 V2930 S2931 C2932 M2942 | D2887-R2928 IonicContact OD1-CZ 3.12Å; D2887-R2928 IonicContact OD1-NE 2.73Å; D2887-R2928 PolarHBondContact OD1-NE 3.12Å; D2887-R2928 IonicContact OD1-NH2 2.95Å; D2887-R2928 PolarHBondContact OD1-NH2 3.13Å; D2887-R2928 IonicContact OD2-CZ 2.61Å; D2887-R2928 IonicContact OD2-NH2 3.18Å; D2887-R2928 PolarHBondContact OD2-NH2 3.21Å; I2890-R2928 HydrophobicContact CG2-CB 4.37Å; I2890-R2928 HydrophobicContact CG2-CG 3.88Å; I2894-R2928 HydrophobicContact CD1-CG 4.44Å; N2924-R2928 WeakPolarHBondContact O-CB 3.38Å; N2924-R2928 PolarHBondContact O-N 3.17Å; F2925-R2928 PolarHBondContact O-N 3.32Å; I2926-R2928 VanDerWaalsContact C-N 3.34Å; I2926-R2928 PolarHBondContact O-N 3.07Å; R2928-V2930 VanDerWaalsContact C-N 3.34Å; R2928-V2930 PolarHBondContact O-N 2.95Å; R2928-S2931 WeakPolarHBondContact CA-OG 3.42Å; R2928-S2931 PolarHBondContact O-N 3.21Å; R2928-S2931 PolarHBondContact O-OG 2.94Å; R2928-C2932 PolarHBondContact O-N 3.23Å; R2928-C2932 VanDerWaalsContact O-N 3.09Å; R2928-C2932 PolarHBondContact O-SG 3.11Å; R2928-M2942 HydrophobicContact CB-CG 4.49Å; R2928-M2942 HydrophobicContact CG-CG 4.37Å |
| 2929 | S | 92.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.9 | -38.2 | 178.1 | -56.8 | 0 | 0 | 0 | 0 | 113 | F2925 I2926 Q2927 G2933 M2942 Y2995 | F2925-S2929 WeakPolarHBondContact O-CB 3.43Å; F2925-S2929 PolarHBondContact O-N 3.09Å; F2925-S2929 VanDerWaalsContact O-N 3.08Å; F2925-S2929 PolarHBondContact O-OG 3.14Å; F2925-S2929 VanDerWaalsContact O-OG 3.05Å; I2926-S2929 PolarHBondContact O-N 3.23Å; Q2927-S2929 VanDerWaalsContact C-N 3.33Å; Q2927-S2929 PolarHBondContact O-N 3.4Å; S2929-G2933 PolarHBondContact O-N 3.21Å; S2929-G2933 VanDerWaalsContact O-N 3.13Å; S2929-M2942 WeakPolarHBondContact OG-CB 3.32Å; S2929-Y2995 PolarHBondContact OG-OH 2.99Å |
| 2930 | V | 90.7 | Very high | 90.1 | Very high | 40.2 Ų | 40.2 | 36.4 Ų | 36.4 | 24% | 0.244 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70 | -43.4 | 176 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | I2926 Q2927 R2928 C2932 G2933 P2987 E2988 P2991 | I2926-V2930 HydrophobicContact CG2-CG2 4.28Å; I2926-V2930 WeakPolarHBondContact O-CB 3.11Å; I2926-V2930 VanDerWaalsContact O-CG2 3.27Å; I2926-V2930 WeakPolarHBondContact O-CG2 3.42Å; I2926-V2930 PolarHBondContact O-N 3.15Å; Q2927-V2930 PolarHBondContact O-N 3.13Å; R2928-V2930 VanDerWaalsContact C-N 3.34Å; R2928-V2930 PolarHBondContact O-N 2.95Å; V2930-C2932 VanDerWaalsContact C-N 3.29Å; V2930-C2932 PolarHBondContact O-N 3.08Å; V2930-G2933 PolarHBondContact O-N 3.16Å; V2930-G2933 VanDerWaalsContact O-N 3.11Å; V2930-P2987 HydrophobicContact CG1-CB 4.43Å; V2930-E2988 HydrophobicContact CG1-CG 4.16Å; V2930-E2988 HydrophobicContact CG2-CB 4.35Å; V2930-E2988 HydrophobicContact CG2-CG 4.15Å; V2930-P2991 HydrophobicContact CG2-CG 4.49Å |
| 2931 | S | 90.2 | Very high | 90.2 | Very high | 88.6 Ų | 88.6 | 35.5 Ų | 35.5 | 62% | 0.62 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -64.6 | -31 | -179.2 | -43.3 | 0 | 0 | 0 | 0 | 113.4 | Q2927 R2928 | Q2927-S2931 WeakPolarHBondContact O-CB 3.34Å; Q2927-S2931 PolarHBondContact O-N 3.04Å; Q2927-S2931 PolarHBondContact O-OG 3.09Å; Q2927-S2931 VanDerWaalsContact O-OG 3.07Å; R2928-S2931 WeakPolarHBondContact CA-OG 3.42Å; R2928-S2931 PolarHBondContact O-N 3.21Å; R2928-S2931 PolarHBondContact O-OG 2.94Å |
| 2932 | C | 87.3 | Confident | 90.1 | Very high | 49.2 Ų | 49.2 | 35.4 Ų | 35.4 | 33% | 0.332 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -90.2 | -14.6 | 176.4 | -62.3 | 0 | 0 | 0 | 0 | 113.6 | R2928 V2930 S2936 Q2938 | R2928-C2932 PolarHBondContact O-N 3.23Å; R2928-C2932 VanDerWaalsContact O-N 3.09Å; R2928-C2932 PolarHBondContact O-SG 3.11Å; V2930-C2932 VanDerWaalsContact C-N 3.29Å; V2930-C2932 PolarHBondContact O-N 3.08Å; C2932-S2936 VanDerWaalsContact CB-OG 3.26Å; C2932-S2936 WeakPolarHBondContact CB-OG 3.28Å; C2932-S2936 VanDerWaalsContact O-CB 3.26Å; C2932-S2936 WeakPolarHBondContact O-CB 3.4Å; C2932-S2936 PolarHBondContact O-OG 3.39Å; C2932-Q2938 HydrophobicContact CB-CB 4.02Å; C2932-Q2938 HydrophobicContact CB-CG 4.39Å |
| 2933 | G | 84.7 | Confident | 90.1 | Very high | 27.6 Ų | 27.6 | 35.3 Ų | 35.3 | 29% | 0.285 | 21% | 0.205 | S | C | . | . | trans | 83.6 | 162.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S2929 V2930 S2936 | S2929-G2933 PolarHBondContact O-N 3.21Å; S2929-G2933 VanDerWaalsContact O-N 3.13Å; V2930-G2933 PolarHBondContact O-N 3.16Å; V2930-G2933 VanDerWaalsContact O-N 3.11Å; G2933-S2936 WeakPolarHBondContact O-CB 3.42Å; G2933-S2936 PolarHBondContact O-N 3.01Å; G2933-S2936 PolarHBondContact O-OG 2.95Å | ||
| 2934 | L | 84.2 | Confident | 90.1 | Very high | 64.8 Ų | 64.8 | 34.7 Ų | 34.7 | 34% | 0.339 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 132 | 178.1 | -178 | 71 | 0 | 0 | 0 | 111 | S2936 A2990 P2991 R2994 P3026 L3029 | L2934-S2936 VanDerWaalsContact C-N 3.3Å; L2934-A2990 HydrophobicContact CD1-CB 4.09Å; L2934-A2990 HydrophobicContact CD2-CB 3.9Å; L2934-A2990 HydrophobicContact CG-CB 4.45Å; L2934-P2991 HydrophobicContact CD1-CG 4.47Å; L2934-R2994 HydrophobicContact CD1-CG 4Å; L2934-P3026 HydrophobicContact CD2-CG 4.04Å; L2934-L3029 HydrophobicContact CD1-CD1 4.35Å; L2934-L3029 HydrophobicContact CD2-CD1 4.15Å |
| 2935 | G | 79.5 | Confident | 90.2 | Very high | 33.2 Ų | 33.2 | 33.8 Ų | 33.8 | 34% | 0.342 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | H3092 | G2935-H3092 PolarHBondContact O-CE1 3.31Å; G2935-H3092 PolarHBondContact O-NE2 2.97Å |
| 2936 | S | 88.9 | Confident | 90.2 | Very high | 18.4 Ų | 18.4 | 33.8 Ų | 33.8 | 13% | 0.129 | 20% | 0.197 | C | C | . | . | trans | -71.6 | 144.8 | 166.4 | 63.6 | 0 | 0 | 0 | 0 | 111 | C2932 G2933 L2934 Q2938 A2939 E2940 | C2932-S2936 VanDerWaalsContact CB-OG 3.26Å; C2932-S2936 WeakPolarHBondContact CB-OG 3.28Å; C2932-S2936 VanDerWaalsContact O-CB 3.26Å; C2932-S2936 WeakPolarHBondContact O-CB 3.4Å; C2932-S2936 PolarHBondContact O-OG 3.39Å; G2933-S2936 WeakPolarHBondContact O-CB 3.42Å; G2933-S2936 PolarHBondContact O-N 3.01Å; G2933-S2936 PolarHBondContact O-OG 2.95Å; L2934-S2936 VanDerWaalsContact C-N 3.3Å; S2936-Q2938 PolarHBondContact O-N 3.25Å; S2936-A2939 PolarHBondContact O-N 2.87Å; S2936-A2939 VanDerWaalsContact O-N 3.08Å; S2936-A2939 VanDerWaalsContact OG-CB 3.27Å; S2936-A2939 WeakPolarHBondContact OG-CB 3.41Å; S2936-A2939 PolarHBondContact OG-N 2.9Å; S2936-E2940 PolarHBondContact O-N 3.03Å; S2936-E2940 VanDerWaalsContact O-N 3.12Å | ||
| 2937 | L | 87.7 | Confident | 90.3 | Very high | 55.4 Ų | 55.4 | 35.5 Ų | 35.5 | 29% | 0.29 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -56.7 | -35.6 | 176 | 178.6 | 61.3 | 0 | 0 | 0 | 111.2 | E2940 I2941 R3098 | L2937-E2940 PolarHBondContact O-N 3.31Å; L2937-I2941 HydrophobicContact CD1-CD1 3.94Å; L2937-I2941 HydrophobicContact CD1-CG1 4.15Å; L2937-I2941 HydrophobicContact CD2-CD1 4.4Å; L2937-I2941 HydrophobicContact CG-CD1 3.78Å; L2937-I2941 HydrophobicContact CG-CG1 4.38Å; L2937-I2941 WeakPolarHBondContact O-CB 3.36Å; L2937-I2941 VanDerWaalsContact O-CG1 3.27Å; L2937-I2941 WeakPolarHBondContact O-CG1 3.39Å; L2937-I2941 PolarHBondContact O-N 3.11Å; L2937-R3098 HydrophobicContact CD1-CG 4.41Å |
| 2938 | Q | 90.2 | Very high | 90.3 | Very high | 67 Ų | 67 | 30.3 Ų | 30.3 | 31% | 0.313 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.2 | -44.9 | 176.3 | -61.7 | 84.6 | -10.6 | 0 | 0 | 112 | I2894 C2932 S2936 E2940 I2941 M2942 | I2894-Q2938 HydrophobicContact CD1-CB 4.11Å; I2894-Q2938 HydrophobicContact CD1-CG 3.91Å; I2894-Q2938 HydrophobicContact CG1-CG 4.47Å; I2894-Q2938 HydrophobicContact CG2-CG 4.09Å; C2932-Q2938 HydrophobicContact CB-CB 4.02Å; C2932-Q2938 HydrophobicContact CB-CG 4.39Å; S2936-Q2938 PolarHBondContact O-N 3.25Å; Q2938-E2940 VanDerWaalsContact C-N 3.33Å; Q2938-E2940 PolarHBondContact O-N 3.09Å; Q2938-I2941 PolarHBondContact O-N 3.23Å; Q2938-M2942 WeakPolarHBondContact O-CB 3.35Å; Q2938-M2942 WeakPolarHBondContact O-CG 3.36Å; Q2938-M2942 PolarHBondContact O-N 3.23Å |
| 2939 | A | 90.4 | Very high | 90.4 | Very high | 5 Ų | 5 | 27 Ų | 27 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.2 | -37.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S2936 A2943 | S2936-A2939 PolarHBondContact O-N 2.87Å; S2936-A2939 VanDerWaalsContact O-N 3.08Å; S2936-A2939 VanDerWaalsContact OG-CB 3.27Å; S2936-A2939 WeakPolarHBondContact OG-CB 3.41Å; S2936-A2939 PolarHBondContact OG-N 2.9Å; A2939-A2943 WeakPolarHBondContact O-CB 3.41Å; A2939-A2943 PolarHBondContact O-N 3.09Å |
| 2940 | E | 90.4 | Very high | 90.4 | Very high | 5 Ų | 5 | 27 Ų | 27 | 2% | 0.023 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.7 | -46 | 175.6 | -67.7 | -63.9 | 138 | 0 | 0 | 112.2 | S2936 L2937 Q2938 M2942 A2943 D2944 R2994 M2998 F3093 | S2936-E2940 PolarHBondContact O-N 3.03Å; S2936-E2940 VanDerWaalsContact O-N 3.12Å; L2937-E2940 PolarHBondContact O-N 3.31Å; Q2938-E2940 VanDerWaalsContact C-N 3.33Å; Q2938-E2940 PolarHBondContact O-N 3.09Å; E2940-M2942 VanDerWaalsContact C-N 3.34Å; E2940-M2942 PolarHBondContact O-N 2.99Å; E2940-A2943 PolarHBondContact O-N 3.13Å; E2940-D2944 WeakPolarHBondContact O-CB 3.35Å; E2940-D2944 PolarHBondContact O-N 3.1Å; E2940-R2994 VanDerWaalsContact CD-NH2 3.32Å; E2940-R2994 IonicContact OE1-CZ 3.17Å; E2940-R2994 IonicContact OE1-NE 3.28Å; E2940-R2994 PolarHBondContact OE1-NE 3.05Å; E2940-R2994 IonicContact OE1-NH2 3.59Å; E2940-R2994 PolarHBondContact OE1-NH2 3.29Å; E2940-R2994 VanDerWaalsContact OE1-NH2 3.08Å; E2940-R2994 IonicContact OE2-CZ 3.24Å; E2940-R2994 IonicContact OE2-NE 3.16Å; E2940-R2994 IonicContact OE2-NH2 3.2Å; E2940-R2994 PolarHBondContact OE2-NH2 3.31Å; E2940-M2998 WeakPolarHBondContact OE2-CE 3.27Å; E2940-F3093 HydrophobicContact CB-CE2 4.27Å |
| 2941 | I | 92.6 | Very high | 90.4 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.9 | -41.2 | 176.2 | -71.6 | 172.7 | 0 | 0 | 0 | 111.1 | T2893 I2894 Y2900 L2937 Q2938 D2944 T2945 | T2893-I2941 HydrophobicContact CG2-CG2 4.32Å; I2894-I2941 HydrophobicContact CG1-CG2 4.11Å; Y2900-I2941 HydrophobicContact CE2-CG2 3.75Å; Y2900-I2941 PolarHBondContact OH-O 3.14Å; L2937-I2941 HydrophobicContact CD1-CD1 3.94Å; L2937-I2941 HydrophobicContact CD1-CG1 4.15Å; L2937-I2941 HydrophobicContact CD2-CD1 4.4Å; L2937-I2941 HydrophobicContact CG-CD1 3.78Å; L2937-I2941 HydrophobicContact CG-CG1 4.38Å; L2937-I2941 WeakPolarHBondContact O-CB 3.36Å; L2937-I2941 VanDerWaalsContact O-CG1 3.27Å; L2937-I2941 WeakPolarHBondContact O-CG1 3.39Å; L2937-I2941 PolarHBondContact O-N 3.11Å; Q2938-I2941 PolarHBondContact O-N 3.23Å; I2941-D2944 PolarHBondContact O-N 3.19Å; I2941-T2945 VanDerWaalsContact O-CB 3.26Å; I2941-T2945 WeakPolarHBondContact O-CB 3.3Å; I2941-T2945 PolarHBondContact O-N 3.06Å; I2941-T2945 PolarHBondContact O-OG1 3.23Å |
| 2942 | M | 94 | Very high | 90.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.2 | -33.9 | 177.8 | -67.5 | -67 | 99.2 | 0 | 0 | 112.8 | I2890 T2893 I2894 F2925 R2928 S2929 Q2938 E2940 S2946 Y2995 | I2890-M2942 HydrophobicContact CB-CE 4.47Å; I2890-M2942 HydrophobicContact CB-SD 4.3Å; I2890-M2942 HydrophobicContact CD1-SD 4.37Å; I2890-M2942 HydrophobicContact CG1-CE 4.44Å; I2890-M2942 HydrophobicContact CG1-SD 3.92Å; I2890-M2942 HydrophobicContact CG2-CE 3.96Å; I2890-M2942 HydrophobicContact CG2-SD 3.62Å; I2890-M2942 VanDerWaalsContact CG2-SD 3.53Å; T2893-M2942 HydrophobicContact CG2-CE 4.29Å; I2894-M2942 HydrophobicContact CD1-CE 4.36Å; I2894-M2942 HydrophobicContact CG1-CE 4.21Å; F2925-M2942 HydrophobicContact CB-SD 4.47Å; F2925-M2942 HydrophobicContact CD1-SD 3.89Å; F2925-M2942 HydrophobicContact CD2-CB 4.39Å; F2925-M2942 WeakPolarHBondContact CD2-O 3.13Å; F2925-M2942 HydrophobicContact CD2-SD 4.34Å; F2925-M2942 HydrophobicContact CE1-SD 4.07Å; F2925-M2942 HydrophobicContact CE2-SD 4.4Å; F2925-M2942 HydrophobicContact CG-SD 4.02Å; F2925-M2942 HydrophobicContact CZ-SD 4.37Å; R2928-M2942 HydrophobicContact CB-CG 4.49Å; R2928-M2942 HydrophobicContact CG-CG 4.37Å; S2929-M2942 WeakPolarHBondContact OG-CB 3.32Å; Q2938-M2942 WeakPolarHBondContact O-CB 3.35Å; Q2938-M2942 WeakPolarHBondContact O-CG 3.36Å; Q2938-M2942 PolarHBondContact O-N 3.23Å; E2940-M2942 VanDerWaalsContact C-N 3.34Å; E2940-M2942 PolarHBondContact O-N 2.99Å; M2942-S2946 PolarHBondContact O-N 3.08Å; M2942-S2946 VanDerWaalsContact O-N 3.11Å; M2942-Y2995 VanDerWaalsContact CB-OH 3.26Å; M2942-Y2995 WeakPolarHBondContact CB-OH 3.38Å; M2942-Y2995 WeakPolarHBondContact O-CE1 3.32Å; M2942-Y2995 PolarHBondContact O-OH 3.23Å |
| 2943 | A | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.1 | -45.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A2939 E2940 S2946 R2994 Y2995 M2998 | A2939-A2943 WeakPolarHBondContact O-CB 3.41Å; A2939-A2943 PolarHBondContact O-N 3.09Å; E2940-A2943 PolarHBondContact O-N 3.13Å; A2943-S2946 WeakPolarHBondContact O-CB 3.45Å; A2943-S2946 PolarHBondContact O-N 3.31Å; A2943-S2946 PolarHBondContact O-OG 3.41Å; A2943-R2994 HydrophobicContact CB-CB 4.33Å; A2943-Y2995 HydrophobicContact CB-CD2 3.61Å; A2943-Y2995 VanDerWaalsContact CB-CD2 3.49Å; A2943-Y2995 HydrophobicContact CB-CE2 3.79Å; A2943-Y2995 HydrophobicContact CB-CG 4.19Å; A2943-M2998 HydrophobicContact CB-CE 4.32Å; A2943-M2998 HydrophobicContact CB-CG 3.79Å; A2943-M2998 WeakPolarHBondContact O-CB 3.38Å |
| 2944 | D | 93 | Very high | 90.7 | Very high | 45 Ų | 45 | 29.6 Ų | 29.6 | 24% | 0.241 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.3 | -47 | 176.7 | -179 | 47.8 | 0 | 0 | 0 | 111.7 | Y2900 Q2904 E2940 I2941 S2946 V2947 F3093 | Y2900-D2944 VanDerWaalsContact CE1-OD2 3.29Å; Y2900-D2944 WeakPolarHBondContact CE1-OD2 3.41Å; Y2900-D2944 PolarHBondContact OH-OD2 3.16Å; Q2904-D2944 PolarHBondContact NE2-OD2 2.98Å; Q2904-D2944 VanDerWaalsContact NE2-OD2 3.09Å; E2940-D2944 WeakPolarHBondContact O-CB 3.35Å; E2940-D2944 PolarHBondContact O-N 3.1Å; I2941-D2944 PolarHBondContact O-N 3.19Å; D2944-S2946 PolarHBondContact O-N 3.06Å; D2944-S2946 VanDerWaalsContact O-N 3.09Å; D2944-V2947 VanDerWaalsContact O-CB 3.26Å; D2944-V2947 WeakPolarHBondContact O-CB 3.35Å; D2944-V2947 WeakPolarHBondContact O-CG2 3.35Å; D2944-V2947 PolarHBondContact O-N 3.1Å; D2944-F3093 HydrophobicContact CB-CZ 4.24Å |
| 2945 | T | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.1 | -27 | 175.9 | -58.2 | 0 | 0 | 0 | 0 | 112.7 | T2893 Y2900 Q2904 W2908 F2925 I2941 V2947 A2948 L2949 | T2893-T2945 HydrophobicContact CG2-CG2 4.42Å; Y2900-T2945 PolarHBondContact OH-OG1 3.15Å; Y2900-T2945 VanDerWaalsContact OH-OG1 3.08Å; Q2904-T2945 HydrophobicContact CG-CG2 4.42Å; Q2904-T2945 PolarHBondContact NE2-OG1 3.19Å; W2908-T2945 HydrophobicContact CB-CG2 4.17Å; W2908-T2945 VanDerWaalsContact CD1-CG2 3.42Å; W2908-T2945 HydrophobicContact CD2-CG2 4.01Å; W2908-T2945 HydrophobicContact CG-CG2 3.58Å; W2908-T2945 VanDerWaalsContact CG-CG2 3.49Å; F2925-T2945 HydrophobicContact CE2-CG2 3.63Å; F2925-T2945 VanDerWaalsContact CE2-CG2 3.48Å; F2925-T2945 HydrophobicContact CZ-CG2 3.58Å; F2925-T2945 VanDerWaalsContact CZ-CG2 3.42Å; I2941-T2945 VanDerWaalsContact O-CB 3.26Å; I2941-T2945 WeakPolarHBondContact O-CB 3.3Å; I2941-T2945 PolarHBondContact O-N 3.06Å; I2941-T2945 PolarHBondContact O-OG1 3.23Å; T2945-V2947 PolarHBondContact O-N 3.33Å; T2945-A2948 WeakPolarHBondContact O-CB 3.36Å; T2945-A2948 PolarHBondContact O-N 3.14Å; T2945-A2948 VanDerWaalsContact O-N 3.1Å; T2945-L2949 PolarHBondContact O-N 3.1Å |
| 2946 | S | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.7 | -23.1 | 175.1 | 83.6 | 0 | 0 | 0 | 0 | 113.5 | M2942 A2943 D2944 L2949 A2950 | M2942-S2946 PolarHBondContact O-N 3.08Å; M2942-S2946 VanDerWaalsContact O-N 3.11Å; A2943-S2946 WeakPolarHBondContact O-CB 3.45Å; A2943-S2946 PolarHBondContact O-N 3.31Å; A2943-S2946 PolarHBondContact O-OG 3.41Å; D2944-S2946 PolarHBondContact O-N 3.06Å; D2944-S2946 VanDerWaalsContact O-N 3.09Å; S2946-L2949 WeakPolarHBondContact O-CB 3.29Å; S2946-L2949 PolarHBondContact O-N 3.09Å; S2946-A2950 WeakPolarHBondContact O-CB 3.44Å; S2946-A2950 PolarHBondContact O-N 3.2Å |
| 2947 | V | 94.2 | Very high | 91.8 | Very high | 41.4 Ų | 41.4 | 32.9 Ų | 32.9 | 25% | 0.251 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -67 | -38.5 | 174.6 | -176.3 | 0 | 0 | 0 | 0 | 111.2 | D2944 T2945 L2949 A2950 A2951 M2998 L2999 | D2944-V2947 VanDerWaalsContact O-CB 3.26Å; D2944-V2947 WeakPolarHBondContact O-CB 3.35Å; D2944-V2947 WeakPolarHBondContact O-CG2 3.35Å; D2944-V2947 PolarHBondContact O-N 3.1Å; T2945-V2947 PolarHBondContact O-N 3.33Å; V2947-L2949 VanDerWaalsContact C-N 3.31Å; V2947-L2949 PolarHBondContact O-N 3.11Å; V2947-A2950 PolarHBondContact O-N 3.09Å; V2947-A2950 VanDerWaalsContact O-N 3.17Å; V2947-A2951 WeakPolarHBondContact O-CB 3.38Å; V2947-A2951 PolarHBondContact O-N 3.22Å; V2947-A2951 VanDerWaalsContact O-N 3.13Å; V2947-M2998 HydrophobicContact CG2-CB 3.71Å; V2947-M2998 WeakPolarHBondContact CG2-O 3.42Å; V2947-L2999 HydrophobicContact CG2-CD2 4.44Å |
| 2948 | A | 93.3 | Very high | 92 | Very high | 20.2 Ų | 20.2 | 30.2 Ų | 30.2 | 17% | 0.167 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.8 | -36.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q2904 W2908 T2945 A2950 A2951 | Q2904-A2948 HydrophobicContact CB-CB 4.26Å; Q2904-A2948 HydrophobicContact CG-CB 4.49Å; Q2904-A2948 VanDerWaalsContact OE1-CB 3.23Å; W2908-A2948 HydrophobicContact CB-CB 4.27Å; T2945-A2948 WeakPolarHBondContact O-CB 3.36Å; T2945-A2948 PolarHBondContact O-N 3.14Å; T2945-A2948 VanDerWaalsContact O-N 3.1Å; A2948-A2950 VanDerWaalsContact C-N 3.34Å; A2948-A2951 WeakPolarHBondContact O-CB 3.38Å; A2948-A2951 PolarHBondContact O-N 3.27Å |
| 2949 | L | 93.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.8 | -42.5 | 172.4 | -63.4 | 171.8 | 0 | 0 | 0 | 111.7 | W2908 L2911 L2918 V2921 L2922 F2925 T2945 S2946 V2947 A2951 V2952 N2953 V2957 | W2908-L2949 HydrophobicContact CB-CD2 4.34Å; W2908-L2949 HydrophobicContact CE3-CD2 4.33Å; W2908-L2949 WeakPolarHBondContact O-CD2 3.31Å; L2911-L2949 HydrophobicContact CB-CD2 4.4Å; L2918-L2949 HydrophobicContact CD2-CB 4.26Å; L2918-L2949 HydrophobicContact CD2-CD2 4.15Å; V2921-L2949 HydrophobicContact CG1-CD1 3.77Å; V2921-L2949 HydrophobicContact CG1-CD2 4.39Å; L2922-L2949 HydrophobicContact CD2-CD1 4.03Å; L2922-L2949 HydrophobicContact CG-CD1 4.47Å; F2925-L2949 HydrophobicContact CD2-CD1 4.19Å; F2925-L2949 HydrophobicContact CE2-CD1 3.6Å; F2925-L2949 HydrophobicContact CE2-CG 4.47Å; F2925-L2949 HydrophobicContact CZ-CD1 3.97Å; T2945-L2949 PolarHBondContact O-N 3.1Å; S2946-L2949 WeakPolarHBondContact O-CB 3.29Å; S2946-L2949 PolarHBondContact O-N 3.09Å; V2947-L2949 VanDerWaalsContact C-N 3.31Å; V2947-L2949 PolarHBondContact O-N 3.11Å; L2949-A2951 VanDerWaalsContact C-N 3.34Å; L2949-V2952 PolarHBondContact O-N 3.08Å; L2949-N2953 PolarHBondContact O-N 3.06Å; L2949-N2953 VanDerWaalsContact O-N 3.09Å; L2949-V2957 HydrophobicContact CB-CG2 4.05Å |
| 2950 | A | 91.9 | Very high | 92.2 | Very high | 0.6 Ų | 0.6 | 35.3 Ų | 35.3 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -74 | -27.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S2946 V2947 A2948 V2952 N2953 K2954 V2957 L2999 C3004 | S2946-A2950 WeakPolarHBondContact O-CB 3.44Å; S2946-A2950 PolarHBondContact O-N 3.2Å; V2947-A2950 PolarHBondContact O-N 3.09Å; V2947-A2950 VanDerWaalsContact O-N 3.17Å; A2948-A2950 VanDerWaalsContact C-N 3.34Å; A2950-V2952 VanDerWaalsContact C-N 3.29Å; A2950-V2952 PolarHBondContact O-N 3.07Å; A2950-V2952 VanDerWaalsContact O-N 3.14Å; A2950-N2953 CarbonylContact O-C 3.46Å; A2950-N2953 PolarHBondContact O-N 3.23Å; A2950-K2954 VanDerWaalsContact O-CA 3.23Å; A2950-K2954 WeakPolarHBondContact O-CA 3.38Å; A2950-K2954 VanDerWaalsContact O-CB 3.3Å; A2950-K2954 WeakPolarHBondContact O-CB 3.36Å; A2950-K2954 PolarHBondContact O-N 3.06Å; A2950-K2954 VanDerWaalsContact O-N 3.14Å; A2950-V2957 HydrophobicContact CB-CB 4.13Å; A2950-V2957 HydrophobicContact CB-CG1 3.97Å; A2950-V2957 HydrophobicContact CB-CG2 4.43Å; A2950-L2999 HydrophobicContact CB-CD2 3.42Å; A2950-L2999 VanDerWaalsContact CB-CD2 3.41Å; A2950-C3004 HydrophobicContact CB-CB 4.03Å |
| 2951 | A | 90.3 | Very high | 92.4 | Very high | 76.8 Ų | 76.8 | 35.1 Ų | 35.1 | 64% | 0.635 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -56.7 | -33 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V2947 A2948 L2949 | V2947-A2951 WeakPolarHBondContact O-CB 3.38Å; V2947-A2951 PolarHBondContact O-N 3.22Å; V2947-A2951 VanDerWaalsContact O-N 3.13Å; A2948-A2951 WeakPolarHBondContact O-CB 3.38Å; A2948-A2951 PolarHBondContact O-N 3.27Å; L2949-A2951 VanDerWaalsContact C-N 3.34Å |
| 2952 | V | 88.6 | Confident | 92.4 | Very high | 72.8 Ų | 72.8 | 34.8 Ų | 34.8 | 44% | 0.441 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -92.5 | -43.2 | 177.2 | -178.4 | 0 | 0 | 0 | 0 | 112.1 | G2912 Q2913 L2949 A2950 | G2912-V2952 VanDerWaalsContact C-CG1 3.47Å; Q2913-V2952 HydrophobicContact CB-CG1 4.32Å; Q2913-V2952 HydrophobicContact CG-CB 4.29Å; Q2913-V2952 HydrophobicContact CG-CG1 3.74Å; Q2913-V2952 HydrophobicContact CG-CG2 3.88Å; L2949-V2952 PolarHBondContact O-N 3.08Å; A2950-V2952 VanDerWaalsContact C-N 3.29Å; A2950-V2952 PolarHBondContact O-N 3.07Å; A2950-V2952 VanDerWaalsContact O-N 3.14Å |
| 2953 | N | 90.8 | Very high | 92.4 | Very high | 35.6 Ų | 35.6 | 36.8 Ų | 36.8 | 19% | 0.19 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -132.2 | 59.2 | -174.2 | -147.2 | -33.8 | 0 | 0 | 0 | 113.2 | G2912 Q2913 L2918 L2949 A2950 Q2955 L2956 V2957 | G2912-N2953 WeakPolarHBondContact O-CB 3.22Å; G2912-N2953 PolarHBondContact O-ND2 2.95Å; Q2913-N2953 PolarHBondContact O-ND2 3.11Å; L2918-N2953 HydrophobicContact CD1-CB 3.74Å; L2949-N2953 PolarHBondContact O-N 3.06Å; L2949-N2953 VanDerWaalsContact O-N 3.09Å; A2950-N2953 CarbonylContact O-C 3.46Å; A2950-N2953 PolarHBondContact O-N 3.23Å; N2953-Q2955 VanDerWaalsContact C-N 3.28Å; N2953-Q2955 PolarHBondContact O-N 3.14Å; N2953-Q2955 VanDerWaalsContact O-N 3.16Å; N2953-L2956 PolarHBondContact O-N 3.1Å; N2953-L2956 WeakPolarHBondContact OD1-CB 3.3Å; N2953-L2956 WeakPolarHBondContact OD1-CG 3.39Å; N2953-L2956 PolarHBondContact OD1-N 3.07Å; N2953-V2957 WeakPolarHBondContact O-CG2 3.33Å; N2953-V2957 PolarHBondContact O-N 2.84Å; N2953-V2957 VanDerWaalsContact O-N 3.16Å |
| 2954 | K | 90.8 | Very high | 92.4 | Very high | 74.2 Ų | 74.2 | 38.8 Ų | 38.8 | 32% | 0.323 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -52 | -41.1 | -177.1 | 60.3 | 176.6 | -173.8 | 172.8 | 0 | 114 | A2950 L2956 V2957 S2958 N3003 C3004 D3006 | A2950-K2954 VanDerWaalsContact O-CA 3.23Å; A2950-K2954 WeakPolarHBondContact O-CA 3.38Å; A2950-K2954 VanDerWaalsContact O-CB 3.3Å; A2950-K2954 WeakPolarHBondContact O-CB 3.36Å; A2950-K2954 PolarHBondContact O-N 3.06Å; A2950-K2954 VanDerWaalsContact O-N 3.14Å; K2954-L2956 PolarHBondContact O-N 2.85Å; K2954-V2957 PolarHBondContact O-N 3.11Å; K2954-S2958 VanDerWaalsContact O-CB 3.25Å; K2954-S2958 WeakPolarHBondContact O-CB 3.34Å; K2954-S2958 PolarHBondContact O-N 3.05Å; K2954-S2958 PolarHBondContact O-OG 3.04Å; K2954-N3003 VanDerWaalsContact CD-O 3.28Å; K2954-N3003 WeakPolarHBondContact CD-O 3.34Å; K2954-N3003 PolarHBondContact NZ-O 3.03Å; K2954-C3004 WeakPolarHBondContact CB-O 3.34Å; K2954-D3006 HydrophobicContact CD-CB 4.39Å; K2954-D3006 WeakPolarHBondContact CE-OD1 3.41Å; K2954-D3006 IonicContact NZ-OD1 2.65Å; K2954-D3006 PolarHBondContact NZ-OD1 2.92Å |
| 2955 | Q | 90.3 | Very high | 92.4 | Very high | 114.8 Ų | 114.8 | 36.7 Ų | 36.7 | 54% | 0.536 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.6 | -38.7 | -174.9 | -104.6 | -168.2 | -15.6 | 0 | 0 | 113.2 | N2953 S2958 K2959 D3006 | N2953-Q2955 VanDerWaalsContact C-N 3.28Å; N2953-Q2955 PolarHBondContact O-N 3.14Å; N2953-Q2955 VanDerWaalsContact O-N 3.16Å; Q2955-S2958 PolarHBondContact O-OG 2.63Å; Q2955-K2959 WeakPolarHBondContact O-CB 3.32Å; Q2955-K2959 PolarHBondContact O-N 3.11Å; Q2955-K2959 VanDerWaalsContact O-N 3.09Å; Q2955-D3006 HydrophobicContact CG-CB 4.42Å; Q2955-D3006 WeakPolarHBondContact CG-OD2 3.31Å; Q2955-D3006 PolarHBondContact NE2-OD2 2.71Å |
| 2956 | L | 91.3 | Very high | 92.3 | Very high | 70.4 Ų | 70.4 | 37.7 Ų | 37.7 | 37% | 0.369 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -79.6 | -38.2 | 178.2 | -66.8 | -177.5 | 0 | 0 | 0 | 111.9 | P2915 L2918 N2953 K2954 K2960 | P2915-L2956 HydrophobicContact CB-CD1 3.54Å; P2915-L2956 VanDerWaalsContact CB-CD1 3.44Å; P2915-L2956 HydrophobicContact CG-CD1 4.37Å; L2918-L2956 HydrophobicContact CD1-CB 4.01Å; L2918-L2956 HydrophobicContact CD1-CD1 4.25Å; N2953-L2956 PolarHBondContact O-N 3.1Å; N2953-L2956 WeakPolarHBondContact OD1-CB 3.3Å; N2953-L2956 WeakPolarHBondContact OD1-CG 3.39Å; N2953-L2956 PolarHBondContact OD1-N 3.07Å; K2954-L2956 PolarHBondContact O-N 2.85Å; L2956-K2960 WeakPolarHBondContact O-CB 3.3Å; L2956-K2960 WeakPolarHBondContact O-CG 3.45Å; L2956-K2960 PolarHBondContact O-N 3.21Å; L2956-K2960 VanDerWaalsContact O-N 3.08Å |
| 2957 | V | 93.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -51.3 | 178.3 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | L2918 L2922 L2949 A2950 N2953 K2954 K2959 K2960 V2961 L2999 | L2918-V2957 HydrophobicContact CD1-CG2 4.32Å; L2918-V2957 HydrophobicContact CD2-CG2 4.19Å; L2922-V2957 HydrophobicContact CD1-CB 4.36Å; L2922-V2957 HydrophobicContact CD1-CG1 4.1Å; L2922-V2957 HydrophobicContact CD1-CG2 4.28Å; L2922-V2957 HydrophobicContact CD2-CG1 4.23Å; L2949-V2957 HydrophobicContact CB-CG2 4.05Å; A2950-V2957 HydrophobicContact CB-CB 4.13Å; A2950-V2957 HydrophobicContact CB-CG1 3.97Å; A2950-V2957 HydrophobicContact CB-CG2 4.43Å; N2953-V2957 WeakPolarHBondContact O-CG2 3.33Å; N2953-V2957 PolarHBondContact O-N 2.84Å; N2953-V2957 VanDerWaalsContact O-N 3.16Å; K2954-V2957 PolarHBondContact O-N 3.11Å; V2957-K2959 PolarHBondContact O-N 3.1Å; V2957-K2960 PolarHBondContact O-N 3.15Å; V2957-V2961 HydrophobicContact CG1-CG2 4.42Å; V2957-V2961 WeakPolarHBondContact O-CG2 3.4Å; V2957-V2961 PolarHBondContact O-N 3.02Å; V2957-L2999 HydrophobicContact CG1-CD1 4.2Å; V2957-L2999 HydrophobicContact CG1-CD2 4.31Å |
| 2958 | S | 92.9 | Very high | 92 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.7 | -47.3 | 179.5 | 72.9 | 0 | 0 | 0 | 0 | 111.8 | K2954 Q2955 K2960 V2961 L2962 L3005 H3010 | K2954-S2958 VanDerWaalsContact O-CB 3.25Å; K2954-S2958 WeakPolarHBondContact O-CB 3.34Å; K2954-S2958 PolarHBondContact O-N 3.05Å; K2954-S2958 PolarHBondContact O-OG 3.04Å; Q2955-S2958 PolarHBondContact O-OG 2.63Å; S2958-K2960 VanDerWaalsContact C-N 3.3Å; S2958-K2960 PolarHBondContact O-N 3.12Å; S2958-V2961 PolarHBondContact O-N 3.07Å; S2958-L2962 VanDerWaalsContact O-CB 3.26Å; S2958-L2962 WeakPolarHBondContact O-CB 3.31Å; S2958-L2962 WeakPolarHBondContact O-CD1 3.43Å; S2958-L2962 VanDerWaalsContact O-CG 3.28Å; S2958-L2962 WeakPolarHBondContact O-CG 3.38Å; S2958-L2962 PolarHBondContact O-N 2.97Å; S2958-L3005 VanDerWaalsContact CB-C 3.5Å; S2958-L3005 VanDerWaalsContact CB-O 3.22Å; S2958-L3005 WeakPolarHBondContact CB-O 3.4Å; S2958-L3005 PolarHBondContact OG-O 2.95Å; S2958-L3005 VanDerWaalsContact OG-O 3.06Å; S2958-H3010 PolarHBondContact OG-CD2 2.99Å |
| 2959 | K | 92.9 | Very high | 92 | Very high | 109.8 Ų | 109.8 | 43.5 Ų | 43.5 | 48% | 0.477 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -57.8 | -41.5 | 176.8 | -177.5 | 177.8 | 178.5 | 179.5 | 0 | 111.9 | Q2955 V2957 S2963 H3010 | Q2955-K2959 WeakPolarHBondContact O-CB 3.32Å; Q2955-K2959 PolarHBondContact O-N 3.11Å; Q2955-K2959 VanDerWaalsContact O-N 3.09Å; V2957-K2959 PolarHBondContact O-N 3.1Å; K2959-S2963 WeakPolarHBondContact O-CB 3.35Å; K2959-S2963 PolarHBondContact O-N 3.28Å; K2959-S2963 PolarHBondContact O-OG 3.16Å; K2959-H3010 WeakPolarHBondContact CA-NE2 3.38Å |
| 2960 | K | 91.7 | Very high | 91.9 | Very high | 69 Ų | 69 | 47.3 Ų | 47.3 | 30% | 0.3 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -70.9 | -48.3 | 179.6 | -159.9 | 155.5 | 177.7 | -165.3 | 0 | 112.1 | G2919 L2922 D2923 L2956 V2957 S2958 L2962 S2963 K2964 | G2919-K2960 VanDerWaalsContact C-NZ 3.34Å; G2919-K2960 WeakPolarHBondContact O-CE 3.41Å; G2919-K2960 PolarHBondContact O-NZ 3.07Å; L2922-K2960 HydrophobicContact CB-CD 4.45Å; L2922-K2960 HydrophobicContact CB-CG 4.22Å; L2922-K2960 HydrophobicContact CD1-CB 4.09Å; L2922-K2960 HydrophobicContact CD1-CD 4.24Å; L2922-K2960 HydrophobicContact CD1-CG 4.21Å; D2923-K2960 WeakPolarHBondContact OD1-CE 3.44Å; D2923-K2960 IonicContact OD1-NZ 3.71Å; D2923-K2960 PolarHBondContact OD1-NZ 3Å; D2923-K2960 WeakPolarHBondContact OD2-CE 3.39Å; D2923-K2960 IonicContact OD2-NZ 2.94Å; D2923-K2960 PolarHBondContact OD2-NZ 2.99Å; L2956-K2960 WeakPolarHBondContact O-CB 3.3Å; L2956-K2960 WeakPolarHBondContact O-CG 3.45Å; L2956-K2960 PolarHBondContact O-N 3.21Å; L2956-K2960 VanDerWaalsContact O-N 3.08Å; V2957-K2960 PolarHBondContact O-N 3.15Å; S2958-K2960 VanDerWaalsContact C-N 3.3Å; S2958-K2960 PolarHBondContact O-N 3.12Å; K2960-L2962 PolarHBondContact O-N 3.12Å; K2960-S2963 PolarHBondContact O-N 3.17Å; K2960-K2964 VanDerWaalsContact O-CB 3.32Å; K2960-K2964 WeakPolarHBondContact O-CB 3.37Å; K2960-K2964 PolarHBondContact O-N 3.12Å |
| 2961 | V | 93.6 | Very high | 91.9 | Very high | 0.6 Ų | 0.6 | 52.4 Ų | 52.4 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.7 | -50.8 | 178.3 | 172 | 0 | 0 | 0 | 0 | 110.5 | V2957 S2958 S2963 K2964 L2965 L2992 L2996 L2999 | V2957-V2961 HydrophobicContact CG1-CG2 4.42Å; V2957-V2961 WeakPolarHBondContact O-CG2 3.4Å; V2957-V2961 PolarHBondContact O-N 3.02Å; S2958-V2961 PolarHBondContact O-N 3.07Å; V2961-S2963 PolarHBondContact O-N 3.3Å; V2961-K2964 PolarHBondContact O-N 3.03Å; V2961-L2965 WeakPolarHBondContact O-CB 3.34Å; V2961-L2965 PolarHBondContact O-N 3.13Å; V2961-L2992 HydrophobicContact CG1-CD2 4.36Å; V2961-L2996 HydrophobicContact CG1-CD2 4.02Å; V2961-L2999 HydrophobicContact CB-CD1 4.35Å; V2961-L2999 HydrophobicContact CG1-CD1 4.31Å; V2961-L2999 HydrophobicContact CG2-CD1 4.02Å |
| 2962 | L | 93.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 179.4 | -71.6 | 166.4 | 0 | 0 | 0 | 112.6 | S2958 K2960 K2964 L2965 C2966 L2996 L3005 H3010 L3014 I3017 | S2958-L2962 VanDerWaalsContact O-CB 3.26Å; S2958-L2962 WeakPolarHBondContact O-CB 3.31Å; S2958-L2962 WeakPolarHBondContact O-CD1 3.43Å; S2958-L2962 VanDerWaalsContact O-CG 3.28Å; S2958-L2962 WeakPolarHBondContact O-CG 3.38Å; S2958-L2962 PolarHBondContact O-N 2.97Å; K2960-L2962 PolarHBondContact O-N 3.12Å; L2962-K2964 VanDerWaalsContact C-N 3.31Å; L2962-K2964 PolarHBondContact O-N 3.01Å; L2962-L2965 PolarHBondContact O-N 3.01Å; L2962-C2966 VanDerWaalsContact O-CB 3.32Å; L2962-C2966 WeakPolarHBondContact O-CB 3.38Å; L2962-C2966 PolarHBondContact O-N 3.18Å; L2962-C2966 PolarHBondContact O-SG 3.16Å; L2962-L2996 HydrophobicContact CD2-CD1 3.98Å; L2962-L2996 HydrophobicContact CD2-CD2 3.63Å; L2962-L2996 HydrophobicContact CG-CD2 4.15Å; L2962-L3005 HydrophobicContact CD1-CD2 4.4Å; L2962-H3010 HydrophobicContact CD1-CB 3.8Å; L2962-H3010 WeakPolarHBondContact CD1-CD2 3.41Å; L2962-L3014 HydrophobicContact CD1-CD2 4.23Å; L2962-L3014 HydrophobicContact CD2-CD2 3.75Å; L2962-I3017 HydrophobicContact CD2-CD1 3.62Å |
| 2963 | S | 92.7 | Very high | 91.9 | Very high | 42.4 Ų | 42.4 | 47.2 Ų | 47.2 | 30% | 0.297 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68 | -33 | 179.1 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | K2959 K2960 V2961 R2967 | K2959-S2963 WeakPolarHBondContact O-CB 3.35Å; K2959-S2963 PolarHBondContact O-N 3.28Å; K2959-S2963 PolarHBondContact O-OG 3.16Å; K2960-S2963 PolarHBondContact O-N 3.17Å; V2961-S2963 PolarHBondContact O-N 3.3Å; S2963-R2967 VanDerWaalsContact O-CB 3.27Å; S2963-R2967 WeakPolarHBondContact O-CB 3.37Å; S2963-R2967 WeakPolarHBondContact O-CG 3.38Å; S2963-R2967 PolarHBondContact O-N 3.22Å; S2963-R2967 VanDerWaalsContact O-N 3.08Å |
| 2964 | K | 92 | Very high | 91.8 | Very high | 41.2 Ų | 41.2 | 50.4 Ų | 50.4 | 18% | 0.179 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.4 | -43.7 | 175.4 | -167.6 | 163 | 173.4 | -176.7 | 0 | 111.2 | D2923 I2926 K2960 V2961 L2962 R2967 F2968 L2992 | D2923-K2964 IonicContact OD1-NZ 2.99Å; D2923-K2964 PolarHBondContact OD1-NZ 3.19Å; I2926-K2964 HydrophobicContact CD1-CD 3.77Å; K2960-K2964 VanDerWaalsContact O-CB 3.32Å; K2960-K2964 WeakPolarHBondContact O-CB 3.37Å; K2960-K2964 PolarHBondContact O-N 3.12Å; V2961-K2964 PolarHBondContact O-N 3.03Å; L2962-K2964 VanDerWaalsContact C-N 3.31Å; L2962-K2964 PolarHBondContact O-N 3.01Å; K2964-R2967 PolarHBondContact O-N 3.12Å; K2964-F2968 HydrophobicContact CD-CE2 4.45Å; K2964-F2968 HydrophobicContact CD-CZ 4.26Å; K2964-F2968 HydrophobicContact CG-CD2 4.4Å; K2964-F2968 HydrophobicContact CG-CE1 4.26Å; K2964-F2968 HydrophobicContact CG-CE2 3.79Å; K2964-F2968 HydrophobicContact CG-CZ 3.84Å; K2964-F2968 WeakPolarHBondContact O-CD2 3.43Å; K2964-F2968 WeakPolarHBondContact O-CG 3.32Å; K2964-F2968 PolarHBondContact O-N 2.95Å; K2964-F2968 VanDerWaalsContact O-N 3.07Å; K2964-L2992 HydrophobicContact CG-CD1 4.45Å |
| 2965 | L | 93.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.9 | -51.4 | 173.9 | 178.9 | 55 | 0 | 0 | 0 | 112.1 | V2961 L2962 R2967 F2968 I2969 T2989 L2992 L2993 L2996 I3017 | V2961-L2965 WeakPolarHBondContact O-CB 3.34Å; V2961-L2965 PolarHBondContact O-N 3.13Å; L2962-L2965 PolarHBondContact O-N 3.01Å; L2965-R2967 VanDerWaalsContact C-N 3.28Å; L2965-R2967 PolarHBondContact O-N 3.18Å; L2965-F2968 PolarHBondContact O-N 3.1Å; L2965-F2968 VanDerWaalsContact O-N 3.12Å; L2965-I2969 HydrophobicContact CD1-CD1 3.96Å; L2965-I2969 HydrophobicContact CD1-CG1 4.21Å; L2965-I2969 HydrophobicContact CG-CD1 3.97Å; L2965-I2969 WeakPolarHBondContact O-CG1 3.39Å; L2965-I2969 PolarHBondContact O-N 3.11Å; L2965-T2989 HydrophobicContact CD1-CG2 3.81Å; L2965-L2992 HydrophobicContact CB-CB 4.31Å; L2965-L2992 HydrophobicContact CB-CD1 4.01Å; L2965-L2992 HydrophobicContact CD1-CB 4.04Å; L2965-L2992 HydrophobicContact CD1-CD1 4.31Å; L2965-L2992 HydrophobicContact CD2-CB 4.38Å; L2965-L2992 HydrophobicContact CG-CB 4.47Å; L2965-L2993 HydrophobicContact CD2-CD2 4.12Å; L2965-L2996 HydrophobicContact CD2-CD1 3.51Å; L2965-L2996 HydrophobicContact CD2-CD2 4.32Å; L2965-L2996 HydrophobicContact CD2-CG 4.14Å; L2965-I3017 HydrophobicContact CD2-CD1 4.04Å; L2965-I3017 HydrophobicContact CD2-CG2 4.18Å; L2965-I3017 HydrophobicContact CG-CD1 4.44Å |
| 2966 | C | 92.8 | Very high | 91.4 | Very high | 22 Ų | 22 | 47.1 Ų | 47.1 | 15% | 0.149 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.3 | -42 | 175.6 | -69.8 | 0 | 0 | 0 | 0 | 111.8 | L2962 F2968 I2969 E2970 | L2962-C2966 VanDerWaalsContact O-CB 3.32Å; L2962-C2966 WeakPolarHBondContact O-CB 3.38Å; L2962-C2966 PolarHBondContact O-N 3.18Å; L2962-C2966 PolarHBondContact O-SG 3.16Å; C2966-F2968 VanDerWaalsContact C-N 3.34Å; C2966-F2968 PolarHBondContact O-N 3.22Å; C2966-I2969 PolarHBondContact O-N 3.21Å; C2966-E2970 WeakPolarHBondContact O-CB 3.37Å; C2966-E2970 VanDerWaalsContact O-CG 3.32Å; C2966-E2970 WeakPolarHBondContact O-CG 3.35Å; C2966-E2970 PolarHBondContact O-N 2.97Å |
| 2967 | R | 92.3 | Very high | 91.2 | Very high | 155.2 Ų | 155.2 | 45.4 Ų | 45.4 | 59% | 0.586 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -65.2 | -34.5 | 177.7 | -154 | -179.2 | 145.7 | 170.9 | 1.8 | 113 | S2963 K2964 L2965 E2970 K2971 | S2963-R2967 VanDerWaalsContact O-CB 3.27Å; S2963-R2967 WeakPolarHBondContact O-CB 3.37Å; S2963-R2967 WeakPolarHBondContact O-CG 3.38Å; S2963-R2967 PolarHBondContact O-N 3.22Å; S2963-R2967 VanDerWaalsContact O-N 3.08Å; K2964-R2967 PolarHBondContact O-N 3.12Å; L2965-R2967 VanDerWaalsContact C-N 3.28Å; L2965-R2967 PolarHBondContact O-N 3.18Å; R2967-E2970 PolarHBondContact O-N 2.87Å; R2967-K2971 WeakPolarHBondContact O-CB 3.22Å; R2967-K2971 VanDerWaalsContact O-CG 3.31Å; R2967-K2971 WeakPolarHBondContact O-CG 3.4Å; R2967-K2971 PolarHBondContact O-N 2.99Å; R2967-K2971 VanDerWaalsContact O-N 3.08Å |
| 2968 | F | 91 | Very high | 90.9 | Very high | 19 Ų | 19 | 48.5 Ų | 48.5 | 8% | 0.083 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71 | -42.8 | 174.7 | -65.8 | -28.8 | 0 | 0 | 0 | 111.8 | K2964 L2965 C2966 E2970 K2971 T2972 L2985 E2988 L2992 | K2964-F2968 HydrophobicContact CD-CE2 4.45Å; K2964-F2968 HydrophobicContact CD-CZ 4.26Å; K2964-F2968 HydrophobicContact CG-CD2 4.4Å; K2964-F2968 HydrophobicContact CG-CE1 4.26Å; K2964-F2968 HydrophobicContact CG-CE2 3.79Å; K2964-F2968 HydrophobicContact CG-CZ 3.84Å; K2964-F2968 WeakPolarHBondContact O-CD2 3.43Å; K2964-F2968 WeakPolarHBondContact O-CG 3.32Å; K2964-F2968 PolarHBondContact O-N 2.95Å; K2964-F2968 VanDerWaalsContact O-N 3.07Å; L2965-F2968 PolarHBondContact O-N 3.1Å; L2965-F2968 VanDerWaalsContact O-N 3.12Å; C2966-F2968 VanDerWaalsContact C-N 3.34Å; C2966-F2968 PolarHBondContact O-N 3.22Å; F2968-E2970 PolarHBondContact O-N 3.39Å; F2968-K2971 WeakPolarHBondContact O-CB 3.39Å; F2968-K2971 PolarHBondContact O-N 3.09Å; F2968-T2972 VanDerWaalsContact O-CG2 3.3Å; F2968-T2972 WeakPolarHBondContact O-CG2 3.33Å; F2968-T2972 PolarHBondContact O-N 3.09Å; F2968-L2985 HydrophobicContact CD1-CD1 4.43Å; F2968-E2988 HydrophobicContact CD2-CB 3.97Å; F2968-E2988 VanDerWaalsContact CE1-OE2 3.25Å; F2968-E2988 WeakPolarHBondContact CE1-OE2 3.31Å; F2968-E2988 HydrophobicContact CE2-CB 3.7Å; F2968-E2988 HydrophobicContact CE2-CG 4.48Å; F2968-E2988 HydrophobicContact CZ-CB 4.15Å; F2968-E2988 HydrophobicContact CZ-CG 4.4Å; F2968-E2988 WeakPolarHBondContact CZ-OE2 3.4Å; F2968-L2992 HydrophobicContact CD2-CD1 3.62Å; F2968-L2992 HydrophobicContact CE2-CD1 3.71Å |
| 2969 | I | 91.7 | Very high | 90.5 | Very high | 9.6 Ų | 9.6 | 51.3 Ų | 51.3 | 5% | 0.049 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.1 | -47.9 | 174 | -61.6 | 166.4 | 0 | 0 | 0 | 110.2 | L2965 C2966 K2971 T2972 T2989 I3017 L3020 L3021 F3353 L3361 | L2965-I2969 HydrophobicContact CD1-CD1 3.96Å; L2965-I2969 HydrophobicContact CD1-CG1 4.21Å; L2965-I2969 HydrophobicContact CG-CD1 3.97Å; L2965-I2969 WeakPolarHBondContact O-CG1 3.39Å; L2965-I2969 PolarHBondContact O-N 3.11Å; C2966-I2969 PolarHBondContact O-N 3.21Å; I2969-K2971 VanDerWaalsContact C-N 3.33Å; I2969-K2971 PolarHBondContact O-N 3.24Å; I2969-T2972 WeakPolarHBondContact O-CB 3.4Å; I2969-T2972 PolarHBondContact O-N 3.07Å; I2969-T2972 VanDerWaalsContact O-N 3.13Å; I2969-T2972 PolarHBondContact O-OG1 3.02Å; I2969-T2989 HydrophobicContact CG1-CG2 4.45Å; I2969-I3017 HydrophobicContact CD1-CG1 4.29Å; I2969-L3020 HydrophobicContact CG2-CD1 4.04Å; I2969-L3021 HydrophobicContact CD1-CD1 3.95Å; I2969-F3353 HydrophobicContact CB-CZ 4.46Å; I2969-F3353 HydrophobicContact CG2-CE1 3.84Å; I2969-F3353 HydrophobicContact CG2-CZ 3.71Å; I2969-L3361 HydrophobicContact CG2-CD1 3.66Å |
| 2970 | E | 91.6 | Very high | 90.3 | Very high | 78.4 Ų | 78.4 | 46.9 Ų | 46.9 | 37% | 0.366 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.7 | -39.6 | 176.3 | -88.2 | -175.1 | -174.8 | 0 | 0 | 112.9 | C2966 R2967 F2968 T2972 C2973 K3352 F3353 | C2966-E2970 WeakPolarHBondContact O-CB 3.37Å; C2966-E2970 VanDerWaalsContact O-CG 3.32Å; C2966-E2970 WeakPolarHBondContact O-CG 3.35Å; C2966-E2970 PolarHBondContact O-N 2.97Å; R2967-E2970 PolarHBondContact O-N 2.87Å; F2968-E2970 PolarHBondContact O-N 3.39Å; E2970-T2972 PolarHBondContact O-N 3.09Å; E2970-T2972 VanDerWaalsContact O-N 3.16Å; E2970-C2973 WeakPolarHBondContact O-CB 3.32Å; E2970-C2973 PolarHBondContact O-N 3.07Å; E2970-C2973 PolarHBondContact O-SG 3.49Å; E2970-K3352 IonicContact OE1-NZ 3.05Å; E2970-K3352 PolarHBondContact OE1-NZ 3.2Å; E2970-K3352 IonicContact OE2-NZ 2.76Å; E2970-K3352 PolarHBondContact OE2-NZ 3.22Å; E2970-F3353 HydrophobicContact CB-CZ 4.29Å; E2970-F3353 HydrophobicContact CG-CE1 4.45Å; E2970-F3353 HydrophobicContact CG-CE2 4.02Å; E2970-F3353 HydrophobicContact CG-CZ 3.52Å; E2970-F3353 VanDerWaalsContact CG-CZ 3.5Å |
| 2971 | K | 91.8 | Very high | 90.1 | Very high | 107.6 Ų | 107.6 | 47.1 Ų | 47.1 | 47% | 0.468 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.5 | -22.3 | 176.2 | -84.1 | -173.3 | 171.4 | -159.3 | 0 | 113.6 | R2967 F2968 I2969 C2973 S2974 L2985 | R2967-K2971 WeakPolarHBondContact O-CB 3.22Å; R2967-K2971 VanDerWaalsContact O-CG 3.31Å; R2967-K2971 WeakPolarHBondContact O-CG 3.4Å; R2967-K2971 PolarHBondContact O-N 2.99Å; R2967-K2971 VanDerWaalsContact O-N 3.08Å; F2968-K2971 WeakPolarHBondContact O-CB 3.39Å; F2968-K2971 PolarHBondContact O-N 3.09Å; I2969-K2971 VanDerWaalsContact C-N 3.33Å; I2969-K2971 PolarHBondContact O-N 3.24Å; K2971-C2973 PolarHBondContact O-N 3.02Å; K2971-S2974 VanDerWaalsContact O-CB 3.31Å; K2971-S2974 WeakPolarHBondContact O-CB 3.42Å; K2971-S2974 PolarHBondContact O-N 3.14Å; K2971-S2974 VanDerWaalsContact O-N 3.08Å; K2971-S2974 PolarHBondContact O-OG 2.83Å; K2971-L2985 HydrophobicContact CB-CD1 3.6Å; K2971-L2985 HydrophobicContact CD-CD1 4.04Å; K2971-L2985 HydrophobicContact CG-CD1 4.37Å |
| 2972 | T | 91.1 | Very high | 89.8 | Confident | 7.4 Ų | 7.4 | 52.6 Ų | 52.6 | 5% | 0.045 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.5 | -22.7 | 177 | 70.4 | 0 | 0 | 0 | 0 | 112.9 | F2968 I2969 E2970 S2974 A2975 L2980 H2983 L2985 N3358 | F2968-T2972 VanDerWaalsContact O-CG2 3.3Å; F2968-T2972 WeakPolarHBondContact O-CG2 3.33Å; F2968-T2972 PolarHBondContact O-N 3.09Å; I2969-T2972 WeakPolarHBondContact O-CB 3.4Å; I2969-T2972 PolarHBondContact O-N 3.07Å; I2969-T2972 VanDerWaalsContact O-N 3.13Å; I2969-T2972 PolarHBondContact O-OG1 3.02Å; E2970-T2972 PolarHBondContact O-N 3.09Å; E2970-T2972 VanDerWaalsContact O-N 3.16Å; T2972-S2974 PolarHBondContact O-N 3.06Å; T2972-A2975 CarbonylContact O-C 3.47Å; T2972-A2975 PolarHBondContact O-N 3.24Å; T2972-L2980 HydrophobicContact CG2-CD1 3.82Å; T2972-H2983 WeakPolarHBondContact CA-NE2 3.3Å; T2972-H2983 WeakPolarHBondContact CG2-ND1 3.4Å; T2972-H2983 PolarHBondContact O-NE2 3.35Å; T2972-L2985 HydrophobicContact CG2-CD1 4.45Å; T2972-N3358 PolarHBondContact OG1-ND2 3.2Å |
| 2973 | C | 88.7 | Confident | 89.7 | Confident | 34.8 Ų | 34.8 | 53 Ų | 53 | 24% | 0.235 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -10.5 | 172.6 | -43.4 | 0 | 0 | 0 | 0 | 113.8 | E2970 K2971 Q3356 N3358 | E2970-C2973 WeakPolarHBondContact O-CB 3.32Å; E2970-C2973 PolarHBondContact O-N 3.07Å; E2970-C2973 PolarHBondContact O-SG 3.49Å; K2971-C2973 PolarHBondContact O-N 3.02Å; C2973-Q3356 HydrophobicContact CB-CG 3.84Å; C2973-N3358 PolarHBondContact N-ND2 2.87Å; C2973-N3358 PolarHBondContact SG-ND2 3.08Å; C2973-N3358 VanDerWaalsContact SG-ND2 3.39Å |
| 2974 | S | 88.4 | Confident | 89.5 | Confident | 101.8 Ų | 101.8 | 55.7 Ų | 55.7 | 71% | 0.712 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -20.6 | 176.4 | -55.3 | 0 | 0 | 0 | 0 | 113.4 | K2971 T2972 | K2971-S2974 VanDerWaalsContact O-CB 3.31Å; K2971-S2974 WeakPolarHBondContact O-CB 3.42Å; K2971-S2974 PolarHBondContact O-N 3.14Å; K2971-S2974 VanDerWaalsContact O-N 3.08Å; K2971-S2974 PolarHBondContact O-OG 2.83Å; T2972-S2974 PolarHBondContact O-N 3.06Å |
| 2975 | A | 87.1 | Confident | 89.5 | Confident | 51.4 Ų | 51.4 | 55.2 Ų | 55.2 | 43% | 0.425 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -139.3 | 66 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | T2972 T2977 H2983 | T2972-A2975 CarbonylContact O-C 3.47Å; T2972-A2975 PolarHBondContact O-N 3.24Å; A2975-T2977 PolarHBondContact O-N 3.18Å; A2975-H2983 PolarHBondContact O-CD2 3.28Å; A2975-H2983 PolarHBondContact O-NE2 3.08Å; A2975-H2983 VanDerWaalsContact O-NE2 3.12Å |
| 2976 | P | 85.8 | Confident | 89.4 | Confident | 68 Ų | 68 | 56.6 Ų | 56.6 | 44% | 0.442 | 31% | 0.305 | S | S | . | . | trans | -61.3 | 133.2 | -167 | 14.7 | -21.9 | 0 | 0 | 0 | 113.2 | ||||
| 2977 | T | 87.7 | Confident | 89.3 | Confident | 36 Ų | 36 | 58.9 Ų | 58.9 | 22% | 0.221 | 32% | 0.32 | C | S | . | . | trans | -117.8 | 159.2 | 173 | 54.7 | 0 | 0 | 0 | 0 | 111.1 | A2975 L2979 H2983 A3360 | A2975-T2977 PolarHBondContact O-N 3.18Å; T2977-L2979 VanDerWaalsContact C-N 3.32Å; T2977-L2979 WeakPolarHBondContact CB-O 3.37Å; T2977-L2979 PolarHBondContact O-N 3.41Å; T2977-L2979 PolarHBondContact OG1-O 3.12Å; T2977-H2983 HydrophobicContact CG2-CB 4.39Å; T2977-H2983 WeakPolarHBondContact OG1-CB 3.31Å; T2977-A3360 PolarHBondContact O-N 3.02Å | ||
| 2978 | T | 85.6 | Confident | 89.1 | Confident | 64.8 Ų | 64.8 | 54.4 Ų | 54.4 | 40% | 0.398 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -71.2 | -31 | 176.9 | 47.5 | 0 | 0 | 0 | 0 | 113 | Q2982 T3412 A3415 | T2978-Q2982 PolarHBondContact OG1-OE1 2.98Å; T2978-T3412 HydrophobicContact CG2-CG2 3.61Å; T2978-A3415 HydrophobicContact CG2-CB 4.18Å |
| 2979 | L | 86.1 | Confident | 89.1 | Confident | 58.2 Ų | 58.2 | 53.5 Ų | 53.5 | 31% | 0.305 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -125.2 | 137.2 | 172.2 | -64.2 | 174.1 | 0 | 0 | 0 | 109.4 | T2977 E2981 Q2982 P3310 | T2977-L2979 VanDerWaalsContact C-N 3.32Å; T2977-L2979 WeakPolarHBondContact CB-O 3.37Å; T2977-L2979 PolarHBondContact O-N 3.41Å; T2977-L2979 PolarHBondContact OG1-O 3.12Å; L2979-E2981 PolarHBondContact O-N 3.11Å; L2979-Q2982 HydrophobicContact CB-CG 4.17Å; L2979-Q2982 PolarHBondContact O-N 3.09Å; L2979-Q2982 VanDerWaalsContact O-N 3.08Å; L2979-P3310 HydrophobicContact CD1-CB 4.16Å; L2979-P3310 HydrophobicContact CD1-CG 3.7Å; L2979-P3310 VanDerWaalsContact CD1-CG 3.49Å |
| 2980 | L | 87.9 | Confident | 89 | Confident | 17.4 Ų | 17.4 | 53.1 Ų | 53.1 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -63.3 | -32 | 178.9 | -173 | 67.9 | 0 | 0 | 0 | 111.9 | T2972 Q2982 H2983 W2986 L3021 A3360 L3361 | T2972-L2980 HydrophobicContact CG2-CD1 3.82Å; L2980-Q2982 PolarHBondContact O-N 3.05Å; L2980-H2983 HydrophobicContact CD1-CB 4.35Å; L2980-H2983 VanDerWaalsContact O-CB 3.23Å; L2980-H2983 WeakPolarHBondContact O-CB 3.27Å; L2980-H2983 PolarHBondContact O-N 3.17Å; L2980-H2983 VanDerWaalsContact O-N 3.1Å; L2980-W2986 HydrophobicContact CD2-CE3 4.12Å; L2980-W2986 HydrophobicContact CD2-CZ3 3.75Å; L2980-W2986 HydrophobicContact CG-CE3 3.97Å; L2980-W2986 HydrophobicContact CG-CZ3 4.09Å; L2980-W2986 WeakPolarHBondContact O-CB 3.34Å; L2980-L3021 HydrophobicContact CD2-CD2 3.31Å; L2980-A3360 HydrophobicContact CB-CB 4.27Å; L2980-L3361 HydrophobicContact CD1-CD1 4.4Å; L2980-L3361 HydrophobicContact CD1-CD2 4.46Å; L2980-L3361 HydrophobicContact CD1-CG 4.47Å; L2980-L3361 HydrophobicContact CD2-CD2 4.31Å |
| 2981 | E | 87.1 | Confident | 89 | Confident | 72.8 Ų | 72.8 | 49.5 Ų | 49.5 | 34% | 0.34 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -64.1 | -21.5 | 178.6 | -65.4 | 170.4 | -136.4 | 0 | 0 | 113.5 | L2979 W2986 G3025 | L2979-E2981 PolarHBondContact O-N 3.11Å; E2981-W2986 HydrophobicContact CG-CD2 4.4Å; E2981-W2986 HydrophobicContact CG-CH2 4.43Å; E2981-W2986 HydrophobicContact CG-CZ2 3.84Å; E2981-W2986 VanDerWaalsContact O-CD1 3.31Å; E2981-G3025 VanDerWaalsContact CD-CA 3.45Å; E2981-G3025 VanDerWaalsContact CD-N 3.29Å; E2981-G3025 WeakPolarHBondContact OE1-CA 3.34Å; E2981-G3025 PolarHBondContact OE1-N 3.03Å |
| 2982 | Q | 87.2 | Confident | 89 | Confident | 117.4 Ų | 117.4 | 44.4 Ų | 44.4 | 55% | 0.549 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -90.7 | -5.9 | 177 | -64.4 | 174 | -23.4 | 0 | 0 | 112.7 | T2978 L2979 L2980 | T2978-Q2982 PolarHBondContact OG1-OE1 2.98Å; L2979-Q2982 HydrophobicContact CB-CG 4.17Å; L2979-Q2982 PolarHBondContact O-N 3.09Å; L2979-Q2982 VanDerWaalsContact O-N 3.08Å; L2980-Q2982 PolarHBondContact O-N 3.05Å |
| 2983 | H | 91.2 | Very high | 89.1 | Confident | 7.4 Ų | 7.4 | 44.2 Ų | 44.2 | 3% | 0.034 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -75 | 138.8 | -177.6 | -170.6 | -94.7 | 0 | 0 | 0 | 110.9 | T2972 A2975 T2977 L2980 L2985 W2986 | T2972-H2983 WeakPolarHBondContact CA-NE2 3.3Å; T2972-H2983 WeakPolarHBondContact CG2-ND1 3.4Å; T2972-H2983 PolarHBondContact O-NE2 3.35Å; A2975-H2983 PolarHBondContact O-CD2 3.28Å; A2975-H2983 PolarHBondContact O-NE2 3.08Å; A2975-H2983 VanDerWaalsContact O-NE2 3.12Å; T2977-H2983 HydrophobicContact CG2-CB 4.39Å; T2977-H2983 WeakPolarHBondContact OG1-CB 3.31Å; L2980-H2983 HydrophobicContact CD1-CB 4.35Å; L2980-H2983 VanDerWaalsContact O-CB 3.23Å; L2980-H2983 WeakPolarHBondContact O-CB 3.27Å; L2980-H2983 PolarHBondContact O-N 3.17Å; L2980-H2983 VanDerWaalsContact O-N 3.1Å; H2983-L2985 VanDerWaalsContact ND1-CB 3.35Å; H2983-L2985 WeakPolarHBondContact ND1-CB 3.42Å; H2983-L2985 PolarHBondContact ND1-N 3.04Å; H2983-L2985 VanDerWaalsContact ND1-N 3.16Å; H2983-L2985 PolarHBondContact O-N 3.22Å; H2983-W2986 VanDerWaalsContact O-CB 3.24Å; H2983-W2986 WeakPolarHBondContact O-CB 3.34Å; H2983-W2986 PolarHBondContact O-N 3.2Å |
| 2984 | P | 89.9 | Confident | 89.2 | Confident | 98.8 Ų | 98.8 | 42.9 Ų | 42.9 | 64% | 0.642 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -20.1 | -178.9 | 2.3 | -7.2 | 0 | 0 | 0 | 115.2 | P2987 | P2984-P2987 WeakPolarHBondContact O-CD 3.35Š|
| 2985 | L | 91.4 | Very high | 89.5 | Confident | 31.6 Ų | 31.6 | 38.1 Ų | 38.1 | 17% | 0.165 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 4 | 173 | -57.1 | 177.3 | 0 | 0 | 0 | 114.2 | F2968 K2971 T2972 H2983 E2988 T2989 | F2968-L2985 HydrophobicContact CD1-CD1 4.43Å; K2971-L2985 HydrophobicContact CB-CD1 3.6Å; K2971-L2985 HydrophobicContact CD-CD1 4.04Å; K2971-L2985 HydrophobicContact CG-CD1 4.37Å; T2972-L2985 HydrophobicContact CG2-CD1 4.45Å; H2983-L2985 VanDerWaalsContact ND1-CB 3.35Å; H2983-L2985 WeakPolarHBondContact ND1-CB 3.42Å; H2983-L2985 PolarHBondContact ND1-N 3.04Å; H2983-L2985 VanDerWaalsContact ND1-N 3.16Å; H2983-L2985 PolarHBondContact O-N 3.22Å; L2985-E2988 VanDerWaalsContact CA-OE2 3.26Å; L2985-E2988 WeakPolarHBondContact CA-OE2 3.38Å; L2985-E2988 PolarHBondContact O-N 3.09Å; L2985-E2988 VanDerWaalsContact O-N 3.13Å; L2985-T2989 VanDerWaalsContact O-CB 3.3Å; L2985-T2989 WeakPolarHBondContact O-CB 3.42Å; L2985-T2989 PolarHBondContact O-N 3.06Å; L2985-T2989 PolarHBondContact O-OG1 3.13Å |
| 2986 | W | 91.6 | Very high | 89.8 | Confident | 28.8 Ų | 28.8 | 35.7 Ų | 35.7 | 11% | 0.109 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.7 | -41.3 | 176.5 | -177.1 | -120.1 | 0 | 0 | 0 | 113.2 | L2980 E2981 H2983 E2988 T2989 A2990 L3029 | L2980-W2986 HydrophobicContact CD2-CE3 4.12Å; L2980-W2986 HydrophobicContact CD2-CZ3 3.75Å; L2980-W2986 HydrophobicContact CG-CE3 3.97Å; L2980-W2986 HydrophobicContact CG-CZ3 4.09Å; L2980-W2986 WeakPolarHBondContact O-CB 3.34Å; E2981-W2986 HydrophobicContact CG-CD2 4.4Å; E2981-W2986 HydrophobicContact CG-CH2 4.43Å; E2981-W2986 HydrophobicContact CG-CZ2 3.84Å; E2981-W2986 VanDerWaalsContact O-CD1 3.31Å; H2983-W2986 VanDerWaalsContact O-CB 3.24Å; H2983-W2986 WeakPolarHBondContact O-CB 3.34Å; H2983-W2986 PolarHBondContact O-N 3.2Å; W2986-E2988 PolarHBondContact O-N 3.24Å; W2986-E2988 VanDerWaalsContact O-N 3.16Å; W2986-T2989 HydrophobicContact CE3-CG2 4.25Å; W2986-T2989 HydrophobicContact CZ3-CG2 4.24Å; W2986-T2989 PolarHBondContact O-N 3.14Å; W2986-T2989 VanDerWaalsContact O-N 3.09Å; W2986-A2990 HydrophobicContact CD2-CB 4.21Å; W2986-A2990 HydrophobicContact CE3-CB 4.42Å; W2986-A2990 HydrophobicContact CH2-CB 4.33Å; W2986-A2990 HydrophobicContact CZ2-CB 3.97Å; W2986-A2990 HydrophobicContact CZ3-CB 4.45Å; W2986-A2990 WeakPolarHBondContact O-CB 3.35Å; W2986-A2990 PolarHBondContact O-N 3.26Å; W2986-L3029 HydrophobicContact CH2-CD1 4.2Å; W2986-L3029 HydrophobicContact CH2-CD2 3.74Å; W2986-L3029 VanDerWaalsContact CH2-CD2 3.46Å; W2986-L3029 HydrophobicContact CZ2-CD1 4.12Å; W2986-L3029 HydrophobicContact CZ2-CD2 3.9Å; W2986-L3029 VanDerWaalsContact CZ2-CD2 3.43Å |
| 2987 | P | 89.5 | Confident | 90.2 | Very high | 71.2 Ų | 71.2 | 32.6 Ų | 32.6 | 46% | 0.462 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.4 | -27.1 | 173.2 | -24.9 | 36.3 | 0 | 0 | 0 | 114.1 | V2930 P2984 P2991 | V2930-P2987 HydrophobicContact CG1-CB 4.43Å; P2984-P2987 WeakPolarHBondContact O-CD 3.35Å; P2987-P2991 WeakPolarHBondContact O-CD 3.36Å; P2987-P2991 VanDerWaalsContact O-CG 3.24Å; P2987-P2991 WeakPolarHBondContact O-CG 3.41Å |
| 2988 | E | 88.7 | Confident | 90.5 | Very high | 59 Ų | 59 | 31.6 Ų | 31.6 | 28% | 0.276 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -85 | -30.1 | 173.6 | -60.5 | 150.9 | 169.5 | 0 | 0 | 113 | V2930 F2968 L2985 W2986 L2992 | V2930-E2988 HydrophobicContact CG1-CG 4.16Å; V2930-E2988 HydrophobicContact CG2-CB 4.35Å; V2930-E2988 HydrophobicContact CG2-CG 4.15Å; F2968-E2988 HydrophobicContact CD2-CB 3.97Å; F2968-E2988 VanDerWaalsContact CE1-OE2 3.25Å; F2968-E2988 WeakPolarHBondContact CE1-OE2 3.31Å; F2968-E2988 HydrophobicContact CE2-CB 3.7Å; F2968-E2988 HydrophobicContact CE2-CG 4.48Å; F2968-E2988 HydrophobicContact CZ-CB 4.15Å; F2968-E2988 HydrophobicContact CZ-CG 4.4Å; F2968-E2988 WeakPolarHBondContact CZ-OE2 3.4Å; L2985-E2988 VanDerWaalsContact CA-OE2 3.26Å; L2985-E2988 WeakPolarHBondContact CA-OE2 3.38Å; L2985-E2988 PolarHBondContact O-N 3.09Å; L2985-E2988 VanDerWaalsContact O-N 3.13Å; W2986-E2988 PolarHBondContact O-N 3.24Å; W2986-E2988 VanDerWaalsContact O-N 3.16Å; E2988-L2992 WeakPolarHBondContact O-CD1 3.43Å; E2988-L2992 WeakPolarHBondContact O-CG 3.34Å |
| 2989 | T | 90.4 | Very high | 90.9 | Very high | 1.2 Ų | 1.2 | 28.5 Ų | 28.5 | 1% | 0.007 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -81.2 | -42.5 | -175.6 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | L2965 I2969 L2985 W2986 L2992 L2993 | L2965-T2989 HydrophobicContact CD1-CG2 3.81Å; I2969-T2989 HydrophobicContact CG1-CG2 4.45Å; L2985-T2989 VanDerWaalsContact O-CB 3.3Å; L2985-T2989 WeakPolarHBondContact O-CB 3.42Å; L2985-T2989 PolarHBondContact O-N 3.06Å; L2985-T2989 PolarHBondContact O-OG1 3.13Å; W2986-T2989 HydrophobicContact CE3-CG2 4.25Å; W2986-T2989 HydrophobicContact CZ3-CG2 4.24Å; W2986-T2989 PolarHBondContact O-N 3.14Å; W2986-T2989 VanDerWaalsContact O-N 3.09Å; T2989-L2992 PolarHBondContact O-N 3.18Å; T2989-L2993 PolarHBondContact O-N 2.91Å |
| 2990 | A | 91.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67 | -42.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L2934 W2986 L2992 L2993 R2994 L3029 | L2934-A2990 HydrophobicContact CD1-CB 4.09Å; L2934-A2990 HydrophobicContact CD2-CB 3.9Å; L2934-A2990 HydrophobicContact CG-CB 4.45Å; W2986-A2990 HydrophobicContact CD2-CB 4.21Å; W2986-A2990 HydrophobicContact CE3-CB 4.42Å; W2986-A2990 HydrophobicContact CH2-CB 4.33Å; W2986-A2990 HydrophobicContact CZ2-CB 3.97Å; W2986-A2990 HydrophobicContact CZ3-CB 4.45Å; W2986-A2990 WeakPolarHBondContact O-CB 3.35Å; W2986-A2990 PolarHBondContact O-N 3.26Å; A2990-L2992 VanDerWaalsContact C-N 3.28Å; A2990-L2992 PolarHBondContact O-N 3.05Å; A2990-L2993 WeakPolarHBondContact O-CB 3.28Å; A2990-L2993 PolarHBondContact O-N 3.2Å; A2990-L2993 VanDerWaalsContact O-N 3.14Å; A2990-R2994 PolarHBondContact O-N 3.4Å; A2990-L3029 HydrophobicContact CB-CD1 4.01Å; A2990-L3029 HydrophobicContact CB-CD2 3.95Å |
| 2991 | P | 90.6 | Very high | 91.5 | Very high | 3.6 Ų | 3.6 | 31 Ų | 31 | 2% | 0.023 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.2 | -35 | 173.9 | -24.7 | 36 | 0 | 0 | 0 | 112.6 | V2930 L2934 P2987 L2993 R2994 Y2995 | V2930-P2991 HydrophobicContact CG2-CG 4.49Å; L2934-P2991 HydrophobicContact CD1-CG 4.47Å; P2987-P2991 WeakPolarHBondContact O-CD 3.36Å; P2987-P2991 VanDerWaalsContact O-CG 3.24Å; P2987-P2991 WeakPolarHBondContact O-CG 3.41Å; P2991-L2993 VanDerWaalsContact C-N 3.25Å; P2991-L2993 PolarHBondContact O-N 3Å; P2991-L2993 VanDerWaalsContact O-N 3.15Å; P2991-R2994 WeakPolarHBondContact O-CA 3.32Å; P2991-R2994 VanDerWaalsContact O-CB 3.26Å; P2991-R2994 WeakPolarHBondContact O-CB 3.37Å; P2991-R2994 PolarHBondContact O-N 3.11Å; P2991-Y2995 VanDerWaalsContact O-CD2 3.25Å; P2991-Y2995 WeakPolarHBondContact O-CD2 3.37Å; P2991-Y2995 PolarHBondContact O-N 2.97Å; P2991-Y2995 VanDerWaalsContact O-N 3.11Å |
| 2992 | L | 92.6 | Very high | 91.6 | Very high | 0.8 Ų | 0.8 | 33.3 Ų | 33.3 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64 | -24.4 | 177.8 | -70.7 | 175.4 | 0 | 0 | 0 | 113.4 | I2926 V2961 K2964 L2965 F2968 E2988 T2989 A2990 R2994 Y2995 L2996 | I2926-L2992 HydrophobicContact CD1-CD2 3.69Å; I2926-L2992 HydrophobicContact CG1-CD2 3.84Å; I2926-L2992 HydrophobicContact CG2-CD2 4.35Å; V2961-L2992 HydrophobicContact CG1-CD2 4.36Å; K2964-L2992 HydrophobicContact CG-CD1 4.45Å; L2965-L2992 HydrophobicContact CB-CB 4.31Å; L2965-L2992 HydrophobicContact CB-CD1 4.01Å; L2965-L2992 HydrophobicContact CD1-CB 4.04Å; L2965-L2992 HydrophobicContact CD1-CD1 4.31Å; L2965-L2992 HydrophobicContact CD2-CB 4.38Å; L2965-L2992 HydrophobicContact CG-CB 4.47Å; F2968-L2992 HydrophobicContact CD2-CD1 3.62Å; F2968-L2992 HydrophobicContact CE2-CD1 3.71Å; E2988-L2992 WeakPolarHBondContact O-CD1 3.43Å; E2988-L2992 WeakPolarHBondContact O-CG 3.34Å; T2989-L2992 PolarHBondContact O-N 3.18Å; A2990-L2992 VanDerWaalsContact C-N 3.28Å; A2990-L2992 PolarHBondContact O-N 3.05Å; L2992-R2994 VanDerWaalsContact C-N 3.29Å; L2992-Y2995 WeakPolarHBondContact O-CB 3.29Å; L2992-Y2995 PolarHBondContact O-N 3.2Å; L2992-L2996 WeakPolarHBondContact O-CB 3.34Å; L2992-L2996 WeakPolarHBondContact O-CG 3.44Å; L2992-L2996 PolarHBondContact O-N 3.14Å |
| 2993 | L | 92.3 | Very high | 91.7 | Very high | 1.8 Ų | 1.8 | 28.2 Ų | 28.2 | 1% | 0.009 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -73.2 | -29.9 | 171.2 | -66 | 171.4 | 0 | 0 | 0 | 112.5 | L2965 T2989 A2990 P2991 L2996 L2997 I3017 L3021 L3029 V3033 F3036 | L2965-L2993 HydrophobicContact CD2-CD2 4.12Å; T2989-L2993 PolarHBondContact O-N 2.91Å; A2990-L2993 WeakPolarHBondContact O-CB 3.28Å; A2990-L2993 PolarHBondContact O-N 3.2Å; A2990-L2993 VanDerWaalsContact O-N 3.14Å; P2991-L2993 VanDerWaalsContact C-N 3.25Å; P2991-L2993 PolarHBondContact O-N 3Å; P2991-L2993 VanDerWaalsContact O-N 3.15Å; L2993-L2996 HydrophobicContact CD2-CD1 4.36Å; L2993-L2996 HydrophobicContact CD2-CD2 4Å; L2993-L2996 WeakPolarHBondContact O-CB 3.33Å; L2993-L2996 PolarHBondContact O-N 3.34Å; L2993-L2997 PolarHBondContact O-N 3.18Å; L2993-I3017 HydrophobicContact CD2-CG2 4.05Å; L2993-L3021 HydrophobicContact CD1-CB 4.48Å; L2993-L3021 HydrophobicContact CD1-CD1 4.01Å; L2993-L3021 HydrophobicContact CD2-CD1 3.91Å; L2993-L3021 HydrophobicContact CG-CD1 4.42Å; L2993-L3029 HydrophobicContact CB-CD1 4.09Å; L2993-L3029 HydrophobicContact CD1-CD1 4.17Å; L2993-L3029 HydrophobicContact CD1-CD2 3.89Å; L2993-L3029 HydrophobicContact CD1-CG 4.11Å; L2993-V3033 HydrophobicContact CD1-CG2 4.46Å; L2993-V3033 HydrophobicContact CD2-CG2 4.49Å; L2993-F3036 HydrophobicContact CD2-CE1 4.3Å |
| 2994 | R | 91.8 | Very high | 91.7 | Very high | 7.4 Ų | 7.4 | 28.4 Ų | 28.4 | 3% | 0.028 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.3 | -44.4 | 168.7 | -58 | -64.5 | -63.4 | 149.8 | 1.2 | 110.6 | L2934 E2940 A2943 A2990 P2991 L2992 L2996 L2997 M2998 L3029 S3032 A3089 | L2934-R2994 HydrophobicContact CD1-CG 4Å; E2940-R2994 VanDerWaalsContact CD-NH2 3.32Å; E2940-R2994 IonicContact OE1-CZ 3.17Å; E2940-R2994 IonicContact OE1-NE 3.28Å; E2940-R2994 PolarHBondContact OE1-NE 3.05Å; E2940-R2994 IonicContact OE1-NH2 3.59Å; E2940-R2994 PolarHBondContact OE1-NH2 3.29Å; E2940-R2994 VanDerWaalsContact OE1-NH2 3.08Å; E2940-R2994 IonicContact OE2-CZ 3.24Å; E2940-R2994 IonicContact OE2-NE 3.16Å; E2940-R2994 IonicContact OE2-NH2 3.2Å; E2940-R2994 PolarHBondContact OE2-NH2 3.31Å; A2943-R2994 HydrophobicContact CB-CB 4.33Å; A2990-R2994 PolarHBondContact O-N 3.4Å; P2991-R2994 WeakPolarHBondContact O-CA 3.32Å; P2991-R2994 VanDerWaalsContact O-CB 3.26Å; P2991-R2994 WeakPolarHBondContact O-CB 3.37Å; P2991-R2994 PolarHBondContact O-N 3.11Å; L2992-R2994 VanDerWaalsContact C-N 3.29Å; R2994-L2996 VanDerWaalsContact C-N 3.3Å; R2994-L2996 PolarHBondContact O-N 2.92Å; R2994-L2997 VanDerWaalsContact NH1-CD2 3.28Å; R2994-L2997 WeakPolarHBondContact O-CB 3.27Å; R2994-L2997 PolarHBondContact O-N 3.22Å; R2994-L2997 VanDerWaalsContact O-N 3.14Å; R2994-M2998 WeakPolarHBondContact O-CG 3.39Å; R2994-M2998 PolarHBondContact O-N 3.29Å; R2994-L3029 HydrophobicContact CG-CD1 4.49Å; R2994-S3032 PolarHBondContact NH1-OG 3.22Å; R2994-A3089 VanDerWaalsContact CZ-O 3.23Å; R2994-A3089 PolarHBondContact NH1-O 3.21Å; R2994-A3089 PolarHBondContact NH2-O 3.22Å |
| 2995 | Y | 93.5 | Very high | 91.8 | Very high | 1.4 Ų | 1.4 | 23.8 Ų | 23.8 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.2 | -41.2 | 174 | -77.8 | -122.6 | 0 | 0 | 0 | 111.4 | F2925 I2926 S2929 M2942 A2943 P2991 L2992 L2997 M2998 L2999 | F2925-Y2995 VanDerWaalsContact C-OH 3.26Å; F2925-Y2995 HydrophobicContact CB-CE1 4.37Å; F2925-Y2995 WeakPolarHBondContact CB-OH 3.28Å; F2925-Y2995 HydrophobicContact CD2-CE1 4.43Å; F2925-Y2995 PolarHBondContact O-OH 3.07Å; F2925-Y2995 VanDerWaalsContact O-OH 3.1Å; I2926-Y2995 HydrophobicContact CG1-CE1 4.34Å; S2929-Y2995 PolarHBondContact OG-OH 2.99Å; M2942-Y2995 VanDerWaalsContact CB-OH 3.26Å; M2942-Y2995 WeakPolarHBondContact CB-OH 3.38Å; M2942-Y2995 WeakPolarHBondContact O-CE1 3.32Å; M2942-Y2995 PolarHBondContact O-OH 3.23Å; A2943-Y2995 HydrophobicContact CB-CD2 3.61Å; A2943-Y2995 VanDerWaalsContact CB-CD2 3.49Å; A2943-Y2995 HydrophobicContact CB-CE2 3.79Å; A2943-Y2995 HydrophobicContact CB-CG 4.19Å; P2991-Y2995 VanDerWaalsContact O-CD2 3.25Å; P2991-Y2995 WeakPolarHBondContact O-CD2 3.37Å; P2991-Y2995 PolarHBondContact O-N 2.97Å; P2991-Y2995 VanDerWaalsContact O-N 3.11Å; L2992-Y2995 WeakPolarHBondContact O-CB 3.29Å; L2992-Y2995 PolarHBondContact O-N 3.2Å; Y2995-L2997 VanDerWaalsContact C-N 3.33Å; Y2995-L2997 PolarHBondContact O-N 3.14Å; Y2995-M2998 PolarHBondContact O-N 3.15Å; Y2995-L2999 VanDerWaalsContact O-CB 3.28Å; Y2995-L2999 WeakPolarHBondContact O-CB 3.38Å; Y2995-L2999 VanDerWaalsContact O-CG 3.24Å; Y2995-L2999 WeakPolarHBondContact O-CG 3.4Å; Y2995-L2999 PolarHBondContact O-N 3.2Å |
| 2996 | L | 94.3 | Very high | 91.8 | Very high | 0.2 Ų | 0.2 | 23 Ų | 23 | 0% | 0.001 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62 | -38.8 | 175 | -108.1 | 149.4 | 0 | 0 | 0 | 112.5 | V2961 L2962 L2965 L2992 L2993 R2994 S3000 L3005 L3014 I3017 F3036 | V2961-L2996 HydrophobicContact CG1-CD2 4.02Å; L2962-L2996 HydrophobicContact CD2-CD1 3.98Å; L2962-L2996 HydrophobicContact CD2-CD2 3.63Å; L2962-L2996 HydrophobicContact CG-CD2 4.15Å; L2965-L2996 HydrophobicContact CD2-CD1 3.51Å; L2965-L2996 HydrophobicContact CD2-CD2 4.32Å; L2965-L2996 HydrophobicContact CD2-CG 4.14Å; L2992-L2996 WeakPolarHBondContact O-CB 3.34Å; L2992-L2996 WeakPolarHBondContact O-CG 3.44Å; L2992-L2996 PolarHBondContact O-N 3.14Å; L2993-L2996 HydrophobicContact CD2-CD1 4.36Å; L2993-L2996 HydrophobicContact CD2-CD2 4Å; L2993-L2996 WeakPolarHBondContact O-CB 3.33Å; L2993-L2996 PolarHBondContact O-N 3.34Å; R2994-L2996 VanDerWaalsContact C-N 3.3Å; R2994-L2996 PolarHBondContact O-N 2.92Å; L2996-S3000 VanDerWaalsContact O-CB 3.28Å; L2996-S3000 WeakPolarHBondContact O-CB 3.38Å; L2996-S3000 PolarHBondContact O-N 3.11Å; L2996-S3000 VanDerWaalsContact O-N 3.09Å; L2996-S3000 PolarHBondContact O-OG 3.23Å; L2996-L3005 HydrophobicContact CD1-CD1 3.61Å; L2996-L3005 HydrophobicContact CD1-CD2 3.85Å; L2996-L3005 HydrophobicContact CD1-CG 4.41Å; L2996-L3005 HydrophobicContact CD2-CD1 4.18Å; L2996-L3005 HydrophobicContact CD2-CD2 3.69Å; L2996-L3005 HydrophobicContact CG-CD1 4.38Å; L2996-L3014 HydrophobicContact CD1-CD2 3.81Å; L2996-I3017 HydrophobicContact CD1-CD1 4.3Å; L2996-I3017 HydrophobicContact CD1-CG2 4Å; L2996-I3017 HydrophobicContact CD2-CG2 3.82Å; L2996-F3036 HydrophobicContact CD2-CD1 3.8Å; L2996-F3036 HydrophobicContact CD2-CD2 4.11Å; L2996-F3036 HydrophobicContact CD2-CE1 3.58Å; L2996-F3036 HydrophobicContact CD2-CE2 3.92Å; L2996-F3036 HydrophobicContact CD2-CG 4.1Å; L2996-F3036 HydrophobicContact CD2-CZ 3.65Å; L2996-F3036 HydrophobicContact CG-CD1 4.2Å; L2996-F3036 HydrophobicContact CG-CD2 4.29Å; L2996-F3036 HydrophobicContact CG-CE1 4.46Å; L2996-F3036 HydrophobicContact CG-CG 4.15Å |
| 2997 | L | 94.1 | Very high | 91.8 | Very high | 3.6 Ų | 3.6 | 21.7 Ų | 21.7 | 2% | 0.019 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.8 | -53.1 | 172.7 | 178.6 | 68 | 0 | 0 | 0 | 111 | L2993 R2994 Y2995 L2999 S3000 F3036 A3089 F3090 | L2993-L2997 PolarHBondContact O-N 3.18Å; R2994-L2997 VanDerWaalsContact NH1-CD2 3.28Å; R2994-L2997 WeakPolarHBondContact O-CB 3.27Å; R2994-L2997 PolarHBondContact O-N 3.22Å; R2994-L2997 VanDerWaalsContact O-N 3.14Å; Y2995-L2997 VanDerWaalsContact C-N 3.33Å; Y2995-L2997 PolarHBondContact O-N 3.14Å; L2997-L2999 VanDerWaalsContact C-N 3.33Å; L2997-L2999 PolarHBondContact O-N 3.05Å; L2997-S3000 WeakPolarHBondContact O-CB 3.23Å; L2997-S3000 PolarHBondContact O-N 2.93Å; L2997-S3000 VanDerWaalsContact O-N 3.14Å; L2997-S3000 PolarHBondContact O-OG 3.22Å; L2997-F3036 HydrophobicContact CD1-CB 4.36Å; L2997-A3089 HydrophobicContact CD2-CB 4.1Å; L2997-F3090 HydrophobicContact CD2-CE1 4.31Å; L2997-F3090 HydrophobicContact CD2-CE2 3.85Å; L2997-F3090 HydrophobicContact CD2-CZ 3.71Å; L2997-F3090 HydrophobicContact CG-CE2 4.46Å; L2997-F3090 HydrophobicContact CG-CZ 4.12Å |
| 2998 | M | 92.7 | Very high | 91.8 | Very high | 14.8 Ų | 14.8 | 19.8 Ų | 19.8 | 7% | 0.073 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.5 | -44.6 | -177.7 | -54.5 | -46.3 | 175.9 | 0 | 0 | 111.9 | E2940 A2943 V2947 R2994 Y2995 S3000 F3090 F3093 | E2940-M2998 WeakPolarHBondContact OE2-CE 3.27Å; A2943-M2998 HydrophobicContact CB-CE 4.32Å; A2943-M2998 HydrophobicContact CB-CG 3.79Å; A2943-M2998 WeakPolarHBondContact O-CB 3.38Å; V2947-M2998 HydrophobicContact CG2-CB 3.71Å; V2947-M2998 WeakPolarHBondContact CG2-O 3.42Å; R2994-M2998 WeakPolarHBondContact O-CG 3.39Å; R2994-M2998 PolarHBondContact O-N 3.29Å; Y2995-M2998 PolarHBondContact O-N 3.15Å; M2998-S3000 VanDerWaalsContact C-N 3.3Å; M2998-S3000 PolarHBondContact O-N 3.21Å; M2998-F3090 HydrophobicContact CE-CD1 4.27Å; M2998-F3090 HydrophobicContact CE-CE1 3.75Å; M2998-F3090 HydrophobicContact CE-CZ 4.28Å; M2998-F3090 HydrophobicContact SD-CE1 3.53Å; M2998-F3090 VanDerWaalsContact SD-CE1 3.53Å; M2998-F3090 HydrophobicContact SD-CZ 4.05Å; M2998-F3093 HydrophobicContact CE-CE2 4.25Å |
| 2999 | L | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -74.1 | -15.5 | -179.4 | -65.3 | 173.1 | 0 | 0 | 0 | 113.9 | V2947 A2950 V2957 V2961 Y2995 L2997 F3001 C3004 L3005 | V2947-L2999 HydrophobicContact CG2-CD2 4.44Å; A2950-L2999 HydrophobicContact CB-CD2 3.42Å; A2950-L2999 VanDerWaalsContact CB-CD2 3.41Å; V2957-L2999 HydrophobicContact CG1-CD1 4.2Å; V2957-L2999 HydrophobicContact CG1-CD2 4.31Å; V2961-L2999 HydrophobicContact CB-CD1 4.35Å; V2961-L2999 HydrophobicContact CG1-CD1 4.31Å; V2961-L2999 HydrophobicContact CG2-CD1 4.02Å; Y2995-L2999 VanDerWaalsContact O-CB 3.28Å; Y2995-L2999 WeakPolarHBondContact O-CB 3.38Å; Y2995-L2999 VanDerWaalsContact O-CG 3.24Å; Y2995-L2999 WeakPolarHBondContact O-CG 3.4Å; Y2995-L2999 PolarHBondContact O-N 3.2Å; L2997-L2999 VanDerWaalsContact C-N 3.33Å; L2997-L2999 PolarHBondContact O-N 3.05Å; L2999-F3001 VanDerWaalsContact C-N 3.25Å; L2999-F3001 PolarHBondContact O-N 3.01Å; L2999-C3004 CarbonylContact O-C 3.53Å; L2999-C3004 WeakPolarHBondContact O-CA 3.3Å; L2999-C3004 VanDerWaalsContact O-CB 3.24Å; L2999-C3004 WeakPolarHBondContact O-CB 3.37Å; L2999-C3004 PolarHBondContact O-N 3.41Å; L2999-L3005 HydrophobicContact CB-CD2 3.68Å; L2999-L3005 HydrophobicContact CB-CG 3.92Å; L2999-L3005 HydrophobicContact CD1-CD2 4.34Å; L2999-L3005 WeakPolarHBondContact O-CG 3.3Å; L2999-L3005 PolarHBondContact O-N 3.05Å |
| 3000 | S | 93.5 | Very high | 92 | Very high | 0.8 Ų | 0.8 | 21 Ų | 21 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70.1 | -20.5 | -178.6 | 65.7 | 0 | 0 | 0 | 0 | 114 | L2996 L2997 M2998 N3039 S3043 | L2996-S3000 VanDerWaalsContact O-CB 3.28Å; L2996-S3000 WeakPolarHBondContact O-CB 3.38Å; L2996-S3000 PolarHBondContact O-N 3.11Å; L2996-S3000 VanDerWaalsContact O-N 3.09Å; L2996-S3000 PolarHBondContact O-OG 3.23Å; L2997-S3000 WeakPolarHBondContact O-CB 3.23Å; L2997-S3000 PolarHBondContact O-N 2.93Å; L2997-S3000 VanDerWaalsContact O-N 3.14Å; L2997-S3000 PolarHBondContact O-OG 3.22Å; M2998-S3000 VanDerWaalsContact C-N 3.3Å; M2998-S3000 PolarHBondContact O-N 3.21Å; S3000-N3039 WeakPolarHBondContact OG-CB 3.41Å; S3000-N3039 PolarHBondContact OG-ND2 3.21Å; S3000-S3043 PolarHBondContact O-OG 3.15Å |
| 3001 | F | 92.8 | Very high | 92.2 | Very high | 127.2 Ų | 127.2 | 20.9 Ų | 20.9 | 56% | 0.558 | 11% | 0.111 | S | C | * | . | G | 310 helix | trans | -68.6 | 149.5 | 177 | -172.2 | -109.7 | 0 | 0 | 0 | 112.1 | L2999 N3003 C3004 | L2999-F3001 VanDerWaalsContact C-N 3.25Å; L2999-F3001 PolarHBondContact O-N 3.01Å; F3001-N3003 PolarHBondContact O-N 3.2Å; F3001-C3004 PolarHBondContact O-N 3.05Å; F3001-C3004 VanDerWaalsContact O-N 3.1Å |
| 3002 | N | 88.9 | Confident | 92.4 | Very high | 120.8 Ų | 120.8 | 20.8 Ų | 20.8 | 65% | 0.646 | 11% | 0.11 | S | C | * | . | G | 310 helix | trans | 47.5 | 34.2 | 176.7 | -161.6 | 20.5 | 0 | 0 | 0 | 115.3 | C3004 | N3002-C3004 VanDerWaalsContact C-N 3.27Å; N3002-C3004 PolarHBondContact O-N 3.34Å; N3002-C3004 VanDerWaalsContact O-N 3.14Å |
| 3003 | N | 90.1 | Very high | 92.6 | Very high | 11 Ų | 11 | 24.7 Ų | 24.7 | 6% | 0.059 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | 52.5 | 36.1 | -177.5 | -170.1 | 23.1 | 0 | 0 | 0 | 114.5 | K2954 F3001 L3005 D3006 I3007 S3043 S3047 | K2954-N3003 VanDerWaalsContact CD-O 3.28Å; K2954-N3003 WeakPolarHBondContact CD-O 3.34Å; K2954-N3003 PolarHBondContact NZ-O 3.03Å; F3001-N3003 PolarHBondContact O-N 3.2Å; N3003-L3005 PolarHBondContact O-N 2.98Å; N3003-D3006 PolarHBondContact O-N 3.18Å; N3003-D3006 WeakPolarHBondContact OD1-CA 3.22Å; N3003-D3006 PolarHBondContact OD1-N 3.07Å; N3003-I3007 WeakPolarHBondContact OD1-CG1 3.4Å; N3003-I3007 PolarHBondContact OD1-N 3.07Å; N3003-S3043 PolarHBondContact N-OG 3.13Å; N3003-S3047 WeakPolarHBondContact ND2-CB 3.23Å |
| 3004 | C | 90.9 | Very high | 92.8 | Very high | 12.2 Ų | 12.2 | 24.6 Ų | 24.6 | 8% | 0.082 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -8.7 | 173 | -74.5 | 0 | 0 | 0 | 0 | 113.5 | A2950 K2954 L2999 F3001 N3002 | A2950-C3004 HydrophobicContact CB-CB 4.03Å; K2954-C3004 WeakPolarHBondContact CB-O 3.34Å; L2999-C3004 CarbonylContact O-C 3.53Å; L2999-C3004 WeakPolarHBondContact O-CA 3.3Å; L2999-C3004 VanDerWaalsContact O-CB 3.24Å; L2999-C3004 WeakPolarHBondContact O-CB 3.37Å; L2999-C3004 PolarHBondContact O-N 3.41Å; F3001-C3004 PolarHBondContact O-N 3.05Å; F3001-C3004 VanDerWaalsContact O-N 3.1Å; N3002-C3004 VanDerWaalsContact C-N 3.27Å; N3002-C3004 PolarHBondContact O-N 3.34Å; N3002-C3004 VanDerWaalsContact O-N 3.14Å |
| 3005 | L | 92.3 | Very high | 93 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -4.3 | 170.6 | -72.5 | 171.1 | 0 | 0 | 0 | 115.1 | S2958 L2962 L2996 L2999 N3003 H3010 L3014 | S2958-L3005 VanDerWaalsContact CB-C 3.5Å; S2958-L3005 VanDerWaalsContact CB-O 3.22Å; S2958-L3005 WeakPolarHBondContact CB-O 3.4Å; S2958-L3005 PolarHBondContact OG-O 2.95Å; S2958-L3005 VanDerWaalsContact OG-O 3.06Å; L2962-L3005 HydrophobicContact CD1-CD2 4.4Å; L2996-L3005 HydrophobicContact CD1-CD1 3.61Å; L2996-L3005 HydrophobicContact CD1-CD2 3.85Å; L2996-L3005 HydrophobicContact CD1-CG 4.41Å; L2996-L3005 HydrophobicContact CD2-CD1 4.18Å; L2996-L3005 HydrophobicContact CD2-CD2 3.69Å; L2996-L3005 HydrophobicContact CG-CD1 4.38Å; L2999-L3005 HydrophobicContact CB-CD2 3.68Å; L2999-L3005 HydrophobicContact CB-CG 3.92Å; L2999-L3005 HydrophobicContact CD1-CD2 4.34Å; L2999-L3005 WeakPolarHBondContact O-CG 3.3Å; L2999-L3005 PolarHBondContact O-N 3.05Å; N3003-L3005 PolarHBondContact O-N 2.98Å; L3005-H3010 PolarHBondContact O-CD2 3.36Å; L3005-L3014 HydrophobicContact CB-CD1 4.35Å; L3005-L3014 HydrophobicContact CD1-CD1 4.46Å; L3005-L3014 HydrophobicContact CD1-CD2 3.8Å |
| 3006 | D | 91.1 | Very high | 93.2 | Very high | 15.4 Ų | 15.4 | 24.7 Ų | 24.7 | 8% | 0.082 | 13% | 0.125 | C | C | . | . | trans | 49.8 | 67 | -173.6 | -166.4 | 35.1 | 0 | 0 | 0 | 114.1 | K2954 Q2955 N3003 C3008 T3009 H3010 | K2954-D3006 HydrophobicContact CD-CB 4.39Å; K2954-D3006 WeakPolarHBondContact CE-OD1 3.41Å; K2954-D3006 IonicContact NZ-OD1 2.65Å; K2954-D3006 PolarHBondContact NZ-OD1 2.92Å; Q2955-D3006 HydrophobicContact CG-CB 4.42Å; Q2955-D3006 WeakPolarHBondContact CG-OD2 3.31Å; Q2955-D3006 PolarHBondContact NE2-OD2 2.71Å; N3003-D3006 PolarHBondContact O-N 3.18Å; N3003-D3006 WeakPolarHBondContact OD1-CA 3.22Å; N3003-D3006 PolarHBondContact OD1-N 3.07Å; D3006-C3008 PolarHBondContact O-N 3.21Å; D3006-C3008 VanDerWaalsContact O-N 3.13Å; D3006-T3009 PolarHBondContact O-N 3.18Å; D3006-T3009 VanDerWaalsContact OD2-CB 3.26Å; D3006-T3009 WeakPolarHBondContact OD2-CB 3.43Å; D3006-T3009 PolarHBondContact OD2-OG1 3.04Å; D3006-H3010 PolarHBondContact O-N 3.05Å | ||
| 3007 | I | 91.7 | Very high | 93.3 | Very high | 1.6 Ų | 1.6 | 24.7 Ų | 24.7 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.4 | -32.8 | -170.7 | -67.6 | 163.5 | 0 | 0 | 0 | 112.9 | N3003 T3009 H3010 L3011 L3014 V3040 L3044 | N3003-I3007 WeakPolarHBondContact OD1-CG1 3.4Å; N3003-I3007 PolarHBondContact OD1-N 3.07Å; I3007-T3009 PolarHBondContact O-N 3.23Å; I3007-T3009 VanDerWaalsContact O-N 3.12Å; I3007-H3010 PolarHBondContact O-N 3.31Å; I3007-H3010 VanDerWaalsContact O-N 3.1Å; I3007-L3011 HydrophobicContact CG2-CB 3.93Å; I3007-L3011 HydrophobicContact CG2-CD1 3.67Å; I3007-L3011 HydrophobicContact CG2-CG 4.31Å; I3007-L3011 WeakPolarHBondContact O-CB 3.43Å; I3007-L3011 PolarHBondContact O-N 3.24Å; I3007-L3014 HydrophobicContact CG1-CD1 4.03Å; I3007-V3040 HydrophobicContact CD1-CB 4.41Å; I3007-V3040 HydrophobicContact CD1-CG1 4.15Å; I3007-V3040 HydrophobicContact CD1-CG2 4.43Å; I3007-V3040 HydrophobicContact CG1-CG1 4.41Å; I3007-V3040 HydrophobicContact CG2-CG1 4.46Å; I3007-L3044 HydrophobicContact CG2-CD2 3.62Å; I3007-L3044 HydrophobicContact CG2-CG 4.17Å |
| 3008 | C | 89.2 | Confident | 93.3 | Very high | 32 Ų | 32 | 24.5 Ų | 24.5 | 22% | 0.216 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56 | -30.4 | 176.9 | -66.2 | 0 | 0 | 0 | 0 | 113.3 | D3006 W3342 | D3006-C3008 PolarHBondContact O-N 3.21Å; D3006-C3008 VanDerWaalsContact O-N 3.13Å; C3008-W3342 PolarHBondContact O-NE1 2.96Å |
| 3009 | T | 91.1 | Very high | 93.5 | Very high | 72.6 Ų | 72.6 | 23.8 Ų | 23.8 | 45% | 0.445 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -98.6 | -18 | -178.8 | -50.6 | 0 | 0 | 0 | 0 | 112.1 | D3006 I3007 | D3006-T3009 PolarHBondContact O-N 3.18Å; D3006-T3009 VanDerWaalsContact OD2-CB 3.26Å; D3006-T3009 WeakPolarHBondContact OD2-CB 3.43Å; D3006-T3009 PolarHBondContact OD2-OG1 3.04Å; I3007-T3009 PolarHBondContact O-N 3.23Å; I3007-T3009 VanDerWaalsContact O-N 3.12Å |
| 3010 | H | 94 | Very high | 93.5 | Very high | 11 Ų | 11 | 23.9 Ų | 23.9 | 5% | 0.051 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -132.1 | -4.1 | -162.8 | -70.8 | -18.2 | 0 | 0 | 0 | 116.8 | S2958 K2959 L2962 L3005 D3006 I3007 P3012 R3013 L3014 | S2958-H3010 PolarHBondContact OG-CD2 2.99Å; K2959-H3010 WeakPolarHBondContact CA-NE2 3.38Å; L2962-H3010 HydrophobicContact CD1-CB 3.8Å; L2962-H3010 WeakPolarHBondContact CD1-CD2 3.41Å; L3005-H3010 PolarHBondContact O-CD2 3.36Å; D3006-H3010 PolarHBondContact O-N 3.05Å; I3007-H3010 PolarHBondContact O-N 3.31Å; I3007-H3010 VanDerWaalsContact O-N 3.1Å; H3010-P3012 VanDerWaalsContact C-CD 3.45Å; H3010-R3013 WeakPolarHBondContact O-CB 3.39Å; H3010-R3013 PolarHBondContact O-N 3.36Å; H3010-L3014 HydrophobicContact CB-CD1 4.38Å; H3010-L3014 HydrophobicContact CB-CG 4.48Å; H3010-L3014 WeakPolarHBondContact O-CG 3.35Å; H3010-L3014 PolarHBondContact O-N 3.16Å; H3010-L3014 VanDerWaalsContact O-N 3.09Å |
| 3011 | L | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -47.7 | -45.4 | 179.9 | -169.4 | 72.3 | 0 | 0 | 0 | 114.7 | I3007 R3013 L3014 F3015 V3040 L3044 M3329 W3342 | I3007-L3011 HydrophobicContact CG2-CB 3.93Å; I3007-L3011 HydrophobicContact CG2-CD1 3.67Å; I3007-L3011 HydrophobicContact CG2-CG 4.31Å; I3007-L3011 WeakPolarHBondContact O-CB 3.43Å; I3007-L3011 PolarHBondContact O-N 3.24Å; L3011-R3013 VanDerWaalsContact C-N 3.28Å; L3011-R3013 PolarHBondContact O-N 3.01Å; L3011-L3014 PolarHBondContact O-N 3.25Å; L3011-L3014 VanDerWaalsContact O-N 3.14Å; L3011-F3015 HydrophobicContact CD1-CD1 3.99Å; L3011-F3015 HydrophobicContact CD1-CE1 3.52Å; L3011-F3015 HydrophobicContact CD1-CE2 4.19Å; L3011-F3015 HydrophobicContact CD1-CZ 3.64Å; L3011-F3015 HydrophobicContact CD2-CE2 4.27Å; L3011-F3015 HydrophobicContact CD2-CZ 4.37Å; L3011-F3015 HydrophobicContact CG-CD1 4.46Å; L3011-F3015 HydrophobicContact CG-CD2 4.42Å; L3011-F3015 HydrophobicContact CG-CE1 4.31Å; L3011-F3015 HydrophobicContact CG-CE2 4.22Å; L3011-F3015 HydrophobicContact CG-CZ 4.18Å; L3011-F3015 PolarHBondContact O-N 3.13Å; L3011-V3040 HydrophobicContact CD1-CG1 3.66Å; L3011-L3044 HydrophobicContact CD1-CD1 4.06Å; L3011-L3044 HydrophobicContact CD1-CD2 4.49Å; L3011-L3044 HydrophobicContact CD1-CG 4.5Å; L3011-L3044 HydrophobicContact CD2-CD1 4.3Å; L3011-L3044 HydrophobicContact CD2-CD2 4.39Å; L3011-M3329 HydrophobicContact CD2-CE 4.12Å; L3011-M3329 HydrophobicContact CG-CE 4.27Å; L3011-W3342 HydrophobicContact CB-CD2 4.43Å; L3011-W3342 HydrophobicContact CB-CE3 4.45Å; L3011-W3342 HydrophobicContact CB-CZ3 4.5Å; L3011-W3342 HydrophobicContact CD2-CD2 4.28Å; L3011-W3342 HydrophobicContact CD2-CE3 3.56Å; L3011-W3342 HydrophobicContact CD2-CH2 4.04Å; L3011-W3342 HydrophobicContact CD2-CZ3 3.41Å; L3011-W3342 VanDerWaalsContact CD2-CZ3 3.41Å |
| 3012 | P | 95.4 | Very high | 93.5 | Very high | 0.6 Ų | 0.6 | 17.8 Ų | 17.8 | 0% | 0.004 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.1 | -36.7 | 178.5 | -26 | 36.7 | 0 | 0 | 0 | 113.5 | H3010 H3016 W3342 Q3345 W3346 | H3010-P3012 VanDerWaalsContact C-CD 3.45Å; P3012-H3016 VanDerWaalsContact O-CB 3.24Å; P3012-H3016 WeakPolarHBondContact O-CB 3.36Å; P3012-H3016 PolarHBondContact O-N 3.32Å; P3012-H3016 VanDerWaalsContact O-N 3.09Å; P3012-W3342 HydrophobicContact CG-CB 3.69Å; P3012-W3342 HydrophobicContact CG-CG 3.77Å; P3012-W3342 WeakPolarHBondContact CG-O 3.3Å; P3012-Q3345 HydrophobicContact CB-CB 4.02Å; P3012-Q3345 HydrophobicContact CG-CB 4.2Å; P3012-W3346 HydrophobicContact CB-CB 4.14Å |
| 3013 | R | 95.5 | Very high | 93.5 | Very high | 84 Ų | 84 | 12.6 Ų | 12.6 | 32% | 0.317 | 7% | 0.067 | S | C | . | . | H | α-helix | trans | -74.1 | -38.1 | 178.1 | -61.9 | -177.3 | -179.2 | -157.8 | -3 | 111.2 | H3010 L3011 H3016 I3017 L3349 | H3010-R3013 WeakPolarHBondContact O-CB 3.39Å; H3010-R3013 PolarHBondContact O-N 3.36Å; L3011-R3013 VanDerWaalsContact C-N 3.28Å; L3011-R3013 PolarHBondContact O-N 3.01Å; R3013-H3016 PolarHBondContact O-N 3.09Å; R3013-I3017 WeakPolarHBondContact O-CB 3.34Å; R3013-I3017 WeakPolarHBondContact O-CD1 3.36Å; R3013-I3017 WeakPolarHBondContact O-CG1 3.34Å; R3013-I3017 PolarHBondContact O-N 3.07Å; R3013-L3349 HydrophobicContact CG-CD1 4.07Å |
| 3014 | L | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.7 | -45 | 178.4 | -64.4 | 170.5 | 0 | 0 | 0 | 111.5 | L2962 L2996 L3005 I3007 H3010 L3011 I3017 A3018 F3036 V3040 | L2962-L3014 HydrophobicContact CD1-CD2 4.23Å; L2962-L3014 HydrophobicContact CD2-CD2 3.75Å; L2996-L3014 HydrophobicContact CD1-CD2 3.81Å; L3005-L3014 HydrophobicContact CB-CD1 4.35Å; L3005-L3014 HydrophobicContact CD1-CD1 4.46Å; L3005-L3014 HydrophobicContact CD1-CD2 3.8Å; I3007-L3014 HydrophobicContact CG1-CD1 4.03Å; H3010-L3014 HydrophobicContact CB-CD1 4.38Å; H3010-L3014 HydrophobicContact CB-CG 4.48Å; H3010-L3014 WeakPolarHBondContact O-CG 3.35Å; H3010-L3014 PolarHBondContact O-N 3.16Å; H3010-L3014 VanDerWaalsContact O-N 3.09Å; L3011-L3014 PolarHBondContact O-N 3.25Å; L3011-L3014 VanDerWaalsContact O-N 3.14Å; L3014-I3017 PolarHBondContact O-N 3.19Å; L3014-A3018 WeakPolarHBondContact O-CB 3.44Å; L3014-A3018 PolarHBondContact O-N 3.33Å; L3014-F3036 HydrophobicContact CB-CE2 4.34Å; L3014-F3036 HydrophobicContact CD2-CE2 4.31Å; L3014-V3040 HydrophobicContact CD1-CG1 4.34Å; L3014-V3040 HydrophobicContact CD1-CG2 3.98Å |
| 3015 | F | 97 | Very high | 93.4 | Very high | 2.2 Ų | 2.2 | 11.8 Ų | 11.8 | 1% | 0.01 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -69.6 | -35.7 | 176.2 | -73.8 | 4.2 | 0 | 0 | 0 | 112.5 | L3011 A3018 T3019 V3040 L3325 I3328 M3329 W3346 | L3011-F3015 HydrophobicContact CD1-CD1 3.99Å; L3011-F3015 HydrophobicContact CD1-CE1 3.52Å; L3011-F3015 HydrophobicContact CD1-CE2 4.19Å; L3011-F3015 HydrophobicContact CD1-CZ 3.64Å; L3011-F3015 HydrophobicContact CD2-CE2 4.27Å; L3011-F3015 HydrophobicContact CD2-CZ 4.37Å; L3011-F3015 HydrophobicContact CG-CD1 4.46Å; L3011-F3015 HydrophobicContact CG-CD2 4.42Å; L3011-F3015 HydrophobicContact CG-CE1 4.31Å; L3011-F3015 HydrophobicContact CG-CE2 4.22Å; L3011-F3015 HydrophobicContact CG-CZ 4.18Å; L3011-F3015 PolarHBondContact O-N 3.13Å; F3015-A3018 WeakPolarHBondContact O-CB 3.12Å; F3015-A3018 PolarHBondContact O-N 3.25Å; F3015-T3019 WeakPolarHBondContact O-CB 3.35Å; F3015-T3019 WeakPolarHBondContact O-CG2 3.33Å; F3015-T3019 PolarHBondContact O-N 3.26Å; F3015-T3019 PolarHBondContact O-OG1 3.21Å; F3015-T3019 VanDerWaalsContact O-OG1 3.06Å; F3015-V3040 HydrophobicContact CE1-CG1 4.04Å; F3015-L3325 HydrophobicContact CD1-CD2 4.09Å; F3015-L3325 HydrophobicContact CD2-CB 3.93Å; F3015-L3325 HydrophobicContact CD2-CD2 4.4Å; F3015-L3325 HydrophobicContact CE1-CD2 3.77Å; F3015-L3325 HydrophobicContact CE2-CB 4Å; F3015-L3325 HydrophobicContact CE2-CD2 4.12Å; F3015-L3325 VanDerWaalsContact CE2-O 3.3Å; F3015-L3325 WeakPolarHBondContact CE2-O 3.42Å; F3015-L3325 HydrophobicContact CG-CB 4.42Å; F3015-L3325 HydrophobicContact CG-CD1 4.43Å; F3015-L3325 HydrophobicContact CG-CD2 4.39Å; F3015-L3325 HydrophobicContact CZ-CD2 3.79Å; F3015-I3328 HydrophobicContact CE2-CG2 4.37Å; F3015-I3328 HydrophobicContact CZ-CG2 3.98Å; F3015-M3329 HydrophobicContact CD2-CE 3.85Å; F3015-M3329 HydrophobicContact CE2-CB 4.23Å; F3015-M3329 HydrophobicContact CE2-CE 4.32Å; F3015-W3346 HydrophobicContact CB-CD2 4.36Å; F3015-W3346 HydrophobicContact CB-CH2 4.25Å; F3015-W3346 HydrophobicContact CB-CZ2 3.91Å; F3015-W3346 HydrophobicContact CD2-CE3 4.45Å; F3015-W3346 HydrophobicContact CD2-CH2 4.15Å; F3015-W3346 AromaticContact CD2-CZ3 4Å; F3015-W3346 HydrophobicContact CD2-CZ3 4.04Å |
| 3016 | H | 96.4 | Very high | 93.3 | Very high | 7.4 Ų | 7.4 | 14.6 Ų | 14.6 | 3% | 0.034 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64 | -42.4 | 172.3 | -176.5 | 59.3 | 0 | 0 | 0 | 112.8 | P3012 R3013 T3019 L3020 L3349 F3353 | P3012-H3016 VanDerWaalsContact O-CB 3.24Å; P3012-H3016 WeakPolarHBondContact O-CB 3.36Å; P3012-H3016 PolarHBondContact O-N 3.32Å; P3012-H3016 VanDerWaalsContact O-N 3.09Å; R3013-H3016 PolarHBondContact O-N 3.09Å; H3016-T3019 PolarHBondContact O-OG1 3.15Å; H3016-L3020 WeakPolarHBondContact O-CB 3.34Å; H3016-L3020 WeakPolarHBondContact O-CG 3.37Å; H3016-L3020 PolarHBondContact O-N 3.12Å; H3016-L3349 HydrophobicContact CB-CD1 4.26Å; H3016-L3349 PolarHBondContact CE1-O 3.19Å; H3016-F3353 AromaticContact CE1-CD2 3.6Å; H3016-F3353 AromaticContact NE2-CD2 3.3Å; H3016-F3353 VanDerWaalsContact NE2-CD2 3.3Å; H3016-F3353 WeakPolarHBondContact NE2-CD2 3.34Å; H3016-F3353 AromaticContact NE2-CE2 3.35Å; H3016-F3353 VanDerWaalsContact NE2-CE2 3.34Å; H3016-F3353 WeakPolarHBondContact NE2-CE2 3.36Å |
| 3017 | I | 96.1 | Very high | 93.1 | Very high | 0.4 Ų | 0.4 | 17.8 Ų | 17.8 | 0% | 0.002 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65 | -42.4 | 174.9 | -70.3 | 162.9 | 0 | 0 | 0 | 110.7 | L2962 L2965 I2969 L2993 L2996 R3013 L3014 L3020 L3021 F3036 | L2962-I3017 HydrophobicContact CD2-CD1 3.62Å; L2965-I3017 HydrophobicContact CD2-CD1 4.04Å; L2965-I3017 HydrophobicContact CD2-CG2 4.18Å; L2965-I3017 HydrophobicContact CG-CD1 4.44Å; I2969-I3017 HydrophobicContact CD1-CG1 4.29Å; L2993-I3017 HydrophobicContact CD2-CG2 4.05Å; L2996-I3017 HydrophobicContact CD1-CD1 4.3Å; L2996-I3017 HydrophobicContact CD1-CG2 4Å; L2996-I3017 HydrophobicContact CD2-CG2 3.82Å; R3013-I3017 WeakPolarHBondContact O-CB 3.34Å; R3013-I3017 WeakPolarHBondContact O-CD1 3.36Å; R3013-I3017 WeakPolarHBondContact O-CG1 3.34Å; R3013-I3017 PolarHBondContact O-N 3.07Å; L3014-I3017 PolarHBondContact O-N 3.19Å; I3017-L3020 PolarHBondContact O-N 3.45Å; I3017-L3021 HydrophobicContact CG2-CD1 4.04Å; I3017-L3021 WeakPolarHBondContact O-CB 3.32Å; I3017-L3021 WeakPolarHBondContact O-CG 3.23Å; I3017-L3021 PolarHBondContact O-N 3.24Å; I3017-F3036 HydrophobicContact CG2-CE1 4.47Å; I3017-F3036 HydrophobicContact CG2-CZ 4.23Å |
| 3018 | A | 95.7 | Very high | 93 | Very high | 0.2 Ų | 0.2 | 19.6 Ų | 19.6 | 0% | 0.002 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.7 | -50.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L3014 F3015 L3020 L3021 V3022 F3036 V3037 | L3014-A3018 WeakPolarHBondContact O-CB 3.44Å; L3014-A3018 PolarHBondContact O-N 3.33Å; F3015-A3018 WeakPolarHBondContact O-CB 3.12Å; F3015-A3018 PolarHBondContact O-N 3.25Å; A3018-L3020 PolarHBondContact O-N 3.24Å; A3018-L3021 PolarHBondContact O-N 3.2Å; A3018-V3022 WeakPolarHBondContact O-CB 3.46Å; A3018-V3022 PolarHBondContact O-N 2.99Å; A3018-F3036 HydrophobicContact CB-CE1 4.31Å; A3018-F3036 HydrophobicContact CB-CE2 4.13Å; A3018-F3036 HydrophobicContact CB-CZ 3.78Å; A3018-V3037 HydrophobicContact CB-CG2 3.61Å |
| 3019 | T | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -70.5 | -31.3 | -178.2 | 50.4 | 0 | 0 | 0 | 0 | 113.3 | F3015 H3016 L3318 T3322 L3325 W3346 V3368 | F3015-T3019 WeakPolarHBondContact O-CB 3.35Å; F3015-T3019 WeakPolarHBondContact O-CG2 3.33Å; F3015-T3019 PolarHBondContact O-N 3.26Å; F3015-T3019 PolarHBondContact O-OG1 3.21Å; F3015-T3019 VanDerWaalsContact O-OG1 3.06Å; H3016-T3019 PolarHBondContact O-OG1 3.15Å; T3019-L3318 HydrophobicContact CG2-CD1 4.39Å; T3019-L3318 WeakPolarHBondContact O-CD1 3.36Å; T3019-T3322 HydrophobicContact CG2-CG2 4.46Å; T3019-L3325 HydrophobicContact CG2-CD1 3.84Å; T3019-W3346 HydrophobicContact CG2-CZ2 4.19Å; T3019-V3368 VanDerWaalsContact CB-CG2 3.5Å; T3019-V3368 HydrophobicContact CG2-CG2 4.15Å; T3019-V3368 WeakPolarHBondContact OG1-CG2 3.32Å |
| 3020 | L | 93.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -70.5 | -36.8 | 171.6 | -73.8 | -176.2 | 0 | 0 | 0 | 113 | I2969 H3016 I3017 A3018 F3353 L3361 R3364 A3365 | I2969-L3020 HydrophobicContact CG2-CD1 4.04Å; H3016-L3020 WeakPolarHBondContact O-CB 3.34Å; H3016-L3020 WeakPolarHBondContact O-CG 3.37Å; H3016-L3020 PolarHBondContact O-N 3.12Å; I3017-L3020 PolarHBondContact O-N 3.45Å; A3018-L3020 PolarHBondContact O-N 3.24Å; L3020-F3353 HydrophobicContact CD1-CD2 4.37Å; L3020-F3353 HydrophobicContact CD1-CE2 4.41Å; L3020-F3353 HydrophobicContact CD1-CG 4.46Å; L3020-L3361 HydrophobicContact CB-CD2 4.45Å; L3020-L3361 HydrophobicContact CD2-CB 4.47Å; L3020-L3361 HydrophobicContact CD2-CD2 4.48Å; L3020-R3364 HydrophobicContact CD2-CB 4.3Å; L3020-R3364 VanDerWaalsContact O-CD 3.24Å; L3020-R3364 WeakPolarHBondContact O-CD 3.25Å; L3020-R3364 PolarHBondContact O-NH1 3.19Å; L3020-A3365 HydrophobicContact CD2-CB 4.21Å |
| 3021 | L | 93.4 | Very high | 93.1 | Very high | 0.2 Ų | 0.2 | 15.6 Ų | 15.6 | 0% | 0.001 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -113.1 | 2.5 | -165.3 | -54.6 | -178.9 | 0 | 0 | 0 | 115.5 | I2969 L2980 L2993 I3017 A3018 T3024 L3361 | I2969-L3021 HydrophobicContact CD1-CD1 3.95Å; L2980-L3021 HydrophobicContact CD2-CD2 3.31Å; L2993-L3021 HydrophobicContact CD1-CB 4.48Å; L2993-L3021 HydrophobicContact CD1-CD1 4.01Å; L2993-L3021 HydrophobicContact CD2-CD1 3.91Å; L2993-L3021 HydrophobicContact CG-CD1 4.42Å; I3017-L3021 HydrophobicContact CG2-CD1 4.04Å; I3017-L3021 WeakPolarHBondContact O-CB 3.32Å; I3017-L3021 WeakPolarHBondContact O-CG 3.23Å; I3017-L3021 PolarHBondContact O-N 3.24Å; A3018-L3021 PolarHBondContact O-N 3.2Å; L3021-T3024 PolarHBondContact O-N 3.2Å; L3021-T3024 PolarHBondContact O-OG1 3.14Å; L3021-L3361 HydrophobicContact CD2-CD2 4.38Å |
| 3022 | V | 93.3 | Very high | 93 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 140.2 | 169.6 | 63.9 | 0 | 0 | 0 | 0 | 111.4 | A3018 T3024 V3033 V3076 F3077 L3313 L3318 L3321 R3364 | A3018-V3022 WeakPolarHBondContact O-CB 3.46Å; A3018-V3022 PolarHBondContact O-N 2.99Å; V3022-T3024 VanDerWaalsContact C-N 3.34Å; V3022-T3024 PolarHBondContact O-N 2.97Å; V3022-V3033 HydrophobicContact CB-CG1 4.39Å; V3022-V3076 WeakPolarHBondContact CG2-O 3.44Å; V3022-F3077 HydrophobicContact CG2-CB 4.33Å; V3022-F3077 HydrophobicContact CG2-CD1 3.77Å; V3022-F3077 HydrophobicContact CG2-CD2 4.42Å; V3022-F3077 HydrophobicContact CG2-CE1 4.2Å; V3022-F3077 HydrophobicContact CG2-CG 3.94Å; V3022-L3313 HydrophobicContact CG1-CD1 4.28Å; V3022-L3313 HydrophobicContact CG1-CD2 3.64Å; V3022-L3318 HydrophobicContact CG1-CD1 4.12Å; V3022-L3321 HydrophobicContact CB-CD2 4.04Å; V3022-L3321 HydrophobicContact CG1-CD2 3.88Å; V3022-L3321 HydrophobicContact CG2-CD2 4Å; V3022-R3364 PolarHBondContact O-NH1 3.05Å |
| 3023 | C | 89.9 | Confident | 93 | Very high | 11 Ų | 11 | 15.6 Ų | 15.6 | 7% | 0.074 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 53.3 | -171.8 | -147 | 0 | 0 | 0 | 0 | 113.1 | R3030 V3076 F3077 G3078 L3313 R3364 | C3023-R3030 PolarHBondContact SG-NH1 2.9Å; C3023-R3030 VanDerWaalsContact SG-NH1 3.42Å; C3023-V3076 PolarHBondContact SG-O 2.93Å; C3023-V3076 VanDerWaalsContact SG-O 3.36Å; C3023-F3077 PolarHBondContact SG-O 2.9Å; C3023-G3078 VanDerWaalsContact SG-CA 3.59Å; C3023-G3078 PolarHBondContact SG-N 3.14Å; C3023-L3313 HydrophobicContact CB-CB 4.27Å; C3023-L3313 HydrophobicContact CB-CD1 4.01Å; C3023-R3364 PolarHBondContact O-NH2 3.22Å |
| 3024 | T | 89.9 | Confident | 92.9 | Very high | 6.2 Ų | 6.2 | 11.9 Ų | 11.9 | 4% | 0.038 | 7% | 0.068 | C | C | . | . | trans | -124.5 | 147.9 | 167.1 | 63.8 | 0 | 0 | 0 | 0 | 110.3 | L3021 V3022 L3029 R3030 | L3021-T3024 PolarHBondContact O-N 3.2Å; L3021-T3024 PolarHBondContact O-OG1 3.14Å; V3022-T3024 VanDerWaalsContact C-N 3.34Å; V3022-T3024 PolarHBondContact O-N 2.97Å; T3024-L3029 VanDerWaalsContact O-CD2 3.22Å; T3024-L3029 WeakPolarHBondContact O-CD2 3.36Å; T3024-R3030 VanDerWaalsContact O-CG 3.29Å; T3024-R3030 WeakPolarHBondContact O-CG 3.33Å | ||
| 3025 | G | 88.6 | Confident | 92.8 | Very high | 1.4 Ų | 1.4 | 12.6 Ų | 12.6 | 1% | 0.014 | 8% | 0.075 | C | C | . | . | S | Bend | trans | 73.8 | -170.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | E2981 R3030 | E2981-G3025 VanDerWaalsContact CD-CA 3.45Å; E2981-G3025 VanDerWaalsContact CD-N 3.29Å; E2981-G3025 WeakPolarHBondContact OE1-CA 3.34Å; E2981-G3025 PolarHBondContact OE1-N 3.03Å; G3025-R3030 PolarHBondContact O-NE 3.18Å; G3025-R3030 PolarHBondContact O-NH2 3.45Å |
| 3026 | P | 89.2 | Confident | 92.7 | Very high | 59 Ų | 59 | 12.6 Ų | 12.6 | 38% | 0.383 | 8% | 0.075 | S | C | . | . | S | Bend | trans | -68.1 | 163.7 | 179.4 | 29.7 | -36.2 | 0 | 0 | 0 | 112 | L2934 S3028 L3029 R3030 | L2934-P3026 HydrophobicContact CD2-CG 4.04Å; P3026-S3028 VanDerWaalsContact C-N 3.25Å; P3026-S3028 PolarHBondContact O-N 3.24Å; P3026-S3028 VanDerWaalsContact O-N 3.11Å; P3026-L3029 HydrophobicContact CG-CB 4.15Å; P3026-L3029 WeakPolarHBondContact O-CA 3.32Å; P3026-L3029 WeakPolarHBondContact O-CB 3.35Å; P3026-L3029 PolarHBondContact O-N 3.07Å; P3026-R3030 PolarHBondContact O-N 3.15Å; P3026-R3030 VanDerWaalsContact O-N 3.07Å |
| 3027 | L | 88.2 | Confident | 92.7 | Very high | 83.4 Ų | 83.4 | 12.4 Ų | 12.4 | 44% | 0.437 | 7% | 0.074 | S | C | . | . | H | α-helix | trans | -51.8 | -38.4 | -175.4 | -172.3 | 68.5 | 0 | 0 | 0 | 113.9 | L3029 R3030 A3031 I3079 V3082 | L3027-L3029 VanDerWaalsContact C-N 3.33Å; L3027-L3029 PolarHBondContact O-N 3.16Å; L3027-R3030 PolarHBondContact O-N 3.15Å; L3027-A3031 WeakPolarHBondContact O-CB 3.3Å; L3027-A3031 PolarHBondContact O-N 2.92Å; L3027-I3079 HydrophobicContact CD1-CB 4.38Å; L3027-I3079 HydrophobicContact CD1-CG2 4.04Å; L3027-V3082 HydrophobicContact CD1-CG2 3.84Å; L3027-V3082 HydrophobicContact CD2-CG2 3.87Å; L3027-V3082 HydrophobicContact CG-CG2 4.09Å |
| 3028 | S | 89 | Confident | 92.7 | Very high | 39.4 Ų | 39.4 | 13.9 Ų | 13.9 | 28% | 0.276 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -64.6 | -35.1 | 176.5 | 53.6 | 0 | 0 | 0 | 0 | 113 | P3026 S3032 S3088 | P3026-S3028 VanDerWaalsContact C-N 3.25Å; P3026-S3028 PolarHBondContact O-N 3.24Å; P3026-S3028 VanDerWaalsContact O-N 3.11Å; S3028-S3032 PolarHBondContact O-N 3.07Å; S3028-S3032 PolarHBondContact O-OG 3.22Å; S3028-S3088 VanDerWaalsContact CA-O 3.31Å; S3028-S3088 WeakPolarHBondContact CA-O 3.37Å; S3028-S3088 WeakPolarHBondContact CB-O 3.36Å |
| 3029 | L | 91.2 | Very high | 92.6 | Very high | 0.8 Ų | 0.8 | 15.7 Ų | 15.7 | 0% | 0.004 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -74.8 | -40.3 | 176.1 | -162.1 | 98 | 0 | 0 | 0 | 111.2 | L2934 W2986 A2990 L2993 R2994 T3024 P3026 L3027 A3031 S3032 V3033 | L2934-L3029 HydrophobicContact CD1-CD1 4.35Å; L2934-L3029 HydrophobicContact CD2-CD1 4.15Å; W2986-L3029 HydrophobicContact CH2-CD1 4.2Å; W2986-L3029 HydrophobicContact CH2-CD2 3.74Å; W2986-L3029 VanDerWaalsContact CH2-CD2 3.46Å; W2986-L3029 HydrophobicContact CZ2-CD1 4.12Å; W2986-L3029 HydrophobicContact CZ2-CD2 3.9Å; W2986-L3029 VanDerWaalsContact CZ2-CD2 3.43Å; A2990-L3029 HydrophobicContact CB-CD1 4.01Å; A2990-L3029 HydrophobicContact CB-CD2 3.95Å; L2993-L3029 HydrophobicContact CB-CD1 4.09Å; L2993-L3029 HydrophobicContact CD1-CD1 4.17Å; L2993-L3029 HydrophobicContact CD1-CD2 3.89Å; L2993-L3029 HydrophobicContact CD1-CG 4.11Å; R2994-L3029 HydrophobicContact CG-CD1 4.49Å; T3024-L3029 VanDerWaalsContact O-CD2 3.22Å; T3024-L3029 WeakPolarHBondContact O-CD2 3.36Å; P3026-L3029 HydrophobicContact CG-CB 4.15Å; P3026-L3029 WeakPolarHBondContact O-CA 3.32Å; P3026-L3029 WeakPolarHBondContact O-CB 3.35Å; P3026-L3029 PolarHBondContact O-N 3.07Å; L3027-L3029 VanDerWaalsContact C-N 3.33Å; L3027-L3029 PolarHBondContact O-N 3.16Å; L3029-A3031 VanDerWaalsContact C-N 3.35Å; L3029-A3031 PolarHBondContact O-N 3.25Å; L3029-S3032 CarbonylContact O-C 3.47Å; L3029-S3032 WeakPolarHBondContact O-CA 3.38Å; L3029-S3032 VanDerWaalsContact O-CB 3.23Å; L3029-S3032 WeakPolarHBondContact O-CB 3.38Å; L3029-S3032 PolarHBondContact O-N 3.16Å; L3029-V3033 HydrophobicContact CD2-CG2 4.47Å; L3029-V3033 WeakPolarHBondContact O-CG2 3.37Å; L3029-V3033 PolarHBondContact O-N 3.09Å |
| 3030 | R | 92.4 | Very high | 92.6 | Very high | 30.6 Ų | 30.6 | 15.8 Ų | 15.8 | 12% | 0.115 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.3 | -45.6 | 172.1 | -59.2 | -179 | -167.1 | -169.4 | -1.6 | 111.7 | C3023 T3024 G3025 P3026 L3027 S3032 V3033 H3034 G3078 I3079 E3311 | C3023-R3030 PolarHBondContact SG-NH1 2.9Å; C3023-R3030 VanDerWaalsContact SG-NH1 3.42Å; T3024-R3030 VanDerWaalsContact O-CG 3.29Å; T3024-R3030 WeakPolarHBondContact O-CG 3.33Å; G3025-R3030 PolarHBondContact O-NE 3.18Å; G3025-R3030 PolarHBondContact O-NH2 3.45Å; P3026-R3030 PolarHBondContact O-N 3.15Å; P3026-R3030 VanDerWaalsContact O-N 3.07Å; L3027-R3030 PolarHBondContact O-N 3.15Å; R3030-S3032 VanDerWaalsContact C-N 3.27Å; R3030-S3032 PolarHBondContact O-N 3.18Å; R3030-V3033 PolarHBondContact O-N 3.19Å; R3030-V3033 VanDerWaalsContact O-N 3.14Å; R3030-H3034 PolarHBondContact O-N 3.15Å; R3030-H3034 VanDerWaalsContact O-N 3.07Å; R3030-G3078 VanDerWaalsContact CD-O 3.26Å; R3030-G3078 WeakPolarHBondContact CD-O 3.42Å; R3030-G3078 PolarHBondContact NH1-O 2.97Å; R3030-G3078 VanDerWaalsContact NH1-O 3.15Å; R3030-I3079 HydrophobicContact CB-CG2 3.65Å; R3030-E3311 IonicContact NH1-OE2 3.28Å |
| 3031 | A | 92.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.5 | -28.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L3027 L3029 G3035 I3079 A3089 | L3027-A3031 WeakPolarHBondContact O-CB 3.3Å; L3027-A3031 PolarHBondContact O-N 2.92Å; L3029-A3031 VanDerWaalsContact C-N 3.35Å; L3029-A3031 PolarHBondContact O-N 3.25Å; A3031-G3035 PolarHBondContact O-N 3.25Å; A3031-I3079 HydrophobicContact CB-CG2 4.43Å; A3031-A3089 HydrophobicContact CB-CB 3.95Å |
| 3032 | S | 93.7 | Very high | 92.7 | Very high | 0.2 Ų | 0.2 | 19.3 Ų | 19.3 | 0% | 0.001 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.8 | -40.1 | 171.2 | -52.1 | 0 | 0 | 0 | 0 | 112.1 | R2994 S3028 L3029 R3030 G3035 F3036 | R2994-S3032 PolarHBondContact NH1-OG 3.22Å; S3028-S3032 PolarHBondContact O-N 3.07Å; S3028-S3032 PolarHBondContact O-OG 3.22Å; L3029-S3032 CarbonylContact O-C 3.47Å; L3029-S3032 WeakPolarHBondContact O-CA 3.38Å; L3029-S3032 VanDerWaalsContact O-CB 3.23Å; L3029-S3032 WeakPolarHBondContact O-CB 3.38Å; L3029-S3032 PolarHBondContact O-N 3.16Å; R3030-S3032 VanDerWaalsContact C-N 3.27Å; R3030-S3032 PolarHBondContact O-N 3.18Å; S3032-G3035 PolarHBondContact O-N 3.27Å; S3032-F3036 WeakPolarHBondContact O-CD1 3.46Å; S3032-F3036 PolarHBondContact O-N 3.17Å |
| 3033 | V | 94.3 | Very high | 92.7 | Very high | 0.4 Ų | 0.4 | 19.3 Ų | 19.3 | 0% | 0.002 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66 | -41.5 | 176.9 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | L2993 V3022 L3029 R3030 F3036 V3037 F3077 | L2993-V3033 HydrophobicContact CD1-CG2 4.46Å; L2993-V3033 HydrophobicContact CD2-CG2 4.49Å; V3022-V3033 HydrophobicContact CB-CG1 4.39Å; L3029-V3033 HydrophobicContact CD2-CG2 4.47Å; L3029-V3033 WeakPolarHBondContact O-CG2 3.37Å; L3029-V3033 PolarHBondContact O-N 3.09Å; R3030-V3033 PolarHBondContact O-N 3.19Å; R3030-V3033 VanDerWaalsContact O-N 3.14Å; V3033-F3036 HydrophobicContact CB-CD1 4.5Å; V3033-F3036 HydrophobicContact CB-CE1 4.21Å; V3033-F3036 HydrophobicContact CG1-CE1 4.02Å; V3033-F3036 HydrophobicContact CG1-CZ 4.49Å; V3033-F3036 HydrophobicContact CG2-CE1 4.22Å; V3033-V3037 VanDerWaalsContact O-CG2 3.31Å; V3033-V3037 WeakPolarHBondContact O-CG2 3.32Å; V3033-V3037 PolarHBondContact O-N 3.17Å; V3033-F3077 HydrophobicContact CG1-CD1 4.21Å; V3033-F3077 HydrophobicContact CG1-CE1 4.02Å |
| 3034 | H | 95 | Very high | 92.8 | Very high | 6.4 Ų | 6.4 | 18.8 Ų | 18.8 | 3% | 0.03 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.9 | -51 | 170.8 | -178.9 | -99.8 | 0 | 0 | 0 | 112.2 | R3030 F3036 V3037 I3038 F3068 Y3074 F3077 I3079 A3085 | R3030-H3034 PolarHBondContact O-N 3.15Å; R3030-H3034 VanDerWaalsContact O-N 3.07Å; H3034-F3036 PolarHBondContact O-N 3.19Å; H3034-V3037 PolarHBondContact O-N 3.17Å; H3034-I3038 WeakPolarHBondContact CE1-CD1 3.34Å; H3034-I3038 WeakPolarHBondContact O-CG1 3.32Å; H3034-I3038 PolarHBondContact O-N 3.17Å; H3034-F3068 PolarHBondContact NE2-O 3.23Å; H3034-Y3074 AromaticContact CE1-CD1 3.98Å; H3034-Y3074 AromaticContact CE1-CE1 3.69Å; H3034-Y3074 VanDerWaalsContact CE1-CE1 3.49Å; H3034-Y3074 WeakPolarHBondContact CE1-CE1 3.31Å; H3034-Y3074 AromaticContact NE2-CD1 3.92Å; H3034-Y3074 AromaticContact NE2-CE1 3.85Å; H3034-F3077 VanDerWaalsContact CA-CD1 3.45Å; H3034-F3077 VanDerWaalsContact CA-CE1 3.47Å; H3034-F3077 HydrophobicContact CB-CB 4.26Å; H3034-F3077 HydrophobicContact CB-CD1 3.63Å; H3034-F3077 HydrophobicContact CB-CE1 4.12Å; H3034-F3077 HydrophobicContact CB-CG 4Å; H3034-F3077 AromaticContact CD2-CD2 3.9Å; H3034-F3077 AromaticContact CD2-CG 3.9Å; H3034-I3079 HydrophobicContact CB-CD1 3.94Å; H3034-A3085 WeakPolarHBondContact ND1-CB 3.1Å |
| 3035 | G | 94 | Very high | 92.9 | Very high | 15 Ų | 15 | 18.8 Ų | 18.8 | 16% | 0.155 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.5 | -41 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A3031 S3032 I3038 N3039 | A3031-G3035 PolarHBondContact O-N 3.25Å; S3032-G3035 PolarHBondContact O-N 3.27Å; G3035-I3038 PolarHBondContact O-N 2.95Å; G3035-N3039 WeakPolarHBondContact O-CB 3.32Å; G3035-N3039 VanDerWaalsContact O-CG 3.3Å; G3035-N3039 PolarHBondContact O-N 2.96Å; G3035-N3039 PolarHBondContact O-ND2 3.25Å |
| 3036 | F | 95 | Very high | 92.9 | Very high | 1.8 Ų | 1.8 | 22.6 Ų | 22.6 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.8 | -34.9 | 177.8 | 96.8 | -113.9 | 0 | 0 | 0 | 111.9 | L2993 L2996 L2997 L3014 I3017 A3018 S3032 V3033 H3034 N3039 V3040 | L2993-F3036 HydrophobicContact CD2-CE1 4.3Å; L2996-F3036 HydrophobicContact CD2-CD1 3.8Å; L2996-F3036 HydrophobicContact CD2-CD2 4.11Å; L2996-F3036 HydrophobicContact CD2-CE1 3.58Å; L2996-F3036 HydrophobicContact CD2-CE2 3.92Å; L2996-F3036 HydrophobicContact CD2-CG 4.1Å; L2996-F3036 HydrophobicContact CD2-CZ 3.65Å; L2996-F3036 HydrophobicContact CG-CD1 4.2Å; L2996-F3036 HydrophobicContact CG-CD2 4.29Å; L2996-F3036 HydrophobicContact CG-CE1 4.46Å; L2996-F3036 HydrophobicContact CG-CG 4.15Å; L2997-F3036 HydrophobicContact CD1-CB 4.36Å; L3014-F3036 HydrophobicContact CB-CE2 4.34Å; L3014-F3036 HydrophobicContact CD2-CE2 4.31Å; I3017-F3036 HydrophobicContact CG2-CE1 4.47Å; I3017-F3036 HydrophobicContact CG2-CZ 4.23Å; A3018-F3036 HydrophobicContact CB-CE1 4.31Å; A3018-F3036 HydrophobicContact CB-CE2 4.13Å; A3018-F3036 HydrophobicContact CB-CZ 3.78Å; S3032-F3036 WeakPolarHBondContact O-CD1 3.46Å; S3032-F3036 PolarHBondContact O-N 3.17Å; V3033-F3036 HydrophobicContact CB-CD1 4.5Å; V3033-F3036 HydrophobicContact CB-CE1 4.21Å; V3033-F3036 HydrophobicContact CG1-CE1 4.02Å; V3033-F3036 HydrophobicContact CG1-CZ 4.49Å; V3033-F3036 HydrophobicContact CG2-CE1 4.22Å; H3034-F3036 PolarHBondContact O-N 3.19Å; F3036-N3039 PolarHBondContact O-N 3Å; F3036-V3040 HydrophobicContact CD2-CG2 4.21Å; F3036-V3040 HydrophobicContact CE2-CG2 4.29Å; F3036-V3040 WeakPolarHBondContact O-CB 3.29Å; F3036-V3040 VanDerWaalsContact O-CG2 3.27Å; F3036-V3040 WeakPolarHBondContact O-CG2 3.39Å; F3036-V3040 PolarHBondContact O-N 3.01Å |
| 3037 | V | 95.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.012 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.8 | -46.3 | 175.6 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | A3018 V3033 H3034 N3039 V3040 I3041 F3068 F3077 L3325 | A3018-V3037 HydrophobicContact CB-CG2 3.61Å; V3033-V3037 VanDerWaalsContact O-CG2 3.31Å; V3033-V3037 WeakPolarHBondContact O-CG2 3.32Å; V3033-V3037 PolarHBondContact O-N 3.17Å; H3034-V3037 PolarHBondContact O-N 3.17Å; V3037-N3039 VanDerWaalsContact C-N 3.34Å; V3037-N3039 PolarHBondContact O-N 3.26Å; V3037-V3040 PolarHBondContact O-N 3.16Å; V3037-I3041 HydrophobicContact CG1-CD1 3.75Å; V3037-I3041 HydrophobicContact CG1-CG1 4.5Å; V3037-I3041 VanDerWaalsContact O-CG1 3.31Å; V3037-I3041 WeakPolarHBondContact O-CG1 3.29Å; V3037-I3041 PolarHBondContact O-N 3.26Å; V3037-F3068 HydrophobicContact CG1-CD1 4.1Å; V3037-F3068 HydrophobicContact CG1-CE1 3.71Å; V3037-F3068 HydrophobicContact CG1-CZ 4.29Å; V3037-F3077 HydrophobicContact CB-CE1 4.38Å; V3037-F3077 HydrophobicContact CB-CZ 4.21Å; V3037-F3077 HydrophobicContact CG1-CZ 4.19Å; V3037-F3077 HydrophobicContact CG2-CE1 4.16Å; V3037-F3077 HydrophobicContact CG2-CZ 4.23Å; V3037-L3325 HydrophobicContact CG1-CD2 4.23Å |
| 3038 | I | 95.2 | Very high | 92.6 | Very high | 33.6 Ų | 33.6 | 20.6 Ų | 20.6 | 17% | 0.172 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -52.9 | -50.7 | 171.1 | -73.3 | -85.5 | 0 | 0 | 0 | 110.8 | H3034 G3035 V3040 I3041 H3042 L3065 F3068 T3069 | H3034-I3038 WeakPolarHBondContact CE1-CD1 3.34Å; H3034-I3038 WeakPolarHBondContact O-CG1 3.32Å; H3034-I3038 PolarHBondContact O-N 3.17Å; G3035-I3038 PolarHBondContact O-N 2.95Å; I3038-V3040 VanDerWaalsContact C-N 3.34Å; I3038-V3040 PolarHBondContact O-N 3.22Å; I3038-I3041 PolarHBondContact O-N 3.15Å; I3038-H3042 VanDerWaalsContact O-CB 3.28Å; I3038-H3042 WeakPolarHBondContact O-CB 3.26Å; I3038-H3042 PolarHBondContact O-N 3.13Å; I3038-L3065 HydrophobicContact CD1-CD1 4.13Å; I3038-L3065 HydrophobicContact CG2-CD1 4.25Å; I3038-L3065 WeakPolarHBondContact O-CD1 3.38Å; I3038-F3068 HydrophobicContact CD1-CB 3.55Å; I3038-F3068 HydrophobicContact CG1-CB 4.16Å; I3038-T3069 HydrophobicContact CD1-CG2 4.25Å |
| 3039 | N | 95.6 | Very high | 92.3 | Very high | 37.6 Ų | 37.6 | 18.8 Ų | 18.8 | 20% | 0.201 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.2 | -33.3 | -178.3 | -77.5 | -16.8 | 0 | 0 | 0 | 113.6 | S3000 G3035 F3036 V3037 S3043 | S3000-N3039 WeakPolarHBondContact OG-CB 3.41Å; S3000-N3039 PolarHBondContact OG-ND2 3.21Å; G3035-N3039 WeakPolarHBondContact O-CB 3.32Å; G3035-N3039 VanDerWaalsContact O-CG 3.3Å; G3035-N3039 PolarHBondContact O-N 2.96Å; G3035-N3039 PolarHBondContact O-ND2 3.25Å; F3036-N3039 PolarHBondContact O-N 3Å; V3037-N3039 VanDerWaalsContact C-N 3.34Å; V3037-N3039 PolarHBondContact O-N 3.26Å; N3039-S3043 WeakPolarHBondContact O-CB 3.39Å; N3039-S3043 PolarHBondContact O-N 3.1Å; N3039-S3043 PolarHBondContact O-OG 2.98Å |
| 3040 | V | 95.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.5 | -44.9 | 174.5 | 167.1 | 0 | 0 | 0 | 0 | 110.9 | I3007 L3011 L3014 F3015 F3036 V3037 I3038 S3043 L3044 | I3007-V3040 HydrophobicContact CD1-CB 4.41Å; I3007-V3040 HydrophobicContact CD1-CG1 4.15Å; I3007-V3040 HydrophobicContact CD1-CG2 4.43Å; I3007-V3040 HydrophobicContact CG1-CG1 4.41Å; I3007-V3040 HydrophobicContact CG2-CG1 4.46Å; L3011-V3040 HydrophobicContact CD1-CG1 3.66Å; L3014-V3040 HydrophobicContact CD1-CG1 4.34Å; L3014-V3040 HydrophobicContact CD1-CG2 3.98Å; F3015-V3040 HydrophobicContact CE1-CG1 4.04Å; F3036-V3040 HydrophobicContact CD2-CG2 4.21Å; F3036-V3040 HydrophobicContact CE2-CG2 4.29Å; F3036-V3040 WeakPolarHBondContact O-CB 3.29Å; F3036-V3040 VanDerWaalsContact O-CG2 3.27Å; F3036-V3040 WeakPolarHBondContact O-CG2 3.39Å; F3036-V3040 PolarHBondContact O-N 3.01Å; V3037-V3040 PolarHBondContact O-N 3.16Å; I3038-V3040 VanDerWaalsContact C-N 3.34Å; I3038-V3040 PolarHBondContact O-N 3.22Å; V3040-S3043 PolarHBondContact O-N 3.16Å; V3040-L3044 PolarHBondContact O-N 3.03Å |
| 3041 | I | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.2 | -42.7 | 177.5 | -60.3 | 164.5 | 0 | 0 | 0 | 110.5 | V3037 I3038 S3043 L3044 C3045 L3065 F3068 L3325 I3328 | V3037-I3041 HydrophobicContact CG1-CD1 3.75Å; V3037-I3041 HydrophobicContact CG1-CG1 4.5Å; V3037-I3041 VanDerWaalsContact O-CG1 3.31Å; V3037-I3041 WeakPolarHBondContact O-CG1 3.29Å; V3037-I3041 PolarHBondContact O-N 3.26Å; I3038-I3041 PolarHBondContact O-N 3.15Å; I3041-S3043 VanDerWaalsContact C-N 3.29Å; I3041-S3043 PolarHBondContact O-N 3.19Å; I3041-L3044 WeakPolarHBondContact O-CB 3.3Å; I3041-L3044 PolarHBondContact O-N 3.2Å; I3041-L3044 VanDerWaalsContact O-N 3.15Å; I3041-C3045 PolarHBondContact O-N 3.18Å; I3041-C3045 VanDerWaalsContact O-N 3.12Å; I3041-C3045 PolarHBondContact O-SG 3.34Å; I3041-L3065 HydrophobicContact CB-CD1 3.97Å; I3041-L3065 HydrophobicContact CG2-CB 3.9Å; I3041-L3065 HydrophobicContact CG2-CD1 3.91Å; I3041-L3065 HydrophobicContact CG2-CG 4.43Å; I3041-F3068 HydrophobicContact CD1-CD1 4.45Å; I3041-F3068 HydrophobicContact CD1-CD2 3.76Å; I3041-F3068 HydrophobicContact CD1-CE1 4.35Å; I3041-F3068 HydrophobicContact CD1-CE2 3.6Å; I3041-F3068 HydrophobicContact CD1-CG 4.23Å; I3041-F3068 HydrophobicContact CD1-CZ 3.92Å; I3041-L3325 HydrophobicContact CD1-CD2 4.47Å; I3041-I3328 HydrophobicContact CD1-CD1 3.63Å; I3041-I3328 HydrophobicContact CG1-CD1 3.97Å; I3041-I3328 HydrophobicContact CG2-CD1 4.23Å |
| 3042 | H | 94.5 | Very high | 91.2 | Very high | 75.8 Ų | 75.8 | 33 Ų | 33 | 35% | 0.351 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -58.9 | -40.1 | 172.3 | 176.9 | -99.8 | 0 | 0 | 0 | 112.2 | I3038 C3045 T3046 L3065 | I3038-H3042 VanDerWaalsContact O-CB 3.28Å; I3038-H3042 WeakPolarHBondContact O-CB 3.26Å; I3038-H3042 PolarHBondContact O-N 3.13Å; H3042-C3045 CarbonylContact O-C 3.56Å; H3042-C3045 WeakPolarHBondContact O-CA 3.37Å; H3042-C3045 WeakPolarHBondContact O-CB 3.36Å; H3042-C3045 PolarHBondContact O-N 3.26Å; H3042-C3045 VanDerWaalsContact O-N 3.11Å; H3042-T3046 WeakPolarHBondContact O-CG2 3.41Å; H3042-T3046 PolarHBondContact O-N 3.08Å; H3042-T3046 VanDerWaalsContact O-N 3.13Å; H3042-T3046 PolarHBondContact O-OG1 3.08Å; H3042-L3065 HydrophobicContact CB-CD1 4.35Å; H3042-L3065 HydrophobicContact CB-CD2 4Å |
| 3043 | S | 93.5 | Very high | 90.9 | Very high | 0.6 Ų | 0.6 | 33.6 Ų | 33.6 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -72.1 | -27 | 177 | -66 | 0 | 0 | 0 | 0 | 113.2 | S3000 N3003 N3039 V3040 I3041 C3045 T3046 S3047 | S3000-S3043 PolarHBondContact O-OG 3.15Å; N3003-S3043 PolarHBondContact N-OG 3.13Å; N3039-S3043 WeakPolarHBondContact O-CB 3.39Å; N3039-S3043 PolarHBondContact O-N 3.1Å; N3039-S3043 PolarHBondContact O-OG 2.98Å; V3040-S3043 PolarHBondContact O-N 3.16Å; I3041-S3043 VanDerWaalsContact C-N 3.29Å; I3041-S3043 PolarHBondContact O-N 3.19Å; S3043-C3045 VanDerWaalsContact C-N 3.31Å; S3043-T3046 WeakPolarHBondContact CA-OG1 3.32Å; S3043-T3046 PolarHBondContact O-N 3.41Å; S3043-S3047 WeakPolarHBondContact O-CB 3.34Å; S3043-S3047 PolarHBondContact O-N 3.26Å; S3043-S3047 PolarHBondContact O-OG 3.16Å |
| 3044 | L | 91.6 | Very high | 90.7 | Very high | 0.4 Ų | 0.4 | 36 Ų | 36 | 0% | 0.002 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.1 | -39.7 | 164.8 | -72.5 | 172.2 | 0 | 0 | 0 | 111 | I3007 L3011 V3040 I3041 T3046 L3049 I3328 | I3007-L3044 HydrophobicContact CG2-CD2 3.62Å; I3007-L3044 HydrophobicContact CG2-CG 4.17Å; L3011-L3044 HydrophobicContact CD1-CD1 4.06Å; L3011-L3044 HydrophobicContact CD1-CD2 4.49Å; L3011-L3044 HydrophobicContact CD1-CG 4.5Å; L3011-L3044 HydrophobicContact CD2-CD1 4.3Å; L3011-L3044 HydrophobicContact CD2-CD2 4.39Å; V3040-L3044 PolarHBondContact O-N 3.03Å; I3041-L3044 WeakPolarHBondContact O-CB 3.3Å; I3041-L3044 PolarHBondContact O-N 3.2Å; I3041-L3044 VanDerWaalsContact O-N 3.15Å; L3044-T3046 VanDerWaalsContact C-N 3.32Å; L3044-T3046 PolarHBondContact O-N 3.29Å; L3044-L3049 HydrophobicContact CD2-CD2 3.92Å; L3044-I3328 HydrophobicContact CD1-CG2 3.84Å |
| 3045 | C | 91.3 | Very high | 90.4 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -74 | -14.4 | 179.7 | -61 | 0 | 0 | 0 | 0 | 115.2 | I3041 H3042 S3043 A3050 L3061 R3062 | I3041-C3045 PolarHBondContact O-N 3.18Å; I3041-C3045 VanDerWaalsContact O-N 3.12Å; I3041-C3045 PolarHBondContact O-SG 3.34Å; H3042-C3045 CarbonylContact O-C 3.56Å; H3042-C3045 WeakPolarHBondContact O-CA 3.37Å; H3042-C3045 WeakPolarHBondContact O-CB 3.36Å; H3042-C3045 PolarHBondContact O-N 3.26Å; H3042-C3045 VanDerWaalsContact O-N 3.11Å; S3043-C3045 VanDerWaalsContact C-N 3.31Å; C3045-A3050 WeakPolarHBondContact O-CB 3.39Å; C3045-L3061 VanDerWaalsContact SG-CB 3.57Å; C3045-L3061 WeakPolarHBondContact SG-CB 3.37Å; C3045-R3062 HydrophobicContact CB-CG 4.42Å |
| 3046 | T | 90.6 | Very high | 90.3 | Very high | 80.8 Ų | 80.8 | 50.9 Ų | 50.9 | 50% | 0.496 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -129 | -16.5 | -170.1 | 52.2 | 0 | 0 | 0 | 0 | 115.3 | H3042 S3043 L3044 | H3042-T3046 WeakPolarHBondContact O-CG2 3.41Å; H3042-T3046 PolarHBondContact O-N 3.08Å; H3042-T3046 VanDerWaalsContact O-N 3.13Å; H3042-T3046 PolarHBondContact O-OG1 3.08Å; S3043-T3046 WeakPolarHBondContact CA-OG1 3.32Å; S3043-T3046 PolarHBondContact O-N 3.41Å; L3044-T3046 VanDerWaalsContact C-N 3.32Å; L3044-T3046 PolarHBondContact O-N 3.29Å |
| 3047 | S | 86.6 | Confident | 90.1 | Very high | 14.2 Ų | 14.2 | 51.2 Ų | 51.2 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -71.2 | 173.1 | 177.2 | 63.8 | 0 | 0 | 0 | 0 | 113.1 | N3003 S3043 L3049 A3050 | N3003-S3047 WeakPolarHBondContact ND2-CB 3.23Å; S3043-S3047 WeakPolarHBondContact O-CB 3.34Å; S3043-S3047 PolarHBondContact O-N 3.26Å; S3043-S3047 PolarHBondContact O-OG 3.16Å; S3047-L3049 PolarHBondContact O-N 3.07Å; S3047-A3050 VanDerWaalsContact O-CB 3.3Å; S3047-A3050 WeakPolarHBondContact O-CB 3.38Å; S3047-A3050 PolarHBondContact O-N 3.09Å |
| 3048 | S | 83.6 | Confident | 89.8 | Confident | 85 Ų | 85 | 51.6 Ų | 51.6 | 59% | 0.594 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -56.4 | -19.7 | 174 | 48.8 | 0 | 0 | 0 | 0 | 114.3 | A3050 K3051 | S3048-A3050 VanDerWaalsContact C-N 3.33Å; S3048-K3051 WeakPolarHBondContact O-CB 3.46Å; S3048-K3051 PolarHBondContact O-N 3.08Å |
| 3049 | L | 83.5 | Confident | 89.7 | Confident | 2.4 Ų | 2.4 | 55.5 Ų | 55.5 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -66.3 | -33.9 | 171.9 | 179.7 | 59.4 | 0 | 0 | 0 | 112.4 | L3044 S3047 K3051 Q3052 I3053 V3332 V3336 F3339 W3342 | L3044-L3049 HydrophobicContact CD2-CD2 3.92Å; S3047-L3049 PolarHBondContact O-N 3.07Å; L3049-K3051 PolarHBondContact O-N 3.09Å; L3049-K3051 VanDerWaalsContact O-N 3.13Å; L3049-Q3052 HydrophobicContact CD1-CB 4.49Å; L3049-Q3052 WeakPolarHBondContact O-CB 3.31Å; L3049-Q3052 PolarHBondContact O-N 3.04Å; L3049-I3053 HydrophobicContact CD1-CD1 4.38Å; L3049-I3053 HydrophobicContact CG-CD1 3.94Å; L3049-I3053 PolarHBondContact O-N 3.13Å; L3049-V3332 HydrophobicContact CD2-CG1 4.09Å; L3049-V3336 HydrophobicContact CD1-CG2 4.43Å; L3049-F3339 HydrophobicContact CD1-CD2 4.26Å; L3049-F3339 HydrophobicContact CD1-CE2 3.56Å; L3049-F3339 HydrophobicContact CD1-CZ 4.33Å; L3049-W3342 HydrophobicContact CD2-CH2 3.92Å |
| 3050 | A | 81.9 | Confident | 89.6 | Confident | 19 Ų | 19 | 57.3 Ų | 57.3 | 16% | 0.157 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -62.1 | -23 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | C3045 S3047 S3048 Q3052 I3053 V3058 | C3045-A3050 WeakPolarHBondContact O-CB 3.39Å; S3047-A3050 VanDerWaalsContact O-CB 3.3Å; S3047-A3050 WeakPolarHBondContact O-CB 3.38Å; S3047-A3050 PolarHBondContact O-N 3.09Å; S3048-A3050 VanDerWaalsContact C-N 3.33Å; A3050-Q3052 VanDerWaalsContact C-N 3.29Å; A3050-Q3052 PolarHBondContact O-N 3.11Å; A3050-I3053 PolarHBondContact O-N 3.22Å; A3050-V3058 HydrophobicContact CB-CG2 4.38Å |
| 3051 | K | 84.2 | Confident | 89.5 | Confident | 190 Ų | 190 | 57.3 Ų | 57.3 | 83% | 0.826 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -76.9 | -7.8 | 173.1 | -59.7 | -170.2 | 176.5 | -170.8 | 0 | 113.9 | S3048 L3049 E3198 | S3048-K3051 WeakPolarHBondContact O-CB 3.46Å; S3048-K3051 PolarHBondContact O-N 3.08Å; L3049-K3051 PolarHBondContact O-N 3.09Å; L3049-K3051 VanDerWaalsContact O-N 3.13Å; K3051-E3198 IonicContact NZ-OE1 2.66Å |
| 3052 | Q | 85.3 | Confident | 89.5 | Confident | 121.2 Ų | 121.2 | 63.9 Ų | 63.9 | 57% | 0.566 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -105.7 | -3.6 | 177.9 | -57.7 | -179.3 | -0.3 | 0 | 0 | 112.5 | L3049 A3050 V3336 | L3049-Q3052 HydrophobicContact CD1-CB 4.49Å; L3049-Q3052 WeakPolarHBondContact O-CB 3.31Å; L3049-Q3052 PolarHBondContact O-N 3.04Å; A3050-Q3052 VanDerWaalsContact C-N 3.29Å; A3050-Q3052 PolarHBondContact O-N 3.11Å; Q3052-V3336 HydrophobicContact CB-CG2 4.14Å |
| 3053 | I | 88.2 | Confident | 89.4 | Confident | 13.2 Ų | 13.2 | 65.4 Ų | 65.4 | 7% | 0.068 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -111.1 | 144.2 | -176 | -65.3 | 170.4 | 0 | 0 | 0 | 107.8 | L3049 A3050 T3057 V3058 V3332 E3335 V3336 | L3049-I3053 HydrophobicContact CD1-CD1 4.38Å; L3049-I3053 HydrophobicContact CG-CD1 3.94Å; L3049-I3053 PolarHBondContact O-N 3.13Å; A3050-I3053 PolarHBondContact O-N 3.22Å; I3053-T3057 HydrophobicContact CG2-CG2 3.68Å; I3053-V3058 HydrophobicContact CB-CG2 4.15Å; I3053-V3058 HydrophobicContact CG2-CG2 3.87Å; I3053-V3332 HydrophobicContact CD1-CG1 4.08Å; I3053-V3332 HydrophobicContact CD1-CG2 4.1Å; I3053-E3335 HydrophobicContact CG1-CB 4.45Å; I3053-E3335 HydrophobicContact CG2-CB 4.41Å; I3053-E3335 HydrophobicContact CG2-CG 4.24Å; I3053-V3336 HydrophobicContact CG1-CG2 4Å |
| 3054 | S | 89 | Confident | 89.4 | Confident | 49.4 Ų | 49.4 | 65.8 Ų | 65.8 | 35% | 0.345 | 32% | 0.324 | S | S | . | . | trans | -65.3 | 146.5 | 176.9 | 68.2 | 0 | 0 | 0 | 0 | 112.2 | K3056 T3057 V3058 E3335 | S3054-K3056 PolarHBondContact O-N 3.09Å; S3054-K3056 VanDerWaalsContact O-N 3.11Å; S3054-T3057 PolarHBondContact O-N 3.32Å; S3054-T3057 PolarHBondContact OG-OG1 3.12Å; S3054-V3058 PolarHBondContact O-N 3.12Å; S3054-E3335 VanDerWaalsContact CB-OE2 3.24Å; S3054-E3335 WeakPolarHBondContact CB-OE2 3.38Å; S3054-E3335 PolarHBondContact N-OE2 3.39Å; S3054-E3335 PolarHBondContact OG-OE2 3.17Å | ||
| 3055 | E | 88.9 | Confident | 89.5 | Confident | 169 Ų | 169 | 67.1 Ų | 67.1 | 79% | 0.79 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -56.3 | -32.2 | -179.1 | -102.3 | -176.4 | 165.5 | 0 | 0 | 112.8 | T3057 V3058 H3059 | E3055-T3057 PolarHBondContact O-N 3.36Å; E3055-V3058 PolarHBondContact O-N 3.35Å; E3055-H3059 WeakPolarHBondContact O-CB 3.28Å; E3055-H3059 PolarHBondContact O-N 2.99Å |
| 3056 | K | 91.3 | Very high | 89.6 | Confident | 166.4 Ų | 166.4 | 69.4 Ų | 69.4 | 72% | 0.723 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.5 | -45.8 | 173.9 | -105.6 | 179.5 | 179.8 | 177.2 | 0 | 111.7 | S3054 H3059 Q3060 | S3054-K3056 PolarHBondContact O-N 3.09Å; S3054-K3056 VanDerWaalsContact O-N 3.11Å; K3056-H3059 WeakPolarHBondContact O-CB 3.28Å; K3056-H3059 PolarHBondContact O-N 3.24Å; K3056-Q3060 WeakPolarHBondContact O-CG 3.37Å; K3056-Q3060 PolarHBondContact O-N 3.05Å |
| 3057 | T | 90.9 | Very high | 89.7 | Confident | 7 Ų | 7 | 68.6 Ų | 68.6 | 4% | 0.043 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -72.6 | -34.2 | 177.9 | -60 | 0 | 0 | 0 | 0 | 111.5 | I3053 S3054 E3055 H3059 Q3060 L3061 L3331 E3335 | I3053-T3057 HydrophobicContact CG2-CG2 3.68Å; S3054-T3057 PolarHBondContact O-N 3.32Å; S3054-T3057 PolarHBondContact OG-OG1 3.12Å; E3055-T3057 PolarHBondContact O-N 3.36Å; T3057-H3059 VanDerWaalsContact C-N 3.3Å; T3057-H3059 PolarHBondContact O-N 3.09Å; T3057-Q3060 PolarHBondContact O-N 3.07Å; T3057-Q3060 PolarHBondContact OG1-OE1 3Å; T3057-L3061 HydrophobicContact CG2-CD1 4.45Å; T3057-L3061 VanDerWaalsContact O-CG 3.31Å; T3057-L3061 WeakPolarHBondContact O-CG 3.39Å; T3057-L3061 PolarHBondContact O-N 3.02Å; T3057-L3331 HydrophobicContact CG2-CB 3.92Å; T3057-L3331 HydrophobicContact CG2-CD2 4.4Å; T3057-E3335 HydrophobicContact CG2-CG 3.98Å; T3057-E3335 VanDerWaalsContact OG1-CD 3.24Å; T3057-E3335 PolarHBondContact OG1-OE1 3.44Å; T3057-E3335 PolarHBondContact OG1-OE2 3.06Å |
| 3058 | V | 91.6 | Very high | 90 | Very high | 11 Ų | 11 | 67.9 Ų | 67.9 | 7% | 0.067 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.5 | -37.1 | 169.4 | 179.4 | 0 | 0 | 0 | 0 | 111.4 | A3050 I3053 S3054 E3055 L3061 R3062 | A3050-V3058 HydrophobicContact CB-CG2 4.38Å; I3053-V3058 HydrophobicContact CB-CG2 4.15Å; I3053-V3058 HydrophobicContact CG2-CG2 3.87Å; S3054-V3058 PolarHBondContact O-N 3.12Å; E3055-V3058 PolarHBondContact O-N 3.35Å; V3058-L3061 PolarHBondContact O-N 3.13Å; V3058-R3062 WeakPolarHBondContact O-CG 3.39Å; V3058-R3062 PolarHBondContact O-N 3.27Å |
| 3059 | H | 92.2 | Very high | 90.4 | Very high | 115.8 Ų | 115.8 | 67.6 Ų | 67.6 | 54% | 0.536 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.1 | -41.5 | 173.9 | -169.4 | 94.9 | 0 | 0 | 0 | 112 | E3055 K3056 T3057 L3061 R3062 Q3063 | E3055-H3059 WeakPolarHBondContact O-CB 3.28Å; E3055-H3059 PolarHBondContact O-N 2.99Å; K3056-H3059 WeakPolarHBondContact O-CB 3.28Å; K3056-H3059 PolarHBondContact O-N 3.24Å; T3057-H3059 VanDerWaalsContact C-N 3.3Å; T3057-H3059 PolarHBondContact O-N 3.09Å; H3059-L3061 PolarHBondContact O-N 3.08Å; H3059-R3062 WeakPolarHBondContact O-CB 3.26Å; H3059-R3062 PolarHBondContact O-N 3.19Å; H3059-R3062 VanDerWaalsContact O-N 3.15Å; H3059-Q3063 PolarHBondContact CD2-NE2 3.12Å; H3059-Q3063 VanDerWaalsContact CD2-NE2 3.32Å; H3059-Q3063 PolarHBondContact NE2-NE2 3.33Å; H3059-Q3063 VanDerWaalsContact NE2-NE2 3.18Å; H3059-Q3063 WeakPolarHBondContact O-CG 3.32Å; H3059-Q3063 PolarHBondContact O-N 3.03Å |
| 3060 | Q | 93.3 | Very high | 90.8 | Very high | 75.6 Ų | 75.6 | 71.7 Ų | 71.7 | 35% | 0.353 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 173.3 | -69.8 | 176 | -45.5 | 0 | 0 | 112.2 | K3056 T3057 R3062 Q3063 L3064 L3331 | K3056-Q3060 WeakPolarHBondContact O-CG 3.37Å; K3056-Q3060 PolarHBondContact O-N 3.05Å; T3057-Q3060 PolarHBondContact O-N 3.07Å; T3057-Q3060 PolarHBondContact OG1-OE1 3Å; Q3060-R3062 VanDerWaalsContact C-N 3.29Å; Q3060-R3062 PolarHBondContact O-N 3.07Å; Q3060-Q3063 WeakPolarHBondContact O-CB 3.34Å; Q3060-Q3063 PolarHBondContact O-N 3.1Å; Q3060-Q3063 VanDerWaalsContact O-N 3.15Å; Q3060-L3064 WeakPolarHBondContact O-CG 3.37Å; Q3060-L3064 PolarHBondContact O-N 3.02Å; Q3060-L3331 HydrophobicContact CB-CD1 4.22Å |
| 3061 | L | 93.1 | Very high | 91.1 | Very high | 0.2 Ų | 0.2 | 75.8 Ų | 75.8 | 0% | 0.001 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.8 | -33.3 | 174.3 | -68.5 | 171.2 | 0 | 0 | 0 | 112.4 | C3045 T3057 V3058 H3059 L3064 L3065 I3328 L3331 V3332 | C3045-L3061 VanDerWaalsContact SG-CB 3.57Å; C3045-L3061 WeakPolarHBondContact SG-CB 3.37Å; T3057-L3061 HydrophobicContact CG2-CD1 4.45Å; T3057-L3061 VanDerWaalsContact O-CG 3.31Å; T3057-L3061 WeakPolarHBondContact O-CG 3.39Å; T3057-L3061 PolarHBondContact O-N 3.02Å; V3058-L3061 PolarHBondContact O-N 3.13Å; H3059-L3061 PolarHBondContact O-N 3.08Å; L3061-L3064 PolarHBondContact O-N 2.85Å; L3061-L3065 VanDerWaalsContact O-CB 3.29Å; L3061-L3065 WeakPolarHBondContact O-CB 3.34Å; L3061-L3065 PolarHBondContact O-N 3.17Å; L3061-I3328 HydrophobicContact CD2-CB 4.37Å; L3061-I3328 HydrophobicContact CD2-CG1 4.36Å; L3061-I3328 HydrophobicContact CD2-CG2 3.91Å; L3061-L3331 HydrophobicContact CD2-CB 4.48Å; L3061-L3331 HydrophobicContact CD2-CD1 4.25Å; L3061-V3332 HydrophobicContact CD1-CG2 4.11Å |
| 3062 | R | 93.3 | Very high | 91.4 | Very high | 139.6 Ų | 139.6 | 71.9 Ų | 71.9 | 53% | 0.527 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -70.2 | -35.8 | 171.8 | -71.1 | 172.8 | -173.2 | 166.5 | 4.2 | 112.8 | C3045 V3058 H3059 Q3060 L3065 A3066 | C3045-R3062 HydrophobicContact CB-CG 4.42Å; V3058-R3062 WeakPolarHBondContact O-CG 3.39Å; V3058-R3062 PolarHBondContact O-N 3.27Å; H3059-R3062 WeakPolarHBondContact O-CB 3.26Å; H3059-R3062 PolarHBondContact O-N 3.19Å; H3059-R3062 VanDerWaalsContact O-N 3.15Å; Q3060-R3062 VanDerWaalsContact C-N 3.29Å; Q3060-R3062 PolarHBondContact O-N 3.07Å; R3062-L3065 WeakPolarHBondContact O-CB 3.39Å; R3062-L3065 PolarHBondContact O-N 3.22Å; R3062-A3066 PolarHBondContact O-N 3.26Å; R3062-A3066 VanDerWaalsContact O-N 3.08Å |
| 3063 | Q | 93.9 | Very high | 91.6 | Very high | 106 Ų | 106 | 66.3 Ų | 66.3 | 50% | 0.495 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.8 | -50 | 173 | -137.1 | -177.8 | -34.3 | 0 | 0 | 110.5 | H3059 Q3060 L3065 A3066 E3067 | H3059-Q3063 PolarHBondContact CD2-NE2 3.12Å; H3059-Q3063 VanDerWaalsContact CD2-NE2 3.32Å; H3059-Q3063 PolarHBondContact NE2-NE2 3.33Å; H3059-Q3063 VanDerWaalsContact NE2-NE2 3.18Å; H3059-Q3063 WeakPolarHBondContact O-CG 3.32Å; H3059-Q3063 PolarHBondContact O-N 3.03Å; Q3060-Q3063 WeakPolarHBondContact O-CB 3.34Å; Q3060-Q3063 PolarHBondContact O-N 3.1Å; Q3060-Q3063 VanDerWaalsContact O-N 3.15Å; Q3063-L3065 VanDerWaalsContact C-N 3.33Å; Q3063-L3065 PolarHBondContact O-N 3.21Å; Q3063-A3066 WeakPolarHBondContact O-CA 3.28Å; Q3063-A3066 WeakPolarHBondContact O-CB 3.35Å; Q3063-A3066 PolarHBondContact O-N 3.11Å; Q3063-A3066 VanDerWaalsContact O-N 3.08Å; Q3063-E3067 PolarHBondContact NE2-OE1 3.25Å; Q3063-E3067 PolarHBondContact O-N 3.28Å |
| 3064 | L | 93 | Very high | 91.8 | Very high | 10.2 Ų | 10.2 | 67.5 Ų | 67.5 | 5% | 0.053 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 176.4 | -68 | 167.1 | 0 | 0 | 0 | 111.5 | Q3060 L3061 A3066 E3067 F3068 T3324 E3327 I3328 L3331 | Q3060-L3064 WeakPolarHBondContact O-CG 3.37Å; Q3060-L3064 PolarHBondContact O-N 3.02Å; L3061-L3064 PolarHBondContact O-N 2.85Å; L3064-A3066 VanDerWaalsContact C-N 3.28Å; L3064-A3066 PolarHBondContact O-N 3.05Å; L3064-E3067 WeakPolarHBondContact O-CB 3.34Å; L3064-E3067 PolarHBondContact O-N 2.92Å; L3064-E3067 VanDerWaalsContact O-N 3.11Å; L3064-F3068 WeakPolarHBondContact O-CD2 3.41Å; L3064-F3068 PolarHBondContact O-N 3.15Å; L3064-F3068 VanDerWaalsContact O-N 3.17Å; L3064-T3324 HydrophobicContact CD2-CG2 4.36Å; L3064-E3327 HydrophobicContact CD1-CG 4.3Å; L3064-I3328 HydrophobicContact CB-CD1 4.26Å; L3064-I3328 HydrophobicContact CB-CG1 4.23Å; L3064-I3328 HydrophobicContact CD1-CG1 3.74Å; L3064-L3331 HydrophobicContact CD1-CD1 3.69Å |
| 3065 | L | 93.5 | Very high | 91.8 | Very high | 27.6 Ų | 27.6 | 70.9 Ų | 70.9 | 15% | 0.145 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57 | -39.1 | 172.7 | 179.3 | 63.2 | 0 | 0 | 0 | 112.8 | I3038 I3041 H3042 L3061 R3062 Q3063 | I3038-L3065 HydrophobicContact CD1-CD1 4.13Å; I3038-L3065 HydrophobicContact CG2-CD1 4.25Å; I3038-L3065 WeakPolarHBondContact O-CD1 3.38Å; I3041-L3065 HydrophobicContact CB-CD1 3.97Å; I3041-L3065 HydrophobicContact CG2-CB 3.9Å; I3041-L3065 HydrophobicContact CG2-CD1 3.91Å; I3041-L3065 HydrophobicContact CG2-CG 4.43Å; H3042-L3065 HydrophobicContact CB-CD1 4.35Å; H3042-L3065 HydrophobicContact CB-CD2 4Å; L3061-L3065 VanDerWaalsContact O-CB 3.29Å; L3061-L3065 WeakPolarHBondContact O-CB 3.34Å; L3061-L3065 PolarHBondContact O-N 3.17Å; R3062-L3065 WeakPolarHBondContact O-CB 3.39Å; R3062-L3065 PolarHBondContact O-N 3.22Å; Q3063-L3065 VanDerWaalsContact C-N 3.33Å; Q3063-L3065 PolarHBondContact O-N 3.21Å |
| 3066 | A | 93.5 | Very high | 91.9 | Very high | 53.6 Ų | 53.6 | 63 Ų | 63 | 44% | 0.443 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -69.1 | -37.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R3062 Q3063 L3064 F3068 T3069 | R3062-A3066 PolarHBondContact O-N 3.26Å; R3062-A3066 VanDerWaalsContact O-N 3.08Å; Q3063-A3066 WeakPolarHBondContact O-CA 3.28Å; Q3063-A3066 WeakPolarHBondContact O-CB 3.35Å; Q3063-A3066 PolarHBondContact O-N 3.11Å; Q3063-A3066 VanDerWaalsContact O-N 3.08Å; L3064-A3066 VanDerWaalsContact C-N 3.28Å; L3064-A3066 PolarHBondContact O-N 3.05Å; A3066-F3068 VanDerWaalsContact C-N 3.3Å; A3066-F3068 PolarHBondContact O-N 3.22Å; A3066-T3069 WeakPolarHBondContact O-CB 3.28Å; A3066-T3069 PolarHBondContact O-N 3.1Å; A3066-T3069 PolarHBondContact O-OG1 3.21Å |
| 3067 | E | 93.6 | Very high | 91.9 | Very high | 63.6 Ų | 63.6 | 55.1 Ų | 55.1 | 30% | 0.297 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59 | -39.1 | 175.9 | -70 | -179.1 | -152.3 | 0 | 0 | 112.2 | Q3063 L3064 T3069 L3070 F3073 R3744 | Q3063-E3067 PolarHBondContact NE2-OE1 3.25Å; Q3063-E3067 PolarHBondContact O-N 3.28Å; L3064-E3067 WeakPolarHBondContact O-CB 3.34Å; L3064-E3067 PolarHBondContact O-N 2.92Å; L3064-E3067 VanDerWaalsContact O-N 3.11Å; E3067-T3069 PolarHBondContact O-N 3.05Å; E3067-L3070 HydrophobicContact CB-CD1 4.33Å; E3067-L3070 HydrophobicContact CG-CD1 4.34Å; E3067-L3070 VanDerWaalsContact O-CB 3.29Å; E3067-L3070 WeakPolarHBondContact O-CB 3.38Å; E3067-L3070 WeakPolarHBondContact O-CG 3.34Å; E3067-L3070 PolarHBondContact O-N 3.12Å; E3067-F3073 HydrophobicContact CB-CE2 4.05Å; E3067-F3073 WeakPolarHBondContact O-CD2 3.42Å; E3067-F3073 WeakPolarHBondContact O-CE2 3.33Å; E3067-R3744 IonicContact OE1-NH2 2.66Å; E3067-R3744 IonicContact OE2-NH2 2.9Å |
| 3068 | F | 93.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -11.2 | 174.1 | -85.6 | -94.9 | 0 | 0 | 0 | 114.7 | H3034 V3037 I3038 I3041 L3064 A3066 F3073 F3077 L3321 T3324 L3325 I3328 | H3034-F3068 PolarHBondContact NE2-O 3.23Å; V3037-F3068 HydrophobicContact CG1-CD1 4.1Å; V3037-F3068 HydrophobicContact CG1-CE1 3.71Å; V3037-F3068 HydrophobicContact CG1-CZ 4.29Å; I3038-F3068 HydrophobicContact CD1-CB 3.55Å; I3038-F3068 HydrophobicContact CG1-CB 4.16Å; I3041-F3068 HydrophobicContact CD1-CD1 4.45Å; I3041-F3068 HydrophobicContact CD1-CD2 3.76Å; I3041-F3068 HydrophobicContact CD1-CE1 4.35Å; I3041-F3068 HydrophobicContact CD1-CE2 3.6Å; I3041-F3068 HydrophobicContact CD1-CG 4.23Å; I3041-F3068 HydrophobicContact CD1-CZ 3.92Å; L3064-F3068 WeakPolarHBondContact O-CD2 3.41Å; L3064-F3068 PolarHBondContact O-N 3.15Å; L3064-F3068 VanDerWaalsContact O-N 3.17Å; A3066-F3068 VanDerWaalsContact C-N 3.3Å; A3066-F3068 PolarHBondContact O-N 3.22Å; F3068-F3073 AromaticContact CD1-CD1 3.63Å; F3068-F3073 HydrophobicContact CD1-CD1 3.63Å; F3068-F3073 AromaticContact CD1-CE1 3.88Å; F3068-F3073 HydrophobicContact CD1-CE1 3.88Å; F3068-F3073 HydrophobicContact CD1-CG 4.37Å; F3068-F3073 HydrophobicContact CD2-CD1 4.48Å; F3068-F3073 HydrophobicContact CD2-CE1 4.22Å; F3068-F3073 HydrophobicContact CD2-CZ 4.42Å; F3068-F3073 AromaticContact CE1-CD1 3.84Å; F3068-F3073 HydrophobicContact CE1-CD1 3.84Å; F3068-F3073 AromaticContact CE1-CE1 3.75Å; F3068-F3073 HydrophobicContact CE1-CE1 3.75Å; F3068-F3073 AromaticContact CE2-CE1 3.98Å; F3068-F3073 HydrophobicContact CE2-CE1 4.09Å; F3068-F3073 HydrophobicContact CE2-CZ 4.42Å; F3068-F3073 AromaticContact CG-CD1 3.99Å; F3068-F3073 HydrophobicContact CG-CD1 4.05Å; F3068-F3073 HydrophobicContact CG-CE1 4.12Å; F3068-F3073 HydrophobicContact CG-CG 4.46Å; F3068-F3073 HydrophobicContact CZ-CD1 4.41Å; F3068-F3073 AromaticContact CZ-CE1 3.85Å; F3068-F3073 HydrophobicContact CZ-CE1 3.85Å; F3068-F3077 AromaticContact CD1-CE2 3.97Å; F3068-F3077 HydrophobicContact CD1-CE2 3.97Å; F3068-F3077 HydrophobicContact CD1-CZ 4.25Å; F3068-F3077 AromaticContact CE1-CE2 3.9Å; F3068-F3077 HydrophobicContact CE1-CE2 3.9Å; F3068-F3077 AromaticContact CE1-CZ 3.96Å; F3068-F3077 HydrophobicContact CE1-CZ 4.02Å; F3068-L3321 HydrophobicContact CE1-CD1 3.64Å; F3068-L3321 HydrophobicContact CZ-CD1 3.99Å; F3068-T3324 HydrophobicContact CD2-CG2 4.49Å; F3068-T3324 HydrophobicContact CE2-CG2 3.57Å; F3068-T3324 HydrophobicContact CZ-CG2 4.01Å; F3068-L3325 HydrophobicContact CZ-CD2 3.93Å; F3068-L3325 HydrophobicContact CZ-CG 4.41Å; F3068-I3328 HydrophobicContact CE2-CD1 3.82Å; F3068-I3328 HydrophobicContact CZ-CD1 4.48Å |
| 3069 | T | 91.1 | Very high | 91.7 | Very high | 78 Ų | 78 | 54.6 Ų | 54.6 | 48% | 0.479 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -8.1 | 173.8 | 72.4 | 0 | 0 | 0 | 0 | 113.9 | I3038 A3066 E3067 | I3038-T3069 HydrophobicContact CD1-CG2 4.25Å; A3066-T3069 WeakPolarHBondContact O-CB 3.28Å; A3066-T3069 PolarHBondContact O-N 3.1Å; A3066-T3069 PolarHBondContact O-OG1 3.21Å; E3067-T3069 PolarHBondContact O-N 3.05Å |
| 3070 | L | 91.6 | Very high | 91.4 | Very high | 90.2 Ų | 90.2 | 53.2 Ų | 53.2 | 47% | 0.472 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -74.2 | 151.3 | -178.5 | -61.4 | 173.9 | 0 | 0 | 0 | 112 | E3067 K3072 F3073 Y3074 | E3067-L3070 HydrophobicContact CB-CD1 4.33Å; E3067-L3070 HydrophobicContact CG-CD1 4.34Å; E3067-L3070 VanDerWaalsContact O-CB 3.29Å; E3067-L3070 WeakPolarHBondContact O-CB 3.38Å; E3067-L3070 WeakPolarHBondContact O-CG 3.34Å; E3067-L3070 PolarHBondContact O-N 3.12Å; L3070-K3072 PolarHBondContact O-N 3.09Å; L3070-K3072 VanDerWaalsContact O-N 3.08Å; L3070-F3073 PolarHBondContact O-N 3.04Å; L3070-Y3074 PolarHBondContact O-N 3.17Å |
| 3071 | P | 88.4 | Confident | 90.9 | Very high | 103.2 Ų | 103.2 | 56.3 Ų | 56.3 | 67% | 0.67 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -54.2 | -31.5 | -180 | -29 | 36 | 0 | 0 | 0 | 115 | F3073 Y3074 E3075 | P3071-F3073 VanDerWaalsContact C-N 3.28Å; P3071-F3073 PolarHBondContact O-N 3.14Å; P3071-Y3074 WeakPolarHBondContact O-CA 3.44Å; P3071-Y3074 WeakPolarHBondContact O-CB 3.4Å; P3071-Y3074 PolarHBondContact O-N 3.17Å; P3071-E3075 PolarHBondContact O-N 3.33Å |
| 3072 | K | 89.7 | Confident | 90.4 | Very high | 110 Ų | 110 | 57 Ų | 57 | 48% | 0.478 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.5 | -39 | 173.9 | -170.8 | -166.9 | 177.9 | -163.3 | 0 | 112.2 | L3070 V3076 F3320 | L3070-K3072 PolarHBondContact O-N 3.09Å; L3070-K3072 VanDerWaalsContact O-N 3.08Å; K3072-V3076 VanDerWaalsContact O-CG2 3.25Å; K3072-V3076 WeakPolarHBondContact O-CG2 3.29Å; K3072-V3076 PolarHBondContact O-N 3.14Å; K3072-V3076 VanDerWaalsContact O-N 3.16Å; K3072-F3320 HydrophobicContact CD-CD1 4.49Å; K3072-F3320 HydrophobicContact CD-CE1 3.87Å; K3072-F3320 HydrophobicContact CD-CZ 4.04Å; K3072-F3320 HydrophobicContact CG-CE1 4.42Å; K3072-F3320 VanDerWaalsContact NZ-CE1 3.32Å |
| 3073 | F | 91.3 | Very high | 89.7 | Confident | 3.4 Ų | 3.4 | 60.6 Ų | 60.6 | 2% | 0.015 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -76.2 | -28.4 | 175.3 | -79.1 | -91.4 | 0 | 0 | 0 | 111.9 | E3067 F3068 L3070 P3071 E3075 V3076 F3077 F3320 T3324 | E3067-F3073 HydrophobicContact CB-CE2 4.05Å; E3067-F3073 WeakPolarHBondContact O-CD2 3.42Å; E3067-F3073 WeakPolarHBondContact O-CE2 3.33Å; F3068-F3073 AromaticContact CD1-CD1 3.63Å; F3068-F3073 HydrophobicContact CD1-CD1 3.63Å; F3068-F3073 AromaticContact CD1-CE1 3.88Å; F3068-F3073 HydrophobicContact CD1-CE1 3.88Å; F3068-F3073 HydrophobicContact CD1-CG 4.37Å; F3068-F3073 HydrophobicContact CD2-CD1 4.48Å; F3068-F3073 HydrophobicContact CD2-CE1 4.22Å; F3068-F3073 HydrophobicContact CD2-CZ 4.42Å; F3068-F3073 AromaticContact CE1-CD1 3.84Å; F3068-F3073 HydrophobicContact CE1-CD1 3.84Å; F3068-F3073 AromaticContact CE1-CE1 3.75Å; F3068-F3073 HydrophobicContact CE1-CE1 3.75Å; F3068-F3073 AromaticContact CE2-CE1 3.98Å; F3068-F3073 HydrophobicContact CE2-CE1 4.09Å; F3068-F3073 HydrophobicContact CE2-CZ 4.42Å; F3068-F3073 AromaticContact CG-CD1 3.99Å; F3068-F3073 HydrophobicContact CG-CD1 4.05Å; F3068-F3073 HydrophobicContact CG-CE1 4.12Å; F3068-F3073 HydrophobicContact CG-CG 4.46Å; F3068-F3073 HydrophobicContact CZ-CD1 4.41Å; F3068-F3073 AromaticContact CZ-CE1 3.85Å; F3068-F3073 HydrophobicContact CZ-CE1 3.85Å; L3070-F3073 PolarHBondContact O-N 3.04Å; P3071-F3073 VanDerWaalsContact C-N 3.28Å; P3071-F3073 PolarHBondContact O-N 3.14Å; F3073-E3075 VanDerWaalsContact C-N 3.31Å; F3073-E3075 PolarHBondContact O-N 2.95Å; F3073-V3076 PolarHBondContact O-N 3.25Å; F3073-F3077 HydrophobicContact CD1-CE2 4.31Å; F3073-F3077 VanDerWaalsContact O-CD2 3.28Å; F3073-F3077 WeakPolarHBondContact O-CD2 3.44Å; F3073-F3077 PolarHBondContact O-N 3.21Å; F3073-F3320 HydrophobicContact CD1-CE1 4.27Å; F3073-F3320 HydrophobicContact CD2-CE1 4.21Å; F3073-F3320 HydrophobicContact CE1-CD1 4.47Å; F3073-F3320 AromaticContact CE1-CE1 3.71Å; F3073-F3320 HydrophobicContact CE1-CE1 3.71Å; F3073-F3320 HydrophobicContact CE1-CZ 4.17Å; F3073-F3320 AromaticContact CE2-CE1 3.66Å; F3073-F3320 HydrophobicContact CE2-CE1 3.66Å; F3073-F3320 AromaticContact CE2-CZ 3.63Å; F3073-F3320 HydrophobicContact CE2-CZ 3.63Å; F3073-F3320 HydrophobicContact CG-CE1 4.49Å; F3073-F3320 HydrophobicContact CZ-CD1 4.46Å; F3073-F3320 AromaticContact CZ-CE1 3.38Å; F3073-F3320 HydrophobicContact CZ-CE1 3.38Å; F3073-F3320 VanDerWaalsContact CZ-CE1 3.41Å; F3073-F3320 HydrophobicContact CZ-CE2 4.49Å; F3073-F3320 AromaticContact CZ-CZ 3.4Å; F3073-F3320 HydrophobicContact CZ-CZ 3.4Å; F3073-F3320 VanDerWaalsContact CZ-CZ 3.42Å; F3073-T3324 HydrophobicContact CE1-CG2 4.34Å; F3073-T3324 HydrophobicContact CZ-CG2 4.06Å |
| 3074 | Y | 91.7 | Very high | 89.2 | Confident | 38.4 Ų | 38.4 | 57.9 Ų | 57.9 | 15% | 0.151 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.2 | -36.8 | 173.3 | -77.5 | 27.3 | 0 | 0 | 0 | 111.5 | H3034 L3070 P3071 G3078 I3079 Q3080 V3082 A3085 | H3034-Y3074 AromaticContact CE1-CD1 3.98Å; H3034-Y3074 AromaticContact CE1-CE1 3.69Å; H3034-Y3074 VanDerWaalsContact CE1-CE1 3.49Å; H3034-Y3074 WeakPolarHBondContact CE1-CE1 3.31Å; H3034-Y3074 AromaticContact NE2-CD1 3.92Å; H3034-Y3074 AromaticContact NE2-CE1 3.85Å; L3070-Y3074 PolarHBondContact O-N 3.17Å; P3071-Y3074 WeakPolarHBondContact O-CA 3.44Å; P3071-Y3074 WeakPolarHBondContact O-CB 3.4Å; P3071-Y3074 PolarHBondContact O-N 3.17Å; Y3074-G3078 PolarHBondContact O-N 3.26Å; Y3074-G3078 VanDerWaalsContact O-N 3.15Å; Y3074-I3079 HydrophobicContact CD1-CD1 4.16Å; Y3074-I3079 HydrophobicContact CD1-CG1 4.37Å; Y3074-I3079 HydrophobicContact CD2-CD1 4.29Å; Y3074-I3079 HydrophobicContact CD2-CG1 4.32Å; Y3074-I3079 HydrophobicContact CE1-CD1 4.38Å; Y3074-I3079 HydrophobicContact CG-CD1 4.1Å; Y3074-I3079 HydrophobicContact CG-CG1 3.98Å; Y3074-I3079 CarbonylContact O-C 3.55Å; Y3074-I3079 WeakPolarHBondContact O-CA 3.38Å; Y3074-I3079 VanDerWaalsContact O-CG1 3.28Å; Y3074-I3079 WeakPolarHBondContact O-CG1 3.31Å; Y3074-I3079 PolarHBondContact O-N 3.07Å; Y3074-Q3080 PolarHBondContact O-N 3.17Å; Y3074-V3082 WeakPolarHBondContact CD2-O 3.4Å; Y3074-V3082 VanDerWaalsContact CE2-O 3.3Å; Y3074-V3082 WeakPolarHBondContact CE2-O 3.39Å; Y3074-A3085 HydrophobicContact CE1-CB 4.39Å; Y3074-A3085 HydrophobicContact CE2-CB 4.41Å |
| 3075 | E | 89.1 | Confident | 88.9 | Confident | 119.6 Ų | 119.6 | 57.5 Ų | 57.5 | 56% | 0.559 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62 | -50.4 | 169.2 | -176.3 | -175.8 | 177.6 | 0 | 0 | 111.8 | P3071 F3073 F3077 G3078 Q3080 | P3071-E3075 PolarHBondContact O-N 3.33Å; F3073-E3075 VanDerWaalsContact C-N 3.31Å; F3073-E3075 PolarHBondContact O-N 2.95Å; E3075-F3077 VanDerWaalsContact C-N 3.26Å; E3075-F3077 PolarHBondContact O-N 3.31Å; E3075-G3078 PolarHBondContact O-N 3.08Å; E3075-Q3080 HydrophobicContact CB-CB 4.4Å |
| 3076 | V | 90.3 | Very high | 88.5 | Confident | 4.2 Ų | 4.2 | 60 Ų | 60 | 3% | 0.025 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.2 | -35.5 | 178.5 | 169 | 0 | 0 | 0 | 0 | 113.1 | V3022 C3023 K3072 F3073 L3313 F3320 L3321 | V3022-V3076 WeakPolarHBondContact CG2-O 3.44Å; C3023-V3076 PolarHBondContact SG-O 2.93Å; C3023-V3076 VanDerWaalsContact SG-O 3.36Å; K3072-V3076 VanDerWaalsContact O-CG2 3.25Å; K3072-V3076 WeakPolarHBondContact O-CG2 3.29Å; K3072-V3076 PolarHBondContact O-N 3.14Å; K3072-V3076 VanDerWaalsContact O-N 3.16Å; F3073-V3076 PolarHBondContact O-N 3.25Å; V3076-L3313 WeakPolarHBondContact O-CD1 3.37Å; V3076-F3320 HydrophobicContact CG2-CD1 3.92Å; V3076-F3320 HydrophobicContact CG2-CE1 4.42Å; V3076-L3321 HydrophobicContact CG1-CB 3.92Å; V3076-L3321 HydrophobicContact CG1-CD2 4.43Å |
| 3077 | F | 91.8 | Very high | 88.1 | Confident | 0.8 Ų | 0.8 | 62.8 Ų | 62.8 | 0% | 0.004 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -2.1 | 177.3 | -79.6 | -103.4 | 0 | 0 | 0 | 114.1 | V3022 C3023 V3033 H3034 V3037 F3068 F3073 E3075 I3079 L3321 | V3022-F3077 HydrophobicContact CG2-CB 4.33Å; V3022-F3077 HydrophobicContact CG2-CD1 3.77Å; V3022-F3077 HydrophobicContact CG2-CD2 4.42Å; V3022-F3077 HydrophobicContact CG2-CE1 4.2Å; V3022-F3077 HydrophobicContact CG2-CG 3.94Å; C3023-F3077 PolarHBondContact SG-O 2.9Å; V3033-F3077 HydrophobicContact CG1-CD1 4.21Å; V3033-F3077 HydrophobicContact CG1-CE1 4.02Å; H3034-F3077 VanDerWaalsContact CA-CD1 3.45Å; H3034-F3077 VanDerWaalsContact CA-CE1 3.47Å; H3034-F3077 HydrophobicContact CB-CB 4.26Å; H3034-F3077 HydrophobicContact CB-CD1 3.63Å; H3034-F3077 HydrophobicContact CB-CE1 4.12Å; H3034-F3077 HydrophobicContact CB-CG 4Å; H3034-F3077 AromaticContact CD2-CD2 3.9Å; H3034-F3077 AromaticContact CD2-CG 3.9Å; V3037-F3077 HydrophobicContact CB-CE1 4.38Å; V3037-F3077 HydrophobicContact CB-CZ 4.21Å; V3037-F3077 HydrophobicContact CG1-CZ 4.19Å; V3037-F3077 HydrophobicContact CG2-CE1 4.16Å; V3037-F3077 HydrophobicContact CG2-CZ 4.23Å; F3068-F3077 AromaticContact CD1-CE2 3.97Å; F3068-F3077 HydrophobicContact CD1-CE2 3.97Å; F3068-F3077 HydrophobicContact CD1-CZ 4.25Å; F3068-F3077 AromaticContact CE1-CE2 3.9Å; F3068-F3077 HydrophobicContact CE1-CE2 3.9Å; F3068-F3077 AromaticContact CE1-CZ 3.96Å; F3068-F3077 HydrophobicContact CE1-CZ 4.02Å; F3073-F3077 HydrophobicContact CD1-CE2 4.31Å; F3073-F3077 VanDerWaalsContact O-CD2 3.28Å; F3073-F3077 WeakPolarHBondContact O-CD2 3.44Å; F3073-F3077 PolarHBondContact O-N 3.21Å; E3075-F3077 VanDerWaalsContact C-N 3.26Å; E3075-F3077 PolarHBondContact O-N 3.31Å; F3077-I3079 HydrophobicContact CB-CD1 4.4Å; F3077-I3079 HydrophobicContact CB-CG1 4.21Å; F3077-L3321 HydrophobicContact CE2-CD1 3.74Å; F3077-L3321 HydrophobicContact CE2-CD2 4.42Å; F3077-L3321 HydrophobicContact CZ-CD1 3.84Å; F3077-L3321 HydrophobicContact CZ-CD2 4.3Å |
| 3078 | G | 88.5 | Confident | 87.7 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 6% | 0.062 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | 35.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | C3023 R3030 Y3074 E3075 | C3023-G3078 VanDerWaalsContact SG-CA 3.59Å; C3023-G3078 PolarHBondContact SG-N 3.14Å; R3030-G3078 VanDerWaalsContact CD-O 3.26Å; R3030-G3078 WeakPolarHBondContact CD-O 3.42Å; R3030-G3078 PolarHBondContact NH1-O 2.97Å; R3030-G3078 VanDerWaalsContact NH1-O 3.15Å; Y3074-G3078 PolarHBondContact O-N 3.26Å; Y3074-G3078 VanDerWaalsContact O-N 3.15Å; E3075-G3078 PolarHBondContact O-N 3.08Å |
| 3079 | I | 90.1 | Very high | 87.2 | Confident | 1.4 Ų | 1.4 | 61.3 Ų | 61.3 | 1% | 0.007 | 32% | 0.323 | C | S | . | . | trans | -128.8 | 21.5 | -178.1 | 64.9 | 173.6 | 0 | 0 | 0 | 112.5 | L3027 R3030 A3031 H3034 Y3074 F3077 N3081 V3082 A3085 | L3027-I3079 HydrophobicContact CD1-CB 4.38Å; L3027-I3079 HydrophobicContact CD1-CG2 4.04Å; R3030-I3079 HydrophobicContact CB-CG2 3.65Å; A3031-I3079 HydrophobicContact CB-CG2 4.43Å; H3034-I3079 HydrophobicContact CB-CD1 3.94Å; Y3074-I3079 HydrophobicContact CD1-CD1 4.16Å; Y3074-I3079 HydrophobicContact CD1-CG1 4.37Å; Y3074-I3079 HydrophobicContact CD2-CD1 4.29Å; Y3074-I3079 HydrophobicContact CD2-CG1 4.32Å; Y3074-I3079 HydrophobicContact CE1-CD1 4.38Å; Y3074-I3079 HydrophobicContact CG-CD1 4.1Å; Y3074-I3079 HydrophobicContact CG-CG1 3.98Å; Y3074-I3079 CarbonylContact O-C 3.55Å; Y3074-I3079 WeakPolarHBondContact O-CA 3.38Å; Y3074-I3079 VanDerWaalsContact O-CG1 3.28Å; Y3074-I3079 WeakPolarHBondContact O-CG1 3.31Å; Y3074-I3079 PolarHBondContact O-N 3.07Å; F3077-I3079 HydrophobicContact CB-CD1 4.4Å; F3077-I3079 HydrophobicContact CB-CG1 4.21Å; I3079-N3081 PolarHBondContact O-N 2.9Å; I3079-N3081 VanDerWaalsContact O-N 3.08Å; I3079-V3082 HydrophobicContact CB-CB 4.39Å; I3079-V3082 HydrophobicContact CB-CG2 4.12Å; I3079-V3082 VanDerWaalsContact O-CB 3.28Å; I3079-V3082 WeakPolarHBondContact O-CB 3.39Å; I3079-V3082 WeakPolarHBondContact O-CG2 3.44Å; I3079-V3082 PolarHBondContact O-N 3.34Å; I3079-A3085 HydrophobicContact CD1-CB 3.92Å | ||
| 3080 | Q | 85.6 | Confident | 86.9 | Confident | 85.2 Ų | 85.2 | 61.2 Ų | 61.2 | 40% | 0.398 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -28.3 | -173 | 60.4 | -97.4 | 18 | 0 | 0 | 115.5 | Y3074 E3075 V3082 E3311 | Y3074-Q3080 PolarHBondContact O-N 3.17Å; E3075-Q3080 HydrophobicContact CB-CB 4.4Å; Q3080-V3082 VanDerWaalsContact C-N 3.31Å; Q3080-V3082 PolarHBondContact O-N 3.13Å; Q3080-E3311 PolarHBondContact NE2-OE1 2.74Å; Q3080-E3311 PolarHBondContact NE2-OE2 3.42Å |
| 3081 | N | 82.1 | Confident | 85.8 | Confident | 141.8 Ų | 141.8 | 59.2 Ų | 59.2 | 76% | 0.758 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 0.5 | 179.1 | -63.4 | -26 | 0 | 0 | 0 | 113.8 | I3079 | I3079-N3081 PolarHBondContact O-N 2.9Å; I3079-N3081 VanDerWaalsContact O-N 3.08Å |
| 3082 | V | 82.2 | Confident | 84.8 | Confident | 14 Ų | 14 | 57.6 Ų | 57.6 | 9% | 0.085 | 29% | 0.292 | C | S | . | . | trans | -93.5 | 120.1 | -174.8 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | L3027 Y3074 I3079 Q3080 C3084 S3088 | L3027-V3082 HydrophobicContact CD1-CG2 3.84Å; L3027-V3082 HydrophobicContact CD2-CG2 3.87Å; L3027-V3082 HydrophobicContact CG-CG2 4.09Å; Y3074-V3082 WeakPolarHBondContact CD2-O 3.4Å; Y3074-V3082 VanDerWaalsContact CE2-O 3.3Å; Y3074-V3082 WeakPolarHBondContact CE2-O 3.39Å; I3079-V3082 HydrophobicContact CB-CB 4.39Å; I3079-V3082 HydrophobicContact CB-CG2 4.12Å; I3079-V3082 VanDerWaalsContact O-CB 3.28Å; I3079-V3082 WeakPolarHBondContact O-CB 3.39Å; I3079-V3082 WeakPolarHBondContact O-CG2 3.44Å; I3079-V3082 PolarHBondContact O-N 3.34Å; Q3080-V3082 VanDerWaalsContact C-N 3.31Å; Q3080-V3082 PolarHBondContact O-N 3.13Å; V3082-C3084 VanDerWaalsContact C-N 3.32Å; V3082-C3084 VanDerWaalsContact CG1-C 3.46Å; V3082-C3084 VanDerWaalsContact CG1-O 3.28Å; V3082-C3084 WeakPolarHBondContact CG1-O 3.35Å; V3082-C3084 PolarHBondContact O-N 3.29Å; V3082-S3088 VanDerWaalsContact CG1-OG 3.26Å; V3082-S3088 WeakPolarHBondContact CG1-OG 3.35Å | ||
| 3083 | K | 80.5 | Confident | 83.4 | Confident | 214.4 Ų | 214.4 | 56.1 Ų | 56.1 | 93% | 0.932 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -68.9 | -25.8 | 176.2 | -64.8 | -176.2 | 178.5 | -179.8 | 0 | 114.2 | ||
| 3084 | C | 83.6 | Confident | 81.6 | Confident | 49.8 Ų | 49.8 | 62.7 Ų | 62.7 | 34% | 0.336 | 31% | 0.31 | S | S | . | . | trans | -156 | 105.5 | -177.5 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | V3082 I3087 S3088 | V3082-C3084 VanDerWaalsContact C-N 3.32Å; V3082-C3084 VanDerWaalsContact CG1-C 3.46Å; V3082-C3084 VanDerWaalsContact CG1-O 3.28Å; V3082-C3084 WeakPolarHBondContact CG1-O 3.35Å; V3082-C3084 PolarHBondContact O-N 3.29Å; C3084-I3087 HydrophobicContact CB-CB 4.44Å; C3084-I3087 HydrophobicContact CB-CD1 3.94Å; C3084-I3087 HydrophobicContact CB-CG1 4.15Å; C3084-I3087 PolarHBondContact O-N 3.17Å; C3084-S3088 PolarHBondContact O-N 2.93Å | ||
| 3085 | A | 84.9 | Confident | 79 | Confident | 2.4 Ų | 2.4 | 67.5 Ų | 67.5 | 2% | 0.02 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -55.5 | -42.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | H3034 Y3074 I3079 I3087 S3088 A3089 | H3034-A3085 WeakPolarHBondContact ND1-CB 3.1Å; Y3074-A3085 HydrophobicContact CE1-CB 4.39Å; Y3074-A3085 HydrophobicContact CE2-CB 4.41Å; I3079-A3085 HydrophobicContact CD1-CB 3.92Å; A3085-I3087 VanDerWaalsContact C-N 3.32Å; A3085-I3087 PolarHBondContact O-N 3.24Å; A3085-S3088 PolarHBondContact O-N 3.2Å; A3085-S3088 VanDerWaalsContact O-N 3.12Å; A3085-A3089 WeakPolarHBondContact O-CB 3.39Å; A3085-A3089 PolarHBondContact O-N 3.23Å |
| 3086 | P | 86.6 | Confident | 76.8 | Confident | 80 Ų | 80 | 65.2 Ų | 65.2 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -53.8 | -40.6 | 173.4 | -30.4 | 36.3 | 0 | 0 | 0 | 114.9 | S3088 A3089 F3090 | P3086-S3088 VanDerWaalsContact C-N 3.32Å; P3086-S3088 PolarHBondContact O-N 2.99Å; P3086-A3089 CarbonylContact O-C 3.43Å; P3086-A3089 PolarHBondContact O-N 3.16Å; P3086-A3089 VanDerWaalsContact O-N 3.12Å; P3086-F3090 WeakPolarHBondContact O-CD2 3.32Å; P3086-F3090 PolarHBondContact O-N 3.14Å |
| 3087 | I | 84.4 | Confident | 74.5 | Confident | 111.6 Ų | 111.6 | 70 Ų | 70 | 57% | 0.572 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66.2 | -37 | -179.1 | -63.1 | 177.4 | 0 | 0 | 0 | 110.8 | C3084 A3085 A3089 | C3084-I3087 HydrophobicContact CB-CB 4.44Å; C3084-I3087 HydrophobicContact CB-CD1 3.94Å; C3084-I3087 HydrophobicContact CB-CG1 4.15Å; C3084-I3087 PolarHBondContact O-N 3.17Å; A3085-I3087 VanDerWaalsContact C-N 3.32Å; A3085-I3087 PolarHBondContact O-N 3.24Å; I3087-A3089 VanDerWaalsContact C-N 3.34Å |
| 3088 | S | 84.4 | Confident | 72.5 | Confident | 31.4 Ų | 31.4 | 72.6 Ų | 72.6 | 22% | 0.22 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -74.9 | -25.7 | 174.3 | -62.3 | 0 | 0 | 0 | 0 | 113.1 | S3028 V3082 C3084 A3085 P3086 | S3028-S3088 VanDerWaalsContact CA-O 3.31Å; S3028-S3088 WeakPolarHBondContact CA-O 3.37Å; S3028-S3088 WeakPolarHBondContact CB-O 3.36Å; V3082-S3088 VanDerWaalsContact CG1-OG 3.26Å; V3082-S3088 WeakPolarHBondContact CG1-OG 3.35Å; C3084-S3088 PolarHBondContact O-N 2.93Å; A3085-S3088 PolarHBondContact O-N 3.2Å; A3085-S3088 VanDerWaalsContact O-N 3.12Å; P3086-S3088 VanDerWaalsContact C-N 3.32Å; P3086-S3088 PolarHBondContact O-N 2.99Å |
| 3089 | A | 84.1 | Confident | 69.9 | Low | 2 Ų | 2 | 77 Ų | 77 | 2% | 0.017 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -82.7 | -12.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | R2994 L2997 A3031 A3085 P3086 I3087 | R2994-A3089 VanDerWaalsContact CZ-O 3.23Å; R2994-A3089 PolarHBondContact NH1-O 3.21Å; R2994-A3089 PolarHBondContact NH2-O 3.22Å; L2997-A3089 HydrophobicContact CD2-CB 4.1Å; A3031-A3089 HydrophobicContact CB-CB 3.95Å; A3085-A3089 WeakPolarHBondContact O-CB 3.39Å; A3085-A3089 PolarHBondContact O-N 3.23Å; P3086-A3089 CarbonylContact O-C 3.43Å; P3086-A3089 PolarHBondContact O-N 3.16Å; P3086-A3089 VanDerWaalsContact O-N 3.12Å; I3087-A3089 VanDerWaalsContact C-N 3.34Å |
| 3090 | F | 83.9 | Confident | 67 | Low | 74.8 Ų | 74.8 | 80 Ų | 80 | 33% | 0.328 | 45% | 0.447 | S | S | . | . | trans | -134.8 | 58.7 | -178.4 | -69.1 | -88.7 | 0 | 0 | 0 | 112.9 | L2997 M2998 P3086 H3092 F3093 | L2997-F3090 HydrophobicContact CD2-CE1 4.31Å; L2997-F3090 HydrophobicContact CD2-CE2 3.85Å; L2997-F3090 HydrophobicContact CD2-CZ 3.71Å; L2997-F3090 HydrophobicContact CG-CE2 4.46Å; L2997-F3090 HydrophobicContact CG-CZ 4.12Å; M2998-F3090 HydrophobicContact CE-CD1 4.27Å; M2998-F3090 HydrophobicContact CE-CE1 3.75Å; M2998-F3090 HydrophobicContact CE-CZ 4.28Å; M2998-F3090 HydrophobicContact SD-CE1 3.53Å; M2998-F3090 VanDerWaalsContact SD-CE1 3.53Å; M2998-F3090 HydrophobicContact SD-CZ 4.05Å; P3086-F3090 WeakPolarHBondContact O-CD2 3.32Å; P3086-F3090 PolarHBondContact O-N 3.14Å; F3090-H3092 VanDerWaalsContact C-N 3.3Å; F3090-H3092 PolarHBondContact O-N 3.11Å; F3090-F3093 HydrophobicContact CB-CB 4.42Å; F3090-F3093 HydrophobicContact CB-CD2 4.41Å; F3090-F3093 AromaticContact CD1-CD2 3.89Å; F3090-F3093 HydrophobicContact CD1-CD2 3.89Å; F3090-F3093 HydrophobicContact CD1-CE2 4.28Å; F3090-F3093 HydrophobicContact CD1-CG 4.48Å; F3090-F3093 PolarHBondContact O-N 3.13Å | ||
| 3091 | P | 69.6 | Low | 64.4 | Low | 48.2 Ų | 48.2 | 82.9 Ų | 82.9 | 31% | 0.313 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -34.8 | -174.1 | 22.9 | -32.4 | 0 | 0 | 0 | 114.1 | ||
| 3092 | H | 67.2 | Low | 61.8 | Low | 69.8 Ų | 69.8 | 84.1 Ų | 84.1 | 32% | 0.323 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -1.1 | -172.8 | -56.3 | -65.2 | 0 | 0 | 0 | 115.2 | G2935 F3090 R3094 | G2935-H3092 PolarHBondContact O-CE1 3.31Å; G2935-H3092 PolarHBondContact O-NE2 2.97Å; F3090-H3092 VanDerWaalsContact C-N 3.3Å; F3090-H3092 PolarHBondContact O-N 3.11Å; H3092-R3094 VanDerWaalsContact C-N 3.29Å; H3092-R3094 PolarHBondContact O-N 2.87Å |
| 3093 | F | 60.2 | Low | 59.2 | Low | 79.6 Ų | 79.6 | 90.8 Ų | 90.8 | 35% | 0.349 | 50% | 0.504 | S | S | . | . | trans | -98 | 29.5 | -178.2 | -73.5 | -91.1 | 0 | 0 | 0 | 112.9 | E2940 D2944 M2998 F3090 | E2940-F3093 HydrophobicContact CB-CE2 4.27Å; D2944-F3093 HydrophobicContact CB-CZ 4.24Å; M2998-F3093 HydrophobicContact CE-CE2 4.25Å; F3090-F3093 HydrophobicContact CB-CB 4.42Å; F3090-F3093 HydrophobicContact CB-CD2 4.41Å; F3090-F3093 AromaticContact CD1-CD2 3.89Å; F3090-F3093 HydrophobicContact CD1-CD2 3.89Å; F3090-F3093 HydrophobicContact CD1-CE2 4.28Å; F3090-F3093 HydrophobicContact CD1-CG 4.48Å; F3090-F3093 PolarHBondContact O-N 3.13Å | ||
| 3094 | R | 53.8 | Low | 56.6 | Low | 141.2 Ų | 141.2 | 84.2 Ų | 84.2 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | trans | -77.3 | 131.5 | 173.6 | -72.8 | 174.3 | 168.6 | -167.3 | 3.8 | 110.6 | H3092 G3096 E3097 | H3092-R3094 VanDerWaalsContact C-N 3.29Å; H3092-R3094 PolarHBondContact O-N 2.87Å; R3094-G3096 PolarHBondContact O-N 3.15Å; R3094-G3096 VanDerWaalsContact O-N 3.13Å; R3094-E3097 HydrophobicContact CB-CB 4.45Å; R3094-E3097 HydrophobicContact CB-CG 4.27Å; R3094-E3097 VanDerWaalsContact CD-CD 3.45Å; R3094-E3097 WeakPolarHBondContact CD-OE1 3.38Å; R3094-E3097 VanDerWaalsContact CD-OE2 3.25Å; R3094-E3097 WeakPolarHBondContact CD-OE2 3.4Å; R3094-E3097 IonicContact NE-OE2 3.41Å; R3094-E3097 IonicContact NH1-OE1 3.05Å; R3094-E3097 PolarHBondContact NH1-OE1 3.13Å; R3094-E3097 VanDerWaalsContact NH1-OE1 3.07Å; R3094-E3097 IonicContact NH1-OE2 3.12Å; R3094-E3097 PolarHBondContact NH1-OE2 2.77Å; R3094-E3097 PolarHBondContact O-N 3.18Å | ||
| 3095 | P | 36.5 | Very low | 53.9 | Low | 139.6 Ų | 139.6 | 87.3 Ų | 87.3 | 91% | 0.906 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 116.1 | 176.2 | -25.2 | 34.8 | 0 | 0 | 0 | 111.8 | ||
| 3096 | G | 41.7 | Very low | 51.1 | Low | 71 Ų | 71 | 91.8 Ų | 91.8 | 73% | 0.732 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 107.1 | -15.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | R3094 | R3094-G3096 PolarHBondContact O-N 3.15Å; R3094-G3096 VanDerWaalsContact O-N 3.13Å |
| 3097 | E | 43.8 | Very low | 48.3 | Very low | 104.4 Ų | 104.4 | 91 Ų | 91 | 49% | 0.488 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -88.9 | -10.7 | -172 | -73 | 179.6 | 176.1 | 0 | 0 | 115 | R3094 S3099 G3100 | R3094-E3097 HydrophobicContact CB-CB 4.45Å; R3094-E3097 HydrophobicContact CB-CG 4.27Å; R3094-E3097 VanDerWaalsContact CD-CD 3.45Å; R3094-E3097 WeakPolarHBondContact CD-OE1 3.38Å; R3094-E3097 VanDerWaalsContact CD-OE2 3.25Å; R3094-E3097 WeakPolarHBondContact CD-OE2 3.4Å; R3094-E3097 IonicContact NE-OE2 3.41Å; R3094-E3097 IonicContact NH1-OE1 3.05Å; R3094-E3097 PolarHBondContact NH1-OE1 3.13Å; R3094-E3097 VanDerWaalsContact NH1-OE1 3.07Å; R3094-E3097 IonicContact NH1-OE2 3.12Å; R3094-E3097 PolarHBondContact NH1-OE2 2.77Å; R3094-E3097 PolarHBondContact O-N 3.18Å; E3097-S3099 VanDerWaalsContact C-N 3.26Å; E3097-S3099 PolarHBondContact O-N 3.14Å; E3097-G3100 PolarHBondContact O-N 3.07Å |
| 3098 | R | 48.6 | Very low | 45.7 | Very low | 55.4 Ų | 55.4 | 91.7 Ų | 91.7 | 21% | 0.209 | 57% | 0.574 | C | S | . | * | G | 310 helix | trans | -58.9 | -33.7 | 177.6 | -96 | -172.1 | 176.7 | -164.2 | 1.8 | 113.4 | E2897 L2937 G3100 | E2897-R3098 VanDerWaalsContact CD-CB 3.5Å; E2897-R3098 VanDerWaalsContact OE1-CB 3.26Å; E2897-R3098 WeakPolarHBondContact OE1-CB 3.38Å; E2897-R3098 WeakPolarHBondContact OE1-CD 3.42Å; E2897-R3098 WeakPolarHBondContact OE2-CB 3.35Å; L2937-R3098 HydrophobicContact CD1-CG 4.41Å; R3098-G3100 VanDerWaalsContact C-N 3.26Å; R3098-G3100 PolarHBondContact O-N 3.11Å |
| 3099 | S | 33.5 | Very low | 43 | Very low | 99.8 Ų | 99.8 | 97.5 Ų | 97.5 | 70% | 0.698 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -80.7 | 3.8 | 178.2 | -45 | 0 | 0 | 0 | 0 | 114.3 | E2897 E3097 | E2897-S3099 PolarHBondContact OE2-OG 2.69Å; E2897-S3099 VanDerWaalsContact OE2-OG 3.08Å; E3097-S3099 VanDerWaalsContact C-N 3.26Å; E3097-S3099 PolarHBondContact O-N 3.14Å |
| 3100 | G | 30 | Very low | 40.4 | Very low | 63.8 Ų | 63.8 | 104.9 Ų | 104.9 | 66% | 0.658 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -91.3 | -5.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | E3097 R3098 L3102 | E3097-G3100 PolarHBondContact O-N 3.07Å; R3098-G3100 VanDerWaalsContact C-N 3.26Å; R3098-G3100 PolarHBondContact O-N 3.11Å; G3100-L3102 PolarHBondContact O-N 3.35Å |
| 3101 | L | 31.7 | Very low | 37.7 | Very low | 146.8 Ų | 146.8 | 106.4 Ų | 106.4 | 77% | 0.769 | 66% | 0.662 | S | S | * | * | trans | -120.5 | 52.4 | -164.4 | -140.7 | 108.9 | 0 | 0 | 0 | 115 | I3103 | L3101-I3103 VanDerWaalsContact C-N 3.27Å; L3101-I3103 PolarHBondContact O-N 3.33Å | ||
| 3102 | L | 26.8 | Very low | 35.7 | Very low | 165.8 Ų | 165.8 | 108.4 Ų | 108.4 | 87% | 0.868 | 68% | 0.677 | S | S | * | * | trans | -87.1 | 117.2 | 165.5 | -83 | 170.9 | 0 | 0 | 0 | 111.3 | G3100 G3104 | G3100-L3102 PolarHBondContact O-N 3.35Å; L3102-G3104 PolarHBondContact O-N 3.17Å | ||
| 3103 | I | 27.7 | Very low | 33.9 | Very low | 155.6 Ų | 155.6 | 113.1 Ų | 113.1 | 80% | 0.798 | 70% | 0.699 | S | S | * | * | trans | -61.2 | 99.1 | -178.4 | -55.5 | 172.1 | 0 | 0 | 0 | 112.1 | L3101 S3105 | L3101-I3103 VanDerWaalsContact C-N 3.27Å; L3101-I3103 PolarHBondContact O-N 3.33Å; I3103-S3105 VanDerWaalsContact C-N 3.26Å; I3103-S3105 WeakPolarHBondContact CG2-OG 3.18Å; I3103-S3105 PolarHBondContact O-N 3Å | ||
| 3104 | G | 25.8 | Very low | 32.3 | Very low | 74.6 Ų | 74.6 | 115.6 Ų | 115.6 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | trans | -116.1 | 38.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L3102 A3106 | L3102-G3104 PolarHBondContact O-N 3.17Å; G3104-A3106 PolarHBondContact O-N 3.27Å; G3104-A3106 VanDerWaalsContact O-N 3.09Å | ||
| 3105 | S | 26.9 | Very low | 31.1 | Very low | 116 Ų | 116 | 112.7 Ų | 112.7 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | trans | -78.4 | 90.5 | 179.3 | -83.4 | 0 | 0 | 0 | 0 | 112 | I3103 G3107 | I3103-S3105 VanDerWaalsContact C-N 3.26Å; I3103-S3105 WeakPolarHBondContact CG2-OG 3.18Å; I3103-S3105 PolarHBondContact O-N 3Å; S3105-G3107 PolarHBondContact O-N 3.05Å; S3105-G3107 VanDerWaalsContact O-N 3.12Å | ||
| 3106 | A | 26.8 | Very low | 30.6 | Very low | 97.2 Ų | 97.2 | 111.9 Ų | 111.9 | 80% | 0.803 | 73% | 0.732 | S | S | * | * | trans | -88.7 | 116.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | G3104 | G3104-A3106 PolarHBondContact O-N 3.27Å; G3104-A3106 VanDerWaalsContact O-N 3.09Å | ||
| 3107 | G | 26.5 | Very low | 30 | Very low | 62.4 Ų | 62.4 | 114.7 Ų | 114.7 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | trans | -62.9 | 143.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S3105 N3109 | S3105-G3107 PolarHBondContact O-N 3.05Å; S3105-G3107 VanDerWaalsContact O-N 3.12Å; G3107-N3109 PolarHBondContact O-N 3.42Å | ||
| 3108 | P | 30.4 | Very low | 29.1 | Very low | 126.6 Ų | 126.6 | 113.8 Ų | 113.8 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | trans | -75.9 | 128.2 | 178.1 | 30.5 | -33.8 | 0 | 0 | 0 | 112.1 | N3110 | P3108-N3110 PolarHBondContact O-N 2.92Š| ||
| 3109 | N | 26.6 | Very low | 28.1 | Very low | 152.4 Ų | 152.4 | 117.8 Ų | 117.8 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | trans | -80 | 122.8 | 164.4 | -74.3 | -26.2 | 0 | 0 | 0 | 113.8 | G3107 | G3107-N3109 PolarHBondContact O-N 3.42Š| ||
| 3110 | N | 29.4 | Very low | 27.8 | Very low | 157.8 Ų | 157.8 | 119.9 Ų | 119.9 | 84% | 0.844 | 77% | 0.773 | S | S | * | * | trans | -155 | 113.5 | 140 | -101.1 | -6.8 | 0 | 0 | 0 | 112.3 | P3108 | P3108-N3110 PolarHBondContact O-N 2.92Š| ||
| 3111 | S | 27.5 | Very low | 27.8 | Very low | 107 Ų | 107 | 123.9 Ų | 123.9 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -54.9 | 142.2 | 140.5 | 56.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 3112 | S | 28.1 | Very low | 27.8 | Very low | 89 Ų | 89 | 122.1 Ų | 122.1 | 62% | 0.622 | 78% | 0.775 | S | S | * | * | cis | 179.2 | 151.6 | 45.6 | 49.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 3113 | H | 29.8 | Very low | 28.3 | Very low | 170 Ų | 170 | 119.3 Ų | 119.3 | 79% | 0.787 | 77% | 0.767 | S | S | * | * | 143.6 | 125.7 | 127.9 | -80.6 | -64.2 | 0 | 0 | 0 | 114.1 | |||||
| 3114 | T | 26.8 | Very low | 28.4 | Very low | 130.2 Ų | 130.2 | 120.4 Ų | 120.4 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | 60.5 | 125.7 | 92.3 | 52.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 3115 | G | 28.2 | Very low | 28.6 | Very low | 81.8 Ų | 81.8 | 123.6 Ų | 123.6 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | 176.1 | 117.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 3116 | S | 25.6 | Very low | 28.7 | Very low | 121.4 Ų | 121.4 | 121.3 Ų | 121.3 | 85% | 0.849 | 77% | 0.768 | S | S | * | * | trans | -116.9 | 154.7 | -178.5 | -152.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 3117 | V | 29.1 | Very low | 28.7 | Very low | 130.2 Ų | 130.2 | 125.2 Ų | 125.2 | 79% | 0.789 | 77% | 0.77 | S | S | * | * | trans | -161.9 | 143.4 | 153.2 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | L3224 D3225 N3226 Y3227 | V3117-L3224 VanDerWaalsContact CG1-O 3.28Å; V3117-L3224 WeakPolarHBondContact CG1-O 3.43Å; V3117-D3225 WeakPolarHBondContact CB-O 3.29Å; V3117-D3225 VanDerWaalsContact CG1-O 3.28Å; V3117-D3225 WeakPolarHBondContact CG1-O 3.4Å; V3117-N3226 WeakPolarHBondContact O-CA 3.5Å; V3117-Y3227 PolarHBondContact O-N 3.15Å | ||
| 3118 | A | 26.2 | Very low | 28.8 | Very low | 85.2 Ų | 85.2 | 129.8 Ų | 129.8 | 70% | 0.704 | 78% | 0.778 | S | S | * | * | trans | -126.2 | 164.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N3226 | A3118-N3226 WeakPolarHBondContact CA-OD1 3.4Š| ||
| 3119 | L | 26.6 | Very low | 28.7 | Very low | 140.2 Ų | 140.2 | 127.1 Ų | 127.1 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -177.2 | 157.6 | 163.2 | -88.2 | 166.4 | 0 | 0 | 0 | 112.3 | D3225 N3226 | L3119-D3225 VanDerWaalsContact CB-OD1 3.24Å; L3119-D3225 WeakPolarHBondContact CB-OD1 3.34Å; L3119-D3225 HydrophobicContact CD1-CB 4.19Å; L3119-D3225 VanDerWaalsContact CD1-OD2 3.26Å; L3119-D3225 WeakPolarHBondContact CD1-OD2 3.03Å; L3119-N3226 WeakPolarHBondContact CA-ND2 3.38Å; L3119-N3226 WeakPolarHBondContact CB-ND2 3.46Å; L3119-N3226 PolarHBondContact N-ND2 3.35Å; L3119-N3226 VanDerWaalsContact N-ND2 3.15Å; L3119-N3226 PolarHBondContact N-OD1 3.44Å; L3119-N3226 PolarHBondContact O-ND2 2.83Å; L3119-N3226 PolarHBondContact O-OD1 3.03Å | ||
| 3120 | N | 27.9 | Very low | 28.7 | Very low | 143 Ų | 143 | 126 Ų | 126 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | -143.2 | 153.7 | 161 | -97 | -31.7 | 0 | 0 | 0 | 113.4 | ||||
| 3121 | I | 29.2 | Very low | 28.5 | Very low | 147.8 Ų | 147.8 | 126.9 Ų | 126.9 | 76% | 0.758 | 77% | 0.772 | S | S | * | * | 162.1 | 142.2 | 125.3 | -73.2 | 171.1 | 0 | 0 | 0 | 111.5 | |||||
| 3122 | P | 31.9 | Very low | 28.5 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | trans | -124.1 | -165.1 | -134.8 | 43.5 | -27.4 | 0 | 0 | 0 | 113 | ||||
| 3123 | P | 36.7 | Very low | 28.4 | Very low | 108.6 Ų | 108.6 | 127.4 Ų | 127.4 | 71% | 0.705 | 77% | 0.766 | S | S | * | * | trans | -117.9 | 165.7 | -153.6 | 38.8 | -26.8 | 0 | 0 | 0 | 116.1 | ||||
| 3124 | H | 29.4 | Very low | 28.2 | Very low | 178.4 Ų | 178.4 | 125.9 Ų | 125.9 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | trans | 171 | 129 | 156.4 | -89 | -67.5 | 0 | 0 | 0 | 119.3 | ||||
| 3125 | T | 30.5 | Very low | 28.2 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | trans | -95.9 | 153.7 | 150.5 | 34.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 3126 | G | 28.5 | Very low | 28.2 | Very low | 68.6 Ų | 68.6 | 131.1 Ų | 131.1 | 71% | 0.707 | 76% | 0.756 | S | S | * | * | cis | 159.6 | 124.3 | 32.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 3127 | H | 28.4 | Very low | 28.3 | Very low | 178.8 Ų | 178.8 | 129.3 Ų | 129.3 | 83% | 0.828 | 74% | 0.744 | S | S | * | * | 106.7 | 142.6 | 84.9 | -114.3 | -61.5 | 0 | 0 | 0 | 115.3 | |||||
| 3128 | I | 27.6 | Very low | 28.2 | Very low | 159.4 Ų | 159.4 | 132.3 Ų | 132.3 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | trans | 75.5 | 133.3 | 156.7 | -49.9 | 174.5 | 0 | 0 | 0 | 115.4 | V3130 | I3128-V3130 HydrophobicContact CG2-CG2 3.57Š| ||
| 3129 | G | 27.6 | Very low | 28.2 | Very low | 68.6 Ų | 68.6 | 131.3 Ų | 131.3 | 71% | 0.707 | 75% | 0.747 | S | S | * | * | cis | 161.4 | 149.9 | -9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 3130 | V | 27 | Very low | 28.3 | Very low | 130.4 Ų | 130.4 | 129.9 Ų | 129.9 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | trans | 116 | 114.1 | 161.5 | -175.9 | 0 | 0 | 0 | 0 | 116.3 | I3128 | I3128-V3130 HydrophobicContact CG2-CG2 3.57Š| ||
| 3131 | M | 26.8 | Very low | 28.3 | Very low | 176.6 Ų | 176.6 | 128.2 Ų | 128.2 | 87% | 0.87 | 75% | 0.748 | S | S | * | * | trans | 99.5 | 141.1 | 138.8 | -85 | -179.1 | 165.4 | 0 | 0 | 119.2 | K3178 | M3131-K3178 WeakPolarHBondContact O-CE 3.49Å; M3131-K3178 PolarHBondContact O-NZ 3.18Å | ||
| 3132 | S | 26 | Very low | 28.3 | Very low | 83.4 Ų | 83.4 | 126.5 Ų | 126.5 | 58% | 0.583 | 75% | 0.75 | S | S | * | * | 109.3 | 133.2 | 117.1 | 18.7 | 0 | 0 | 0 | 0 | 116.6 | K3178 | S3132-K3178 WeakPolarHBondContact O-CE 3.11Š| |||
| 3133 | N | 26.9 | Very low | 28 | Very low | 122.6 Ų | 122.6 | 126.2 Ų | 126.2 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | 147.3 | 142.8 | 115.1 | -78.3 | -25.1 | 0 | 0 | 0 | 115.6 | K3179 E3181 | N3133-K3179 HydrophobicContact CB-CB 3.72Å; N3133-K3179 VanDerWaalsContact OD1-CB 3.3Å; N3133-K3179 WeakPolarHBondContact OD1-CB 3.17Å; N3133-K3179 WeakPolarHBondContact OD1-CD 3.47Å; N3133-E3181 PolarHBondContact ND2-OE1 2.87Å; N3133-E3181 PolarHBondContact OD1-OE1 3.36Å | |||
| 3134 | L | 25 | Very low | 27.6 | Very low | 138.2 Ų | 138.2 | 128.8 Ų | 128.8 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | trans | -162.8 | 148.5 | 138.4 | -116.6 | 83.1 | 0 | 0 | 0 | 115.1 | E3176 | L3134-E3176 HydrophobicContact CD1-CG 3.87Š| ||
| 3135 | H | 27.7 | Very low | 27.4 | Very low | 159.6 Ų | 159.6 | 125.2 Ų | 125.2 | 74% | 0.739 | 75% | 0.752 | S | S | * | * | trans | 174 | 151.4 | 158.9 | -79.4 | -65 | 0 | 0 | 0 | 115 | ||||
| 3136 | H | 28.3 | Very low | 27.4 | Very low | 161.2 Ų | 161.2 | 123.5 Ų | 123.5 | 75% | 0.746 | 75% | 0.745 | S | S | * | * | cis | -131.4 | 150.5 | 43.1 | -108.1 | -41.4 | 0 | 0 | 0 | 113.3 | ||||
| 3137 | S | 27.6 | Very low | 27.3 | Very low | 85.4 Ų | 85.4 | 127.3 Ų | 127.3 | 60% | 0.597 | 75% | 0.749 | S | S | * | * | 59.1 | 143.8 | 78 | 94 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 3138 | Q | 26.6 | Very low | 27.2 | Very low | 192.2 Ų | 192.2 | 124.1 Ų | 124.1 | 90% | 0.898 | 75% | 0.746 | S | S | * | * | 163.2 | 152.3 | 53.6 | -84.2 | 171.3 | 1.5 | 0 | 0 | 114.2 | |||||
| 3139 | G | 26.9 | Very low | 27.2 | Very low | 65.2 Ų | 65.2 | 122 Ų | 122 | 67% | 0.672 | 75% | 0.745 | S | S | * | * | trans | 160.1 | 114.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 3140 | S | 28.6 | Very low | 27.1 | Very low | 109.6 Ų | 109.6 | 122.8 Ų | 122.8 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | trans | 45.3 | 137 | 153.4 | 27.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 3141 | S | 27.1 | Very low | 27.1 | Very low | 107 Ų | 107 | 120.1 Ų | 120.1 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | 96.5 | 134.3 | 102.2 | 54.6 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 3142 | S | 28.4 | Very low | 27 | Very low | 112.8 Ų | 112.8 | 118.5 Ų | 118.5 | 79% | 0.789 | 75% | 0.752 | S | S | * | * | 126.5 | 143.4 | 120.6 | 65.5 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 3143 | S | 27.2 | Very low | 26.9 | Very low | 102.6 Ų | 102.6 | 119.9 Ų | 119.9 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | trans | -176.9 | 144.4 | 158.4 | 16.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 3144 | I | 27.2 | Very low | 26.9 | Very low | 163.2 Ų | 163.2 | 120.5 Ų | 120.5 | 84% | 0.837 | 77% | 0.769 | S | S | * | * | trans | 108.2 | 142.9 | 136.1 | -60.1 | 163.6 | 0 | 0 | 0 | 114 | ||||
| 3145 | S | 26.2 | Very low | 26.9 | Very low | 103.6 Ų | 103.6 | 118.9 Ų | 118.9 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | trans | 178.2 | 144 | 175.1 | 57.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 3146 | S | 29 | Very low | 26.8 | Very low | 105.4 Ų | 105.4 | 119.7 Ų | 119.7 | 74% | 0.737 | 78% | 0.776 | S | S | * | * | 145.3 | 129.7 | 113.8 | 64.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 3147 | N | 27.7 | Very low | 26.6 | Very low | 147 Ų | 147 | 117 Ų | 117 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | 161.7 | 141.6 | 138 | -77.7 | -14.5 | 0 | 0 | 0 | 113.4 | ||||
| 3148 | C | 25.3 | Very low | 26.7 | Very low | 112.4 Ų | 112.4 | 119 Ų | 119 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | -129.2 | 146.2 | 101.4 | -40.2 | 0 | 0 | 0 | 0 | 111 | |||||
| 3149 | S | 27.9 | Very low | 26.6 | Very low | 115.2 Ų | 115.2 | 117.5 Ų | 117.5 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | 96.8 | 133.4 | 102.8 | -15.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 3150 | G | 25.9 | Very low | 26.6 | Very low | 85.2 Ų | 85.2 | 117.8 Ų | 117.8 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | trans | 178.6 | 143.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 3151 | G | 26.1 | Very low | 26.6 | Very low | 73.6 Ų | 73.6 | 119.1 Ų | 119.1 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | -166.1 | 141.1 | -173 | 0 | 0 | 0 | 0 | 0 | 113.9 | C3153 | G3151-C3153 PolarHBondContact O-N 3.18Š| ||
| 3152 | T | 25.9 | Very low | 26.5 | Very low | 142.4 Ų | 142.4 | 120.3 Ų | 120.3 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -48.8 | 140.5 | 151.2 | 10.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 3153 | C | 23.7 | Very low | 26.4 | Very low | 112.8 Ų | 112.8 | 121.8 Ų | 121.8 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -151.2 | 147.1 | 157.6 | -71 | 0 | 0 | 0 | 0 | 114.2 | G3151 | G3151-C3153 PolarHBondContact O-N 3.18Š| ||
| 3154 | T | 26.8 | Very low | 26.5 | Very low | 136.6 Ų | 136.6 | 123.7 Ų | 123.7 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -177.3 | 127 | 139 | 52.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 3155 | S | 23.9 | Very low | 26.5 | Very low | 103.6 Ų | 103.6 | 121 Ų | 121 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | -169.9 | 132 | 114.1 | 66.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 3156 | M | 25.3 | Very low | 26.6 | Very low | 175.8 Ų | 175.8 | 120.4 Ų | 120.4 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | 178.2 | 139.6 | 105.6 | -62.7 | -144.8 | 73 | 0 | 0 | 112.3 | |||||
| 3157 | S | 25.8 | Very low | 26.5 | Very low | 105.8 Ų | 105.8 | 124.8 Ų | 124.8 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | trans | -130.3 | 143.8 | 146.8 | -45.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 3158 | V | 28.1 | Very low | 26.5 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | 179.5 | 145.2 | 128.1 | 170.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 3159 | D | 25 | Very low | 26.6 | Very low | 160.4 Ų | 160.4 | 126.8 Ų | 126.8 | 86% | 0.858 | 78% | 0.782 | S | S | * | * | trans | -4.3 | 147.2 | 167.9 | -55.7 | -48.8 | 0 | 0 | 0 | 117.8 | ||||
| 3160 | G | 27.6 | Very low | 26.6 | Very low | 70.4 Ų | 70.4 | 127.4 Ų | 127.4 | 73% | 0.726 | 78% | 0.781 | S | S | * | * | trans | 169.7 | 138.9 | 140 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 3161 | V | 27.7 | Very low | 26.7 | Very low | 137 Ų | 137 | 128 Ų | 128 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | trans | 82.9 | 139.6 | 173.8 | -159.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 3162 | D | 25.8 | Very low | 26.8 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | -120.2 | 153 | 143 | -80.7 | -62.2 | 0 | 0 | 0 | 116.1 | ||||
| 3163 | L | 26.5 | Very low | 26.9 | Very low | 144.2 Ų | 144.2 | 133 Ų | 133 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | 83.3 | 126.1 | 107.4 | -117.9 | 80 | 0 | 0 | 0 | 119.2 | |||||
| 3164 | I | 28.5 | Very low | 27.1 | Very low | 141.6 Ų | 141.6 | 132.8 Ų | 132.8 | 73% | 0.726 | 77% | 0.769 | S | S | * | * | 59.9 | 118.3 | 120.2 | -61.4 | 169.8 | 0 | 0 | 0 | 119 | Y3234 | I3164-Y3234 WeakPolarHBondContact CG2-OH 3.29Š| |||
| 3165 | S | 27.3 | Very low | 27 | Very low | 107.6 Ų | 107.6 | 131 Ų | 131 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | 79.4 | 146.1 | 123.1 | -170.3 | 0 | 0 | 0 | 0 | 118.7 | Y3234 | S3165-Y3234 PolarHBondContact OG-OH 3.39Š| |||
| 3166 | A | 27.7 | Very low | 27.2 | Very low | 89.4 Ų | 89.4 | 133.9 Ų | 133.9 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | trans | -156.1 | 141.9 | 160 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 3167 | K | 27.1 | Very low | 27.2 | Very low | 199.2 Ų | 199.2 | 131.7 Ų | 131.7 | 87% | 0.866 | 76% | 0.755 | S | S | * | * | trans | -149.6 | 145.6 | 151.6 | -105.6 | -177.8 | -179.8 | 179.7 | 0 | 116 | ||||
| 3168 | K | 28.3 | Very low | 27.3 | Very low | 176.6 Ų | 176.6 | 135.3 Ų | 135.3 | 77% | 0.768 | 76% | 0.758 | S | S | * | * | trans | -137.6 | 154.4 | 158.8 | -134.5 | -179.2 | 168.6 | -137.2 | 0 | 110.4 | ||||
| 3169 | D | 27.4 | Very low | 27.2 | Very low | 123.6 Ų | 123.6 | 137.4 Ų | 137.4 | 66% | 0.661 | 76% | 0.756 | S | S | * | * | trans | -169.3 | 154.3 | 160.6 | -72.4 | -46.7 | 0 | 0 | 0 | 113.8 | ||||
| 3170 | T | 29.1 | Very low | 27.5 | Very low | 128.4 Ų | 128.4 | 134.8 Ų | 134.8 | 79% | 0.788 | 75% | 0.748 | S | S | * | * | trans | 80.2 | 154.1 | 146 | 29 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 3171 | S | 27.6 | Very low | 27.4 | Very low | 98.2 Ų | 98.2 | 138 Ų | 138 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | cis | -167.2 | 153.8 | 23.1 | 29.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 3172 | L | 27.3 | Very low | 27.5 | Very low | 148.6 Ų | 148.6 | 140.4 Ų | 140.4 | 78% | 0.778 | 74% | 0.744 | S | S | * | * | 76.5 | 134.4 | 118.8 | -64.5 | 165.8 | 0 | 0 | 0 | 117.2 | |||||
| 3173 | Q | 27.5 | Very low | 27.5 | Very low | 171.2 Ų | 171.2 | 139.4 Ų | 139.4 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | cis | 166.8 | 153.4 | 43.4 | -115.8 | 171.1 | -4.6 | 0 | 0 | 113.4 | ||||
| 3174 | S | 28 | Very low | 27.7 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | 176.2 | 151.9 | 65.7 | 47.6 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 3175 | S | 25.5 | Very low | 27.6 | Very low | 99.6 Ų | 99.6 | 143 Ų | 143 | 70% | 0.697 | 75% | 0.748 | S | S | * | * | -153.1 | 154.7 | 82.7 | -24.6 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 3176 | E | 27 | Very low | 27.7 | Very low | 163.8 Ų | 163.8 | 144.8 Ų | 144.8 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | cis | -163.8 | -175.3 | 43.7 | -129.8 | 173.7 | 144.6 | 0 | 0 | 112.4 | L3134 | L3134-E3176 HydrophobicContact CD1-CG 3.87Š| ||
| 3177 | L | 26.3 | Very low | 27.6 | Very low | 129.8 Ų | 129.8 | 151.3 Ų | 151.3 | 68% | 0.68 | 75% | 0.753 | S | S | * | * | trans | -140.4 | 140.4 | 174.3 | -102.9 | 103.6 | 0 | 0 | 0 | 113.3 | ||||
| 3178 | K | 27.2 | Very low | 27.7 | Very low | 182.6 Ų | 182.6 | 147.4 Ų | 147.4 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | 177.9 | 151.7 | 111.2 | -107.8 | 160.4 | -169.7 | 171.3 | 0 | 115.8 | M3131 S3132 | M3131-K3178 WeakPolarHBondContact O-CE 3.49Å; M3131-K3178 PolarHBondContact O-NZ 3.18Å; S3132-K3178 WeakPolarHBondContact O-CE 3.11Å | |||
| 3179 | K | 25.6 | Very low | 27.7 | Very low | 170.8 Ų | 170.8 | 145.2 Ų | 145.2 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | -140.7 | 170.5 | 170.2 | -116.9 | -173.4 | -178.6 | -173.3 | 0 | 111.8 | N3133 E3181 | N3133-K3179 HydrophobicContact CB-CB 3.72Å; N3133-K3179 VanDerWaalsContact OD1-CB 3.3Å; N3133-K3179 WeakPolarHBondContact OD1-CB 3.17Å; N3133-K3179 WeakPolarHBondContact OD1-CD 3.47Å; K3179-E3181 VanDerWaalsContact CE-OE1 3.3Å; K3179-E3181 WeakPolarHBondContact CE-OE1 3.29Å; K3179-E3181 IonicContact NZ-OE1 2.66Å; K3179-E3181 PolarHBondContact NZ-OE1 3.16Å | ||
| 3180 | P | 32.8 | Very low | 27.5 | Very low | 105.6 Ų | 105.6 | 145.9 Ų | 145.9 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | cis | -142.3 | 179.2 | 41.8 | 39.1 | -21.3 | 0 | 0 | 0 | 116.4 | ||||
| 3181 | E | 25.6 | Very low | 27.3 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | trans | 39.3 | 145.4 | 158.7 | -62.4 | 136.7 | -156.8 | 0 | 0 | 118.9 | N3133 K3179 | N3133-E3181 PolarHBondContact ND2-OE1 2.87Å; N3133-E3181 PolarHBondContact OD1-OE1 3.36Å; K3179-E3181 VanDerWaalsContact CE-OE1 3.3Å; K3179-E3181 WeakPolarHBondContact CE-OE1 3.29Å; K3179-E3181 IonicContact NZ-OE1 2.66Å; K3179-E3181 PolarHBondContact NZ-OE1 3.16Å | ||
| 3182 | F | 28.3 | Very low | 27.2 | Very low | 186.2 Ų | 186.2 | 148 Ų | 148 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | -153.5 | 151.5 | 123.9 | -118.1 | -80.8 | 0 | 0 | 0 | 113.7 | |||||
| 3183 | T | 27 | Very low | 27 | Very low | 113.2 Ų | 113.2 | 147.3 Ų | 147.3 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | trans | -130.4 | 159.9 | -162.6 | 29.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 3184 | R | 29.6 | Very low | 26.9 | Very low | 222.8 Ų | 222.8 | 144 Ų | 144 | 84% | 0.841 | 74% | 0.743 | S | S | * | * | trans | -153.5 | 144.8 | 155.4 | -90.5 | 171.9 | 179.2 | 174.2 | 0.4 | 114.6 | I3186 | R3184-I3186 PolarHBondContact O-N 3.43Å; R3184-I3186 VanDerWaalsContact O-N 3.15Å | ||
| 3185 | N | 27.8 | Very low | 26.8 | Very low | 138 Ų | 138 | 145.4 Ų | 145.4 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | cis | -133.2 | 133.2 | 39.8 | -103.8 | -14 | 0 | 0 | 0 | 112.4 | ||||
| 3186 | I | 28.5 | Very low | 26.8 | Very low | 145.2 Ų | 145.2 | 147.8 Ų | 147.8 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | trans | 34.9 | 128.6 | 148.8 | -58 | 174.4 | 0 | 0 | 0 | 114.9 | R3184 | R3184-I3186 PolarHBondContact O-N 3.43Å; R3184-I3186 VanDerWaalsContact O-N 3.15Å | ||
| 3187 | R | 25.3 | Very low | 26.7 | Very low | 225.2 Ų | 225.2 | 145.5 Ų | 145.5 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | -150.7 | 153 | 125.6 | -83.7 | -175.7 | 173.1 | -177.1 | -2.5 | 111.4 | V3189 | R3187-V3189 PolarHBondContact O-N 2.84Š| |||
| 3188 | P | 30.3 | Very low | 26.7 | Very low | 117.4 Ų | 117.4 | 148 Ų | 148 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | -95.9 | 163.3 | -161.9 | 35.7 | -29.9 | 0 | 0 | 0 | 111.4 | L3190 | P3188-L3190 PolarHBondContact O-N 3.14Š| ||
| 3189 | V | 26.7 | Very low | 26.6 | Very low | 131.4 Ų | 131.4 | 147.8 Ų | 147.8 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | trans | -116.1 | 126.1 | 163.7 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | R3187 V3191 | R3187-V3189 PolarHBondContact O-N 2.84Å; V3189-V3191 HydrophobicContact CG1-CG2 4.09Å; V3189-V3191 PolarHBondContact O-N 2.9Å | ||
| 3190 | L | 24.5 | Very low | 26.7 | Very low | 138.6 Ų | 138.6 | 145.9 Ų | 145.9 | 73% | 0.726 | 76% | 0.761 | S | S | * | * | trans | -123.4 | 136.8 | 167.1 | -165.3 | 57.8 | 0 | 0 | 0 | 107.5 | P3188 M3192 I3193 | P3188-L3190 PolarHBondContact O-N 3.14Å; L3190-M3192 VanDerWaalsContact C-N 3.35Å; L3190-M3192 HydrophobicContact CD2-CG 4.34Å; L3190-M3192 HydrophobicContact CD2-SD 3.95Å; L3190-M3192 HydrophobicContact CG-CG 4.36Å; L3190-M3192 HydrophobicContact CG-SD 4.43Å; L3190-M3192 PolarHBondContact O-N 3.33Å; L3190-M3192 VanDerWaalsContact O-N 3.1Å; L3190-I3193 HydrophobicContact CD2-CD1 4.16Å; L3190-I3193 HydrophobicContact CD2-CG1 4.41Å; L3190-I3193 HydrophobicContact CG-CG1 4.45Å | ||
| 3191 | V | 25.3 | Very low | 26.4 | Very low | 116 Ų | 116 | 147.7 Ų | 147.7 | 70% | 0.703 | 77% | 0.765 | S | S | * | * | trans | -88.3 | 113.7 | 136.7 | -177 | 0 | 0 | 0 | 0 | 112.5 | V3189 I3193 | V3189-V3191 HydrophobicContact CG1-CG2 4.09Å; V3189-V3191 PolarHBondContact O-N 2.9Å; V3191-I3193 HydrophobicContact CG1-CB 4.44Å; V3191-I3193 HydrophobicContact CG1-CD1 4.22Å; V3191-I3193 HydrophobicContact CG1-CG1 4.03Å; V3191-I3193 PolarHBondContact O-N 3.18Å | ||
| 3192 | M | 24.1 | Very low | 26.5 | Very low | 153 Ų | 153 | 148 Ų | 148 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | -109.1 | 126 | 152.1 | -72.7 | -64 | -71.2 | 0 | 0 | 109.2 | L3190 S3194 | L3190-M3192 VanDerWaalsContact C-N 3.35Å; L3190-M3192 HydrophobicContact CD2-CG 4.34Å; L3190-M3192 HydrophobicContact CD2-SD 3.95Å; L3190-M3192 HydrophobicContact CG-CG 4.36Å; L3190-M3192 HydrophobicContact CG-SD 4.43Å; L3190-M3192 PolarHBondContact O-N 3.33Å; L3190-M3192 VanDerWaalsContact O-N 3.1Å; M3192-S3194 PolarHBondContact O-N 3.1Å | ||
| 3193 | I | 24 | Very low | 26.5 | Very low | 134.8 Ų | 134.8 | 148.9 Ų | 148.9 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | -98.3 | 125 | 157.8 | -59 | 172.7 | 0 | 0 | 0 | 108 | L3190 V3191 D3195 | L3190-I3193 HydrophobicContact CD2-CD1 4.16Å; L3190-I3193 HydrophobicContact CD2-CG1 4.41Å; L3190-I3193 HydrophobicContact CG-CG1 4.45Å; V3191-I3193 HydrophobicContact CG1-CB 4.44Å; V3191-I3193 HydrophobicContact CG1-CD1 4.22Å; V3191-I3193 HydrophobicContact CG1-CG1 4.03Å; V3191-I3193 PolarHBondContact O-N 3.18Å; I3193-D3195 WeakPolarHBondContact CG2-OD2 3.07Å | ||
| 3194 | S | 25.6 | Very low | 26.5 | Very low | 101.8 Ų | 101.8 | 150.3 Ų | 150.3 | 71% | 0.712 | 77% | 0.767 | S | S | * | * | trans | -137.6 | 129.6 | 154.3 | -38.6 | 0 | 0 | 0 | 0 | 108.6 | M3192 N3196 | M3192-S3194 PolarHBondContact O-N 3.1Å; S3194-N3196 PolarHBondContact O-N 2.86Å | ||
| 3195 | D | 24.7 | Very low | 26.4 | Very low | 137.6 Ų | 137.6 | 149.2 Ų | 149.2 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | -92.5 | 144.5 | 168.2 | -71.5 | -43.1 | 0 | 0 | 0 | 113.4 | I3193 | I3193-D3195 WeakPolarHBondContact CG2-OD2 3.07Š| ||
| 3196 | N | 26.9 | Very low | 26.4 | Very low | 151.2 Ų | 151.2 | 149.9 Ų | 149.9 | 81% | 0.809 | 77% | 0.765 | S | S | * | * | trans | 94.5 | 135.3 | 154 | -59.7 | -35.2 | 0 | 0 | 0 | 116.6 | S3194 | S3194-N3196 PolarHBondContact O-N 2.86Š| ||
| 3197 | C | 25.1 | Very low | 26.4 | Very low | 114.6 Ų | 114.6 | 149.7 Ų | 149.7 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | -142.8 | 150.8 | 122.6 | -87.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 3198 | E | 25.7 | Very low | 26.7 | Very low | 183.2 Ų | 183.2 | 144.2 Ų | 144.2 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | -174.4 | 162.2 | 139.1 | -72.4 | 176.8 | 155 | 0 | 0 | 114.1 | K3051 | K3051-E3198 IonicContact NZ-OE1 2.66Š| ||
| 3199 | E | 24.9 | Very low | 26.5 | Very low | 177.4 Ų | 177.4 | 144.6 Ų | 144.6 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | trans | -90.3 | 150.8 | 173.1 | -71 | 177.1 | 150.3 | 0 | 0 | 113.8 | ||||
| 3200 | T | 28.8 | Very low | 26.6 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | -175.5 | 157.2 | 80.6 | 21.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 3201 | D | 25.9 | Very low | 26.8 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | -89.6 | 150.6 | 163.1 | -82.4 | -57.1 | 0 | 0 | 0 | 114.8 | ||||
| 3202 | I | 28.4 | Very low | 26.8 | Very low | 145.75 Ų | 145.75 | 146.3 Ų | 146.3 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | 165.6 | 129.2 | 126.2 | -84.9 | 161.6 | 0 | 0 | 0 | 115.4 | |||||
| 3203 | Y | 27.9 | Very low | 27 | Very low | 204.75 Ų | 204.75 | 144.8 Ų | 144.8 | 80% | 0.803 | 76% | 0.76 | S | S | * | * | trans | 29.5 | 122.2 | 154.1 | -82.1 | -94.2 | 0 | 0 | 0 | 119.4 | ||||
| 3204 | Q | 26.8 | Very low | 27.2 | Very low | 141.75 Ų | 141.75 | 143.4 Ų | 143.4 | 66% | 0.662 | 76% | 0.763 | S | S | * | * | 63.1 | 129.2 | 129.9 | -81.5 | -169.9 | 36.1 | 0 | 0 | 120.5 | |||||
| 3205 | R | 27.5 | Very low | 27.3 | Very low | 200.5 Ų | 200.5 | 146.8 Ų | 146.8 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | 139.3 | 138.3 | 91.1 | -142.2 | 170 | -81 | -157.7 | 2.7 | 113.2 | |||||
| 3206 | I | 28.5 | Very low | 27.4 | Very low | 153.75 Ų | 153.75 | 151.1 Ų | 151.1 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | trans | -125.2 | 129.1 | 158.3 | -74.7 | 166.3 | 0 | 0 | 0 | 109.5 | ||||
| 3207 | I | 27.3 | Very low | 27.4 | Very low | 139 Ų | 139 | 151 Ų | 151 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | 143.2 | 128.2 | 86.7 | -68.6 | 166.7 | 0 | 0 | 0 | 109.8 | T3209 | I3207-T3209 HydrophobicContact CG2-CG2 4.48Š| |||
| 3208 | P | 31.7 | Very low | 27.5 | Very low | 111.5 Ų | 111.5 | 156.2 Ų | 156.2 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | -119.1 | 173.1 | 57.2 | 31.9 | -17.2 | 0 | 0 | 0 | 113.4 | |||||
| 3209 | T | 26.5 | Very low | 27.6 | Very low | 124.5 Ų | 124.5 | 155.3 Ų | 155.3 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -139.4 | 149.6 | 154.4 | 29.8 | 0 | 0 | 0 | 0 | 112.7 | I3207 | I3207-T3209 HydrophobicContact CG2-CG2 4.48Š| ||
| 3210 | S | 29 | Very low | 27.8 | Very low | 105 Ų | 105 | 154.2 Ų | 154.2 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -145.8 | 142.7 | -174.8 | -58.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 3211 | I | 27.9 | Very low | 27.7 | Very low | 151.25 Ų | 151.25 | 154 Ų | 154 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | 50.6 | 128 | 147.6 | -61.1 | 169.7 | 0 | 0 | 0 | 117.7 | ||||
| 3212 | E | 26.3 | Very low | 27.8 | Very low | 166.5 Ų | 166.5 | 153.8 Ų | 153.8 | 78% | 0.778 | 76% | 0.763 | S | S | * | * | 139.6 | 141.5 | 124.9 | -98.2 | 174.5 | -163 | 0 | 0 | 117.3 | |||||
| 3213 | T | 27.9 | Very low | 27.7 | Very low | 120.75 Ų | 120.75 | 151.1 Ų | 151.1 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | 73.3 | 132.7 | 149.8 | 59.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 3214 | S | 27.9 | Very low | 27.7 | Very low | 105.5 Ų | 105.5 | 148.5 Ų | 148.5 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | 136.6 | 143.5 | 121.3 | -56.3 | 0 | 0 | 0 | 0 | 116 | |||||
| 3215 | Q | 27.7 | Very low | 27.7 | Very low | 173.5 Ų | 173.5 | 147.2 Ų | 147.2 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | trans | 129.9 | 154.2 | 140.1 | -75.3 | 174.6 | 18.8 | 0 | 0 | 115.6 | ||||
| 3216 | R | 27.3 | Very low | 27.8 | Very low | 228.5 Ų | 228.5 | 142.5 Ų | 142.5 | 86% | 0.862 | 74% | 0.744 | S | S | * | * | -150.3 | 145.9 | 125.7 | -106.9 | 173.6 | 179.4 | 161 | -3.1 | 114.2 | |||||
| 3217 | N | 25.8 | Very low | 27.7 | Very low | 148.5 Ų | 148.5 | 144.5 Ų | 144.5 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | trans | -26.5 | 140.2 | 157.8 | -69.9 | -22.1 | 0 | 0 | 0 | 115.4 | ||||
| 3218 | R | 28.4 | Very low | 27.6 | Very low | 224.25 Ų | 224.25 | 145 Ų | 145 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | -175.4 | 140.6 | 97.9 | -104.2 | 167.6 | -175.9 | -174.1 | 1.9 | 112.1 | |||||
| 3219 | Q | 26.7 | Very low | 27.5 | Very low | 163.25 Ų | 163.25 | 150.5 Ų | 150.5 | 76% | 0.763 | 75% | 0.748 | S | S | * | * | 32.7 | 134.6 | 129.2 | -67 | 174.7 | -60.9 | 0 | 0 | 116.7 | |||||
| 3220 | I | 28.7 | Very low | 27.5 | Very low | 153.75 Ų | 153.75 | 151.6 Ų | 151.6 | 79% | 0.788 | 75% | 0.75 | S | S | * | * | 168.8 | 145 | 113.6 | -84.4 | 163 | 0 | 0 | 0 | 111.6 | |||||
| 3221 | N | 26.6 | Very low | 27.9 | Very low | 128.75 Ų | 128.75 | 150.7 Ų | 150.7 | 69% | 0.689 | 74% | 0.741 | S | S | * | * | trans | -123.6 | 169.5 | -172.4 | -73.7 | 14.3 | 0 | 0 | 0 | 111.8 | ||||
| 3222 | D | 28.7 | Very low | 27.9 | Very low | 137.75 Ų | 137.75 | 153.4 Ų | 153.4 | 74% | 0.737 | 74% | 0.743 | S | S | * | * | 178.5 | 148.3 | 66.7 | -88.4 | -39.6 | 0 | 0 | 0 | 113.1 | |||||
| 3223 | S | 26.3 | Very low | 28 | Very low | 89.75 Ų | 89.75 | 151.7 Ų | 151.7 | 63% | 0.628 | 74% | 0.739 | S | S | * | * | 103.1 | 145.3 | 94.1 | 45.8 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 3224 | L | 28.1 | Very low | 27.9 | Very low | 151.25 Ų | 151.25 | 155.4 Ų | 155.4 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | trans | 127.5 | 160.9 | 155.1 | -98.1 | 87 | 0 | 0 | 0 | 114.6 | V3117 | V3117-L3224 VanDerWaalsContact CG1-O 3.28Å; V3117-L3224 WeakPolarHBondContact CG1-O 3.43Å | ||
| 3225 | D | 27.7 | Very low | 28.4 | Very low | 114.25 Ų | 114.25 | 154.8 Ų | 154.8 | 61% | 0.611 | 74% | 0.735 | S | S | * | * | -133.6 | 165.3 | -71.8 | -105.6 | -19.2 | 0 | 0 | 0 | 112.3 | V3117 L3119 | V3117-D3225 WeakPolarHBondContact CB-O 3.29Å; V3117-D3225 VanDerWaalsContact CG1-O 3.28Å; V3117-D3225 WeakPolarHBondContact CG1-O 3.4Å; L3119-D3225 VanDerWaalsContact CB-OD1 3.24Å; L3119-D3225 WeakPolarHBondContact CB-OD1 3.34Å; L3119-D3225 HydrophobicContact CD1-CB 4.19Å; L3119-D3225 VanDerWaalsContact CD1-OD2 3.26Å; L3119-D3225 WeakPolarHBondContact CD1-OD2 3.03Å | |||
| 3226 | N | 27.7 | Very low | 28.4 | Very low | 102 Ų | 102 | 154.1 Ų | 154.1 | 55% | 0.545 | 73% | 0.731 | S | S | . | * | cis | -166 | 165.1 | 42.7 | -120.5 | -36.1 | 0 | 0 | 0 | 113.7 | V3117 A3118 L3119 | V3117-N3226 WeakPolarHBondContact O-CA 3.5Å; A3118-N3226 WeakPolarHBondContact CA-OD1 3.4Å; L3119-N3226 WeakPolarHBondContact CA-ND2 3.38Å; L3119-N3226 WeakPolarHBondContact CB-ND2 3.46Å; L3119-N3226 PolarHBondContact N-ND2 3.35Å; L3119-N3226 VanDerWaalsContact N-ND2 3.15Å; L3119-N3226 PolarHBondContact N-OD1 3.44Å; L3119-N3226 PolarHBondContact O-ND2 2.83Å; L3119-N3226 PolarHBondContact O-OD1 3.03Å | ||
| 3227 | Y | 28 | Very low | 28.4 | Very low | 196 Ų | 196 | 149.8 Ų | 149.8 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | 79.4 | 131.4 | 148.9 | -77.2 | -82.6 | 0 | 0 | 0 | 118.8 | V3117 | V3117-Y3227 PolarHBondContact O-N 3.15Š| ||
| 3228 | E | 25.3 | Very low | 28.5 | Very low | 147.5 Ų | 147.5 | 150.6 Ų | 150.6 | 69% | 0.689 | 72% | 0.717 | S | S | * | * | 58.6 | 133.1 | 118.8 | -64.8 | -169.7 | 155.8 | 0 | 0 | 117.4 | |||||
| 3229 | R | 28.7 | Very low | 28.3 | Very low | 227.25 Ų | 227.25 | 146.5 Ų | 146.5 | 86% | 0.858 | 71% | 0.708 | S | S | * | * | 169.7 | 153.5 | 97.7 | -103.1 | 173.9 | -152.1 | -164.8 | -0.2 | 115.3 | |||||
| 3230 | N | 26.6 | Very low | 28.4 | Very low | 148.75 Ų | 148.75 | 146.2 Ų | 146.2 | 80% | 0.795 | 71% | 0.706 | S | S | * | * | trans | -123.1 | 179.5 | 170.5 | -126.9 | -18 | 0 | 0 | 0 | 107.4 | ||||
| 3231 | P | 38.1 | Very low | 28.1 | Very low | 86.5 Ų | 86.5 | 142.5 Ų | 142.5 | 56% | 0.562 | 69% | 0.694 | S | S | * | * | cis | -131.8 | 177.2 | -20 | 28.9 | -7.7 | 0 | 0 | 0 | 116.2 | ||||
| 3232 | Y | 26.9 | Very low | 28.1 | Very low | 207.75 Ų | 207.75 | 145.6 Ų | 145.6 | 82% | 0.815 | 70% | 0.701 | S | S | * | * | trans | 97.2 | 146.8 | 157.3 | -65.2 | -54.6 | 0 | 0 | 0 | 120 | ||||
| 3233 | N | 27.8 | Very low | 27.9 | Very low | 129.25 Ų | 129.25 | 143.3 Ų | 143.3 | 69% | 0.691 | 70% | 0.696 | S | S | * | * | 135.2 | 136.9 | 77.9 | -89.5 | -13.6 | 0 | 0 | 0 | 117.6 | |||||
| 3234 | Y | 26.6 | Very low | 27.9 | Very low | 199.75 Ų | 199.75 | 145.3 Ų | 145.3 | 78% | 0.783 | 70% | 0.7 | S | S | * | * | 98 | 164.1 | 109.6 | -88.7 | -65.6 | 0 | 0 | 0 | 115.8 | I3164 S3165 | I3164-Y3234 WeakPolarHBondContact CG2-OH 3.29Å; S3165-Y3234 PolarHBondContact OG-OH 3.39Å | |||
| 3235 | P | 38 | Very low | 27.7 | Very low | 92.25 Ų | 92.25 | 144 Ų | 144 | 60% | 0.599 | 69% | 0.694 | S | S | * | * | cis | -142.1 | -172 | -28.3 | 42.3 | -22.9 | 0 | 0 | 0 | 116.5 | ||||
| 3236 | H | 29.2 | Very low | 27.6 | Very low | 159 Ų | 159 | 145.4 Ų | 145.4 | 74% | 0.736 | 70% | 0.698 | S | S | * | * | trans | 119.1 | 142.1 | 144.3 | -76.6 | -44.9 | 0 | 0 | 0 | 116.6 | ||||
| 3237 | Q | 26.9 | Very low | 27.5 | Very low | 138.5 Ų | 138.5 | 148.7 Ų | 148.7 | 65% | 0.647 | 71% | 0.708 | S | S | * | * | cis | 134.9 | 142.4 | 28.4 | -149.8 | -174.9 | 57.5 | 0 | 0 | 112.2 | ||||
| 3238 | K | 26.7 | Very low | 27.4 | Very low | 164.25 Ų | 164.25 | 145.9 Ų | 145.9 | 71% | 0.714 | 71% | 0.707 | S | S | * | * | 151.5 | 140.9 | 101.6 | -76.4 | 177.5 | 176.1 | 173.1 | 0 | 116.2 | |||||
| 3239 | Q | 25.5 | Very low | 27.4 | Very low | 139.25 Ų | 139.25 | 145.8 Ų | 145.8 | 65% | 0.651 | 71% | 0.71 | S | S | * | * | 94.3 | 132.5 | 69.9 | -106.9 | 173.6 | -52.5 | 0 | 0 | 115 | |||||
| 3240 | H | 27.4 | Very low | 27.3 | Very low | 157 Ų | 157 | 141.8 Ų | 141.8 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | 173.3 | 155.3 | 93.7 | -97.2 | -79.8 | 0 | 0 | 0 | 112.4 | |||||
| 3241 | S | 23.6 | Very low | 27.8 | Very low | 76.25 Ų | 76.25 | 140.5 Ų | 140.5 | 53% | 0.533 | 71% | 0.705 | S | S | . | * | 175.7 | 142.7 | -74.2 | 60.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 3242 | F | 25.5 | Very low | 27.2 | Very low | 192.75 Ų | 192.75 | 139.6 Ų | 139.6 | 85% | 0.845 | 71% | 0.712 | S | S | * | * | trans | 143.7 | 158.5 | 143.4 | -74 | -92.8 | 0 | 0 | 0 | 114.4 | ||||
| 3243 | S | 24.8 | Very low | 27.3 | Very low | 89.75 Ų | 89.75 | 136.6 Ų | 136.6 | 63% | 0.628 | 71% | 0.71 | S | S | * | * | cis | -143.8 | 165 | 35.9 | -93.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 3244 | N | 26.8 | Very low | 27.2 | Very low | 131 Ų | 131 | 139 Ų | 139 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | trans | 92.1 | 136 | 147.6 | -77.9 | 46.8 | 0 | 0 | 0 | 117.9 | ||||
| 3245 | D | 24.4 | Very low | 27.3 | Very low | 125.5 Ų | 125.5 | 135.2 Ų | 135.2 | 67% | 0.671 | 71% | 0.711 | S | S | * | * | 91.7 | 149.3 | 88.5 | -71.6 | -25.8 | 0 | 0 | 0 | 118.1 | |||||
| 3246 | M | 25.3 | Very low | 26.8 | Very low | 143.75 Ų | 143.75 | 137.7 Ų | 137.7 | 71% | 0.708 | 72% | 0.72 | S | S | * | * | 133.9 | 144.5 | 71.4 | -141.9 | 154.8 | 44.3 | 0 | 0 | 116.9 | |||||
| 3247 | F | 25.7 | Very low | 26.6 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 75% | 0.75 | 72% | 0.721 | S | S | * | * | trans | 84.3 | 133.1 | 141.4 | -76.2 | -89.3 | 0 | 0 | 0 | 120.6 | ||||
| 3248 | N | 24.8 | Very low | 26.5 | Very low | 137.5 Ų | 137.5 | 134.4 Ų | 134.4 | 74% | 0.735 | 73% | 0.725 | S | S | * | * | 125.5 | 133.7 | 125.7 | -109.6 | -17.6 | 0 | 0 | 0 | 116.9 | |||||
| 3249 | L | 27 | Very low | 26.5 | Very low | 144.75 Ų | 144.75 | 135.8 Ų | 135.8 | 76% | 0.758 | 73% | 0.731 | S | S | * | * | 139.6 | 130.4 | 128.4 | -82.2 | 168 | 0 | 0 | 0 | 116 | |||||
| 3250 | N | 25.2 | Very low | 26.4 | Very low | 144.25 Ų | 144.25 | 133.6 Ų | 133.6 | 77% | 0.771 | 73% | 0.731 | S | S | * | * | 61.6 | 161.8 | 115 | -108.1 | 2.8 | 0 | 0 | 0 | 117.6 | |||||
| 3251 | P | 37.7 | Very low | 26.3 | Very low | 119.5 Ų | 119.5 | 132.1 Ų | 132.1 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | -124.2 | 171.7 | -86.5 | 39.4 | -26.9 | 0 | 0 | 0 | 116 | |||||
| 3252 | G | 26.1 | Very low | 26.4 | Very low | 68.25 Ų | 68.25 | 135.4 Ų | 135.4 | 70% | 0.704 | 74% | 0.74 | S | S | * | * | trans | 167.3 | 106.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 3253 | N | 28.6 | Very low | 26.5 | Very low | 144.5 Ų | 144.5 | 136.5 Ų | 136.5 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | 68 | 136.8 | 132.4 | -97.3 | -29.2 | 0 | 0 | 0 | 117.7 | ||||
| 3254 | K | 26 | Very low | 26.5 | Very low | 181 Ų | 181 | 137.9 Ų | 137.9 | 79% | 0.787 | 75% | 0.75 | S | S | * | * | cis | 125.4 | 160.5 | 43.5 | -92.7 | 179.1 | -174.1 | 173.4 | 0 | 113.1 | ||||
| 3255 | V | 27.8 | Very low | 26.4 | Very low | 119.5 Ų | 119.5 | 139.5 Ų | 139.5 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | 146.7 | 137.3 | 90.6 | 157.6 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 3256 | N | 26.8 | Very low | 26.4 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | 29.2 | 134.2 | 156.8 | -54.9 | -12.8 | 0 | 0 | 0 | 119.8 | ||||
| 3257 | S | 26.6 | Very low | 26.4 | Very low | 107.75 Ų | 107.75 | 145.4 Ų | 145.4 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | 132.5 | 133.4 | 110.4 | 59.2 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 3258 | T | 24.3 | Very low | 26.5 | Very low | 120.75 Ų | 120.75 | 143.9 Ų | 143.9 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | trans | -87.4 | 149.2 | 130.3 | 43.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 3259 | F | 25.8 | Very low | 26.7 | Very low | 192.75 Ų | 192.75 | 144.6 Ų | 144.6 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | trans | 85 | 140.7 | 159.3 | -90.6 | -87.1 | 0 | 0 | 0 | 116.5 | D3261 | F3259-D3261 VanDerWaalsContact CD1-OD2 3.28Å; F3259-D3261 WeakPolarHBondContact CD1-OD2 3.36Å; F3259-D3261 VanDerWaalsContact CE1-OD2 3.31Å; F3259-D3261 WeakPolarHBondContact CE1-OD2 3.47Å | ||
| 3260 | S | 24.6 | Very low | 26.7 | Very low | 93.5 Ų | 93.5 | 144.3 Ų | 144.3 | 65% | 0.654 | 78% | 0.776 | S | S | * | * | -169.6 | 143.3 | 61.3 | 164.3 | 0 | 0 | 0 | 0 | 113.4 | N3262 | S3260-N3262 PolarHBondContact O-N 3.01Š| |||
| 3261 | D | 24.3 | Very low | 26.9 | Very low | 124.25 Ų | 124.25 | 141 Ų | 141 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | trans | -55.3 | 126 | 167.5 | -49.2 | -74.7 | 0 | 0 | 0 | 115.8 | F3259 Y3263 | F3259-D3261 VanDerWaalsContact CD1-OD2 3.28Å; F3259-D3261 WeakPolarHBondContact CD1-OD2 3.36Å; F3259-D3261 VanDerWaalsContact CE1-OD2 3.31Å; F3259-D3261 WeakPolarHBondContact CE1-OD2 3.47Å; D3261-Y3263 HydrophobicContact CB-CD2 4.35Å; D3261-Y3263 HydrophobicContact CB-CE2 3.96Å; D3261-Y3263 PolarHBondContact O-N 2.9Å | ||
| 3262 | N | 26.7 | Very low | 26.4 | Very low | 146.75 Ų | 146.75 | 143.9 Ų | 143.9 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | -160.1 | 143.7 | 118.6 | -98.6 | -64.3 | 0 | 0 | 0 | 112.9 | S3260 S3264 | S3260-N3262 PolarHBondContact O-N 3.01Å; N3262-S3264 PolarHBondContact O-N 3.26Å | |||
| 3263 | Y | 26.2 | Very low | 26.2 | Very low | 215 Ų | 215 | 148.7 Ų | 148.7 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -95.2 | 123.8 | 162.6 | -75 | -87.2 | 0 | 0 | 0 | 112.8 | D3261 | D3261-Y3263 HydrophobicContact CB-CD2 4.35Å; D3261-Y3263 HydrophobicContact CB-CE2 3.96Å; D3261-Y3263 PolarHBondContact O-N 2.9Å | ||
| 3264 | S | 25.9 | Very low | 26.2 | Very low | 119.25 Ų | 119.25 | 149.4 Ų | 149.4 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | -177.8 | 135.5 | 140.4 | -96.1 | 0 | 0 | 0 | 0 | 115.6 | N3262 | N3262-S3264 PolarHBondContact O-N 3.26Š| ||
| 3265 | L | 23.8 | Very low | 26.2 | Very low | 164.25 Ų | 164.25 | 146.8 Ų | 146.8 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -79.5 | 144.8 | 177.3 | -67 | 156.6 | 0 | 0 | 0 | 112.3 | ||||
| 3266 | R | 24.9 | Very low | 26.4 | Very low | 245.25 Ų | 245.25 | 146.1 Ų | 146.1 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | trans | -140.9 | 133.8 | 145 | -86.8 | -169.6 | 177.1 | -157.6 | 0.1 | 111.7 | ||||
| 3267 | L | 24.4 | Very low | 26.4 | Very low | 149 Ų | 149 | 147.3 Ų | 147.3 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | trans | -108.7 | 140.3 | 159.2 | -116.5 | 72.4 | 0 | 0 | 0 | 109.1 | ||||
| 3268 | N | 28.3 | Very low | 26.5 | Very low | 138.75 Ų | 138.75 | 148.3 Ų | 148.3 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | -170.7 | 144.3 | 111.4 | -102.1 | -14.7 | 0 | 0 | 0 | 110.8 | |||||
| 3269 | Q | 30 | Very low | 26.5 | Very low | 153 Ų | 153 | 151.2 Ų | 151.2 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | -128.2 | 148.9 | 75.4 | -99.1 | 168.6 | -0.9 | 0 | 0 | 112.7 | |||||
| 3270 | T | 27.2 | Very low | 26.7 | Very low | 138 Ų | 138 | 148.8 Ų | 148.8 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | 118 | 142.4 | 78.3 | 30.5 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 3271 | G | 28.2 | Very low | 27.2 | Very low | 74.25 Ų | 74.25 | 149.3 Ų | 149.3 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | trans | 169.2 | 134.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 3272 | Q | 26.9 | Very low | 27.2 | Very low | 180.25 Ų | 180.25 | 149 Ų | 149 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | -170.5 | 159.7 | -91.9 | -105.9 | -174.5 | -4.2 | 0 | 0 | 112.6 | |||||
| 3273 | F | 23 | Very low | 27.2 | Very low | 170 Ų | 170 | 149 Ų | 149 | 75% | 0.746 | 79% | 0.794 | S | S | * | * | trans | 10 | 159.1 | -173.8 | -68.8 | -95.2 | 0 | 0 | 0 | 114.5 | ||||
| 3274 | I | 28.8 | Very low | 27.3 | Very low | 159.75 Ų | 159.75 | 142.2 Ų | 142.2 | 82% | 0.819 | 79% | 0.788 | S | S | * | * | -150.7 | 155.4 | 71 | -80.9 | 160.2 | 0 | 0 | 0 | 110.7 | |||||
| 3275 | V | 26.6 | Very low | 27.4 | Very low | 125.5 Ų | 125.5 | 143.4 Ų | 143.4 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | trans | -133.3 | 144.5 | 177.7 | -170.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 3276 | P | 31.1 | Very low | 27.9 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | trans | -134.2 | 165.7 | 143.7 | 36.8 | -22.9 | 0 | 0 | 0 | 114.9 | ||||
| 3277 | H | 26.5 | Very low | 28 | Very low | 169.5 Ų | 169.5 | 134.7 Ų | 134.7 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -109.8 | 147.2 | 150.6 | -75.1 | -99.5 | 0 | 0 | 0 | 112.4 | ||||
| 3278 | V | 28 | Very low | 28.1 | Very low | 128 Ų | 128 | 133 Ų | 133 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | 148.3 | 130.8 | 113.2 | 172.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 3279 | F | 26.2 | Very low | 28 | Very low | 182.75 Ų | 182.75 | 130.5 Ų | 130.5 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -152.9 | 140.7 | 159.8 | -98.7 | -100.9 | 0 | 0 | 0 | 115.3 | ||||
| 3280 | N | 28.7 | Very low | 28 | Very low | 142.25 Ų | 142.25 | 133.8 Ų | 133.8 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | 132.1 | 168.2 | 130.2 | -128.1 | 14.6 | 0 | 0 | 0 | 117.4 | ||||
| 3281 | P | 34.5 | Very low | 27.9 | Very low | 102.5 Ų | 102.5 | 134.9 Ų | 134.9 | 67% | 0.666 | 78% | 0.779 | S | S | * | * | trans | -124.9 | 175.6 | -137.9 | 40.8 | -23.1 | 0 | 0 | 0 | 116.3 | ||||
| 3282 | C | 24.9 | Very low | 28.3 | Very low | 118.25 Ų | 118.25 | 136.3 Ų | 136.3 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | -18 | 136.9 | 168.4 | -59.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 3283 | T | 27.6 | Very low | 28.3 | Very low | 148.25 Ų | 148.25 | 134.2 Ų | 134.2 | 91% | 0.91 | 77% | 0.77 | S | S | * | * | trans | -151.2 | 155 | 142.4 | 33.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 3284 | G | 27 | Very low | 28.4 | Very low | 70.5 Ų | 70.5 | 134.2 Ų | 134.2 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | 155.9 | 112.4 | 165 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 3285 | V | 27.6 | Very low | 28.4 | Very low | 145.25 Ų | 145.25 | 131.2 Ų | 131.2 | 88% | 0.88 | 77% | 0.771 | S | S | * | * | trans | -168.5 | 174.9 | 160.4 | -146.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 3286 | P | 35.1 | Very low | 28.4 | Very low | 108.25 Ų | 108.25 | 132.7 Ų | 132.7 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | -133.4 | -176.4 | -110.2 | 42.9 | -25 | 0 | 0 | 0 | 117.7 | |||||
| 3287 | S | 27.3 | Very low | 28.1 | Very low | 117.75 Ų | 117.75 | 132.7 Ų | 132.7 | 82% | 0.823 | 78% | 0.776 | S | S | * | * | trans | 104.4 | 136.8 | 149.4 | -68.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 3288 | S | 26.9 | Very low | 28.2 | Very low | 114.75 Ų | 114.75 | 133.1 Ų | 133.1 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | -170.4 | 157.1 | 142.7 | -155.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 3289 | S | 25.6 | Very low | 28.1 | Very low | 85.75 Ų | 85.75 | 134.8 Ų | 134.8 | 60% | 0.6 | 78% | 0.782 | S | S | * | * | trans | -166.9 | 147.6 | 159.9 | 51.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 3290 | Y | 30.5 | Very low | 28 | Very low | 222.25 Ų | 222.25 | 131 Ų | 131 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | 168 | 162.5 | 122.1 | -84.5 | -68.2 | 0 | 0 | 0 | 113.8 | |||||
| 3291 | L | 25.4 | Very low | 28 | Very low | 160.5 Ų | 160.5 | 130.9 Ų | 130.9 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | trans | -122.7 | 173.8 | -171.4 | -119.4 | 74.7 | 0 | 0 | 0 | 109.7 | ||||
| 3292 | P | 35.7 | Very low | 27.6 | Very low | 103.5 Ų | 103.5 | 130.7 Ų | 130.7 | 67% | 0.672 | 78% | 0.775 | S | S | * | * | cis | -128.4 | 175.1 | -32.8 | 38.2 | -23.8 | 0 | 0 | 0 | 114.3 | ||||
| 3293 | N | 27.2 | Very low | 27.8 | Very low | 137.5 Ų | 137.5 | 133 Ų | 133 | 74% | 0.735 | 78% | 0.778 | S | S | * | * | trans | 179.2 | 144.8 | 139.4 | -94.6 | -19.1 | 0 | 0 | 0 | 117 | ||||
| 3294 | H | 25.8 | Very low | 27.7 | Very low | 168.5 Ų | 168.5 | 133.3 Ų | 133.3 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | trans | 40.8 | 107.9 | 150.2 | -74.3 | -83.4 | 0 | 0 | 0 | 121.1 | ||||
| 3295 | A | 28.6 | Very low | 27.6 | Very low | 98.5 Ų | 98.5 | 135.1 Ų | 135.1 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | -158.1 | 120.6 | 126.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S3297 | A3295-S3297 VanDerWaalsContact C-N 3.32Å; A3295-S3297 PolarHBondContact O-N 3.35Å | |||
| 3296 | I | 25.8 | Very low | 27.7 | Very low | 155.5 Ų | 155.5 | 134.9 Ų | 134.9 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -90.3 | 117.1 | 165.5 | -59.4 | 170.7 | 0 | 0 | 0 | 110.4 | ||||
| 3297 | S | 25.9 | Very low | 27.4 | Very low | 106.5 Ų | 106.5 | 136 Ų | 136 | 75% | 0.745 | 77% | 0.769 | S | S | * | * | trans | 162.1 | 142.4 | 153.3 | -72.5 | 0 | 0 | 0 | 0 | 113.9 | A3295 | A3295-S3297 VanDerWaalsContact C-N 3.32Å; A3295-S3297 PolarHBondContact O-N 3.35Å | ||
| 3298 | Q | 27.5 | Very low | 27.7 | Very low | 177.5 Ų | 177.5 | 137.5 Ų | 137.5 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | trans | 84.6 | 91.3 | 161.3 | -70.6 | 178.3 | 7.7 | 0 | 0 | 116.1 | S3300 | Q3298-S3300 VanDerWaalsContact C-N 3.26Å; Q3298-S3300 PolarHBondContact O-N 3.42Å; Q3298-S3300 VanDerWaalsContact O-N 3.1Å | ||
| 3299 | L | 25.2 | Very low | 28.4 | Very low | 164.75 Ų | 164.75 | 139.4 Ų | 139.4 | 86% | 0.863 | 76% | 0.761 | S | S | * | * | trans | -104.9 | 64.5 | 157.5 | -101 | 163.4 | 0 | 0 | 0 | 111 | I3301 | L3299-I3301 VanDerWaalsContact C-N 3.28Å; L3299-I3301 HydrophobicContact CD2-CD1 4.12Å; L3299-I3301 HydrophobicContact CD2-CG1 3.97Å; L3299-I3301 PolarHBondContact O-N 3.25Å | ||
| 3300 | S | 25 | Very low | 29.6 | Very low | 101.5 Ų | 101.5 | 138 Ų | 138 | 71% | 0.71 | 75% | 0.75 | S | S | * | * | trans | -91.7 | 91.8 | 165 | 30.1 | 0 | 0 | 0 | 0 | 109 | Q3298 P3302 | Q3298-S3300 VanDerWaalsContact C-N 3.26Å; Q3298-S3300 PolarHBondContact O-N 3.42Å; Q3298-S3300 VanDerWaalsContact O-N 3.1Å; S3300-P3302 WeakPolarHBondContact O-CD 3.48Å | ||
| 3301 | I | 28.4 | Very low | 31 | Very low | 140.5 Ų | 140.5 | 133.1 Ų | 133.1 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | trans | -74.7 | 121.3 | 175.1 | -59.2 | 175.8 | 0 | 0 | 0 | 107.8 | L3299 L3303 | L3299-I3301 VanDerWaalsContact C-N 3.28Å; L3299-I3301 HydrophobicContact CD2-CD1 4.12Å; L3299-I3301 HydrophobicContact CD2-CG1 3.97Å; L3299-I3301 PolarHBondContact O-N 3.25Å; I3301-L3303 PolarHBondContact O-N 3.03Å | ||
| 3302 | P | 26.3 | Very low | 33.2 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 64% | 0.643 | 71% | 0.71 | S | S | * | * | trans | -69 | 124.5 | 177.6 | -3.8 | 14 | 0 | 0 | 0 | 110.4 | S3300 D3304 | S3300-P3302 WeakPolarHBondContact O-CD 3.48Å; P3302-D3304 PolarHBondContact O-N 3.07Å; P3302-D3304 VanDerWaalsContact O-N 3.12Å | ||
| 3303 | L | 29.9 | Very low | 35.3 | Very low | 166.5 Ų | 166.5 | 124.9 Ų | 124.9 | 87% | 0.872 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -80.6 | 24.6 | -178.6 | -157.4 | 68.7 | 0 | 0 | 0 | 112.8 | I3301 | I3301-L3303 PolarHBondContact O-N 3.03Š|
| 3304 | D | 24.3 | Very low | 38.2 | Very low | 154.75 Ų | 154.75 | 121.1 Ų | 121.1 | 83% | 0.828 | 67% | 0.665 | S | S | * | * | trans | -131.7 | 60 | -172.2 | -74.7 | -56.8 | 0 | 0 | 0 | 111.7 | P3302 | P3302-D3304 PolarHBondContact O-N 3.07Å; P3302-D3304 VanDerWaalsContact O-N 3.12Å | ||
| 3305 | S | 24.5 | Very low | 41.2 | Very low | 107.5 Ų | 107.5 | 113.2 Ų | 113.2 | 75% | 0.752 | 63% | 0.628 | S | S | * | * | trans | -162.6 | 29.2 | 169.8 | 55.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 3306 | L | 31.1 | Very low | 44.1 | Very low | 142 Ų | 142 | 111.9 Ų | 111.9 | 74% | 0.743 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -120.4 | 134.1 | 163.8 | -150.5 | 73.3 | 0 | 0 | 0 | 110.2 | N3308 | L3306-N3308 VanDerWaalsContact C-N 3.32Å; L3306-N3308 PolarHBondContact O-N 3.29Å |
| 3307 | D | 28.3 | Very low | 47.3 | Very low | 131.75 Ų | 131.75 | 105.5 Ų | 105.5 | 71% | 0.705 | 58% | 0.582 | S | S | * | * | trans | -66.7 | 86.6 | -175 | -132.5 | -19.2 | 0 | 0 | 0 | 110.8 | K3309 | D3307-K3309 PolarHBondContact O-N 3.09Å; D3307-K3309 IonicContact OD1-NZ 3.16Å; D3307-K3309 PolarHBondContact OD1-NZ 3.45Å; D3307-K3309 IonicContact OD2-NZ 3.69Å; D3307-K3309 PolarHBondContact OD2-NZ 2.96Å | ||
| 3308 | N | 33.9 | Very low | 50.5 | Low | 147.75 Ų | 147.75 | 100.4 Ų | 100.4 | 79% | 0.79 | 55% | 0.546 | S | S | * | . | trans | -71.9 | 51.2 | -179.2 | -83.6 | -38.6 | 0 | 0 | 0 | 112.8 | L3306 | L3306-N3308 VanDerWaalsContact C-N 3.32Å; L3306-N3308 PolarHBondContact O-N 3.29Å | ||
| 3309 | K | 41 | Very low | 53.7 | Low | 154.75 Ų | 154.75 | 93.8 Ų | 93.8 | 67% | 0.673 | 52% | 0.515 | S | S | * | . | trans | -65.7 | 126.5 | 157.7 | -72.1 | 175.5 | -179.1 | 136.8 | 0 | 107.2 | D3307 E3311 | D3307-K3309 PolarHBondContact O-N 3.09Å; D3307-K3309 IonicContact OD1-NZ 3.16Å; D3307-K3309 PolarHBondContact OD1-NZ 3.45Å; D3307-K3309 IonicContact OD2-NZ 3.69Å; D3307-K3309 PolarHBondContact OD2-NZ 2.96Å; K3309-E3311 VanDerWaalsContact C-N 3.33Å; K3309-E3311 PolarHBondContact O-N 3.23Å | ||
| 3310 | P | 52 | Low | 57 | Low | 56.5 Ų | 56.5 | 88.5 Ų | 88.5 | 37% | 0.367 | 49% | 0.486 | S | S | . | . | trans | -68.3 | 96.6 | -179.6 | 25.8 | -32.4 | 0 | 0 | 0 | 109.7 | L2979 R3312 | L2979-P3310 HydrophobicContact CD1-CB 4.16Å; L2979-P3310 HydrophobicContact CD1-CG 3.7Å; L2979-P3310 VanDerWaalsContact CD1-CG 3.49Å; P3310-R3312 PolarHBondContact O-N 3.16Å; P3310-R3312 VanDerWaalsContact O-N 3.12Å | ||
| 3311 | E | 59.8 | Low | 60.4 | Low | 120.75 Ų | 120.75 | 83.7 Ų | 83.7 | 56% | 0.564 | 45% | 0.452 | S | S | * | . | trans | -54.5 | 113 | 176.8 | -151.4 | 172.7 | -147.5 | 0 | 0 | 109.7 | R3030 Q3080 K3309 L3313 | R3030-E3311 IonicContact NH1-OE2 3.28Å; Q3080-E3311 PolarHBondContact NE2-OE1 2.74Å; Q3080-E3311 PolarHBondContact NE2-OE2 3.42Å; K3309-E3311 VanDerWaalsContact C-N 3.33Å; K3309-E3311 PolarHBondContact O-N 3.23Å; E3311-L3313 PolarHBondContact O-N 3.25Å | ||
| 3312 | R | 69.9 | Low | 63.7 | Low | 81.5 Ų | 81.5 | 77 Ų | 77 | 31% | 0.308 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 131 | -179.6 | -68.2 | -172.6 | -178.6 | 171.7 | 0.3 | 109.2 | P3310 S3314 N3411 Q3414 | P3310-R3312 PolarHBondContact O-N 3.16Å; P3310-R3312 VanDerWaalsContact O-N 3.12Å; R3312-S3314 PolarHBondContact O-N 3.15Å; R3312-N3411 PolarHBondContact NH2-O 3.25Å; R3312-Q3414 PolarHBondContact NH1-O 3.3Å |
| 3313 | L | 81.3 | Confident | 67 | Low | 8.75 Ų | 8.75 | 74.7 Ų | 74.7 | 5% | 0.046 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -48.7 | 128.6 | 172.4 | 179.1 | 68.5 | 0 | 0 | 0 | 111.1 | V3022 C3023 V3076 E3311 L3315 L3318 Y3418 | V3022-L3313 HydrophobicContact CG1-CD1 4.28Å; V3022-L3313 HydrophobicContact CG1-CD2 3.64Å; C3023-L3313 HydrophobicContact CB-CB 4.27Å; C3023-L3313 HydrophobicContact CB-CD1 4.01Å; V3076-L3313 WeakPolarHBondContact O-CD1 3.37Å; E3311-L3313 PolarHBondContact O-N 3.25Å; L3313-L3315 PolarHBondContact O-N 3.41Å; L3313-L3318 HydrophobicContact CD2-CB 3.91Å; L3313-L3318 HydrophobicContact CD2-CD1 4.24Å; L3313-L3318 HydrophobicContact CD2-CD2 4.22Å; L3313-L3318 HydrophobicContact CD2-CG 4.35Å; L3313-L3318 HydrophobicContact CG-CB 4.45Å; L3313-Y3418 WeakPolarHBondContact O-CE2 3.38Å; L3313-Y3418 PolarHBondContact O-OH 2.9Å; L3313-Y3418 VanDerWaalsContact O-OH 3.06Å |
| 3314 | S | 87 | Confident | 70.2 | Confident | 58.75 Ų | 58.75 | 67.1 Ų | 67.1 | 41% | 0.411 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 129.9 | 170.1 | 176 | 0 | 0 | 0 | 0 | 110.2 | R3312 S3316 S3317 L3318 | R3312-S3314 PolarHBondContact O-N 3.15Å; S3314-S3316 VanDerWaalsContact C-N 3.26Å; S3314-S3316 PolarHBondContact O-N 3.08Å; S3314-S3316 PolarHBondContact OG-OG 3.41Å; S3314-S3317 WeakPolarHBondContact O-CA 3.4Å; S3314-S3317 WeakPolarHBondContact O-CB 3.35Å; S3314-S3317 PolarHBondContact O-N 2.93Å; S3314-L3318 PolarHBondContact O-N 2.84Å; S3314-L3318 VanDerWaalsContact O-N 3.15Å |
| 3315 | L | 89.6 | Confident | 73.6 | Confident | 2.5 Ų | 2.5 | 59.8 Ų | 59.8 | 1% | 0.013 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58 | -37.4 | 178.5 | -64.2 | 170.1 | 0 | 0 | 0 | 111.3 | L3313 S3317 L3318 E3319 I3367 Y3418 E3421 A3422 I3425 | L3313-L3315 PolarHBondContact O-N 3.41Å; L3315-S3317 VanDerWaalsContact C-N 3.29Å; L3315-S3317 PolarHBondContact O-N 2.92Å; L3315-L3318 WeakPolarHBondContact O-CA 3.44Å; L3315-L3318 WeakPolarHBondContact O-CB 3.4Å; L3315-L3318 PolarHBondContact O-N 3.2Å; L3315-L3318 VanDerWaalsContact O-N 3.11Å; L3315-E3319 PolarHBondContact O-N 3.24Å; L3315-I3367 HydrophobicContact CB-CD1 4.22Å; L3315-I3367 HydrophobicContact CB-CG1 4.36Å; L3315-I3367 HydrophobicContact CD2-CD1 4.26Å; L3315-I3367 HydrophobicContact CD2-CG1 3.72Å; L3315-Y3418 HydrophobicContact CD1-CD2 4.2Å; L3315-Y3418 HydrophobicContact CD1-CE2 4.16Å; L3315-Y3418 HydrophobicContact CD2-CD2 4.34Å; L3315-Y3418 HydrophobicContact CD2-CE1 4.09Å; L3315-Y3418 HydrophobicContact CD2-CE2 3.63Å; L3315-Y3418 VanDerWaalsContact CD2-CZ 3.47Å; L3315-Y3418 WeakPolarHBondContact CD2-OH 3.38Å; L3315-Y3418 HydrophobicContact CG-CD2 4.18Å; L3315-Y3418 HydrophobicContact CG-CE2 3.64Å; L3315-E3421 HydrophobicContact CD1-CB 3.78Å; L3315-E3421 HydrophobicContact CD1-CG 3.69Å; L3315-A3422 HydrophobicContact CD1-CB 4.11Å; L3315-A3422 HydrophobicContact CD2-CB 4.08Å; L3315-I3425 HydrophobicContact CB-CD1 3.87Å; L3315-I3425 HydrophobicContact CD1-CD1 3.98Å |
| 3316 | S | 90 | Very high | 77 | Confident | 70.5 Ų | 70.5 | 55.7 Ų | 55.7 | 49% | 0.493 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.4 | -28 | 175.3 | 66.7 | 0 | 0 | 0 | 0 | 114 | S3314 F3320 | S3314-S3316 VanDerWaalsContact C-N 3.26Å; S3314-S3316 PolarHBondContact O-N 3.08Å; S3314-S3316 PolarHBondContact OG-OG 3.41Å; S3316-F3320 WeakPolarHBondContact O-CB 3.33Å; S3316-F3320 PolarHBondContact O-N 3.21Å; S3316-F3320 VanDerWaalsContact O-N 3.11Å |
| 3317 | S | 91.8 | Very high | 80.1 | Confident | 20.5 Ų | 20.5 | 52.9 Ų | 52.9 | 14% | 0.143 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -73.6 | -34.5 | 172.7 | -63.5 | 0 | 0 | 0 | 0 | 111.4 | S3314 L3315 L3321 | S3314-S3317 WeakPolarHBondContact O-CA 3.4Å; S3314-S3317 WeakPolarHBondContact O-CB 3.35Å; S3314-S3317 PolarHBondContact O-N 2.93Å; L3315-S3317 VanDerWaalsContact C-N 3.29Å; L3315-S3317 PolarHBondContact O-N 2.92Å; S3317-L3321 WeakPolarHBondContact O-CB 3.3Å; S3317-L3321 PolarHBondContact O-N 3.1Å |
| 3318 | L | 94.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.3 | -39.1 | 173.8 | -177.1 | 58 | 0 | 0 | 0 | 112.3 | T3019 V3022 L3313 S3314 L3315 L3321 T3322 R3364 I3367 V3368 | T3019-L3318 HydrophobicContact CG2-CD1 4.39Å; T3019-L3318 WeakPolarHBondContact O-CD1 3.36Å; V3022-L3318 HydrophobicContact CG1-CD1 4.12Å; L3313-L3318 HydrophobicContact CD2-CB 3.91Å; L3313-L3318 HydrophobicContact CD2-CD1 4.24Å; L3313-L3318 HydrophobicContact CD2-CD2 4.22Å; L3313-L3318 HydrophobicContact CD2-CG 4.35Å; L3313-L3318 HydrophobicContact CG-CB 4.45Å; S3314-L3318 PolarHBondContact O-N 2.84Å; S3314-L3318 VanDerWaalsContact O-N 3.15Å; L3315-L3318 WeakPolarHBondContact O-CA 3.44Å; L3315-L3318 WeakPolarHBondContact O-CB 3.4Å; L3315-L3318 PolarHBondContact O-N 3.2Å; L3315-L3318 VanDerWaalsContact O-N 3.11Å; L3318-L3321 PolarHBondContact O-N 3.12Å; L3318-T3322 VanDerWaalsContact O-CB 3.32Å; L3318-T3322 WeakPolarHBondContact O-CB 3.42Å; L3318-T3322 PolarHBondContact O-N 3.47Å; L3318-T3322 PolarHBondContact O-OG1 3.2Å; L3318-R3364 HydrophobicContact CD2-CB 3.77Å; L3318-R3364 HydrophobicContact CD2-CG 4.13Å; L3318-I3367 HydrophobicContact CB-CG2 4.23Å; L3318-I3367 HydrophobicContact CD2-CB 3.98Å; L3318-I3367 HydrophobicContact CD2-CG1 4.45Å; L3318-I3367 HydrophobicContact CD2-CG2 4.03Å; L3318-I3367 HydrophobicContact CG-CB 4.39Å; L3318-I3367 HydrophobicContact CG-CG2 3.87Å; L3318-V3368 HydrophobicContact CD1-CG2 4.38Å |
| 3319 | E | 94.4 | Very high | 86.2 | Confident | 39 Ų | 39 | 39.6 Ų | 39.6 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.9 | -55.2 | 170.1 | -73.8 | -172.2 | 85.4 | 0 | 0 | 110.9 | L3315 L3321 T3322 D3323 I3367 I3425 R3429 | L3315-E3319 PolarHBondContact O-N 3.24Å; E3319-L3321 VanDerWaalsContact C-N 3.32Å; E3319-L3321 PolarHBondContact O-N 3.04Å; E3319-T3322 PolarHBondContact O-N 3.17Å; E3319-T3322 VanDerWaalsContact O-N 3.09Å; E3319-D3323 WeakPolarHBondContact O-CB 3.33Å; E3319-D3323 PolarHBondContact O-N 2.97Å; E3319-I3367 HydrophobicContact CG-CG2 3.73Å; E3319-I3425 VanDerWaalsContact CD-CG2 3.48Å; E3319-I3425 HydrophobicContact CG-CG2 4.13Å; E3319-I3425 WeakPolarHBondContact OE2-CG2 3.48Å; E3319-R3429 WeakPolarHBondContact OE1-CD 3.37Å; E3319-R3429 IonicContact OE1-CZ 2.79Å; E3319-R3429 IonicContact OE1-NH1 3.2Å; E3319-R3429 PolarHBondContact OE1-NH1 3.18Å; E3319-R3429 VanDerWaalsContact OE1-NH1 3.12Å |
| 3320 | F | 94.8 | Very high | 88.7 | Confident | 54.25 Ų | 54.25 | 33.9 Ų | 33.9 | 24% | 0.238 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.4 | -41.7 | -178.8 | 174.1 | -111.6 | 0 | 0 | 0 | 112.4 | K3072 F3073 V3076 S3316 T3322 T3324 | K3072-F3320 HydrophobicContact CD-CD1 4.49Å; K3072-F3320 HydrophobicContact CD-CE1 3.87Å; K3072-F3320 HydrophobicContact CD-CZ 4.04Å; K3072-F3320 HydrophobicContact CG-CE1 4.42Å; K3072-F3320 VanDerWaalsContact NZ-CE1 3.32Å; F3073-F3320 HydrophobicContact CD1-CE1 4.27Å; F3073-F3320 HydrophobicContact CD2-CE1 4.21Å; F3073-F3320 HydrophobicContact CE1-CD1 4.47Å; F3073-F3320 AromaticContact CE1-CE1 3.71Å; F3073-F3320 HydrophobicContact CE1-CE1 3.71Å; F3073-F3320 HydrophobicContact CE1-CZ 4.17Å; F3073-F3320 AromaticContact CE2-CE1 3.66Å; F3073-F3320 HydrophobicContact CE2-CE1 3.66Å; F3073-F3320 AromaticContact CE2-CZ 3.63Å; F3073-F3320 HydrophobicContact CE2-CZ 3.63Å; F3073-F3320 HydrophobicContact CG-CE1 4.49Å; F3073-F3320 HydrophobicContact CZ-CD1 4.46Å; F3073-F3320 AromaticContact CZ-CE1 3.38Å; F3073-F3320 HydrophobicContact CZ-CE1 3.38Å; F3073-F3320 VanDerWaalsContact CZ-CE1 3.41Å; F3073-F3320 HydrophobicContact CZ-CE2 4.49Å; F3073-F3320 AromaticContact CZ-CZ 3.4Å; F3073-F3320 HydrophobicContact CZ-CZ 3.4Å; F3073-F3320 VanDerWaalsContact CZ-CZ 3.42Å; V3076-F3320 HydrophobicContact CG2-CD1 3.92Å; V3076-F3320 HydrophobicContact CG2-CE1 4.42Å; S3316-F3320 WeakPolarHBondContact O-CB 3.33Å; S3316-F3320 PolarHBondContact O-N 3.21Å; S3316-F3320 VanDerWaalsContact O-N 3.11Å; F3320-T3322 PolarHBondContact O-N 3.18Å; F3320-T3324 WeakPolarHBondContact O-CB 3.39Å; F3320-T3324 PolarHBondContact O-N 2.88Å; F3320-T3324 VanDerWaalsContact O-N 3.12Å; F3320-T3324 PolarHBondContact O-OG1 3.19Å; F3320-T3324 VanDerWaalsContact O-OG1 3.12Å |
| 3321 | L | 95.7 | Very high | 90.7 | Very high | 0.5 Ų | 0.5 | 32.3 Ų | 32.3 | 0% | 0.003 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.6 | -46.6 | 172.9 | 178.4 | 59.7 | 0 | 0 | 0 | 111.9 | V3022 F3068 V3076 F3077 S3317 L3318 E3319 T3324 L3325 | V3022-L3321 HydrophobicContact CB-CD2 4.04Å; V3022-L3321 HydrophobicContact CG1-CD2 3.88Å; V3022-L3321 HydrophobicContact CG2-CD2 4Å; F3068-L3321 HydrophobicContact CE1-CD1 3.64Å; F3068-L3321 HydrophobicContact CZ-CD1 3.99Å; V3076-L3321 HydrophobicContact CG1-CB 3.92Å; V3076-L3321 HydrophobicContact CG1-CD2 4.43Å; F3077-L3321 HydrophobicContact CE2-CD1 3.74Å; F3077-L3321 HydrophobicContact CE2-CD2 4.42Å; F3077-L3321 HydrophobicContact CZ-CD1 3.84Å; F3077-L3321 HydrophobicContact CZ-CD2 4.3Å; S3317-L3321 WeakPolarHBondContact O-CB 3.3Å; S3317-L3321 PolarHBondContact O-N 3.1Å; L3318-L3321 PolarHBondContact O-N 3.12Å; E3319-L3321 VanDerWaalsContact C-N 3.32Å; E3319-L3321 PolarHBondContact O-N 3.04Å; L3321-T3324 PolarHBondContact O-N 3.07Å; L3321-L3325 HydrophobicContact CD1-CD1 4.02Å; L3321-L3325 HydrophobicContact CD1-CG 4.18Å; L3321-L3325 HydrophobicContact CG-CD1 4.03Å; L3321-L3325 VanDerWaalsContact O-CG 3.3Å; L3321-L3325 WeakPolarHBondContact O-CG 3.37Å; L3321-L3325 PolarHBondContact O-N 3.03Å |
| 3322 | T | 96.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.2 | -40.2 | -175.7 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | T3019 L3318 E3319 F3320 T3324 L3325 L3326 W3346 V3368 C3371 I3372 | T3019-T3322 HydrophobicContact CG2-CG2 4.46Å; L3318-T3322 VanDerWaalsContact O-CB 3.32Å; L3318-T3322 WeakPolarHBondContact O-CB 3.42Å; L3318-T3322 PolarHBondContact O-N 3.47Å; L3318-T3322 PolarHBondContact O-OG1 3.2Å; E3319-T3322 PolarHBondContact O-N 3.17Å; E3319-T3322 VanDerWaalsContact O-N 3.09Å; F3320-T3322 PolarHBondContact O-N 3.18Å; T3322-T3324 VanDerWaalsContact C-N 3.33Å; T3322-T3324 PolarHBondContact O-N 2.9Å; T3322-L3325 PolarHBondContact O-N 3.03Å; T3322-L3326 VanDerWaalsContact O-CB 3.27Å; T3322-L3326 WeakPolarHBondContact O-CB 3.43Å; T3322-L3326 PolarHBondContact O-N 3.16Å; T3322-W3346 HydrophobicContact CG2-CH2 4Å; T3322-W3346 HydrophobicContact CG2-CZ2 4.01Å; T3322-V3368 HydrophobicContact CG2-CB 4.43Å; T3322-V3368 HydrophobicContact CG2-CG1 4.13Å; T3322-V3368 HydrophobicContact CG2-CG2 4.34Å; T3322-C3371 HydrophobicContact CG2-CB 3.53Å; T3322-C3371 VanDerWaalsContact CG2-CB 3.48Å; T3322-I3372 HydrophobicContact CG2-CG2 3.71Å |
| 3323 | D | 96.3 | Very high | 93.4 | Very high | 49.75 Ų | 49.75 | 23.8 Ų | 23.8 | 27% | 0.266 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -63.6 | -41.5 | 175 | -74.3 | -25 | 0 | 0 | 0 | 111.6 | E3319 L3325 L3326 E3327 C3371 R3429 | E3319-D3323 WeakPolarHBondContact O-CB 3.33Å; E3319-D3323 PolarHBondContact O-N 2.97Å; D3323-L3325 VanDerWaalsContact C-N 3.35Å; D3323-L3325 PolarHBondContact O-N 3.22Å; D3323-L3326 WeakPolarHBondContact O-CB 3.37Å; D3323-L3326 PolarHBondContact O-N 3.08Å; D3323-E3327 PolarHBondContact O-N 3.05Å; D3323-C3371 PolarHBondContact OD1-SG 3.06Å; D3323-R3429 VanDerWaalsContact CG-NH2 3.31Å; D3323-R3429 IonicContact OD1-CZ 3.28Å; D3323-R3429 IonicContact OD1-NH1 2.71Å; D3323-R3429 PolarHBondContact OD1-NH1 3.14Å; D3323-R3429 IonicContact OD1-NH2 3.37Å; D3323-R3429 PolarHBondContact OD1-NH2 2.9Å; D3323-R3429 IonicContact OD2-CZ 3.08Å; D3323-R3429 IonicContact OD2-NH1 3.34Å; D3323-R3429 PolarHBondContact OD2-NH1 3.18Å; D3323-R3429 IonicContact OD2-NH2 3.19Å; D3323-R3429 PolarHBondContact OD2-NH2 3.21Å; D3323-R3429 VanDerWaalsContact OD2-NH2 3.12Å |
| 3324 | T | 96.1 | Very high | 93.8 | Very high | 8 Ų | 8 | 30.1 Ų | 30.1 | 5% | 0.049 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.7 | -41.9 | 175.1 | -50.7 | 0 | 0 | 0 | 0 | 111.8 | L3064 F3068 F3073 F3320 L3321 T3322 L3326 E3327 I3328 | L3064-T3324 HydrophobicContact CD2-CG2 4.36Å; F3068-T3324 HydrophobicContact CD2-CG2 4.49Å; F3068-T3324 HydrophobicContact CE2-CG2 3.57Å; F3068-T3324 HydrophobicContact CZ-CG2 4.01Å; F3073-T3324 HydrophobicContact CE1-CG2 4.34Å; F3073-T3324 HydrophobicContact CZ-CG2 4.06Å; F3320-T3324 WeakPolarHBondContact O-CB 3.39Å; F3320-T3324 PolarHBondContact O-N 2.88Å; F3320-T3324 VanDerWaalsContact O-N 3.12Å; F3320-T3324 PolarHBondContact O-OG1 3.19Å; F3320-T3324 VanDerWaalsContact O-OG1 3.12Å; L3321-T3324 PolarHBondContact O-N 3.07Å; T3322-T3324 VanDerWaalsContact C-N 3.33Å; T3322-T3324 PolarHBondContact O-N 2.9Å; T3324-L3326 VanDerWaalsContact C-N 3.33Å; T3324-L3326 PolarHBondContact O-N 3.38Å; T3324-E3327 PolarHBondContact O-N 3.3Å; T3324-I3328 WeakPolarHBondContact O-CG1 3.3Å; T3324-I3328 PolarHBondContact O-N 3.14Å; T3324-I3328 VanDerWaalsContact O-N 3.09Å |
| 3325 | L | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.7 | -33.6 | 175.5 | -68.5 | 174.9 | 0 | 0 | 0 | 112.1 | F3015 T3019 V3037 I3041 F3068 L3321 T3322 D3323 I3328 M3329 W3346 | F3015-L3325 HydrophobicContact CD1-CD2 4.09Å; F3015-L3325 HydrophobicContact CD2-CB 3.93Å; F3015-L3325 HydrophobicContact CD2-CD2 4.4Å; F3015-L3325 HydrophobicContact CE1-CD2 3.77Å; F3015-L3325 HydrophobicContact CE2-CB 4Å; F3015-L3325 HydrophobicContact CE2-CD2 4.12Å; F3015-L3325 VanDerWaalsContact CE2-O 3.3Å; F3015-L3325 WeakPolarHBondContact CE2-O 3.42Å; F3015-L3325 HydrophobicContact CG-CB 4.42Å; F3015-L3325 HydrophobicContact CG-CD1 4.43Å; F3015-L3325 HydrophobicContact CG-CD2 4.39Å; F3015-L3325 HydrophobicContact CZ-CD2 3.79Å; T3019-L3325 HydrophobicContact CG2-CD1 3.84Å; V3037-L3325 HydrophobicContact CG1-CD2 4.23Å; I3041-L3325 HydrophobicContact CD1-CD2 4.47Å; F3068-L3325 HydrophobicContact CZ-CD2 3.93Å; F3068-L3325 HydrophobicContact CZ-CG 4.41Å; L3321-L3325 HydrophobicContact CD1-CD1 4.02Å; L3321-L3325 HydrophobicContact CD1-CG 4.18Å; L3321-L3325 HydrophobicContact CG-CD1 4.03Å; L3321-L3325 VanDerWaalsContact O-CG 3.3Å; L3321-L3325 WeakPolarHBondContact O-CG 3.37Å; L3321-L3325 PolarHBondContact O-N 3.03Å; T3322-L3325 PolarHBondContact O-N 3.03Å; D3323-L3325 VanDerWaalsContact C-N 3.35Å; D3323-L3325 PolarHBondContact O-N 3.22Å; L3325-I3328 PolarHBondContact O-N 3.1Å; L3325-M3329 WeakPolarHBondContact O-CB 3.36Å; L3325-M3329 PolarHBondContact O-N 3.26Å; L3325-W3346 HydrophobicContact CB-CH2 3.89Å |
| 3326 | L | 96.5 | Very high | 94 | Very high | 21.25 Ų | 21.25 | 31 Ų | 31 | 11% | 0.111 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.3 | -37.1 | 174.1 | -178.6 | 63.7 | 0 | 0 | 0 | 112 | T3322 D3323 T3324 M3329 S3330 L3343 W3346 C3371 I3372 | T3322-L3326 VanDerWaalsContact O-CB 3.27Å; T3322-L3326 WeakPolarHBondContact O-CB 3.43Å; T3322-L3326 PolarHBondContact O-N 3.16Å; D3323-L3326 WeakPolarHBondContact O-CB 3.37Å; D3323-L3326 PolarHBondContact O-N 3.08Å; T3324-L3326 VanDerWaalsContact C-N 3.33Å; T3324-L3326 PolarHBondContact O-N 3.38Å; L3326-M3329 PolarHBondContact O-N 3.34Å; L3326-S3330 WeakPolarHBondContact O-CB 3.34Å; L3326-S3330 PolarHBondContact O-N 3.15Å; L3326-S3330 PolarHBondContact O-OG 2.9Å; L3326-L3343 HydrophobicContact CD1-CD1 3.59Å; L3326-W3346 HydrophobicContact CB-CZ3 4.34Å; L3326-W3346 HydrophobicContact CD1-CZ3 4.36Å; L3326-C3371 VanDerWaalsContact CD2-O 3.29Å; L3326-C3371 WeakPolarHBondContact CD2-O 3.37Å; L3326-I3372 HydrophobicContact CD1-CB 4.35Å; L3326-I3372 HydrophobicContact CD1-CG2 4.21Å; L3326-I3372 HydrophobicContact CD2-CG2 4.36Å |
| 3327 | E | 95.9 | Very high | 93.9 | Very high | 84.25 Ų | 84.25 | 31.8 Ų | 31.8 | 39% | 0.394 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.7 | -49.6 | 171.3 | -178.1 | 167 | -166.9 | 0 | 0 | 110.7 | L3064 D3323 T3324 M3329 S3330 L3331 R3744 R3746 | L3064-E3327 HydrophobicContact CD1-CG 4.3Å; D3323-E3327 PolarHBondContact O-N 3.05Å; T3324-E3327 PolarHBondContact O-N 3.3Å; E3327-M3329 VanDerWaalsContact C-N 3.32Å; E3327-M3329 PolarHBondContact O-N 2.99Å; E3327-S3330 PolarHBondContact O-N 3.05Å; E3327-S3330 VanDerWaalsContact O-N 3.08Å; E3327-L3331 HydrophobicContact CG-CD1 4.32Å; E3327-L3331 HydrophobicContact CG-CG 4.39Å; E3327-L3331 VanDerWaalsContact O-CG 3.3Å; E3327-L3331 WeakPolarHBondContact O-CG 3.42Å; E3327-L3331 PolarHBondContact O-N 3.08Å; E3327-R3744 IonicContact OE2-CZ 3.77Å; E3327-R3744 IonicContact OE2-NH1 3.22Å; E3327-R3744 PolarHBondContact OE2-NH1 2.98Å; E3327-R3746 IonicContact OE1-CZ 2.95Å; E3327-R3746 IonicContact OE1-NH1 3.94Å; E3327-R3746 PolarHBondContact OE1-NH1 3.17Å |
| 3328 | I | 95.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.1 | -47.8 | 175.6 | -71.1 | 171.9 | 0 | 0 | 0 | 111.5 | F3015 I3041 L3044 L3061 L3064 F3068 T3324 L3325 S3330 V3332 | F3015-I3328 HydrophobicContact CE2-CG2 4.37Å; F3015-I3328 HydrophobicContact CZ-CG2 3.98Å; I3041-I3328 HydrophobicContact CD1-CD1 3.63Å; I3041-I3328 HydrophobicContact CG1-CD1 3.97Å; I3041-I3328 HydrophobicContact CG2-CD1 4.23Å; L3044-I3328 HydrophobicContact CD1-CG2 3.84Å; L3061-I3328 HydrophobicContact CD2-CB 4.37Å; L3061-I3328 HydrophobicContact CD2-CG1 4.36Å; L3061-I3328 HydrophobicContact CD2-CG2 3.91Å; L3064-I3328 HydrophobicContact CB-CD1 4.26Å; L3064-I3328 HydrophobicContact CB-CG1 4.23Å; L3064-I3328 HydrophobicContact CD1-CG1 3.74Å; F3068-I3328 HydrophobicContact CE2-CD1 3.82Å; F3068-I3328 HydrophobicContact CZ-CD1 4.48Å; T3324-I3328 WeakPolarHBondContact O-CG1 3.3Å; T3324-I3328 PolarHBondContact O-N 3.14Å; T3324-I3328 VanDerWaalsContact O-N 3.09Å; L3325-I3328 PolarHBondContact O-N 3.1Å; I3328-S3330 PolarHBondContact O-N 3.05Å; I3328-V3332 PolarHBondContact O-N 3.26Å |
| 3329 | M | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.4 | -40.7 | 177.7 | -174 | 178.2 | -75.2 | 0 | 0 | 111.9 | L3011 F3015 L3325 L3326 E3327 V3332 I3333 W3342 L3343 W3346 | L3011-M3329 HydrophobicContact CD2-CE 4.12Å; L3011-M3329 HydrophobicContact CG-CE 4.27Å; F3015-M3329 HydrophobicContact CD2-CE 3.85Å; F3015-M3329 HydrophobicContact CE2-CB 4.23Å; F3015-M3329 HydrophobicContact CE2-CE 4.32Å; L3325-M3329 WeakPolarHBondContact O-CB 3.36Å; L3325-M3329 PolarHBondContact O-N 3.26Å; L3326-M3329 PolarHBondContact O-N 3.34Å; E3327-M3329 VanDerWaalsContact C-N 3.32Å; E3327-M3329 PolarHBondContact O-N 2.99Å; M3329-V3332 PolarHBondContact O-N 3.11Å; M3329-I3333 HydrophobicContact CG-CD1 3.68Å; M3329-I3333 HydrophobicContact CG-CG1 4.28Å; M3329-I3333 VanDerWaalsContact O-CG1 3.31Å; M3329-I3333 WeakPolarHBondContact O-CG1 3.37Å; M3329-I3333 PolarHBondContact O-N 3.12Å; M3329-I3333 HydrophobicContact SD-CD1 4.17Å; M3329-W3342 HydrophobicContact CE-CB 4.17Å; M3329-W3342 HydrophobicContact CG-CE3 4.25Å; M3329-W3342 HydrophobicContact SD-CB 3.91Å; M3329-L3343 HydrophobicContact SD-CB 4.27Å; M3329-L3343 HydrophobicContact SD-CD1 4.5Å; M3329-W3346 HydrophobicContact CE-CD2 4.39Å; M3329-W3346 HydrophobicContact CE-CE3 3.7Å; M3329-W3346 HydrophobicContact CE-CZ3 4.29Å; M3329-W3346 HydrophobicContact SD-CE3 3.86Å; M3329-W3346 HydrophobicContact SD-CZ3 4.43Å |
| 3330 | S | 94 | Very high | 93.3 | Very high | 35 Ų | 35 | 41.8 Ų | 41.8 | 25% | 0.245 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.8 | -35.9 | -177.9 | -61.9 | 0 | 0 | 0 | 0 | 112.7 | L3326 E3327 I3328 V3332 I3333 K3334 | L3326-S3330 WeakPolarHBondContact O-CB 3.34Å; L3326-S3330 PolarHBondContact O-N 3.15Å; L3326-S3330 PolarHBondContact O-OG 2.9Å; E3327-S3330 PolarHBondContact O-N 3.05Å; E3327-S3330 VanDerWaalsContact O-N 3.08Å; I3328-S3330 PolarHBondContact O-N 3.05Å; S3330-V3332 VanDerWaalsContact C-N 3.31Å; S3330-V3332 PolarHBondContact O-N 3.16Å; S3330-I3333 PolarHBondContact O-N 3.03Å; S3330-K3334 VanDerWaalsContact O-CB 3.28Å; S3330-K3334 WeakPolarHBondContact O-CB 3.4Å; S3330-K3334 PolarHBondContact O-N 3.17Å |
| 3331 | L | 93.2 | Very high | 93.3 | Very high | 23 Ų | 23 | 43 Ų | 43 | 12% | 0.12 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.7 | -45.1 | 171.9 | -75.1 | 174 | 0 | 0 | 0 | 111.5 | T3057 Q3060 L3061 L3064 E3327 E3335 | T3057-L3331 HydrophobicContact CG2-CB 3.92Å; T3057-L3331 HydrophobicContact CG2-CD2 4.4Å; Q3060-L3331 HydrophobicContact CB-CD1 4.22Å; L3061-L3331 HydrophobicContact CD2-CB 4.48Å; L3061-L3331 HydrophobicContact CD2-CD1 4.25Å; L3064-L3331 HydrophobicContact CD1-CD1 3.69Å; E3327-L3331 HydrophobicContact CG-CD1 4.32Å; E3327-L3331 HydrophobicContact CG-CG 4.39Å; E3327-L3331 VanDerWaalsContact O-CG 3.3Å; E3327-L3331 WeakPolarHBondContact O-CG 3.42Å; E3327-L3331 PolarHBondContact O-N 3.08Å; L3331-E3335 WeakPolarHBondContact O-CG 3.21Å; L3331-E3335 PolarHBondContact O-N 3.26Å |
| 3332 | V | 93 | Very high | 93.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.7 | -43.5 | 178.3 | 178.4 | 0 | 0 | 0 | 0 | 112 | L3049 I3053 L3061 I3328 M3329 S3330 K3334 E3335 V3336 W3342 | L3049-V3332 HydrophobicContact CD2-CG1 4.09Å; I3053-V3332 HydrophobicContact CD1-CG1 4.08Å; I3053-V3332 HydrophobicContact CD1-CG2 4.1Å; L3061-V3332 HydrophobicContact CD1-CG2 4.11Å; I3328-V3332 PolarHBondContact O-N 3.26Å; M3329-V3332 PolarHBondContact O-N 3.11Å; S3330-V3332 VanDerWaalsContact C-N 3.31Å; S3330-V3332 PolarHBondContact O-N 3.16Å; V3332-K3334 VanDerWaalsContact C-N 3.31Å; V3332-K3334 PolarHBondContact O-N 3.04Å; V3332-E3335 PolarHBondContact O-N 3.04Å; V3332-V3336 PolarHBondContact O-N 3.29Å; V3332-W3342 HydrophobicContact CB-CZ3 4.2Å; V3332-W3342 HydrophobicContact CG1-CH2 4Å; V3332-W3342 HydrophobicContact CG1-CZ3 3.58Å |
| 3333 | I | 92.6 | Very high | 93.1 | Very high | 24 Ų | 24 | 43.9 Ų | 43.9 | 12% | 0.123 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.7 | -38 | 179.1 | -71.4 | 174.2 | 0 | 0 | 0 | 111.7 | M3329 S3330 E3335 V3336 P3337 F3339 T3340 W3342 L3343 | M3329-I3333 HydrophobicContact CG-CD1 3.68Å; M3329-I3333 HydrophobicContact CG-CG1 4.28Å; M3329-I3333 VanDerWaalsContact O-CG1 3.31Å; M3329-I3333 WeakPolarHBondContact O-CG1 3.37Å; M3329-I3333 PolarHBondContact O-N 3.12Å; M3329-I3333 HydrophobicContact SD-CD1 4.17Å; S3330-I3333 PolarHBondContact O-N 3.03Å; I3333-E3335 VanDerWaalsContact C-N 3.33Å; I3333-E3335 PolarHBondContact O-N 3.2Å; I3333-V3336 CarbonylContact O-C 3.52Å; I3333-V3336 PolarHBondContact O-N 3.01Å; I3333-P3337 WeakPolarHBondContact O-CA 3.38Å; I3333-F3339 HydrophobicContact CG1-CB 4.43Å; I3333-T3340 WeakPolarHBondContact CG2-OG1 3.31Å; I3333-W3342 HydrophobicContact CD1-CB 4.37Å; I3333-W3342 HydrophobicContact CG1-CE3 4.38Å; I3333-L3343 HydrophobicContact CD1-CB 4.05Å |
| 3334 | K | 91.4 | Very high | 93 | Very high | 141 Ų | 141 | 45.7 Ų | 45.7 | 61% | 0.613 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -61.9 | -41.9 | 179 | 178.7 | -176.1 | 171.1 | -150 | 0 | 112.5 | S3330 V3332 | S3330-K3334 VanDerWaalsContact O-CB 3.28Å; S3330-K3334 WeakPolarHBondContact O-CB 3.4Å; S3330-K3334 PolarHBondContact O-N 3.17Å; V3332-K3334 VanDerWaalsContact C-N 3.31Å; V3332-K3334 PolarHBondContact O-N 3.04Å |
| 3335 | E | 90.2 | Very high | 93 | Very high | 63 Ų | 63 | 49 Ų | 49 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -82 | -31.1 | -178.9 | -58.4 | -77.4 | 107.8 | 0 | 0 | 111.8 | I3053 S3054 T3057 L3331 V3332 I3333 | I3053-E3335 HydrophobicContact CG1-CB 4.45Å; I3053-E3335 HydrophobicContact CG2-CB 4.41Å; I3053-E3335 HydrophobicContact CG2-CG 4.24Å; S3054-E3335 VanDerWaalsContact CB-OE2 3.24Å; S3054-E3335 WeakPolarHBondContact CB-OE2 3.38Å; S3054-E3335 PolarHBondContact N-OE2 3.39Å; S3054-E3335 PolarHBondContact OG-OE2 3.17Å; T3057-E3335 HydrophobicContact CG2-CG 3.98Å; T3057-E3335 VanDerWaalsContact OG1-CD 3.24Å; T3057-E3335 PolarHBondContact OG1-OE1 3.44Å; T3057-E3335 PolarHBondContact OG1-OE2 3.06Å; L3331-E3335 WeakPolarHBondContact O-CG 3.21Å; L3331-E3335 PolarHBondContact O-N 3.26Å; V3332-E3335 PolarHBondContact O-N 3.04Å; I3333-E3335 VanDerWaalsContact C-N 3.33Å; I3333-E3335 PolarHBondContact O-N 3.2Å |
| 3336 | V | 90 | Very high | 93 | Very high | 16 Ų | 16 | 49 Ų | 49 | 10% | 0.097 | 25% | 0.247 | C | C | . | . | trans | -128.8 | 81.5 | -178 | -168.6 | 0 | 0 | 0 | 0 | 111.2 | L3049 Q3052 I3053 V3332 I3333 K3338 F3339 | L3049-V3336 HydrophobicContact CD1-CG2 4.43Å; Q3052-V3336 HydrophobicContact CB-CG2 4.14Å; I3053-V3336 HydrophobicContact CG1-CG2 4Å; V3332-V3336 PolarHBondContact O-N 3.29Å; I3333-V3336 CarbonylContact O-C 3.52Å; I3333-V3336 PolarHBondContact O-N 3.01Å; V3336-K3338 HydrophobicContact CG1-CB 4.31Å; V3336-K3338 PolarHBondContact O-N 3.02Å; V3336-F3339 HydrophobicContact CB-CD2 3.92Å; V3336-F3339 HydrophobicContact CB-CE2 4.35Å; V3336-F3339 HydrophobicContact CG1-CD2 3.56Å; V3336-F3339 HydrophobicContact CG1-CE2 3.65Å; V3336-F3339 PolarHBondContact O-N 3.24Å | ||
| 3337 | P | 87.6 | Confident | 92.9 | Very high | 87.75 Ų | 87.75 | 48.9 Ų | 48.9 | 57% | 0.57 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -58.7 | -16.6 | -174.3 | -28.6 | 36.6 | 0 | 0 | 0 | 116 | I3333 F3339 T3340 | I3333-P3337 WeakPolarHBondContact O-CA 3.38Å; P3337-F3339 PolarHBondContact O-N 3.08Å; P3337-F3339 VanDerWaalsContact O-N 3.11Å; P3337-T3340 WeakPolarHBondContact O-CB 3.36Å; P3337-T3340 PolarHBondContact O-N 3.01Å; P3337-T3340 VanDerWaalsContact O-N 3.1Å; P3337-T3340 PolarHBondContact O-OG1 3.04Å |
| 3338 | K | 89.6 | Confident | 92.9 | Very high | 169.25 Ų | 169.25 | 49.9 Ų | 49.9 | 74% | 0.736 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -53.1 | -28.5 | 171.1 | -174.1 | 175.8 | -179.9 | 178 | 0 | 112.4 | V3336 H3341 | V3336-K3338 HydrophobicContact CG1-CB 4.31Å; V3336-K3338 PolarHBondContact O-N 3.02Å; K3338-H3341 PolarHBondContact O-CE1 2.99Å; K3338-H3341 PolarHBondContact O-ND1 2.93Å |
| 3339 | F | 90 | Very high | 92.9 | Very high | 19.5 Ų | 19.5 | 51.5 Ų | 51.5 | 9% | 0.086 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -93.7 | 8.1 | -177.5 | -62.8 | -61.1 | 0 | 0 | 0 | 114.9 | L3049 I3333 V3336 P3337 H3341 W3342 | L3049-F3339 HydrophobicContact CD1-CD2 4.26Å; L3049-F3339 HydrophobicContact CD1-CE2 3.56Å; L3049-F3339 HydrophobicContact CD1-CZ 4.33Å; I3333-F3339 HydrophobicContact CG1-CB 4.43Å; V3336-F3339 HydrophobicContact CB-CD2 3.92Å; V3336-F3339 HydrophobicContact CB-CE2 4.35Å; V3336-F3339 HydrophobicContact CG1-CD2 3.56Å; V3336-F3339 HydrophobicContact CG1-CE2 3.65Å; V3336-F3339 PolarHBondContact O-N 3.24Å; P3337-F3339 PolarHBondContact O-N 3.08Å; P3337-F3339 VanDerWaalsContact O-N 3.11Å; F3339-H3341 AromaticContact CD1-CE1 3.88Å; F3339-H3341 PolarHBondContact O-N 3.26Å; F3339-W3342 HydrophobicContact CB-CD2 3.71Å; F3339-W3342 HydrophobicContact CB-CE3 3.83Å; F3339-W3342 HydrophobicContact CB-CG 4.24Å; F3339-W3342 HydrophobicContact CB-CH2 4.14Å; F3339-W3342 HydrophobicContact CB-CZ2 4.01Å; F3339-W3342 HydrophobicContact CB-CZ3 4.06Å; F3339-W3342 HydrophobicContact CD1-CD2 4.13Å; F3339-W3342 AromaticContact CD1-CE2 3.31Å; F3339-W3342 HydrophobicContact CD1-CH2 4.03Å; F3339-W3342 AromaticContact CD1-CZ2 3.24Å; F3339-W3342 HydrophobicContact CD1-CZ2 3.24Å; F3339-W3342 AromaticContact CD1-NE1 3.47Å; F3339-W3342 HydrophobicContact CD2-CH2 4.11Å; F3339-W3342 HydrophobicContact CD2-CZ2 4.13Å; F3339-W3342 HydrophobicContact CE1-CH2 4.47Å; F3339-W3342 AromaticContact CE1-CZ2 3.63Å; F3339-W3342 HydrophobicContact CE1-CZ2 3.63Å; F3339-W3342 HydrophobicContact CE2-CZ2 4.45Å; F3339-W3342 HydrophobicContact CG-CD2 4.16Å; F3339-W3342 AromaticContact CG-CE2 3.71Å; F3339-W3342 HydrophobicContact CG-CE3 4.39Å; F3339-W3342 AromaticContact CG-CH2 3.83Å; F3339-W3342 HydrophobicContact CG-CH2 3.83Å; F3339-W3342 AromaticContact CG-CZ2 3.52Å; F3339-W3342 HydrophobicContact CG-CZ2 3.52Å; F3339-W3342 VanDerWaalsContact CG-CZ2 3.49Å; F3339-W3342 HydrophobicContact CG-CZ3 4.25Å; F3339-W3342 HydrophobicContact CZ-CZ2 4.22Å; F3339-W3342 VanDerWaalsContact O-CB 3.27Å; F3339-W3342 WeakPolarHBondContact O-CB 3.36Å; F3339-W3342 PolarHBondContact O-N 3.12Å |
| 3340 | T | 89.4 | Confident | 93 | Very high | 81 Ų | 81 | 51.5 Ų | 51.5 | 50% | 0.497 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -30.3 | 175 | -58 | 0 | 0 | 0 | 0 | 113.2 | I3333 P3337 W3342 L3343 | I3333-T3340 WeakPolarHBondContact CG2-OG1 3.31Å; P3337-T3340 WeakPolarHBondContact O-CB 3.36Å; P3337-T3340 PolarHBondContact O-N 3.01Å; P3337-T3340 VanDerWaalsContact O-N 3.1Å; P3337-T3340 PolarHBondContact O-OG1 3.04Å; T3340-W3342 PolarHBondContact O-N 3.03Å; T3340-L3343 PolarHBondContact O-N 2.85Å |
| 3341 | H | 93 | Very high | 93 | Very high | 79 Ų | 79 | 52.7 Ų | 52.7 | 37% | 0.366 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63 | -17.8 | 175.3 | 71.4 | -94.2 | 0 | 0 | 0 | 114.6 | K3338 F3339 L3343 D3344 Q3345 | K3338-H3341 PolarHBondContact O-CE1 2.99Å; K3338-H3341 PolarHBondContact O-ND1 2.93Å; F3339-H3341 AromaticContact CD1-CE1 3.88Å; F3339-H3341 PolarHBondContact O-N 3.26Å; H3341-L3343 PolarHBondContact O-N 3.09Å; H3341-D3344 PolarHBondContact O-N 3.17Å; H3341-Q3345 WeakPolarHBondContact O-CB 3.35Å; H3341-Q3345 WeakPolarHBondContact O-CG 3.3Å; H3341-Q3345 PolarHBondContact O-N 3.17Å |
| 3342 | W | 94.9 | Very high | 93 | Very high | 0.75 Ų | 0.75 | 54.8 Ų | 54.8 | 0% | 0.003 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 177.3 | -76.1 | -7.9 | 0 | 0 | 0 | 112.7 | C3008 L3011 P3012 L3049 M3329 V3332 I3333 F3339 T3340 Q3345 W3346 | C3008-W3342 PolarHBondContact O-NE1 2.96Å; L3011-W3342 HydrophobicContact CB-CD2 4.43Å; L3011-W3342 HydrophobicContact CB-CE3 4.45Å; L3011-W3342 HydrophobicContact CB-CZ3 4.5Å; L3011-W3342 HydrophobicContact CD2-CD2 4.28Å; L3011-W3342 HydrophobicContact CD2-CE3 3.56Å; L3011-W3342 HydrophobicContact CD2-CH2 4.04Å; L3011-W3342 HydrophobicContact CD2-CZ3 3.41Å; L3011-W3342 VanDerWaalsContact CD2-CZ3 3.41Å; P3012-W3342 HydrophobicContact CG-CB 3.69Å; P3012-W3342 HydrophobicContact CG-CG 3.77Å; P3012-W3342 WeakPolarHBondContact CG-O 3.3Å; L3049-W3342 HydrophobicContact CD2-CH2 3.92Å; M3329-W3342 HydrophobicContact CE-CB 4.17Å; M3329-W3342 HydrophobicContact CG-CE3 4.25Å; M3329-W3342 HydrophobicContact SD-CB 3.91Å; V3332-W3342 HydrophobicContact CB-CZ3 4.2Å; V3332-W3342 HydrophobicContact CG1-CH2 4Å; V3332-W3342 HydrophobicContact CG1-CZ3 3.58Å; I3333-W3342 HydrophobicContact CD1-CB 4.37Å; I3333-W3342 HydrophobicContact CG1-CE3 4.38Å; F3339-W3342 HydrophobicContact CB-CD2 3.71Å; F3339-W3342 HydrophobicContact CB-CE3 3.83Å; F3339-W3342 HydrophobicContact CB-CG 4.24Å; F3339-W3342 HydrophobicContact CB-CH2 4.14Å; F3339-W3342 HydrophobicContact CB-CZ2 4.01Å; F3339-W3342 HydrophobicContact CB-CZ3 4.06Å; F3339-W3342 HydrophobicContact CD1-CD2 4.13Å; F3339-W3342 AromaticContact CD1-CE2 3.31Å; F3339-W3342 HydrophobicContact CD1-CH2 4.03Å; F3339-W3342 AromaticContact CD1-CZ2 3.24Å; F3339-W3342 HydrophobicContact CD1-CZ2 3.24Å; F3339-W3342 AromaticContact CD1-NE1 3.47Å; F3339-W3342 HydrophobicContact CD2-CH2 4.11Å; F3339-W3342 HydrophobicContact CD2-CZ2 4.13Å; F3339-W3342 HydrophobicContact CE1-CH2 4.47Å; F3339-W3342 AromaticContact CE1-CZ2 3.63Å; F3339-W3342 HydrophobicContact CE1-CZ2 3.63Å; F3339-W3342 HydrophobicContact CE2-CZ2 4.45Å; F3339-W3342 HydrophobicContact CG-CD2 4.16Å; F3339-W3342 AromaticContact CG-CE2 3.71Å; F3339-W3342 HydrophobicContact CG-CE3 4.39Å; F3339-W3342 AromaticContact CG-CH2 3.83Å; F3339-W3342 HydrophobicContact CG-CH2 3.83Å; F3339-W3342 AromaticContact CG-CZ2 3.52Å; F3339-W3342 HydrophobicContact CG-CZ2 3.52Å; F3339-W3342 VanDerWaalsContact CG-CZ2 3.49Å; F3339-W3342 HydrophobicContact CG-CZ3 4.25Å; F3339-W3342 HydrophobicContact CZ-CZ2 4.22Å; F3339-W3342 VanDerWaalsContact O-CB 3.27Å; F3339-W3342 WeakPolarHBondContact O-CB 3.36Å; F3339-W3342 PolarHBondContact O-N 3.12Å; T3340-W3342 PolarHBondContact O-N 3.03Å; W3342-Q3345 PolarHBondContact O-N 3.17Å; W3342-W3346 WeakPolarHBondContact O-CB 3.34Å; W3342-W3346 PolarHBondContact O-N 2.98Å |
| 3343 | L | 95 | Very high | 93.1 | Very high | 20 Ų | 20 | 55.1 Ų | 55.1 | 11% | 0.105 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.6 | -40.4 | -179.6 | -179.8 | 60.4 | 0 | 0 | 0 | 111 | L3326 M3329 I3333 T3340 H3341 W3346 T3347 I3372 K3374 | L3326-L3343 HydrophobicContact CD1-CD1 3.59Å; M3329-L3343 HydrophobicContact SD-CB 4.27Å; M3329-L3343 HydrophobicContact SD-CD1 4.5Å; I3333-L3343 HydrophobicContact CD1-CB 4.05Å; T3340-L3343 PolarHBondContact O-N 2.85Å; H3341-L3343 PolarHBondContact O-N 3.09Å; L3343-W3346 PolarHBondContact O-N 2.99Å; L3343-T3347 VanDerWaalsContact O-CB 3.31Å; L3343-T3347 WeakPolarHBondContact O-CB 3.43Å; L3343-T3347 PolarHBondContact O-N 3.06Å; L3343-T3347 PolarHBondContact O-OG1 3.32Å; L3343-I3372 HydrophobicContact CD1-CB 4.16Å; L3343-K3374 HydrophobicContact CD2-CD 3.89Å; L3343-K3374 HydrophobicContact CD2-CG 4.42Å; L3343-K3374 VanDerWaalsContact CD2-NZ 3.3Å |
| 3344 | D | 94 | Very high | 93.2 | Very high | 87.75 Ų | 87.75 | 53.9 Ų | 53.9 | 47% | 0.469 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61 | -49.9 | 173.5 | 176.6 | 41.3 | 0 | 0 | 0 | 111.2 | H3341 W3346 T3347 Q3348 | H3341-D3344 PolarHBondContact O-N 3.17Å; D3344-W3346 VanDerWaalsContact C-N 3.34Å; D3344-W3346 PolarHBondContact O-N 2.9Å; D3344-T3347 CarbonylContact O-C 3.59Å; D3344-T3347 WeakPolarHBondContact O-CB 3.32Å; D3344-T3347 PolarHBondContact O-N 2.98Å; D3344-T3347 VanDerWaalsContact O-N 3.14Å; D3344-Q3348 WeakPolarHBondContact O-CB 3.47Å; D3344-Q3348 VanDerWaalsContact O-CG 3.3Å; D3344-Q3348 WeakPolarHBondContact O-CG 3.32Å; D3344-Q3348 PolarHBondContact O-N 3.13Å; D3344-Q3348 PolarHBondContact OD1-NE2 3.1Å; D3344-Q3348 PolarHBondContact OD2-NE2 3.14Å |
| 3345 | Q | 95.1 | Very high | 93.3 | Very high | 75.75 Ų | 75.75 | 49 Ų | 49 | 35% | 0.354 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.7 | -40.7 | 175.2 | -74.6 | -178.6 | 8.5 | 0 | 0 | 113.1 | P3012 H3341 W3342 Q3348 L3349 | P3012-Q3345 HydrophobicContact CB-CB 4.02Å; P3012-Q3345 HydrophobicContact CG-CB 4.2Å; H3341-Q3345 WeakPolarHBondContact O-CB 3.35Å; H3341-Q3345 WeakPolarHBondContact O-CG 3.3Å; H3341-Q3345 PolarHBondContact O-N 3.17Å; W3342-Q3345 PolarHBondContact O-N 3.17Å; Q3345-Q3348 PolarHBondContact O-N 3.15Å; Q3345-L3349 VanDerWaalsContact O-CG 3.28Å; Q3345-L3349 WeakPolarHBondContact O-CG 3.44Å; Q3345-L3349 PolarHBondContact O-N 3.15Å; Q3345-L3349 VanDerWaalsContact O-N 3.1Å |
| 3346 | W | 96.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68 | -40.6 | 176.7 | -169.6 | 14.9 | 0 | 0 | 0 | 111.4 | P3012 F3015 T3019 T3322 L3325 L3326 M3329 W3342 L3343 D3344 Q3348 L3349 A3350 V3368 I3372 | P3012-W3346 HydrophobicContact CB-CB 4.14Å; F3015-W3346 HydrophobicContact CB-CD2 4.36Å; F3015-W3346 HydrophobicContact CB-CH2 4.25Å; F3015-W3346 HydrophobicContact CB-CZ2 3.91Å; F3015-W3346 HydrophobicContact CD2-CE3 4.45Å; F3015-W3346 HydrophobicContact CD2-CH2 4.15Å; F3015-W3346 AromaticContact CD2-CZ3 4Å; F3015-W3346 HydrophobicContact CD2-CZ3 4.04Å; T3019-W3346 HydrophobicContact CG2-CZ2 4.19Å; T3322-W3346 HydrophobicContact CG2-CH2 4Å; T3322-W3346 HydrophobicContact CG2-CZ2 4.01Å; L3325-W3346 HydrophobicContact CB-CH2 3.89Å; L3326-W3346 HydrophobicContact CB-CZ3 4.34Å; L3326-W3346 HydrophobicContact CD1-CZ3 4.36Å; M3329-W3346 HydrophobicContact CE-CD2 4.39Å; M3329-W3346 HydrophobicContact CE-CE3 3.7Å; M3329-W3346 HydrophobicContact CE-CZ3 4.29Å; M3329-W3346 HydrophobicContact SD-CE3 3.86Å; M3329-W3346 HydrophobicContact SD-CZ3 4.43Å; W3342-W3346 WeakPolarHBondContact O-CB 3.34Å; W3342-W3346 PolarHBondContact O-N 2.98Å; L3343-W3346 PolarHBondContact O-N 2.99Å; D3344-W3346 VanDerWaalsContact C-N 3.34Å; D3344-W3346 PolarHBondContact O-N 2.9Å; W3346-Q3348 PolarHBondContact O-N 3Å; W3346-L3349 PolarHBondContact O-N 3.17Å; W3346-A3350 WeakPolarHBondContact O-CB 3.35Å; W3346-A3350 PolarHBondContact O-N 3.23Å; W3346-V3368 HydrophobicContact CZ2-CG1 4.29Å; W3346-I3372 HydrophobicContact CB-CD1 4.15Å; W3346-I3372 HydrophobicContact CD2-CD1 3.72Å; W3346-I3372 HydrophobicContact CD2-CG2 4.29Å; W3346-I3372 HydrophobicContact CE3-CD1 4.27Å; W3346-I3372 HydrophobicContact CE3-CG2 4.02Å; W3346-I3372 HydrophobicContact CG-CD1 3.65Å; W3346-I3372 HydrophobicContact CH2-CG2 3.82Å; W3346-I3372 HydrophobicContact CZ2-CG2 4.1Å; W3346-I3372 HydrophobicContact CZ3-CG2 3.78Å |
| 3347 | T | 95.7 | Very high | 93.4 | Very high | 19.5 Ų | 19.5 | 53.5 Ų | 53.5 | 12% | 0.12 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 175.2 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | L3343 D3344 L3349 A3350 R3351 L3369 C3373 | L3343-T3347 VanDerWaalsContact O-CB 3.31Å; L3343-T3347 WeakPolarHBondContact O-CB 3.43Å; L3343-T3347 PolarHBondContact O-N 3.06Å; L3343-T3347 PolarHBondContact O-OG1 3.32Å; D3344-T3347 CarbonylContact O-C 3.59Å; D3344-T3347 WeakPolarHBondContact O-CB 3.32Å; D3344-T3347 PolarHBondContact O-N 2.98Å; D3344-T3347 VanDerWaalsContact O-N 3.14Å; T3347-L3349 PolarHBondContact O-N 2.99Å; T3347-A3350 PolarHBondContact O-N 3.24Å; T3347-R3351 WeakPolarHBondContact O-CB 3.38Å; T3347-R3351 PolarHBondContact O-N 2.97Å; T3347-L3369 HydrophobicContact CG2-CD1 4.14Å; T3347-C3373 HydrophobicContact CG2-CB 4.36Å |
| 3348 | Q | 95.1 | Very high | 93.6 | Very high | 105.25 Ų | 105.25 | 49.4 Ų | 49.4 | 49% | 0.492 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.3 | -42.3 | 176.4 | -70.5 | 172.2 | 22.3 | 0 | 0 | 112.1 | D3344 Q3345 W3346 R3351 K3352 | D3344-Q3348 WeakPolarHBondContact O-CB 3.47Å; D3344-Q3348 VanDerWaalsContact O-CG 3.3Å; D3344-Q3348 WeakPolarHBondContact O-CG 3.32Å; D3344-Q3348 PolarHBondContact O-N 3.13Å; D3344-Q3348 PolarHBondContact OD1-NE2 3.1Å; D3344-Q3348 PolarHBondContact OD2-NE2 3.14Å; Q3345-Q3348 PolarHBondContact O-N 3.15Å; W3346-Q3348 PolarHBondContact O-N 3Å; Q3348-R3351 PolarHBondContact O-N 2.93Å; Q3348-K3352 WeakPolarHBondContact O-CB 3.47Å; Q3348-K3352 PolarHBondContact O-N 3.12Å |
| 3349 | L | 95.3 | Very high | 93.6 | Very high | 34.25 Ų | 34.25 | 42.5 Ų | 42.5 | 18% | 0.179 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63 | -48.4 | 175.2 | -72.9 | 169.8 | 0 | 0 | 0 | 111.7 | R3013 H3016 Q3345 W3346 T3347 K3352 F3353 | R3013-L3349 HydrophobicContact CG-CD1 4.07Å; H3016-L3349 HydrophobicContact CB-CD1 4.26Å; H3016-L3349 PolarHBondContact CE1-O 3.19Å; Q3345-L3349 VanDerWaalsContact O-CG 3.28Å; Q3345-L3349 WeakPolarHBondContact O-CG 3.44Å; Q3345-L3349 PolarHBondContact O-N 3.15Å; Q3345-L3349 VanDerWaalsContact O-N 3.1Å; W3346-L3349 PolarHBondContact O-N 3.17Å; T3347-L3349 PolarHBondContact O-N 2.99Å; L3349-K3352 PolarHBondContact O-N 3.15Å; L3349-F3353 WeakPolarHBondContact O-CD2 3.39Å; L3349-F3353 PolarHBondContact O-N 3.02Å |
| 3350 | A | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.2 | -46.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | W3346 T3347 K3352 F3353 A3354 V3368 L3369 I3372 | W3346-A3350 WeakPolarHBondContact O-CB 3.35Å; W3346-A3350 PolarHBondContact O-N 3.23Å; T3347-A3350 PolarHBondContact O-N 3.24Å; A3350-K3352 VanDerWaalsContact C-N 3.33Å; A3350-K3352 PolarHBondContact O-N 3.21Å; A3350-F3353 PolarHBondContact O-N 3.18Å; A3350-A3354 VanDerWaalsContact O-CB 3.28Å; A3350-A3354 WeakPolarHBondContact O-CB 3.34Å; A3350-A3354 PolarHBondContact O-N 3.17Å; A3350-V3368 HydrophobicContact CB-CB 4.46Å; A3350-V3368 HydrophobicContact CB-CG1 3.87Å; A3350-L3369 HydrophobicContact CB-CB 4.36Å; A3350-I3372 HydrophobicContact CB-CD1 3.97Å |
| 3351 | R | 94.8 | Very high | 93.8 | Very high | 59.25 Ų | 59.25 | 38.4 Ų | 38.4 | 22% | 0.224 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.1 | -40.7 | 177.7 | -179.2 | 175.2 | -82.4 | -101.7 | -1 | 112.4 | T3347 Q3348 A3354 F3355 L3369 D3380 | T3347-R3351 WeakPolarHBondContact O-CB 3.38Å; T3347-R3351 PolarHBondContact O-N 2.97Å; Q3348-R3351 PolarHBondContact O-N 2.93Å; R3351-A3354 PolarHBondContact O-N 3.12Å; R3351-F3355 HydrophobicContact CG-CD2 3.81Å; R3351-F3355 HydrophobicContact CG-CE2 3.88Å; R3351-F3355 WeakPolarHBondContact O-CD2 3.35Å; R3351-F3355 PolarHBondContact O-N 3.18Å; R3351-L3369 HydrophobicContact CB-CD1 4.04Å; R3351-D3380 IonicContact CZ-OD1 3.05Å; R3351-D3380 IonicContact CZ-OD2 3.5Å; R3351-D3380 VanDerWaalsContact CZ-OD2 3.24Å; R3351-D3380 IonicContact NH1-OD1 3.64Å; R3351-D3380 PolarHBondContact NH1-OD1 3.31Å; R3351-D3380 IonicContact NH1-OD2 3.04Å; R3351-D3380 PolarHBondContact NH1-OD2 3.14Å; R3351-D3380 VanDerWaalsContact NH2-CG 3.35Å; R3351-D3380 IonicContact NH2-OD1 3.44Å; R3351-D3380 PolarHBondContact NH2-OD1 3.38Å; R3351-D3380 IonicContact NH2-OD2 3Å; R3351-D3380 PolarHBondContact NH2-OD2 3.3Å |
| 3352 | K | 93.7 | Very high | 93.9 | Very high | 68.5 Ų | 68.5 | 34.9 Ų | 34.9 | 30% | 0.298 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -59.5 | -49.3 | 175.6 | 179.4 | 178 | 174.1 | 179 | 0 | 111.9 | E2970 Q3348 L3349 A3350 Q3356 | E2970-K3352 IonicContact OE1-NZ 3.05Å; E2970-K3352 PolarHBondContact OE1-NZ 3.2Å; E2970-K3352 IonicContact OE2-NZ 2.76Å; E2970-K3352 PolarHBondContact OE2-NZ 3.22Å; Q3348-K3352 WeakPolarHBondContact O-CB 3.47Å; Q3348-K3352 PolarHBondContact O-N 3.12Å; L3349-K3352 PolarHBondContact O-N 3.15Å; A3350-K3352 VanDerWaalsContact C-N 3.33Å; A3350-K3352 PolarHBondContact O-N 3.21Å; K3352-Q3356 VanDerWaalsContact O-CB 3.28Å; K3352-Q3356 WeakPolarHBondContact O-CB 3.44Å; K3352-Q3356 VanDerWaalsContact O-CG 3.26Å; K3352-Q3356 WeakPolarHBondContact O-CG 3.24Å; K3352-Q3356 PolarHBondContact O-N 3.15Å |
| 3353 | F | 94.9 | Very high | 93.9 | Very high | 4.75 Ų | 4.75 | 34.8 Ų | 34.8 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -76.3 | -26.5 | 180 | -79 | -85.6 | 0 | 0 | 0 | 113.8 | I2969 E2970 H3016 L3020 L3349 A3350 F3355 Q3356 L3361 A3365 | I2969-F3353 HydrophobicContact CB-CZ 4.46Å; I2969-F3353 HydrophobicContact CG2-CE1 3.84Å; I2969-F3353 HydrophobicContact CG2-CZ 3.71Å; E2970-F3353 HydrophobicContact CB-CZ 4.29Å; E2970-F3353 HydrophobicContact CG-CE1 4.45Å; E2970-F3353 HydrophobicContact CG-CE2 4.02Å; E2970-F3353 HydrophobicContact CG-CZ 3.52Å; E2970-F3353 VanDerWaalsContact CG-CZ 3.5Å; H3016-F3353 AromaticContact CE1-CD2 3.6Å; H3016-F3353 AromaticContact NE2-CD2 3.3Å; H3016-F3353 VanDerWaalsContact NE2-CD2 3.3Å; H3016-F3353 WeakPolarHBondContact NE2-CD2 3.34Å; H3016-F3353 AromaticContact NE2-CE2 3.35Å; H3016-F3353 VanDerWaalsContact NE2-CE2 3.34Å; H3016-F3353 WeakPolarHBondContact NE2-CE2 3.36Å; L3020-F3353 HydrophobicContact CD1-CD2 4.37Å; L3020-F3353 HydrophobicContact CD1-CE2 4.41Å; L3020-F3353 HydrophobicContact CD1-CG 4.46Å; L3349-F3353 WeakPolarHBondContact O-CD2 3.39Å; L3349-F3353 PolarHBondContact O-N 3.02Å; A3350-F3353 PolarHBondContact O-N 3.18Å; F3353-F3355 VanDerWaalsContact C-N 3.26Å; F3353-F3355 PolarHBondContact O-N 2.98Å; F3353-Q3356 PolarHBondContact O-N 2.99Å; F3353-L3361 HydrophobicContact CD1-CD1 4.4Å; F3353-L3361 HydrophobicContact CE1-CD1 4.19Å; F3353-A3365 HydrophobicContact CB-CB 3.5Å; F3353-A3365 VanDerWaalsContact CB-CB 3.49Å |
| 3354 | A | 94.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.5 | -36.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A3350 R3351 Q3362 A3365 I3366 L3369 | A3350-A3354 VanDerWaalsContact O-CB 3.28Å; A3350-A3354 WeakPolarHBondContact O-CB 3.34Å; A3350-A3354 PolarHBondContact O-N 3.17Å; R3351-A3354 PolarHBondContact O-N 3.12Å; A3354-Q3362 WeakPolarHBondContact O-CG 3.4Å; A3354-Q3362 PolarHBondContact O-NE2 3.17Å; A3354-A3365 HydrophobicContact CB-CB 4.24Å; A3354-I3366 HydrophobicContact CB-CG1 3.69Å; A3354-L3369 HydrophobicContact CB-CB 4.46Å; A3354-L3369 HydrophobicContact CB-CD2 3.86Å |
| 3355 | F | 93.9 | Very high | 94 | Very high | 37.5 Ų | 37.5 | 30.8 Ų | 30.8 | 16% | 0.164 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -98.6 | 3.1 | -179.3 | -65.3 | -53.1 | 0 | 0 | 0 | 114.4 | R3351 F3353 L3369 F3376 D3380 Q3383 L3384 I3387 Y3966 | R3351-F3355 HydrophobicContact CG-CD2 3.81Å; R3351-F3355 HydrophobicContact CG-CE2 3.88Å; R3351-F3355 WeakPolarHBondContact O-CD2 3.35Å; R3351-F3355 PolarHBondContact O-N 3.18Å; F3353-F3355 VanDerWaalsContact C-N 3.26Å; F3353-F3355 PolarHBondContact O-N 2.98Å; F3355-L3369 HydrophobicContact CE2-CD2 4.35Å; F3355-L3369 HydrophobicContact CZ-CD2 4.48Å; F3355-F3376 HydrophobicContact CZ-CZ 4.41Å; F3355-D3380 HydrophobicContact CZ-CB 4.25Å; F3355-Q3383 HydrophobicContact CD1-CB 4.23Å; F3355-Q3383 HydrophobicContact CD1-CG 3.67Å; F3355-Q3383 HydrophobicContact CE1-CB 3.91Å; F3355-Q3383 HydrophobicContact CE1-CG 3.73Å; F3355-Q3383 HydrophobicContact CG-CG 4.45Å; F3355-Q3383 HydrophobicContact CZ-CB 4.48Å; F3355-Q3383 HydrophobicContact CZ-CG 4.47Å; F3355-L3384 HydrophobicContact CE1-CD2 3.81Å; F3355-L3384 HydrophobicContact CE1-CG 4.01Å; F3355-L3384 HydrophobicContact CZ-CD2 4.42Å; F3355-L3384 HydrophobicContact CZ-CG 4.4Å; F3355-I3387 HydrophobicContact CD1-CD1 3.91Å; F3355-I3387 HydrophobicContact CE1-CD1 4.45Å; F3355-Y3966 HydrophobicContact CB-CE2 4.28Å |
| 3356 | Q | 91.7 | Very high | 94.1 | Very high | 67.75 Ų | 67.75 | 27.2 Ų | 27.2 | 32% | 0.317 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -104.8 | 133.9 | 172.1 | -150.2 | 175.8 | 6.2 | 0 | 0 | 110.4 | C2973 K3352 F3353 N3358 Q3362 | C2973-Q3356 HydrophobicContact CB-CG 3.84Å; K3352-Q3356 VanDerWaalsContact O-CB 3.28Å; K3352-Q3356 WeakPolarHBondContact O-CB 3.44Å; K3352-Q3356 VanDerWaalsContact O-CG 3.26Å; K3352-Q3356 WeakPolarHBondContact O-CG 3.24Å; K3352-Q3356 PolarHBondContact O-N 3.15Å; F3353-Q3356 PolarHBondContact O-N 2.99Å; Q3356-N3358 PolarHBondContact O-N 3.15Å; Q3356-Q3362 VanDerWaalsContact O-CD 3.23Å; Q3356-Q3362 WeakPolarHBondContact O-CG 3.28Å; Q3356-Q3362 PolarHBondContact O-NE2 3.03Å; Q3356-Q3362 PolarHBondContact O-OE1 3.26Å |
| 3357 | H | 91.1 | Very high | 94.1 | Very high | 105.75 Ų | 105.75 | 27.3 Ų | 27.3 | 49% | 0.49 | 13% | 0.129 | S | C | . | . | trans | -69.8 | 117.5 | -176.9 | 178.7 | 64.9 | 0 | 0 | 0 | 112.1 | ||||
| 3358 | N | 91.9 | Very high | 94.1 | Very high | 1.5 Ų | 1.5 | 26.4 Ų | 26.4 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | trans | -162 | 97.1 | 175.8 | -176.4 | -38 | 0 | 0 | 0 | 109.4 | T2972 C2973 Q3356 A3360 L3361 Q3362 | T2972-N3358 PolarHBondContact OG1-ND2 3.2Å; C2973-N3358 PolarHBondContact N-ND2 2.87Å; C2973-N3358 PolarHBondContact SG-ND2 3.08Å; C2973-N3358 VanDerWaalsContact SG-ND2 3.39Å; Q3356-N3358 PolarHBondContact O-N 3.15Å; N3358-A3360 PolarHBondContact O-N 3.15Å; N3358-A3360 VanDerWaalsContact O-N 3.09Å; N3358-A3360 PolarHBondContact OD1-N 3.15Å; N3358-L3361 HydrophobicContact CB-CB 4.38Å; N3358-L3361 PolarHBondContact O-N 3.29Å; N3358-L3361 VanDerWaalsContact O-N 3.11Å; N3358-L3361 PolarHBondContact OD1-N 3.07Å; N3358-L3361 VanDerWaalsContact OD1-N 3.07Å; N3358-Q3362 HydrophobicContact CB-CB 4.47Å; N3358-Q3362 WeakPolarHBondContact O-CA 3.46Å; N3358-Q3362 WeakPolarHBondContact O-CB 3.39Å; N3358-Q3362 PolarHBondContact O-N 3.19Å | ||
| 3359 | P | 89.6 | Confident | 94.2 | Very high | 25.25 Ų | 25.25 | 21.4 Ų | 21.4 | 16% | 0.164 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -30.3 | -171.4 | -28.7 | 36.9 | 0 | 0 | 0 | 115.1 | P3363 A3415 | P3359-P3363 VanDerWaalsContact O-CD 3.26Å; P3359-P3363 WeakPolarHBondContact O-CD 3.24Å; P3359-A3415 HydrophobicContact CB-CB 4.44Å |
| 3360 | A | 89.2 | Confident | 94.1 | Very high | 12.5 Ų | 12.5 | 20 Ų | 20 | 10% | 0.103 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -33.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T2977 L2980 N3358 R3364 | T2977-A3360 PolarHBondContact O-N 3.02Å; L2980-A3360 HydrophobicContact CB-CB 4.27Å; N3358-A3360 PolarHBondContact O-N 3.15Å; N3358-A3360 VanDerWaalsContact O-N 3.09Å; N3358-A3360 PolarHBondContact OD1-N 3.15Å; A3360-R3364 PolarHBondContact O-NE 3.11Å |
| 3361 | L | 93 | Very high | 94.1 | Very high | 1.25 Ų | 1.25 | 20.5 Ų | 20.5 | 1% | 0.007 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -31.9 | -171.9 | -62.5 | -176.3 | 0 | 0 | 0 | 114.4 | I2969 L2980 L3020 L3021 F3353 N3358 R3364 A3365 | I2969-L3361 HydrophobicContact CG2-CD1 3.66Å; L2980-L3361 HydrophobicContact CD1-CD1 4.4Å; L2980-L3361 HydrophobicContact CD1-CD2 4.46Å; L2980-L3361 HydrophobicContact CD1-CG 4.47Å; L2980-L3361 HydrophobicContact CD2-CD2 4.31Å; L3020-L3361 HydrophobicContact CB-CD2 4.45Å; L3020-L3361 HydrophobicContact CD2-CB 4.47Å; L3020-L3361 HydrophobicContact CD2-CD2 4.48Å; L3021-L3361 HydrophobicContact CD2-CD2 4.38Å; F3353-L3361 HydrophobicContact CD1-CD1 4.4Å; F3353-L3361 HydrophobicContact CE1-CD1 4.19Å; N3358-L3361 HydrophobicContact CB-CB 4.38Å; N3358-L3361 PolarHBondContact O-N 3.29Å; N3358-L3361 VanDerWaalsContact O-N 3.11Å; N3358-L3361 PolarHBondContact OD1-N 3.07Å; N3358-L3361 VanDerWaalsContact OD1-N 3.07Å; L3361-R3364 WeakPolarHBondContact O-CB 3.32Å; L3361-R3364 PolarHBondContact O-N 3.22Å; L3361-R3364 VanDerWaalsContact O-N 3.14Å; L3361-A3365 PolarHBondContact O-N 3.29Å |
| 3362 | Q | 95 | Very high | 94.1 | Very high | 4.75 Ų | 4.75 | 17.8 Ų | 17.8 | 2% | 0.022 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.1 | -44.5 | -174.4 | -173.3 | 178.6 | 16 | 0 | 0 | 113.2 | A3354 Q3356 N3358 R3364 A3365 I3366 L3419 | A3354-Q3362 WeakPolarHBondContact O-CG 3.4Å; A3354-Q3362 PolarHBondContact O-NE2 3.17Å; Q3356-Q3362 VanDerWaalsContact O-CD 3.23Å; Q3356-Q3362 WeakPolarHBondContact O-CG 3.28Å; Q3356-Q3362 PolarHBondContact O-NE2 3.03Å; Q3356-Q3362 PolarHBondContact O-OE1 3.26Å; N3358-Q3362 HydrophobicContact CB-CB 4.47Å; N3358-Q3362 WeakPolarHBondContact O-CA 3.46Å; N3358-Q3362 WeakPolarHBondContact O-CB 3.39Å; N3358-Q3362 PolarHBondContact O-N 3.19Å; Q3362-R3364 VanDerWaalsContact C-N 3.29Å; Q3362-R3364 PolarHBondContact O-N 3.41Å; Q3362-A3365 PolarHBondContact O-N 3.09Å; Q3362-I3366 HydrophobicContact CG-CD1 3.81Å; Q3362-I3366 HydrophobicContact CG-CG1 4.46Å; Q3362-I3366 WeakPolarHBondContact O-CB 3.36Å; Q3362-I3366 VanDerWaalsContact O-CG1 3.27Å; Q3362-I3366 WeakPolarHBondContact O-CG1 3.39Å; Q3362-I3366 PolarHBondContact O-N 3.12Å; Q3362-L3419 HydrophobicContact CG-CD1 4.16Å |
| 3363 | P | 94.7 | Very high | 94.1 | Very high | 0.25 Ų | 0.25 | 15.1 Ų | 15.1 | 0% | 0.002 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.2 | -39.8 | 175.6 | -21.1 | 32.5 | 0 | 0 | 0 | 112.1 | P3359 I3366 I3367 Y3418 L3419 A3422 | P3359-P3363 VanDerWaalsContact O-CD 3.26Å; P3359-P3363 WeakPolarHBondContact O-CD 3.24Å; P3363-I3366 PolarHBondContact O-N 3.17Å; P3363-I3367 PolarHBondContact O-N 3.29Å; P3363-I3367 VanDerWaalsContact O-N 3.09Å; P3363-Y3418 HydrophobicContact CB-CD1 3.7Å; P3363-Y3418 HydrophobicContact CB-CE1 3.66Å; P3363-Y3418 HydrophobicContact CG-CD1 3.8Å; P3363-Y3418 HydrophobicContact CG-CE1 4.07Å; P3363-L3419 HydrophobicContact CB-CD1 4.44Å; P3363-L3419 HydrophobicContact CG-CB 4.03Å; P3363-L3419 HydrophobicContact CG-CD1 3.96Å; P3363-A3422 HydrophobicContact CB-CB 3.78Å; P3363-A3422 WeakPolarHBondContact O-CB 3.41Å |
| 3364 | R | 95.1 | Very high | 93.8 | Very high | 22.5 Ų | 22.5 | 21.2 Ų | 21.2 | 9% | 0.085 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.9 | -45.4 | 178 | -56.7 | 177.5 | 173.9 | -130.2 | -8.8 | 111 | L3020 V3022 C3023 L3318 A3360 L3361 Q3362 I3366 I3367 V3368 | L3020-R3364 HydrophobicContact CD2-CB 4.3Å; L3020-R3364 VanDerWaalsContact O-CD 3.24Å; L3020-R3364 WeakPolarHBondContact O-CD 3.25Å; L3020-R3364 PolarHBondContact O-NH1 3.19Å; V3022-R3364 PolarHBondContact O-NH1 3.05Å; C3023-R3364 PolarHBondContact O-NH2 3.22Å; L3318-R3364 HydrophobicContact CD2-CB 3.77Å; L3318-R3364 HydrophobicContact CD2-CG 4.13Å; A3360-R3364 PolarHBondContact O-NE 3.11Å; L3361-R3364 WeakPolarHBondContact O-CB 3.32Å; L3361-R3364 PolarHBondContact O-N 3.22Å; L3361-R3364 VanDerWaalsContact O-N 3.14Å; Q3362-R3364 VanDerWaalsContact C-N 3.29Å; Q3362-R3364 PolarHBondContact O-N 3.41Å; R3364-I3366 VanDerWaalsContact C-N 3.32Å; R3364-I3366 PolarHBondContact O-N 3.01Å; R3364-I3367 PolarHBondContact O-N 3.05Å; R3364-V3368 VanDerWaalsContact O-CG2 3.27Å; R3364-V3368 WeakPolarHBondContact O-CG2 3.43Å; R3364-V3368 PolarHBondContact O-N 3.19Å |
| 3365 | A | 96.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.5 | -34.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L3020 F3353 A3354 L3361 Q3362 V3368 L3369 | L3020-A3365 HydrophobicContact CD2-CB 4.21Å; F3353-A3365 HydrophobicContact CB-CB 3.5Å; F3353-A3365 VanDerWaalsContact CB-CB 3.49Å; A3354-A3365 HydrophobicContact CB-CB 4.24Å; L3361-A3365 PolarHBondContact O-N 3.29Å; Q3362-A3365 PolarHBondContact O-N 3.09Å; A3365-V3368 PolarHBondContact O-N 3.21Å; A3365-L3369 VanDerWaalsContact O-CB 3.3Å; A3365-L3369 WeakPolarHBondContact O-CB 3.35Å; A3365-L3369 PolarHBondContact O-N 3.18Å |
| 3366 | I | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66 | -45.8 | 175.5 | -74.4 | 167.3 | 0 | 0 | 0 | 111.2 | A3354 Q3362 P3363 R3364 V3368 L3369 G3370 L3384 L3419 A3422 I3423 C3426 | A3354-I3366 HydrophobicContact CB-CG1 3.69Å; Q3362-I3366 HydrophobicContact CG-CD1 3.81Å; Q3362-I3366 HydrophobicContact CG-CG1 4.46Å; Q3362-I3366 WeakPolarHBondContact O-CB 3.36Å; Q3362-I3366 VanDerWaalsContact O-CG1 3.27Å; Q3362-I3366 WeakPolarHBondContact O-CG1 3.39Å; Q3362-I3366 PolarHBondContact O-N 3.12Å; P3363-I3366 PolarHBondContact O-N 3.17Å; R3364-I3366 VanDerWaalsContact C-N 3.32Å; R3364-I3366 PolarHBondContact O-N 3.01Å; I3366-V3368 PolarHBondContact O-N 3.01Å; I3366-L3369 PolarHBondContact O-N 3.14Å; I3366-G3370 PolarHBondContact O-N 3.19Å; I3366-L3384 HydrophobicContact CD1-CD2 4.45Å; I3366-L3384 HydrophobicContact CG1-CD2 4.36Å; I3366-L3384 HydrophobicContact CG2-CD2 4.48Å; I3366-L3419 HydrophobicContact CD1-CD1 3.68Å; I3366-A3422 HydrophobicContact CG2-CB 4.32Å; I3366-A3422 WeakPolarHBondContact CG2-O 3.38Å; I3366-I3423 HydrophobicContact CD1-CD1 4.41Å; I3366-I3423 HydrophobicContact CD1-CG1 3.84Å; I3366-I3423 HydrophobicContact CG2-CG1 4.15Å; I3366-C3426 HydrophobicContact CG2-CB 3.47Å; I3366-C3426 VanDerWaalsContact CG2-CB 3.47Å; I3366-C3426 PolarHBondContact O-SG 3.19Å |
| 3367 | I | 96.6 | Very high | 92.9 | Very high | 1.25 Ų | 1.25 | 29.9 Ų | 29.9 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.5 | -50.2 | 171.7 | -67.6 | -60.9 | 0 | 0 | 0 | 111 | L3315 L3318 E3319 P3363 R3364 L3369 G3370 C3371 A3422 I3425 | L3315-I3367 HydrophobicContact CB-CD1 4.22Å; L3315-I3367 HydrophobicContact CB-CG1 4.36Å; L3315-I3367 HydrophobicContact CD2-CD1 4.26Å; L3315-I3367 HydrophobicContact CD2-CG1 3.72Å; L3318-I3367 HydrophobicContact CB-CG2 4.23Å; L3318-I3367 HydrophobicContact CD2-CB 3.98Å; L3318-I3367 HydrophobicContact CD2-CG1 4.45Å; L3318-I3367 HydrophobicContact CD2-CG2 4.03Å; L3318-I3367 HydrophobicContact CG-CB 4.39Å; L3318-I3367 HydrophobicContact CG-CG2 3.87Å; E3319-I3367 HydrophobicContact CG-CG2 3.73Å; P3363-I3367 PolarHBondContact O-N 3.29Å; P3363-I3367 VanDerWaalsContact O-N 3.09Å; R3364-I3367 PolarHBondContact O-N 3.05Å; I3367-L3369 VanDerWaalsContact C-N 3.3Å; I3367-L3369 PolarHBondContact O-N 3.18Å; I3367-G3370 WeakPolarHBondContact O-CA 3.47Å; I3367-G3370 PolarHBondContact O-N 3.21Å; I3367-G3370 VanDerWaalsContact O-N 3.12Å; I3367-C3371 PolarHBondContact O-N 3Å; I3367-C3371 PolarHBondContact O-SG 3.26Å; I3367-A3422 HydrophobicContact CD1-CB 4.15Å; I3367-A3422 HydrophobicContact CG1-CB 4.08Å; I3367-I3425 HydrophobicContact CD1-CB 3.71Å; I3367-I3425 HydrophobicContact CD1-CD1 4.13Å; I3367-I3425 HydrophobicContact CD1-CG2 3.53Å |
| 3368 | V | 96.8 | Very high | 92.7 | Very high | 0.5 Ų | 0.5 | 26.7 Ų | 26.7 | 0% | 0.003 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.2 | -42.8 | -178.2 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | T3019 L3318 T3322 W3346 A3350 R3364 A3365 I3366 G3370 C3371 I3372 | T3019-V3368 VanDerWaalsContact CB-CG2 3.5Å; T3019-V3368 HydrophobicContact CG2-CG2 4.15Å; T3019-V3368 WeakPolarHBondContact OG1-CG2 3.32Å; L3318-V3368 HydrophobicContact CD1-CG2 4.38Å; T3322-V3368 HydrophobicContact CG2-CB 4.43Å; T3322-V3368 HydrophobicContact CG2-CG1 4.13Å; T3322-V3368 HydrophobicContact CG2-CG2 4.34Å; W3346-V3368 HydrophobicContact CZ2-CG1 4.29Å; A3350-V3368 HydrophobicContact CB-CB 4.46Å; A3350-V3368 HydrophobicContact CB-CG1 3.87Å; R3364-V3368 VanDerWaalsContact O-CG2 3.27Å; R3364-V3368 WeakPolarHBondContact O-CG2 3.43Å; R3364-V3368 PolarHBondContact O-N 3.19Å; A3365-V3368 PolarHBondContact O-N 3.21Å; I3366-V3368 PolarHBondContact O-N 3.01Å; V3368-G3370 VanDerWaalsContact C-N 3.33Å; V3368-G3370 PolarHBondContact O-N 3.4Å; V3368-C3371 PolarHBondContact O-N 3.04Å; V3368-C3371 VanDerWaalsContact O-N 3.15Å; V3368-I3372 HydrophobicContact CG1-CD1 3.97Å; V3368-I3372 WeakPolarHBondContact O-CG1 3.27Å; V3368-I3372 PolarHBondContact O-N 3.3Å; V3368-I3372 VanDerWaalsContact O-N 3.08Å |
| 3369 | L | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.9 | -43.9 | 174.6 | -176.9 | 64.6 | 0 | 0 | 0 | 111.9 | T3347 A3350 R3351 A3354 F3355 A3365 I3366 I3367 C3371 I3372 C3373 F3376 | T3347-L3369 HydrophobicContact CG2-CD1 4.14Å; A3350-L3369 HydrophobicContact CB-CB 4.36Å; R3351-L3369 HydrophobicContact CB-CD1 4.04Å; A3354-L3369 HydrophobicContact CB-CB 4.46Å; A3354-L3369 HydrophobicContact CB-CD2 3.86Å; F3355-L3369 HydrophobicContact CE2-CD2 4.35Å; F3355-L3369 HydrophobicContact CZ-CD2 4.48Å; A3365-L3369 VanDerWaalsContact O-CB 3.3Å; A3365-L3369 WeakPolarHBondContact O-CB 3.35Å; A3365-L3369 PolarHBondContact O-N 3.18Å; I3366-L3369 PolarHBondContact O-N 3.14Å; I3367-L3369 VanDerWaalsContact C-N 3.3Å; I3367-L3369 PolarHBondContact O-N 3.18Å; L3369-C3371 VanDerWaalsContact C-N 3.28Å; L3369-C3371 PolarHBondContact O-N 3.19Å; L3369-I3372 PolarHBondContact O-N 3.24Å; L3369-C3373 HydrophobicContact CD1-CB 4.09Å; L3369-C3373 WeakPolarHBondContact O-CB 3.42Å; L3369-C3373 PolarHBondContact O-N 3.23Å; L3369-C3373 VanDerWaalsContact O-N 3.09Å; L3369-F3376 HydrophobicContact CD2-CE2 4.34Å |
| 3370 | G | 94.6 | Very high | 92.7 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 5% | 0.052 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66 | -22.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | I3366 I3367 V3368 R3429 | I3366-G3370 PolarHBondContact O-N 3.19Å; I3367-G3370 WeakPolarHBondContact O-CA 3.47Å; I3367-G3370 PolarHBondContact O-N 3.21Å; I3367-G3370 VanDerWaalsContact O-N 3.12Å; V3368-G3370 VanDerWaalsContact C-N 3.33Å; V3368-G3370 PolarHBondContact O-N 3.4Å; G3370-R3429 WeakPolarHBondContact O-CB 3.41Å; G3370-R3429 PolarHBondContact O-NE 3.08Å; G3370-R3429 VanDerWaalsContact O-NE 3.16Å |
| 3371 | C | 95.6 | Very high | 92.8 | Very high | 10.75 Ų | 10.75 | 29.3 Ų | 29.3 | 7% | 0.073 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -83.4 | -44.9 | 173 | -65.7 | 0 | 0 | 0 | 0 | 112.8 | T3322 D3323 L3326 I3367 V3368 L3369 R3429 | T3322-C3371 HydrophobicContact CG2-CB 3.53Å; T3322-C3371 VanDerWaalsContact CG2-CB 3.48Å; D3323-C3371 PolarHBondContact OD1-SG 3.06Å; L3326-C3371 VanDerWaalsContact CD2-O 3.29Å; L3326-C3371 WeakPolarHBondContact CD2-O 3.37Å; I3367-C3371 PolarHBondContact O-N 3Å; I3367-C3371 PolarHBondContact O-SG 3.26Å; V3368-C3371 PolarHBondContact O-N 3.04Å; V3368-C3371 VanDerWaalsContact O-N 3.15Å; L3369-C3371 VanDerWaalsContact C-N 3.28Å; L3369-C3371 PolarHBondContact O-N 3.19Å; C3371-R3429 VanDerWaalsContact SG-CZ 3.59Å |
| 3372 | I | 95.6 | Very high | 92.7 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -97.1 | -17.2 | -167 | 74.4 | -175.1 | 0 | 0 | 0 | 115.2 | T3322 L3326 L3343 W3346 A3350 V3368 L3369 | T3322-I3372 HydrophobicContact CG2-CG2 3.71Å; L3326-I3372 HydrophobicContact CD1-CB 4.35Å; L3326-I3372 HydrophobicContact CD1-CG2 4.21Å; L3326-I3372 HydrophobicContact CD2-CG2 4.36Å; L3343-I3372 HydrophobicContact CD1-CB 4.16Å; W3346-I3372 HydrophobicContact CB-CD1 4.15Å; W3346-I3372 HydrophobicContact CD2-CD1 3.72Å; W3346-I3372 HydrophobicContact CD2-CG2 4.29Å; W3346-I3372 HydrophobicContact CE3-CD1 4.27Å; W3346-I3372 HydrophobicContact CE3-CG2 4.02Å; W3346-I3372 HydrophobicContact CG-CD1 3.65Å; W3346-I3372 HydrophobicContact CH2-CG2 3.82Å; W3346-I3372 HydrophobicContact CZ2-CG2 4.1Å; W3346-I3372 HydrophobicContact CZ3-CG2 3.78Å; A3350-I3372 HydrophobicContact CB-CD1 3.97Å; V3368-I3372 HydrophobicContact CG1-CD1 3.97Å; V3368-I3372 WeakPolarHBondContact O-CG1 3.27Å; V3368-I3372 PolarHBondContact O-N 3.3Å; V3368-I3372 VanDerWaalsContact O-N 3.08Å; L3369-I3372 PolarHBondContact O-N 3.24Å |
| 3373 | C | 93 | Very high | 92.6 | Very high | 12.75 Ų | 12.75 | 34.4 Ų | 34.4 | 9% | 0.086 | 16% | 0.163 | C | C | . | . | trans | -74.8 | 137.3 | -175.1 | -153.6 | 0 | 0 | 0 | 0 | 112 | T3347 L3369 R3375 L3430 L3433 | T3347-C3373 HydrophobicContact CG2-CB 4.36Å; L3369-C3373 HydrophobicContact CD1-CB 4.09Å; L3369-C3373 WeakPolarHBondContact O-CB 3.42Å; L3369-C3373 PolarHBondContact O-N 3.23Å; L3369-C3373 VanDerWaalsContact O-N 3.09Å; C3373-R3375 PolarHBondContact SG-O 3.2Å; C3373-L3430 HydrophobicContact CB-CD2 4.03Å; C3373-L3433 VanDerWaalsContact O-CD1 3.25Å; C3373-L3433 WeakPolarHBondContact O-CD1 3.27Å | ||
| 3374 | K | 89.3 | Confident | 92.6 | Very high | 132 Ų | 132 | 34.3 Ų | 34.3 | 57% | 0.574 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -109.6 | -3.6 | -178.9 | -71.4 | -173.1 | 173.5 | 178.2 | 0 | 114.8 | L3343 | L3343-K3374 HydrophobicContact CD2-CD 3.89Å; L3343-K3374 HydrophobicContact CD2-CG 4.42Å; L3343-K3374 VanDerWaalsContact CD2-NZ 3.3Å |
| 3375 | R | 86 | Confident | 92.5 | Very high | 214.75 Ų | 214.75 | 34.2 Ų | 34.2 | 81% | 0.81 | 16% | 0.164 | S | C | * | . | trans | -150.2 | 134.4 | 177.6 | -62.3 | -175.5 | -174.9 | 178.3 | 1 | 108.3 | C3373 | C3373-R3375 PolarHBondContact SG-O 3.2Š| ||
| 3376 | F | 86.8 | Confident | 92.5 | Very high | 9.5 Ų | 9.5 | 38.6 Ų | 38.6 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | trans | -137.3 | 153.9 | 177.9 | -146 | -115.4 | 0 | 0 | 0 | 109.5 | F3355 L3369 D3380 I3381 L3384 L3430 L3434 | F3355-F3376 HydrophobicContact CZ-CZ 4.41Å; L3369-F3376 HydrophobicContact CD2-CE2 4.34Å; F3376-D3380 HydrophobicContact CD1-CB 3.9Å; F3376-D3380 HydrophobicContact CD2-CB 4.04Å; F3376-D3380 HydrophobicContact CE1-CB 3.44Å; F3376-D3380 VanDerWaalsContact CE1-CB 3.42Å; F3376-D3380 HydrophobicContact CE2-CB 3.6Å; F3376-D3380 VanDerWaalsContact CE2-CB 3.47Å; F3376-D3380 HydrophobicContact CG-CB 4.18Å; F3376-D3380 HydrophobicContact CZ-CB 3.29Å; F3376-I3381 HydrophobicContact CD1-CD1 4.31Å; F3376-I3381 HydrophobicContact CD1-CG1 3.67Å; F3376-I3381 HydrophobicContact CE1-CG1 3.59Å; F3376-L3384 HydrophobicContact CE1-CD1 3.95Å; F3376-L3384 HydrophobicContact CZ-CD1 3.65Å; F3376-L3384 HydrophobicContact CZ-CG 4.3Å; F3376-L3430 HydrophobicContact CB-CD2 4.34Å; F3376-L3430 HydrophobicContact CD1-CB 4.23Å; F3376-L3430 HydrophobicContact CD1-CD1 3.94Å; F3376-L3430 HydrophobicContact CD2-CD1 3.8Å; F3376-L3430 HydrophobicContact CD2-CD2 3.96Å; F3376-L3430 HydrophobicContact CD2-CG 4.41Å; F3376-L3430 HydrophobicContact CE1-CD1 3.7Å; F3376-L3430 HydrophobicContact CE2-CD1 3.56Å; F3376-L3430 HydrophobicContact CE2-CD2 4.45Å; F3376-L3430 HydrophobicContact CG-CB 4.32Å; F3376-L3430 HydrophobicContact CG-CD1 3.98Å; F3376-L3430 HydrophobicContact CG-CD2 4.14Å; F3376-L3430 HydrophobicContact CG-CG 4.39Å; F3376-L3430 HydrophobicContact CZ-CD1 3.49Å; F3376-L3430 VanDerWaalsContact CZ-CD1 3.49Å; F3376-L3434 HydrophobicContact CB-CD1 4.1Å; F3376-L3434 HydrophobicContact CD1-CD1 4.31Å | ||
| 3377 | T | 87.2 | Confident | 92.4 | Very high | 63.75 Ų | 63.75 | 39.7 Ų | 39.7 | 39% | 0.391 | 19% | 0.186 | S | C | . | . | trans | -123.6 | 157.6 | -176.6 | 59.2 | 0 | 0 | 0 | 0 | 111.3 | T3379 D3380 I3381 | T3377-T3379 WeakPolarHBondContact CB-OG1 3.44Å; T3377-T3379 PolarHBondContact O-N 3.14Å; T3377-T3379 VanDerWaalsContact O-N 3.12Å; T3377-T3379 PolarHBondContact OG1-OG1 3.16Å; T3377-D3380 PolarHBondContact N-OD2 3.21Å; T3377-D3380 WeakPolarHBondContact O-CA 3.31Å; T3377-D3380 WeakPolarHBondContact O-CB 3.4Å; T3377-D3380 PolarHBondContact O-N 3.17Å; T3377-D3380 VanDerWaalsContact OG1-CG 3.28Å; T3377-D3380 PolarHBondContact OG1-N 3.11Å; T3377-D3380 PolarHBondContact OG1-OD2 3.19Å; T3377-I3381 PolarHBondContact O-N 3.02Å; T3377-I3381 VanDerWaalsContact O-N 3.14Å | ||
| 3378 | D | 88 | Confident | 92.3 | Very high | 39.25 Ų | 39.25 | 40 Ų | 40 | 21% | 0.21 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.8 | -31.6 | 173.8 | -59.3 | -36.2 | 0 | 0 | 0 | 112.1 | D3380 I3381 K3382 S3438 T3440 L3957 | D3378-D3380 VanDerWaalsContact C-N 3.32Å; D3378-D3380 PolarHBondContact O-N 2.89Å; D3378-I3381 PolarHBondContact O-N 2.88Å; D3378-K3382 HydrophobicContact CB-CD 4.41Å; D3378-K3382 VanDerWaalsContact O-CB 3.26Å; D3378-K3382 WeakPolarHBondContact O-CB 3.37Å; D3378-K3382 VanDerWaalsContact O-CD 3.29Å; D3378-K3382 WeakPolarHBondContact O-CD 3.44Å; D3378-K3382 WeakPolarHBondContact O-CG 3.35Å; D3378-K3382 PolarHBondContact O-N 3.24Å; D3378-K3382 IonicContact OD2-NZ 2.91Å; D3378-K3382 PolarHBondContact OD2-NZ 3.47Å; D3378-S3438 WeakPolarHBondContact OD1-CB 3.42Å; D3378-S3438 PolarHBondContact OD1-OG 3.16Å; D3378-T3440 HydrophobicContact CB-CG2 3.91Å; D3378-T3440 VanDerWaalsContact OD1-CG2 3.3Å; D3378-T3440 WeakPolarHBondContact OD1-CG2 3.37Å; D3378-L3957 HydrophobicContact CB-CD2 4.36Å |
| 3379 | T | 89.8 | Confident | 92.2 | Very high | 76.25 Ų | 76.25 | 41.7 Ų | 41.7 | 47% | 0.468 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65 | -38.4 | 173.7 | 53.1 | 0 | 0 | 0 | 0 | 112.7 | T3377 K3382 Q3383 | T3377-T3379 WeakPolarHBondContact CB-OG1 3.44Å; T3377-T3379 PolarHBondContact O-N 3.14Å; T3377-T3379 VanDerWaalsContact O-N 3.12Å; T3377-T3379 PolarHBondContact OG1-OG1 3.16Å; T3379-K3382 PolarHBondContact O-N 3.13Å; T3379-Q3383 WeakPolarHBondContact O-CB 2.99Å; T3379-Q3383 WeakPolarHBondContact O-CG 3.36Å; T3379-Q3383 PolarHBondContact O-N 3.12Å; T3379-Q3383 VanDerWaalsContact O-N 3.13Å |
| 3380 | D | 90.6 | Very high | 92.1 | Very high | 15.75 Ų | 15.75 | 50.1 Ų | 50.1 | 8% | 0.084 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.7 | -38.1 | 176.3 | -64.9 | -32.7 | 0 | 0 | 0 | 111 | R3351 F3355 F3376 T3377 D3378 Q3383 L3384 | R3351-D3380 IonicContact CZ-OD1 3.05Å; R3351-D3380 IonicContact CZ-OD2 3.5Å; R3351-D3380 VanDerWaalsContact CZ-OD2 3.24Å; R3351-D3380 IonicContact NH1-OD1 3.64Å; R3351-D3380 PolarHBondContact NH1-OD1 3.31Å; R3351-D3380 IonicContact NH1-OD2 3.04Å; R3351-D3380 PolarHBondContact NH1-OD2 3.14Å; R3351-D3380 VanDerWaalsContact NH2-CG 3.35Å; R3351-D3380 IonicContact NH2-OD1 3.44Å; R3351-D3380 PolarHBondContact NH2-OD1 3.38Å; R3351-D3380 IonicContact NH2-OD2 3Å; R3351-D3380 PolarHBondContact NH2-OD2 3.3Å; F3355-D3380 HydrophobicContact CZ-CB 4.25Å; F3376-D3380 HydrophobicContact CD1-CB 3.9Å; F3376-D3380 HydrophobicContact CD2-CB 4.04Å; F3376-D3380 HydrophobicContact CE1-CB 3.44Å; F3376-D3380 VanDerWaalsContact CE1-CB 3.42Å; F3376-D3380 HydrophobicContact CE2-CB 3.6Å; F3376-D3380 VanDerWaalsContact CE2-CB 3.47Å; F3376-D3380 HydrophobicContact CG-CB 4.18Å; F3376-D3380 HydrophobicContact CZ-CB 3.29Å; T3377-D3380 PolarHBondContact N-OD2 3.21Å; T3377-D3380 WeakPolarHBondContact O-CA 3.31Å; T3377-D3380 WeakPolarHBondContact O-CB 3.4Å; T3377-D3380 PolarHBondContact O-N 3.17Å; T3377-D3380 VanDerWaalsContact OG1-CG 3.28Å; T3377-D3380 PolarHBondContact OG1-N 3.11Å; T3377-D3380 PolarHBondContact OG1-OD2 3.19Å; D3378-D3380 VanDerWaalsContact C-N 3.32Å; D3378-D3380 PolarHBondContact O-N 2.89Å; D3380-Q3383 WeakPolarHBondContact O-CB 3.36Å; D3380-Q3383 PolarHBondContact O-N 3.02Å; D3380-L3384 PolarHBondContact O-N 3.07Å |
| 3381 | I | 91.3 | Very high | 92 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.7 | -48.5 | 172 | -67.8 | -174.2 | 0 | 0 | 0 | 110.7 | F3376 T3377 D3378 Q3383 L3384 L3385 L3427 L3434 T3440 L3444 L3957 | F3376-I3381 HydrophobicContact CD1-CD1 4.31Å; F3376-I3381 HydrophobicContact CD1-CG1 3.67Å; F3376-I3381 HydrophobicContact CE1-CG1 3.59Å; T3377-I3381 PolarHBondContact O-N 3.02Å; T3377-I3381 VanDerWaalsContact O-N 3.14Å; D3378-I3381 PolarHBondContact O-N 2.88Å; I3381-Q3383 VanDerWaalsContact C-N 3.25Å; I3381-Q3383 PolarHBondContact O-N 3.26Å; I3381-Q3383 VanDerWaalsContact O-N 3.12Å; I3381-L3384 PolarHBondContact O-N 3.14Å; I3381-L3384 VanDerWaalsContact O-N 3.11Å; I3381-L3385 HydrophobicContact CG2-CD1 3.7Å; I3381-L3385 HydrophobicContact CG2-CG 4.08Å; I3381-L3385 WeakPolarHBondContact O-CB 3.35Å; I3381-L3385 WeakPolarHBondContact O-CG 3.4Å; I3381-L3385 PolarHBondContact O-N 3.11Å; I3381-L3427 HydrophobicContact CB-CD2 4.49Å; I3381-L3427 HydrophobicContact CD1-CD2 4.46Å; I3381-L3427 HydrophobicContact CG1-CD2 4.13Å; I3381-L3427 HydrophobicContact CG2-CD2 4.19Å; I3381-L3434 HydrophobicContact CD1-CD1 3.6Å; I3381-L3434 HydrophobicContact CD1-CD2 3.54Å; I3381-L3434 HydrophobicContact CD1-CG 4.07Å; I3381-L3434 HydrophobicContact CG1-CD2 4.39Å; I3381-T3440 HydrophobicContact CG2-CG2 4.44Å; I3381-L3444 HydrophobicContact CD1-CD1 4.14Å; I3381-L3957 HydrophobicContact CG2-CD2 4.5Å |
| 3382 | K | 91.2 | Very high | 91.8 | Very high | 54.75 Ų | 54.75 | 50.7 Ų | 50.7 | 24% | 0.238 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.3 | -32.9 | 176.2 | -120.1 | 170 | -175.4 | 165.7 | 0 | 111.4 | D3378 T3379 R3386 I3953 L3957 G3959 | D3378-K3382 HydrophobicContact CB-CD 4.41Å; D3378-K3382 VanDerWaalsContact O-CB 3.26Å; D3378-K3382 WeakPolarHBondContact O-CB 3.37Å; D3378-K3382 VanDerWaalsContact O-CD 3.29Å; D3378-K3382 WeakPolarHBondContact O-CD 3.44Å; D3378-K3382 WeakPolarHBondContact O-CG 3.35Å; D3378-K3382 PolarHBondContact O-N 3.24Å; D3378-K3382 IonicContact OD2-NZ 2.91Å; D3378-K3382 PolarHBondContact OD2-NZ 3.47Å; T3379-K3382 PolarHBondContact O-N 3.13Å; K3382-R3386 VanDerWaalsContact O-CB 3.23Å; K3382-R3386 WeakPolarHBondContact O-CB 3.49Å; K3382-R3386 VanDerWaalsContact O-CD 3.25Å; K3382-R3386 WeakPolarHBondContact O-CD 3.42Å; K3382-R3386 WeakPolarHBondContact O-CG 3.39Å; K3382-R3386 PolarHBondContact O-N 3.3Å; K3382-R3386 PolarHBondContact O-NE 2.92Å; K3382-I3953 VanDerWaalsContact CE-O 3.23Å; K3382-I3953 WeakPolarHBondContact CE-O 3.43Å; K3382-I3953 HydrophobicContact CG-CG2 4Å; K3382-L3957 HydrophobicContact CB-CB 3.97Å; K3382-L3957 HydrophobicContact CB-CD1 4.01Å; K3382-L3957 HydrophobicContact CB-CD2 4.47Å; K3382-L3957 HydrophobicContact CB-CG 4.38Å; K3382-L3957 HydrophobicContact CD-CB 3.7Å; K3382-L3957 WeakPolarHBondContact CD-O 3.44Å; K3382-L3957 WeakPolarHBondContact CE-O 3.32Å; K3382-L3957 HydrophobicContact CG-CB 3.7Å; K3382-L3957 HydrophobicContact CG-CD1 4.03Å; K3382-L3957 HydrophobicContact CG-CG 4.42Å; K3382-L3957 PolarHBondContact NZ-O 3.4Å; K3382-G3959 PolarHBondContact NZ-O 3.32Å |
| 3383 | Q | 93.1 | Very high | 91.6 | Very high | 57.5 Ų | 57.5 | 52.3 Ų | 52.3 | 27% | 0.269 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -76.3 | -43 | 174 | -153.1 | 157.4 | -6.5 | 0 | 0 | 113.3 | F3355 T3379 D3380 I3381 L3385 R3386 I3387 | F3355-Q3383 HydrophobicContact CD1-CB 4.23Å; F3355-Q3383 HydrophobicContact CD1-CG 3.67Å; F3355-Q3383 HydrophobicContact CE1-CB 3.91Å; F3355-Q3383 HydrophobicContact CE1-CG 3.73Å; F3355-Q3383 HydrophobicContact CG-CG 4.45Å; F3355-Q3383 HydrophobicContact CZ-CB 4.48Å; F3355-Q3383 HydrophobicContact CZ-CG 4.47Å; T3379-Q3383 WeakPolarHBondContact O-CB 2.99Å; T3379-Q3383 WeakPolarHBondContact O-CG 3.36Å; T3379-Q3383 PolarHBondContact O-N 3.12Å; T3379-Q3383 VanDerWaalsContact O-N 3.13Å; D3380-Q3383 WeakPolarHBondContact O-CB 3.36Å; D3380-Q3383 PolarHBondContact O-N 3.02Å; I3381-Q3383 VanDerWaalsContact C-N 3.25Å; I3381-Q3383 PolarHBondContact O-N 3.26Å; I3381-Q3383 VanDerWaalsContact O-N 3.12Å; Q3383-L3385 VanDerWaalsContact C-N 3.33Å; Q3383-L3385 PolarHBondContact O-N 3.15Å; Q3383-R3386 WeakPolarHBondContact O-CB 3.29Å; Q3383-R3386 PolarHBondContact O-N 3.35Å; Q3383-I3387 WeakPolarHBondContact O-CD1 3.4Å; Q3383-I3387 VanDerWaalsContact O-CG1 3.29Å; Q3383-I3387 WeakPolarHBondContact O-CG1 3.34Å; Q3383-I3387 PolarHBondContact O-N 3.05Å |
| 3384 | L | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 174 | -75.1 | -178.5 | 0 | 0 | 0 | 111.9 | F3355 I3366 F3376 D3380 I3381 R3386 I3387 M3388 I3423 L3427 L3430 | F3355-L3384 HydrophobicContact CE1-CD2 3.81Å; F3355-L3384 HydrophobicContact CE1-CG 4.01Å; F3355-L3384 HydrophobicContact CZ-CD2 4.42Å; F3355-L3384 HydrophobicContact CZ-CG 4.4Å; I3366-L3384 HydrophobicContact CD1-CD2 4.45Å; I3366-L3384 HydrophobicContact CG1-CD2 4.36Å; I3366-L3384 HydrophobicContact CG2-CD2 4.48Å; F3376-L3384 HydrophobicContact CE1-CD1 3.95Å; F3376-L3384 HydrophobicContact CZ-CD1 3.65Å; F3376-L3384 HydrophobicContact CZ-CG 4.3Å; D3380-L3384 PolarHBondContact O-N 3.07Å; I3381-L3384 PolarHBondContact O-N 3.14Å; I3381-L3384 VanDerWaalsContact O-N 3.11Å; L3384-R3386 VanDerWaalsContact C-N 3.3Å; L3384-R3386 PolarHBondContact O-N 3.23Å; L3384-I3387 WeakPolarHBondContact O-CB 3.34Å; L3384-I3387 PolarHBondContact O-N 3.06Å; L3384-I3387 VanDerWaalsContact O-N 3.11Å; L3384-M3388 PolarHBondContact O-N 3.04Å; L3384-I3423 HydrophobicContact CB-CG2 4.19Å; L3384-L3427 HydrophobicContact CB-CD2 4.35Å; L3384-L3427 HydrophobicContact CD1-CD2 3.84Å; L3384-L3427 HydrophobicContact CD1-CG 4.24Å; L3384-L3430 HydrophobicContact CD1-CD1 4.35Å |
| 3385 | L | 94.1 | Very high | 91.2 | Very high | 19.75 Ų | 19.75 | 48.8 Ų | 48.8 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64 | -33.8 | 177.3 | -67.3 | 177.1 | 0 | 0 | 0 | 112.3 | I3381 Q3383 M3388 S3389 L3427 L3444 I3447 I3953 L3957 | I3381-L3385 HydrophobicContact CG2-CD1 3.7Å; I3381-L3385 HydrophobicContact CG2-CG 4.08Å; I3381-L3385 WeakPolarHBondContact O-CB 3.35Å; I3381-L3385 WeakPolarHBondContact O-CG 3.4Å; I3381-L3385 PolarHBondContact O-N 3.11Å; Q3383-L3385 VanDerWaalsContact C-N 3.33Å; Q3383-L3385 PolarHBondContact O-N 3.15Å; L3385-M3388 HydrophobicContact CD2-CE 3.69Å; L3385-M3388 WeakPolarHBondContact O-CB 3.45Å; L3385-M3388 PolarHBondContact O-N 3.03Å; L3385-S3389 VanDerWaalsContact O-CB 3.27Å; L3385-S3389 WeakPolarHBondContact O-CB 3.19Å; L3385-S3389 PolarHBondContact O-N 3.15Å; L3385-S3389 PolarHBondContact O-OG 2.98Å; L3385-L3427 HydrophobicContact CD2-CD1 3.74Å; L3385-L3427 HydrophobicContact CG-CD1 4.47Å; L3385-L3444 HydrophobicContact CD2-CD2 4.46Å; L3385-I3447 HydrophobicContact CD1-CD1 3.76Å; L3385-I3447 HydrophobicContact CD2-CD1 3.93Å; L3385-I3447 HydrophobicContact CD2-CG2 4.31Å; L3385-I3953 HydrophobicContact CB-CD1 3.87Å; L3385-I3953 HydrophobicContact CB-CG1 4.02Å; L3385-L3957 HydrophobicContact CD1-CD1 3.94Å |
| 3386 | R | 94.9 | Very high | 91.3 | Very high | 93.25 Ų | 93.25 | 39.5 Ų | 39.5 | 35% | 0.352 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -69.6 | -31.1 | 173.5 | -154.7 | 175.8 | -93.5 | 156.6 | -9.8 | 113 | K3382 Q3383 L3384 S3389 R3390 I3953 D3954 D3961 | K3382-R3386 VanDerWaalsContact O-CB 3.23Å; K3382-R3386 WeakPolarHBondContact O-CB 3.49Å; K3382-R3386 VanDerWaalsContact O-CD 3.25Å; K3382-R3386 WeakPolarHBondContact O-CD 3.42Å; K3382-R3386 WeakPolarHBondContact O-CG 3.39Å; K3382-R3386 PolarHBondContact O-N 3.3Å; K3382-R3386 PolarHBondContact O-NE 2.92Å; Q3383-R3386 WeakPolarHBondContact O-CB 3.29Å; Q3383-R3386 PolarHBondContact O-N 3.35Å; L3384-R3386 VanDerWaalsContact C-N 3.3Å; L3384-R3386 PolarHBondContact O-N 3.23Å; R3386-S3389 PolarHBondContact O-OG 3.44Å; R3386-R3390 WeakPolarHBondContact O-CD 3.21Å; R3386-R3390 VanDerWaalsContact O-CG 3.31Å; R3386-R3390 WeakPolarHBondContact O-CG 3.42Å; R3386-R3390 PolarHBondContact O-N 3.18Å; R3386-I3953 HydrophobicContact CB-CD1 4.28Å; R3386-D3954 IonicContact NH2-OD1 2.78Å; R3386-D3954 PolarHBondContact NH2-OD1 2.83Å; R3386-D3961 IonicContact CZ-OD1 3.85Å; R3386-D3961 IonicContact NH1-OD1 3.98Å; R3386-D3961 PolarHBondContact NH1-OD1 3.02Å; R3386-D3961 IonicContact NH2-OD1 3.75Å; R3386-D3961 PolarHBondContact NH2-OD1 2.87Å |
| 3387 | I | 95 | Very high | 91.1 | Very high | 23 Ų | 23 | 43.9 Ų | 43.9 | 12% | 0.118 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.5 | -45.7 | 171 | -63.8 | 161.4 | 0 | 0 | 0 | 109.4 | F3355 Q3383 L3384 S3389 R3390 A3391 L3419 I3423 | F3355-I3387 HydrophobicContact CD1-CD1 3.91Å; F3355-I3387 HydrophobicContact CE1-CD1 4.45Å; Q3383-I3387 WeakPolarHBondContact O-CD1 3.4Å; Q3383-I3387 VanDerWaalsContact O-CG1 3.29Å; Q3383-I3387 WeakPolarHBondContact O-CG1 3.34Å; Q3383-I3387 PolarHBondContact O-N 3.05Å; L3384-I3387 WeakPolarHBondContact O-CB 3.34Å; L3384-I3387 PolarHBondContact O-N 3.06Å; L3384-I3387 VanDerWaalsContact O-N 3.11Å; I3387-S3389 VanDerWaalsContact C-N 3.33Å; I3387-S3389 PolarHBondContact O-N 3.25Å; I3387-R3390 WeakPolarHBondContact O-CB 3.42Å; I3387-R3390 PolarHBondContact O-N 3.41Å; I3387-R3390 VanDerWaalsContact O-N 3.13Å; I3387-A3391 PolarHBondContact O-N 3.19Å; I3387-L3419 HydrophobicContact CG2-CD1 4.47Å; I3387-L3419 HydrophobicContact CG2-CD2 4.13Å; I3387-L3419 HydrophobicContact CG2-CG 4.49Å; I3387-I3423 HydrophobicContact CB-CD1 4.15Å; I3387-I3423 HydrophobicContact CG2-CD1 3.78Å |
| 3388 | M | 95.1 | Very high | 90.7 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 3% | 0.034 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 178.1 | -166.9 | 178.4 | 73 | 0 | 0 | 112.6 | L3384 L3385 R3390 A3391 L3392 I3420 I3423 I3424 I3447 L3949 | L3384-M3388 PolarHBondContact O-N 3.04Å; L3385-M3388 HydrophobicContact CD2-CE 3.69Å; L3385-M3388 WeakPolarHBondContact O-CB 3.45Å; L3385-M3388 PolarHBondContact O-N 3.03Å; M3388-R3390 VanDerWaalsContact C-N 3.31Å; M3388-R3390 PolarHBondContact O-N 3.07Å; M3388-A3391 PolarHBondContact O-N 3.06Å; M3388-L3392 HydrophobicContact CE-CD1 4.48Å; M3388-L3392 HydrophobicContact CG-CD1 4.08Å; M3388-L3392 VanDerWaalsContact O-CB 3.29Å; M3388-L3392 WeakPolarHBondContact O-CB 3.35Å; M3388-L3392 VanDerWaalsContact O-CG 3.32Å; M3388-L3392 WeakPolarHBondContact O-CG 3.35Å; M3388-L3392 PolarHBondContact O-N 3.2Å; M3388-I3420 HydrophobicContact CG-CG1 4.34Å; M3388-I3420 HydrophobicContact CG-CG2 4.13Å; M3388-I3420 HydrophobicContact SD-CG2 4.45Å; M3388-I3423 HydrophobicContact CB-CD1 3.93Å; M3388-I3423 HydrophobicContact CB-CG2 4.15Å; M3388-I3423 HydrophobicContact CG-CD1 4.49Å; M3388-I3423 HydrophobicContact CG-CG2 4.47Å; M3388-I3423 HydrophobicContact SD-CG2 4.18Å; M3388-I3424 HydrophobicContact SD-CG1 4.25Å; M3388-I3447 HydrophobicContact CE-CG2 3.8Å; M3388-L3949 HydrophobicContact CE-CD1 3.83Å; M3388-L3949 HydrophobicContact CE-CD2 3.85Å |
| 3389 | S | 94.3 | Very high | 90.1 | Very high | 37 Ų | 37 | 42.8 Ų | 42.8 | 26% | 0.259 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.3 | -38 | 176.6 | 164.4 | 0 | 0 | 0 | 0 | 112.4 | L3385 R3386 I3387 L3392 A3393 E3950 | L3385-S3389 VanDerWaalsContact O-CB 3.27Å; L3385-S3389 WeakPolarHBondContact O-CB 3.19Å; L3385-S3389 PolarHBondContact O-N 3.15Å; L3385-S3389 PolarHBondContact O-OG 2.98Å; R3386-S3389 PolarHBondContact O-OG 3.44Å; I3387-S3389 VanDerWaalsContact C-N 3.33Å; I3387-S3389 PolarHBondContact O-N 3.25Å; S3389-L3392 PolarHBondContact O-N 3.27Å; S3389-A3393 WeakPolarHBondContact O-CB 3.39Å; S3389-A3393 PolarHBondContact O-N 2.98Å; S3389-A3393 VanDerWaalsContact O-N 3.1Å; S3389-E3950 WeakPolarHBondContact OG-CG 3.34Å |
| 3390 | R | 93.3 | Very high | 89.3 | Confident | 177 Ų | 177 | 44.5 Ų | 44.5 | 67% | 0.668 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -68.6 | -42.4 | 174.8 | -71.1 | 171.8 | 178.4 | -175.7 | -1 | 112.4 | R3386 I3387 M3388 L3392 A3393 S3394 | R3386-R3390 WeakPolarHBondContact O-CD 3.21Å; R3386-R3390 VanDerWaalsContact O-CG 3.31Å; R3386-R3390 WeakPolarHBondContact O-CG 3.42Å; R3386-R3390 PolarHBondContact O-N 3.18Å; I3387-R3390 WeakPolarHBondContact O-CB 3.42Å; I3387-R3390 PolarHBondContact O-N 3.41Å; I3387-R3390 VanDerWaalsContact O-N 3.13Å; M3388-R3390 VanDerWaalsContact C-N 3.31Å; M3388-R3390 PolarHBondContact O-N 3.07Å; R3390-L3392 VanDerWaalsContact C-N 3.34Å; R3390-L3392 PolarHBondContact O-N 3.48Å; R3390-A3393 PolarHBondContact O-N 3.29Å; R3390-S3394 WeakPolarHBondContact O-CB 3.31Å; R3390-S3394 PolarHBondContact O-N 2.96Å |
| 3391 | A | 92.7 | Very high | 88.3 | Confident | 1.25 Ų | 1.25 | 47.2 Ų | 47.2 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I3387 M3388 A3393 S3394 Y3395 E3416 L3419 I3420 | I3387-A3391 PolarHBondContact O-N 3.19Å; M3388-A3391 PolarHBondContact O-N 3.06Å; A3391-A3393 PolarHBondContact O-N 2.63Å; A3391-S3394 WeakPolarHBondContact O-CB 3.35Å; A3391-S3394 PolarHBondContact O-N 3.12Å; A3391-Y3395 WeakPolarHBondContact O-CB 3.37Å; A3391-Y3395 PolarHBondContact O-N 3Å; A3391-E3416 WeakPolarHBondContact CA-OE2 3.36Å; A3391-E3416 HydrophobicContact CB-CB 4.4Å; A3391-E3416 VanDerWaalsContact CB-OE2 3.24Å; A3391-E3416 WeakPolarHBondContact CB-OE2 3.44Å; A3391-L3419 HydrophobicContact CB-CD2 4.1Å; A3391-L3419 HydrophobicContact CB-CG 4.43Å; A3391-I3420 HydrophobicContact CB-CD1 4.07Å; A3391-I3420 HydrophobicContact CB-CG1 3.7Å |
| 3392 | L | 91.7 | Very high | 86.7 | Confident | 26 Ų | 26 | 54.7 Ų | 54.7 | 14% | 0.136 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 174.7 | -94.7 | 145.7 | 0 | 0 | 0 | 112.2 | M3388 S3389 R3390 Y3395 A3396 I3420 L3454 F3945 V3946 L3949 | M3388-L3392 HydrophobicContact CE-CD1 4.48Å; M3388-L3392 HydrophobicContact CG-CD1 4.08Å; M3388-L3392 VanDerWaalsContact O-CB 3.29Å; M3388-L3392 WeakPolarHBondContact O-CB 3.35Å; M3388-L3392 VanDerWaalsContact O-CG 3.32Å; M3388-L3392 WeakPolarHBondContact O-CG 3.35Å; M3388-L3392 PolarHBondContact O-N 3.2Å; S3389-L3392 PolarHBondContact O-N 3.27Å; R3390-L3392 VanDerWaalsContact C-N 3.34Å; R3390-L3392 PolarHBondContact O-N 3.48Å; L3392-Y3395 HydrophobicContact CD1-CD1 4.37Å; L3392-Y3395 PolarHBondContact O-N 3.32Å; L3392-A3396 VanDerWaalsContact O-CB 3.29Å; L3392-A3396 WeakPolarHBondContact O-CB 3.31Å; L3392-A3396 PolarHBondContact O-N 3.31Å; L3392-I3420 HydrophobicContact CB-CD1 4.17Å; L3392-I3420 HydrophobicContact CD1-CD1 4.21Å; L3392-I3420 HydrophobicContact CD2-CD1 3.68Å; L3392-I3420 HydrophobicContact CD2-CG1 4.45Å; L3392-I3420 HydrophobicContact CG-CD1 3.79Å; L3392-I3420 HydrophobicContact CG-CG1 4.25Å; L3392-L3454 HydrophobicContact CD1-CD1 3.81Å; L3392-L3454 HydrophobicContact CD1-CD2 3.97Å; L3392-L3454 HydrophobicContact CD2-CD1 3.73Å; L3392-L3454 HydrophobicContact CD2-CD2 4.39Å; L3392-F3945 HydrophobicContact CD1-CD1 3.75Å; L3392-F3945 HydrophobicContact CD1-CE1 3.62Å; L3392-F3945 HydrophobicContact CD2-CD1 4.37Å; L3392-V3946 HydrophobicContact CB-CG2 3.57Å; L3392-L3949 HydrophobicContact CD1-CD1 3.38Å |
| 3393 | A | 91.1 | Very high | 85.2 | Confident | 34.75 Ų | 34.75 | 59.8 Ų | 59.8 | 29% | 0.287 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S3389 R3390 A3391 A3396 N3397 V3946 | S3389-A3393 WeakPolarHBondContact O-CB 3.39Å; S3389-A3393 PolarHBondContact O-N 2.98Å; S3389-A3393 VanDerWaalsContact O-N 3.1Å; R3390-A3393 PolarHBondContact O-N 3.29Å; A3391-A3393 PolarHBondContact O-N 2.63Å; A3393-A3396 PolarHBondContact O-N 3.19Å; A3393-N3397 WeakPolarHBondContact O-CB 3.39Å; A3393-N3397 PolarHBondContact O-N 3.36Å; A3393-N3397 PolarHBondContact O-ND2 3.21Å; A3393-N3397 VanDerWaalsContact O-ND2 3.12Å; A3393-V3946 HydrophobicContact CB-CG1 3.99Å; A3393-V3946 HydrophobicContact CB-CG2 4.17Å |
| 3394 | S | 88.2 | Confident | 83.2 | Confident | 42.75 Ų | 42.75 | 63.8 Ų | 63.8 | 30% | 0.299 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.9 | -51.5 | 173.5 | -168.6 | 0 | 0 | 0 | 0 | 110.9 | R3390 A3391 A3396 N3397 E3398 E3416 | R3390-S3394 WeakPolarHBondContact O-CB 3.31Å; R3390-S3394 PolarHBondContact O-N 2.96Å; A3391-S3394 WeakPolarHBondContact O-CB 3.35Å; A3391-S3394 PolarHBondContact O-N 3.12Å; S3394-A3396 PolarHBondContact O-N 3.1Å; S3394-N3397 PolarHBondContact O-N 3.13Å; S3394-E3398 PolarHBondContact O-N 3.22Å; S3394-E3398 VanDerWaalsContact O-N 3.12Å; S3394-E3416 VanDerWaalsContact CB-OE1 3.26Å; S3394-E3416 WeakPolarHBondContact CB-OE1 3.31Å; S3394-E3416 PolarHBondContact OG-OE1 3.16Å |
| 3395 | Y | 87.3 | Confident | 81.5 | Confident | 28.5 Ų | 28.5 | 68.3 Ų | 68.3 | 11% | 0.112 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | 176.3 | 176.9 | -107.1 | 0 | 0 | 0 | 113.2 | A3391 L3392 N3397 E3398 L3399 L3417 E3456 | A3391-Y3395 WeakPolarHBondContact O-CB 3.37Å; A3391-Y3395 PolarHBondContact O-N 3Å; L3392-Y3395 HydrophobicContact CD1-CD1 4.37Å; L3392-Y3395 PolarHBondContact O-N 3.32Å; Y3395-N3397 VanDerWaalsContact C-N 3.32Å; Y3395-N3397 PolarHBondContact O-N 3.35Å; Y3395-E3398 PolarHBondContact O-N 3.21Å; Y3395-E3398 VanDerWaalsContact O-N 3.13Å; Y3395-L3399 HydrophobicContact CD1-CD1 4.05Å; Y3395-L3399 HydrophobicContact CD1-CG 4.43Å; Y3395-L3399 HydrophobicContact CE1-CD1 3.48Å; Y3395-L3399 VanDerWaalsContact CE1-CD1 3.41Å; Y3395-L3399 HydrophobicContact CE1-CG 4.12Å; Y3395-L3399 HydrophobicContact CE2-CD1 4.4Å; Y3395-L3399 HydrophobicContact CE2-CD2 4.31Å; Y3395-L3399 HydrophobicContact CE2-CG 4.27Å; Y3395-L3399 WeakPolarHBondContact O-CG 3.26Å; Y3395-L3399 PolarHBondContact O-N 3.1Å; Y3395-L3417 HydrophobicContact CD1-CD2 4.16Å; Y3395-L3417 HydrophobicContact CD2-CD1 4.32Å; Y3395-L3417 HydrophobicContact CD2-CD2 3.92Å; Y3395-L3417 HydrophobicContact CD2-CG 4.01Å; Y3395-L3417 HydrophobicContact CE1-CD2 4.06Å; Y3395-L3417 HydrophobicContact CE1-CG 4.3Å; Y3395-L3417 HydrophobicContact CE2-CD1 3.83Å; Y3395-L3417 HydrophobicContact CE2-CD2 3.89Å; Y3395-L3417 HydrophobicContact CE2-CG 3.81Å; Y3395-L3417 HydrophobicContact CG-CD2 4.37Å; Y3395-E3456 WeakPolarHBondContact OH-CG 3.39Å; Y3395-E3456 PolarHBondContact OH-OE1 3.12Å |
| 3396 | A | 86.3 | Confident | 79.6 | Confident | 21.5 Ų | 21.5 | 70.5 Ų | 70.5 | 18% | 0.178 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | L3392 A3393 S3394 E3398 L3399 N3400 A3942 | L3392-A3396 VanDerWaalsContact O-CB 3.29Å; L3392-A3396 WeakPolarHBondContact O-CB 3.31Å; L3392-A3396 PolarHBondContact O-N 3.31Å; A3393-A3396 PolarHBondContact O-N 3.19Å; S3394-A3396 PolarHBondContact O-N 3.1Å; A3396-E3398 VanDerWaalsContact C-N 3.35Å; A3396-L3399 PolarHBondContact O-N 3.04Å; A3396-N3400 PolarHBondContact O-N 3.05Å; A3396-N3400 PolarHBondContact O-ND2 3.12Å; A3396-N3400 VanDerWaalsContact O-ND2 3.08Å; A3396-A3942 HydrophobicContact CB-CB 3.87Å |
| 3397 | N | 83.3 | Confident | 77.8 | Confident | 101.5 Ų | 101.5 | 74.3 Ų | 74.3 | 54% | 0.543 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 173.7 | -75.4 | -45.4 | 0 | 0 | 0 | 111.7 | A3393 S3394 Y3395 L3399 N3400 M3401 | A3393-N3397 WeakPolarHBondContact O-CB 3.39Å; A3393-N3397 PolarHBondContact O-N 3.36Å; A3393-N3397 PolarHBondContact O-ND2 3.21Å; A3393-N3397 VanDerWaalsContact O-ND2 3.12Å; S3394-N3397 PolarHBondContact O-N 3.13Å; Y3395-N3397 VanDerWaalsContact C-N 3.32Å; Y3395-N3397 PolarHBondContact O-N 3.35Å; N3397-L3399 VanDerWaalsContact C-N 3.31Å; N3397-L3399 PolarHBondContact O-N 3.21Å; N3397-N3400 WeakPolarHBondContact O-CB 3.45Å; N3397-N3400 PolarHBondContact O-N 3.23Å; N3397-M3401 WeakPolarHBondContact O-CG 3.38Å; N3397-M3401 PolarHBondContact O-N 3.29Å |
| 3398 | E | 78.4 | Confident | 75.8 | Confident | 28 Ų | 28 | 81.4 Ų | 81.4 | 13% | 0.131 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 174.4 | -149.4 | -179.8 | 163.8 | 0 | 0 | 112.1 | S3394 Y3395 A3396 N3400 M3401 T3409 V3410 T3412 G3413 | S3394-E3398 PolarHBondContact O-N 3.22Å; S3394-E3398 VanDerWaalsContact O-N 3.12Å; Y3395-E3398 PolarHBondContact O-N 3.21Å; Y3395-E3398 VanDerWaalsContact O-N 3.13Å; A3396-E3398 VanDerWaalsContact C-N 3.35Å; E3398-N3400 PolarHBondContact O-N 3.08Å; E3398-N3400 VanDerWaalsContact O-N 3.15Å; E3398-M3401 PolarHBondContact O-N 3.16Å; E3398-M3401 VanDerWaalsContact O-N 3.17Å; E3398-T3409 VanDerWaalsContact CD-CB 3.45Å; E3398-T3409 HydrophobicContact CG-CG2 4.48Å; E3398-T3409 VanDerWaalsContact OE1-CB 3.24Å; E3398-T3409 WeakPolarHBondContact OE1-CB 3.27Å; E3398-T3409 VanDerWaalsContact OE1-O 3.09Å; E3398-T3409 PolarHBondContact OE1-OG1 3.05Å; E3398-T3409 VanDerWaalsContact OE1-OG1 3.1Å; E3398-T3409 VanDerWaalsContact OE2-CB 3.25Å; E3398-T3409 WeakPolarHBondContact OE2-CB 3.49Å; E3398-T3409 VanDerWaalsContact OE2-O 3.06Å; E3398-T3409 PolarHBondContact OE2-OG1 3.17Å; E3398-V3410 WeakPolarHBondContact OE1-CA 3.47Å; E3398-V3410 PolarHBondContact OE1-N 2.96Å; E3398-V3410 VanDerWaalsContact OE1-N 3.12Å; E3398-T3412 WeakPolarHBondContact OE1-CB 3.47Å; E3398-T3412 PolarHBondContact OE1-OG1 3.39Å; E3398-T3412 WeakPolarHBondContact OE2-CB 3.49Å; E3398-G3413 PolarHBondContact OE1-N 2.91Å; E3398-G3413 WeakPolarHBondContact OE2-CA 3.36Å; E3398-G3413 PolarHBondContact OE2-N 3.2Å; E3398-G3413 VanDerWaalsContact OE2-N 3.15Å |
| 3399 | L | 75.8 | Confident | 74.2 | Confident | 50.75 Ų | 50.75 | 82.4 Ų | 82.4 | 27% | 0.266 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -18.5 | 174 | -73.5 | -176.1 | 0 | 0 | 0 | 113.9 | Y3395 A3396 N3397 M3401 R3406 A3939 | Y3395-L3399 HydrophobicContact CD1-CD1 4.05Å; Y3395-L3399 HydrophobicContact CD1-CG 4.43Å; Y3395-L3399 HydrophobicContact CE1-CD1 3.48Å; Y3395-L3399 VanDerWaalsContact CE1-CD1 3.41Å; Y3395-L3399 HydrophobicContact CE1-CG 4.12Å; Y3395-L3399 HydrophobicContact CE2-CD1 4.4Å; Y3395-L3399 HydrophobicContact CE2-CD2 4.31Å; Y3395-L3399 HydrophobicContact CE2-CG 4.27Å; Y3395-L3399 WeakPolarHBondContact O-CG 3.26Å; Y3395-L3399 PolarHBondContact O-N 3.1Å; A3396-L3399 PolarHBondContact O-N 3.04Å; N3397-L3399 VanDerWaalsContact C-N 3.31Å; N3397-L3399 PolarHBondContact O-N 3.21Å; L3399-M3401 VanDerWaalsContact C-N 3.29Å; L3399-M3401 PolarHBondContact O-N 3.41Å; L3399-R3406 VanDerWaalsContact C-NH2 3.31Å; L3399-R3406 VanDerWaalsContact O-CZ 3.24Å; L3399-R3406 PolarHBondContact O-NH1 3.29Å; L3399-R3406 PolarHBondContact O-NH2 3.39Å; L3399-A3939 HydrophobicContact CB-CB 3.8Å; L3399-A3939 HydrophobicContact CD1-CB 4.18Å |
| 3400 | N | 73.4 | Confident | 72.7 | Confident | 113.25 Ų | 113.25 | 83.7 Ų | 83.7 | 61% | 0.606 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -10.6 | 175.3 | -73.8 | -37.3 | 0 | 0 | 0 | 113.9 | A3396 N3397 E3398 A3939 | A3396-N3400 PolarHBondContact O-N 3.05Å; A3396-N3400 PolarHBondContact O-ND2 3.12Å; A3396-N3400 VanDerWaalsContact O-ND2 3.08Å; N3397-N3400 WeakPolarHBondContact O-CB 3.45Å; N3397-N3400 PolarHBondContact O-N 3.23Å; E3398-N3400 PolarHBondContact O-N 3.08Å; E3398-N3400 VanDerWaalsContact O-N 3.15Å; N3400-A3939 VanDerWaalsContact OD1-CB 3.28Å; N3400-A3939 WeakPolarHBondContact OD1-CB 3.11Å |
| 3401 | M | 69.9 | Low | 71.4 | Confident | 71.3333 Ų | 71.3333 | 79.5 Ų | 79.5 | 35% | 0.351 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -73.2 | 149.7 | -179 | -71.2 | -177.3 | 68 | 0 | 0 | 113.2 | N3397 E3398 L3399 L3405 R3406 T3409 | N3397-M3401 WeakPolarHBondContact O-CG 3.38Å; N3397-M3401 PolarHBondContact O-N 3.29Å; E3398-M3401 PolarHBondContact O-N 3.16Å; E3398-M3401 VanDerWaalsContact O-N 3.17Å; L3399-M3401 VanDerWaalsContact C-N 3.29Å; L3399-M3401 PolarHBondContact O-N 3.41Å; M3401-L3405 HydrophobicContact CE-CB 3.69Å; M3401-L3405 HydrophobicContact CE-CD1 4.09Å; M3401-L3405 HydrophobicContact CE-CD2 3.77Å; M3401-L3405 HydrophobicContact CE-CG 4.38Å; M3401-R3406 HydrophobicContact CB-CG 4.16Å; M3401-R3406 PolarHBondContact O-NE 3.02Å; M3401-R3406 PolarHBondContact O-NH2 3.34Å; M3401-T3409 HydrophobicContact CE-CG2 3.9Å |
| 3402 | E | 57.8 | Low | 70.4 | Confident | 159.333 Ų | 159.333 | 82 Ų | 82 | 75% | 0.745 | 42% | 0.418 | S | S | * | . | trans | -65.9 | 153.8 | 178.9 | -167.6 | 162 | -148.5 | 0 | 0 | 112.3 | D3404 L3405 R3406 | E3402-D3404 VanDerWaalsContact C-N 3.28Å; E3402-D3404 PolarHBondContact O-N 2.87Å; E3402-D3404 VanDerWaalsContact O-N 3.13Å; E3402-L3405 PolarHBondContact O-N 3.45Å; E3402-L3405 VanDerWaalsContact O-N 3.14Å; E3402-R3406 PolarHBondContact O-N 3.29Å; E3402-R3406 VanDerWaalsContact O-N 3.1Å | ||
| 3403 | K | 58.6 | Low | 69.6 | Low | 162.333 Ų | 162.333 | 81 Ų | 81 | 71% | 0.706 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -55.8 | -35.5 | -166 | -79.4 | -178.5 | 175.8 | 175.1 | 0 | 114.6 | L3405 R3406 H3407 | K3403-L3405 VanDerWaalsContact C-N 3.31Å; K3403-L3405 PolarHBondContact O-N 2.92Å; K3403-R3406 WeakPolarHBondContact O-CB 3.49Å; K3403-R3406 WeakPolarHBondContact O-CD 3.48Å; K3403-R3406 VanDerWaalsContact O-CG 3.32Å; K3403-R3406 WeakPolarHBondContact O-CG 3.26Å; K3403-R3406 PolarHBondContact O-N 3.19Å; K3403-R3406 VanDerWaalsContact O-N 3.14Å; K3403-H3407 PolarHBondContact O-N 3.04Å |
| 3404 | D | 52.5 | Low | 69.2 | Low | 142.333 Ų | 142.333 | 83.8 Ų | 83.8 | 76% | 0.761 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -77.3 | -20.2 | -170.3 | -66.9 | -4.2 | 0 | 0 | 0 | 113.7 | E3402 | E3402-D3404 VanDerWaalsContact C-N 3.28Å; E3402-D3404 PolarHBondContact O-N 2.87Å; E3402-D3404 VanDerWaalsContact O-N 3.13Å |
| 3405 | L | 57.4 | Low | 69.1 | Low | 93.6667 Ų | 93.6667 | 82.1 Ų | 82.1 | 49% | 0.49 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -85.1 | -23.6 | 172.6 | -78.2 | 96.7 | 0 | 0 | 0 | 112.6 | M3401 E3402 K3403 H3407 K3408 T3409 | M3401-L3405 HydrophobicContact CE-CB 3.69Å; M3401-L3405 HydrophobicContact CE-CD1 4.09Å; M3401-L3405 HydrophobicContact CE-CD2 3.77Å; M3401-L3405 HydrophobicContact CE-CG 4.38Å; E3402-L3405 PolarHBondContact O-N 3.45Å; E3402-L3405 VanDerWaalsContact O-N 3.14Å; K3403-L3405 VanDerWaalsContact C-N 3.31Å; K3403-L3405 PolarHBondContact O-N 2.92Å; L3405-H3407 VanDerWaalsContact C-N 3.33Å; L3405-H3407 PolarHBondContact O-N 3.18Å; L3405-H3407 VanDerWaalsContact O-N 3.1Å; L3405-K3408 WeakPolarHBondContact O-CB 3.4Å; L3405-K3408 PolarHBondContact O-N 3.41Å; L3405-K3408 VanDerWaalsContact O-N 3.08Å; L3405-T3409 HydrophobicContact CB-CG2 4.4Å; L3405-T3409 PolarHBondContact O-N 3.4Å |
| 3406 | R | 55.2 | Low | 69.3 | Low | 66.6667 Ų | 66.6667 | 82 Ų | 82 | 25% | 0.252 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -57.8 | -34 | -173.4 | -66 | -174.1 | -168.6 | -138.2 | -8.8 | 113.6 | L3399 M3401 E3402 K3403 K3408 T3409 V3410 N3936 | L3399-R3406 VanDerWaalsContact C-NH2 3.31Å; L3399-R3406 VanDerWaalsContact O-CZ 3.24Å; L3399-R3406 PolarHBondContact O-NH1 3.29Å; L3399-R3406 PolarHBondContact O-NH2 3.39Å; M3401-R3406 HydrophobicContact CB-CG 4.16Å; M3401-R3406 PolarHBondContact O-NE 3.02Å; M3401-R3406 PolarHBondContact O-NH2 3.34Å; E3402-R3406 PolarHBondContact O-N 3.29Å; E3402-R3406 VanDerWaalsContact O-N 3.1Å; K3403-R3406 WeakPolarHBondContact O-CB 3.49Å; K3403-R3406 WeakPolarHBondContact O-CD 3.48Å; K3403-R3406 VanDerWaalsContact O-CG 3.32Å; K3403-R3406 WeakPolarHBondContact O-CG 3.26Å; K3403-R3406 PolarHBondContact O-N 3.19Å; K3403-R3406 VanDerWaalsContact O-N 3.14Å; R3406-K3408 PolarHBondContact O-N 3.01Å; R3406-K3408 VanDerWaalsContact O-N 3.08Å; R3406-T3409 WeakPolarHBondContact CA-OG1 3.41Å; R3406-T3409 PolarHBondContact O-N 3.19Å; R3406-T3409 PolarHBondContact O-OG1 3.15Å; R3406-T3409 VanDerWaalsContact O-OG1 3.13Å; R3406-V3410 VanDerWaalsContact O-CG2 3.31Å; R3406-V3410 WeakPolarHBondContact O-CG2 3.41Å; R3406-V3410 PolarHBondContact O-N 2.91Å; R3406-N3936 PolarHBondContact NH1-OD1 2.65Å |
| 3407 | H | 55.9 | Low | 69.5 | Low | 172.333 Ų | 172.333 | 82.1 Ų | 82.1 | 80% | 0.798 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.4 | -21.5 | 176.9 | -87.5 | -71 | 0 | 0 | 0 | 114.4 | K3403 L3405 | K3403-H3407 PolarHBondContact O-N 3.04Å; L3405-H3407 VanDerWaalsContact C-N 3.33Å; L3405-H3407 PolarHBondContact O-N 3.18Å; L3405-H3407 VanDerWaalsContact O-N 3.1Å |
| 3408 | K | 54.2 | Low | 69.9 | Low | 173 Ų | 173 | 78.7 Ų | 78.7 | 75% | 0.752 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -90.2 | -27.4 | 173.1 | -92.2 | 177.4 | -178.7 | 177.1 | 0 | 112.8 | L3405 R3406 | L3405-K3408 WeakPolarHBondContact O-CB 3.4Å; L3405-K3408 PolarHBondContact O-N 3.41Å; L3405-K3408 VanDerWaalsContact O-N 3.08Å; R3406-K3408 PolarHBondContact O-N 3.01Å; R3406-K3408 VanDerWaalsContact O-N 3.08Å |
| 3409 | T | 60.1 | Low | 70.7 | Confident | 26.6667 Ų | 26.6667 | 77.7 Ų | 77.7 | 16% | 0.164 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -91.9 | -22.2 | -174.6 | 67.6 | 0 | 0 | 0 | 0 | 114.1 | E3398 M3401 L3405 R3406 N3411 T3412 G3413 | E3398-T3409 VanDerWaalsContact CD-CB 3.45Å; E3398-T3409 HydrophobicContact CG-CG2 4.48Å; E3398-T3409 VanDerWaalsContact OE1-CB 3.24Å; E3398-T3409 WeakPolarHBondContact OE1-CB 3.27Å; E3398-T3409 VanDerWaalsContact OE1-O 3.09Å; E3398-T3409 PolarHBondContact OE1-OG1 3.05Å; E3398-T3409 VanDerWaalsContact OE1-OG1 3.1Å; E3398-T3409 VanDerWaalsContact OE2-CB 3.25Å; E3398-T3409 WeakPolarHBondContact OE2-CB 3.49Å; E3398-T3409 VanDerWaalsContact OE2-O 3.06Å; E3398-T3409 PolarHBondContact OE2-OG1 3.17Å; M3401-T3409 HydrophobicContact CE-CG2 3.9Å; L3405-T3409 HydrophobicContact CB-CG2 4.4Å; L3405-T3409 PolarHBondContact O-N 3.4Å; R3406-T3409 WeakPolarHBondContact CA-OG1 3.41Å; R3406-T3409 PolarHBondContact O-N 3.19Å; R3406-T3409 PolarHBondContact O-OG1 3.15Å; R3406-T3409 VanDerWaalsContact O-OG1 3.13Å; T3409-N3411 PolarHBondContact O-N 3.09Å; T3409-T3412 WeakPolarHBondContact CA-OG1 3.46Å; T3409-T3412 WeakPolarHBondContact CB-OG1 3.49Å; T3409-T3412 WeakPolarHBondContact O-CA 3.42Å; T3409-T3412 WeakPolarHBondContact O-CB 3.41Å; T3409-T3412 PolarHBondContact O-N 3.17Å; T3409-T3412 PolarHBondContact O-OG1 3.08Å; T3409-G3413 PolarHBondContact O-N 3.41Å; T3409-G3413 VanDerWaalsContact O-N 3.13Å |
| 3410 | V | 64.2 | Low | 71.6 | Confident | 65 Ų | 65 | 75.3 Ų | 75.3 | 39% | 0.394 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -46.2 | -36.5 | -174.8 | -177 | 0 | 0 | 0 | 0 | 114.3 | E3398 R3406 T3412 Q3414 | E3398-V3410 WeakPolarHBondContact OE1-CA 3.47Å; E3398-V3410 PolarHBondContact OE1-N 2.96Å; E3398-V3410 VanDerWaalsContact OE1-N 3.12Å; R3406-V3410 VanDerWaalsContact O-CG2 3.31Å; R3406-V3410 WeakPolarHBondContact O-CG2 3.41Å; R3406-V3410 PolarHBondContact O-N 2.91Å; V3410-T3412 VanDerWaalsContact C-N 3.29Å; V3410-T3412 PolarHBondContact O-N 3.3Å; V3410-Q3414 HydrophobicContact CG1-CG 4.34Å; V3410-Q3414 WeakPolarHBondContact O-CB 3.41Å; V3410-Q3414 VanDerWaalsContact O-CG 3.26Å; V3410-Q3414 WeakPolarHBondContact O-CG 3.45Å; V3410-Q3414 PolarHBondContact O-N 3.16Å |
| 3411 | N | 65.9 | Low | 72.6 | Confident | 88.6667 Ų | 88.6667 | 71.8 Ų | 71.8 | 47% | 0.474 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.5 | -30.8 | 178.5 | -64.4 | -46.1 | 0 | 0 | 0 | 113.5 | R3312 T3409 A3415 | R3312-N3411 PolarHBondContact NH2-O 3.25Å; T3409-N3411 PolarHBondContact O-N 3.09Å; N3411-A3415 WeakPolarHBondContact O-CB 3.34Å; N3411-A3415 PolarHBondContact O-N 3.04Å; N3411-A3415 VanDerWaalsContact O-N 3.07Å |
| 3412 | T | 70.3 | Confident | 73.9 | Confident | 54 Ų | 54 | 68.4 Ų | 68.4 | 33% | 0.331 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -77.1 | -53.5 | 177.8 | -21.7 | 0 | 0 | 0 | 0 | 110.7 | T2978 E3398 T3409 V3410 Q3414 A3415 E3416 | T2978-T3412 HydrophobicContact CG2-CG2 3.61Å; E3398-T3412 WeakPolarHBondContact OE1-CB 3.47Å; E3398-T3412 PolarHBondContact OE1-OG1 3.39Å; E3398-T3412 WeakPolarHBondContact OE2-CB 3.49Å; T3409-T3412 WeakPolarHBondContact CA-OG1 3.46Å; T3409-T3412 WeakPolarHBondContact CB-OG1 3.49Å; T3409-T3412 WeakPolarHBondContact O-CA 3.42Å; T3409-T3412 WeakPolarHBondContact O-CB 3.41Å; T3409-T3412 PolarHBondContact O-N 3.17Å; T3409-T3412 PolarHBondContact O-OG1 3.08Å; V3410-T3412 VanDerWaalsContact C-N 3.29Å; V3410-T3412 PolarHBondContact O-N 3.3Å; T3412-Q3414 VanDerWaalsContact C-N 3.29Å; T3412-Q3414 PolarHBondContact O-N 3.16Å; T3412-A3415 CarbonylContact O-C 3.53Å; T3412-A3415 VanDerWaalsContact O-CA 3.3Å; T3412-A3415 WeakPolarHBondContact O-CA 3.26Å; T3412-A3415 VanDerWaalsContact O-CB 3.28Å; T3412-A3415 WeakPolarHBondContact O-CB 3.32Å; T3412-A3415 PolarHBondContact O-N 3.11Å; T3412-E3416 PolarHBondContact O-N 3.25Å |
| 3413 | G | 76.9 | Confident | 75.8 | Confident | 4.33333 Ų | 4.33333 | 60.8 Ų | 60.8 | 5% | 0.045 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.6 | -40.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | E3398 T3409 A3415 E3416 L3417 | E3398-G3413 PolarHBondContact OE1-N 2.91Å; E3398-G3413 WeakPolarHBondContact OE2-CA 3.36Å; E3398-G3413 PolarHBondContact OE2-N 3.2Å; E3398-G3413 VanDerWaalsContact OE2-N 3.15Å; T3409-G3413 PolarHBondContact O-N 3.41Å; T3409-G3413 VanDerWaalsContact O-N 3.13Å; G3413-A3415 VanDerWaalsContact C-N 3.33Å; G3413-A3415 PolarHBondContact O-N 3.04Å; G3413-E3416 PolarHBondContact O-N 3.22Å; G3413-L3417 WeakPolarHBondContact O-CG 3.38Å; G3413-L3417 PolarHBondContact O-N 3.04Å |
| 3414 | Q | 82.4 | Confident | 77.6 | Confident | 94.3333 Ų | 94.3333 | 53.1 Ų | 53.1 | 44% | 0.441 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.6 | -31.8 | 170.9 | -74.3 | 179.9 | -0.9 | 0 | 0 | 113.7 | R3312 V3410 T3412 Y3418 | R3312-Q3414 PolarHBondContact NH1-O 3.3Å; V3410-Q3414 HydrophobicContact CG1-CG 4.34Å; V3410-Q3414 WeakPolarHBondContact O-CB 3.41Å; V3410-Q3414 VanDerWaalsContact O-CG 3.26Å; V3410-Q3414 WeakPolarHBondContact O-CG 3.45Å; V3410-Q3414 PolarHBondContact O-N 3.16Å; T3412-Q3414 VanDerWaalsContact C-N 3.29Å; T3412-Q3414 PolarHBondContact O-N 3.16Å; Q3414-Y3418 VanDerWaalsContact O-CB 3.29Å; Q3414-Y3418 WeakPolarHBondContact O-CB 3.47Å; Q3414-Y3418 PolarHBondContact O-N 3.25Å; Q3414-Y3418 VanDerWaalsContact O-N 3.15Å |
| 3415 | A | 86.3 | Confident | 79.6 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 5% | 0.05 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.5 | -38.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T2978 P3359 N3411 T3412 G3413 Y3418 L3419 | T2978-A3415 HydrophobicContact CG2-CB 4.18Å; P3359-A3415 HydrophobicContact CB-CB 4.44Å; N3411-A3415 WeakPolarHBondContact O-CB 3.34Å; N3411-A3415 PolarHBondContact O-N 3.04Å; N3411-A3415 VanDerWaalsContact O-N 3.07Å; T3412-A3415 CarbonylContact O-C 3.53Å; T3412-A3415 VanDerWaalsContact O-CA 3.3Å; T3412-A3415 WeakPolarHBondContact O-CA 3.26Å; T3412-A3415 VanDerWaalsContact O-CB 3.28Å; T3412-A3415 WeakPolarHBondContact O-CB 3.32Å; T3412-A3415 PolarHBondContact O-N 3.11Å; G3413-A3415 VanDerWaalsContact C-N 3.33Å; G3413-A3415 PolarHBondContact O-N 3.04Å; A3415-Y3418 PolarHBondContact O-N 3.23Å; A3415-L3419 WeakPolarHBondContact O-CB 3.48Å; A3415-L3419 PolarHBondContact O-N 3.31Å |
| 3416 | E | 89.7 | Confident | 81.5 | Confident | 27.6667 Ų | 27.6667 | 42.9 Ų | 42.9 | 13% | 0.129 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.4 | -44.5 | 174.3 | -58.5 | -69.1 | -165.3 | 0 | 0 | 111.4 | A3391 S3394 T3412 G3413 Y3418 L3419 I3420 | A3391-E3416 WeakPolarHBondContact CA-OE2 3.36Å; A3391-E3416 HydrophobicContact CB-CB 4.4Å; A3391-E3416 VanDerWaalsContact CB-OE2 3.24Å; A3391-E3416 WeakPolarHBondContact CB-OE2 3.44Å; S3394-E3416 VanDerWaalsContact CB-OE1 3.26Å; S3394-E3416 WeakPolarHBondContact CB-OE1 3.31Å; S3394-E3416 PolarHBondContact OG-OE1 3.16Å; T3412-E3416 PolarHBondContact O-N 3.25Å; G3413-E3416 PolarHBondContact O-N 3.22Å; E3416-Y3418 VanDerWaalsContact C-N 3.31Å; E3416-Y3418 PolarHBondContact O-N 3.29Å; E3416-L3419 WeakPolarHBondContact O-CB 3.43Å; E3416-L3419 PolarHBondContact O-N 2.95Å; E3416-L3419 VanDerWaalsContact O-N 3.1Å; E3416-I3420 WeakPolarHBondContact O-CD1 3.42Å; E3416-I3420 VanDerWaalsContact O-CG1 3.25Å; E3416-I3420 WeakPolarHBondContact O-CG1 3.44Å; E3416-I3420 PolarHBondContact O-N 3.12Å |
| 3417 | L | 90.8 | Very high | 83.4 | Confident | 23.6667 Ų | 23.6667 | 39.9 Ų | 39.9 | 12% | 0.124 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.9 | -45.3 | 172.8 | -73 | 176.9 | 0 | 0 | 0 | 112.1 | Y3395 G3413 L3419 I3420 E3421 E3456 L3459 | Y3395-L3417 HydrophobicContact CD1-CD2 4.16Å; Y3395-L3417 HydrophobicContact CD2-CD1 4.32Å; Y3395-L3417 HydrophobicContact CD2-CD2 3.92Å; Y3395-L3417 HydrophobicContact CD2-CG 4.01Å; Y3395-L3417 HydrophobicContact CE1-CD2 4.06Å; Y3395-L3417 HydrophobicContact CE1-CG 4.3Å; Y3395-L3417 HydrophobicContact CE2-CD1 3.83Å; Y3395-L3417 HydrophobicContact CE2-CD2 3.89Å; Y3395-L3417 HydrophobicContact CE2-CG 3.81Å; Y3395-L3417 HydrophobicContact CG-CD2 4.37Å; G3413-L3417 WeakPolarHBondContact O-CG 3.38Å; G3413-L3417 PolarHBondContact O-N 3.04Å; L3417-L3419 VanDerWaalsContact C-N 3.32Å; L3417-L3419 PolarHBondContact O-N 3.46Å; L3417-I3420 PolarHBondContact O-N 3.06Å; L3417-E3421 WeakPolarHBondContact O-CB 3.36Å; L3417-E3421 PolarHBondContact O-N 3.24Å; L3417-E3456 HydrophobicContact CD1-CG 4.38Å; L3417-E3456 HydrophobicContact CD2-CB 4.49Å; L3417-E3456 HydrophobicContact CD2-CG 3.95Å; L3417-L3459 HydrophobicContact CD2-CD1 3.66Å; L3417-L3459 HydrophobicContact CD2-CG 4.3Å |
| 3418 | Y | 92.1 | Very high | 85.3 | Confident | 30 Ų | 30 | 32.7 Ų | 32.7 | 12% | 0.118 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.5 | -29.5 | 178.1 | -177.2 | -100.9 | 0 | 0 | 0 | 112.9 | L3313 L3315 P3363 Q3414 A3415 E3416 A3422 | L3313-Y3418 WeakPolarHBondContact O-CE2 3.38Å; L3313-Y3418 PolarHBondContact O-OH 2.9Å; L3313-Y3418 VanDerWaalsContact O-OH 3.06Å; L3315-Y3418 HydrophobicContact CD1-CD2 4.2Å; L3315-Y3418 HydrophobicContact CD1-CE2 4.16Å; L3315-Y3418 HydrophobicContact CD2-CD2 4.34Å; L3315-Y3418 HydrophobicContact CD2-CE1 4.09Å; L3315-Y3418 HydrophobicContact CD2-CE2 3.63Å; L3315-Y3418 VanDerWaalsContact CD2-CZ 3.47Å; L3315-Y3418 WeakPolarHBondContact CD2-OH 3.38Å; L3315-Y3418 HydrophobicContact CG-CD2 4.18Å; L3315-Y3418 HydrophobicContact CG-CE2 3.64Å; P3363-Y3418 HydrophobicContact CB-CD1 3.7Å; P3363-Y3418 HydrophobicContact CB-CE1 3.66Å; P3363-Y3418 HydrophobicContact CG-CD1 3.8Å; P3363-Y3418 HydrophobicContact CG-CE1 4.07Å; Q3414-Y3418 VanDerWaalsContact O-CB 3.29Å; Q3414-Y3418 WeakPolarHBondContact O-CB 3.47Å; Q3414-Y3418 PolarHBondContact O-N 3.25Å; Q3414-Y3418 VanDerWaalsContact O-N 3.15Å; A3415-Y3418 PolarHBondContact O-N 3.23Å; E3416-Y3418 VanDerWaalsContact C-N 3.31Å; E3416-Y3418 PolarHBondContact O-N 3.29Å; Y3418-A3422 WeakPolarHBondContact O-CB 3.25Å; Y3418-A3422 PolarHBondContact O-N 2.96Å; Y3418-A3422 VanDerWaalsContact O-N 3.15Å |
| 3419 | L | 94.8 | Very high | 87.2 | Confident | 5.66667 Ų | 5.66667 | 28.1 Ų | 28.1 | 3% | 0.03 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -71.8 | -43.9 | 170.8 | 176.8 | 58.6 | 0 | 0 | 0 | 111.9 | Q3362 P3363 I3366 I3387 A3391 A3415 E3416 L3417 A3422 I3423 | Q3362-L3419 HydrophobicContact CG-CD1 4.16Å; P3363-L3419 HydrophobicContact CB-CD1 4.44Å; P3363-L3419 HydrophobicContact CG-CB 4.03Å; P3363-L3419 HydrophobicContact CG-CD1 3.96Å; I3366-L3419 HydrophobicContact CD1-CD1 3.68Å; I3387-L3419 HydrophobicContact CG2-CD1 4.47Å; I3387-L3419 HydrophobicContact CG2-CD2 4.13Å; I3387-L3419 HydrophobicContact CG2-CG 4.49Å; A3391-L3419 HydrophobicContact CB-CD2 4.1Å; A3391-L3419 HydrophobicContact CB-CG 4.43Å; A3415-L3419 WeakPolarHBondContact O-CB 3.48Å; A3415-L3419 PolarHBondContact O-N 3.31Å; E3416-L3419 WeakPolarHBondContact O-CB 3.43Å; E3416-L3419 PolarHBondContact O-N 2.95Å; E3416-L3419 VanDerWaalsContact O-N 3.1Å; L3417-L3419 VanDerWaalsContact C-N 3.32Å; L3417-L3419 PolarHBondContact O-N 3.46Å; L3419-A3422 PolarHBondContact O-N 3.15Å; L3419-I3423 HydrophobicContact CD1-CD1 4.09Å; L3419-I3423 HydrophobicContact CD1-CG1 4.42Å; L3419-I3423 HydrophobicContact CG-CD1 4.1Å; L3419-I3423 VanDerWaalsContact O-CG1 3.31Å; L3419-I3423 WeakPolarHBondContact O-CG1 3.39Å; L3419-I3423 PolarHBondContact O-N 3.15Å |
| 3420 | I | 95 | Very high | 88.7 | Confident | 0.666667 Ų | 0.666667 | 26.8 Ų | 26.8 | 0% | 0.003 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.2 | -48.2 | 176.5 | -65.9 | 158.2 | 0 | 0 | 0 | 109.9 | M3388 A3391 L3392 E3416 L3417 A3422 I3423 I3424 L3459 | M3388-I3420 HydrophobicContact CG-CG1 4.34Å; M3388-I3420 HydrophobicContact CG-CG2 4.13Å; M3388-I3420 HydrophobicContact SD-CG2 4.45Å; A3391-I3420 HydrophobicContact CB-CD1 4.07Å; A3391-I3420 HydrophobicContact CB-CG1 3.7Å; L3392-I3420 HydrophobicContact CB-CD1 4.17Å; L3392-I3420 HydrophobicContact CD1-CD1 4.21Å; L3392-I3420 HydrophobicContact CD2-CD1 3.68Å; L3392-I3420 HydrophobicContact CD2-CG1 4.45Å; L3392-I3420 HydrophobicContact CG-CD1 3.79Å; L3392-I3420 HydrophobicContact CG-CG1 4.25Å; E3416-I3420 WeakPolarHBondContact O-CD1 3.42Å; E3416-I3420 VanDerWaalsContact O-CG1 3.25Å; E3416-I3420 WeakPolarHBondContact O-CG1 3.44Å; E3416-I3420 PolarHBondContact O-N 3.12Å; L3417-I3420 PolarHBondContact O-N 3.06Å; I3420-A3422 VanDerWaalsContact C-N 3.32Å; I3420-A3422 PolarHBondContact O-N 3.15Å; I3420-I3423 PolarHBondContact O-N 3.19Å; I3420-I3423 VanDerWaalsContact O-N 3.14Å; I3420-I3424 HydrophobicContact CG2-CD1 3.71Å; I3420-I3424 HydrophobicContact CG2-CG1 4.46Å; I3420-I3424 WeakPolarHBondContact O-CD1 3.35Å; I3420-I3424 VanDerWaalsContact O-CG1 3.25Å; I3420-I3424 WeakPolarHBondContact O-CG1 3.41Å; I3420-I3424 PolarHBondContact O-N 3.14Å; I3420-L3459 HydrophobicContact CB-CD2 4.25Å; I3420-L3459 HydrophobicContact CG2-CD1 4.02Å; I3420-L3459 HydrophobicContact CG2-CD2 3.87Å |
| 3421 | E | 95.4 | Very high | 90.1 | Very high | 39.6667 Ų | 39.6667 | 23.8 Ų | 23.8 | 19% | 0.185 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.7 | -45.3 | 176.7 | -165.2 | -178.4 | 148.3 | 0 | 0 | 111.9 | L3315 L3417 I3423 I3424 I3425 S3458 L3459 A3462 | L3315-E3421 HydrophobicContact CD1-CB 3.78Å; L3315-E3421 HydrophobicContact CD1-CG 3.69Å; L3417-E3421 WeakPolarHBondContact O-CB 3.36Å; L3417-E3421 PolarHBondContact O-N 3.24Å; E3421-I3423 VanDerWaalsContact C-N 3.34Å; E3421-I3423 PolarHBondContact O-N 3.06Å; E3421-I3424 PolarHBondContact O-N 3.25Å; E3421-I3425 HydrophobicContact CG-CD1 4.16Å; E3421-I3425 WeakPolarHBondContact O-CG1 3.37Å; E3421-I3425 PolarHBondContact O-N 3.07Å; E3421-S3458 WeakPolarHBondContact OE2-CB 3.35Å; E3421-S3458 PolarHBondContact OE2-OG 3.21Å; E3421-L3459 HydrophobicContact CB-CD2 3.79Å; E3421-L3459 HydrophobicContact CG-CD2 4.37Å; E3421-A3462 HydrophobicContact CG-CB 4.21Å |
| 3422 | A | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.4 | -39.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | L3315 P3363 I3366 I3367 Y3418 L3419 I3420 C3426 | L3315-A3422 HydrophobicContact CD1-CB 4.11Å; L3315-A3422 HydrophobicContact CD2-CB 4.08Å; P3363-A3422 HydrophobicContact CB-CB 3.78Å; P3363-A3422 WeakPolarHBondContact O-CB 3.41Å; I3366-A3422 HydrophobicContact CG2-CB 4.32Å; I3366-A3422 WeakPolarHBondContact CG2-O 3.38Å; I3367-A3422 HydrophobicContact CD1-CB 4.15Å; I3367-A3422 HydrophobicContact CG1-CB 4.08Å; Y3418-A3422 WeakPolarHBondContact O-CB 3.25Å; Y3418-A3422 PolarHBondContact O-N 2.96Å; Y3418-A3422 VanDerWaalsContact O-N 3.15Å; L3419-A3422 PolarHBondContact O-N 3.15Å; I3420-A3422 VanDerWaalsContact C-N 3.32Å; I3420-A3422 PolarHBondContact O-N 3.15Å; A3422-C3426 VanDerWaalsContact O-CB 3.23Å; A3422-C3426 WeakPolarHBondContact O-CB 3.39Å; A3422-C3426 PolarHBondContact O-N 2.88Å |
| 3423 | I | 96.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.7 | -41.7 | 175.8 | -67.7 | 162.9 | 0 | 0 | 0 | 110.9 | I3366 L3384 I3387 M3388 L3419 I3420 E3421 C3426 L3427 | I3366-I3423 HydrophobicContact CD1-CD1 4.41Å; I3366-I3423 HydrophobicContact CD1-CG1 3.84Å; I3366-I3423 HydrophobicContact CG2-CG1 4.15Å; L3384-I3423 HydrophobicContact CB-CG2 4.19Å; I3387-I3423 HydrophobicContact CB-CD1 4.15Å; I3387-I3423 HydrophobicContact CG2-CD1 3.78Å; M3388-I3423 HydrophobicContact CB-CD1 3.93Å; M3388-I3423 HydrophobicContact CB-CG2 4.15Å; M3388-I3423 HydrophobicContact CG-CD1 4.49Å; M3388-I3423 HydrophobicContact CG-CG2 4.47Å; M3388-I3423 HydrophobicContact SD-CG2 4.18Å; L3419-I3423 HydrophobicContact CD1-CD1 4.09Å; L3419-I3423 HydrophobicContact CD1-CG1 4.42Å; L3419-I3423 HydrophobicContact CG-CD1 4.1Å; L3419-I3423 VanDerWaalsContact O-CG1 3.31Å; L3419-I3423 WeakPolarHBondContact O-CG1 3.39Å; L3419-I3423 PolarHBondContact O-N 3.15Å; I3420-I3423 PolarHBondContact O-N 3.19Å; I3420-I3423 VanDerWaalsContact O-N 3.14Å; E3421-I3423 VanDerWaalsContact C-N 3.34Å; E3421-I3423 PolarHBondContact O-N 3.06Å; I3423-C3426 WeakPolarHBondContact O-CB 3.4Å; I3423-C3426 PolarHBondContact O-N 3.16Å; I3423-L3427 HydrophobicContact CG2-CD1 3.8Å; I3423-L3427 HydrophobicContact CG2-CG 4.22Å; I3423-L3427 WeakPolarHBondContact O-CB 3.44Å; I3423-L3427 VanDerWaalsContact O-CG 3.3Å; I3423-L3427 WeakPolarHBondContact O-CG 3.3Å; I3423-L3427 PolarHBondContact O-N 3.26Å |
| 3424 | I | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.3 | -44.8 | -180 | -62.7 | 159.4 | 0 | 0 | 0 | 111.1 | M3388 I3420 E3421 C3426 L3427 T3428 I3451 L3459 A3462 L3466 | M3388-I3424 HydrophobicContact SD-CG1 4.25Å; I3420-I3424 HydrophobicContact CG2-CD1 3.71Å; I3420-I3424 HydrophobicContact CG2-CG1 4.46Å; I3420-I3424 WeakPolarHBondContact O-CD1 3.35Å; I3420-I3424 VanDerWaalsContact O-CG1 3.25Å; I3420-I3424 WeakPolarHBondContact O-CG1 3.41Å; I3420-I3424 PolarHBondContact O-N 3.14Å; E3421-I3424 PolarHBondContact O-N 3.25Å; I3424-C3426 VanDerWaalsContact C-N 3.34Å; I3424-C3426 PolarHBondContact O-N 3.16Å; I3424-L3427 PolarHBondContact O-N 3.24Å; I3424-T3428 WeakPolarHBondContact O-CB 3.39Å; I3424-T3428 PolarHBondContact O-N 3.2Å; I3424-T3428 PolarHBondContact O-OG1 3.33Å; I3424-I3451 HydrophobicContact CD1-CD1 3.65Å; I3424-I3451 HydrophobicContact CD1-CG1 4Å; I3424-I3451 HydrophobicContact CD1-CG2 3.73Å; I3424-I3451 HydrophobicContact CG1-CD1 3.62Å; I3424-I3451 HydrophobicContact CG1-CG1 4.44Å; I3424-I3451 HydrophobicContact CG2-CD1 4.36Å; I3424-L3459 HydrophobicContact CD1-CD2 4.11Å; I3424-A3462 HydrophobicContact CB-CB 4.14Å; I3424-A3462 HydrophobicContact CD1-CB 4.47Å; I3424-A3462 VanDerWaalsContact CG2-C 3.49Å; I3424-A3462 HydrophobicContact CG2-CB 3.73Å; I3424-A3462 WeakPolarHBondContact CG2-O 3.32Å; I3424-L3466 HydrophobicContact CG2-CB 3.99Å; I3424-L3466 HydrophobicContact CG2-CD2 4.23Å |
| 3425 | I | 95.9 | Very high | 93.2 | Very high | 23.3333 Ų | 23.3333 | 22.6 Ų | 22.6 | 12% | 0.12 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.8 | -44.4 | 175.6 | -66.6 | 166 | 0 | 0 | 0 | 110.4 | L3315 E3319 I3367 E3421 T3428 R3429 A3462 | L3315-I3425 HydrophobicContact CB-CD1 3.87Å; L3315-I3425 HydrophobicContact CD1-CD1 3.98Å; E3319-I3425 VanDerWaalsContact CD-CG2 3.48Å; E3319-I3425 HydrophobicContact CG-CG2 4.13Å; E3319-I3425 WeakPolarHBondContact OE2-CG2 3.48Å; I3367-I3425 HydrophobicContact CD1-CB 3.71Å; I3367-I3425 HydrophobicContact CD1-CD1 4.13Å; I3367-I3425 HydrophobicContact CD1-CG2 3.53Å; E3421-I3425 HydrophobicContact CG-CD1 4.16Å; E3421-I3425 WeakPolarHBondContact O-CG1 3.37Å; E3421-I3425 PolarHBondContact O-N 3.07Å; I3425-T3428 WeakPolarHBondContact O-CB 3.39Å; I3425-T3428 PolarHBondContact O-N 3.06Å; I3425-R3429 PolarHBondContact O-N 2.92Å; I3425-R3429 VanDerWaalsContact O-N 3.13Å; I3425-A3462 HydrophobicContact CG1-CB 4.43Å |
| 3426 | C | 96.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.8 | -50.6 | 176.5 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | I3366 A3422 I3423 I3424 T3428 R3429 L3430 | I3366-C3426 HydrophobicContact CG2-CB 3.47Å; I3366-C3426 VanDerWaalsContact CG2-CB 3.47Å; I3366-C3426 PolarHBondContact O-SG 3.19Å; A3422-C3426 VanDerWaalsContact O-CB 3.23Å; A3422-C3426 WeakPolarHBondContact O-CB 3.39Å; A3422-C3426 PolarHBondContact O-N 2.88Å; I3423-C3426 WeakPolarHBondContact O-CB 3.4Å; I3423-C3426 PolarHBondContact O-N 3.16Å; I3424-C3426 VanDerWaalsContact C-N 3.34Å; I3424-C3426 PolarHBondContact O-N 3.16Å; C3426-T3428 VanDerWaalsContact C-N 3.31Å; C3426-T3428 PolarHBondContact O-N 3.18Å; C3426-R3429 PolarHBondContact O-N 3.03Å; C3426-R3429 VanDerWaalsContact O-N 3.16Å; C3426-L3430 WeakPolarHBondContact O-CB 3.36Å; C3426-L3430 VanDerWaalsContact O-CG 3.24Å; C3426-L3430 WeakPolarHBondContact O-CG 3.4Å; C3426-L3430 PolarHBondContact O-N 3.29Å; C3426-L3430 WeakPolarHBondContact SG-CD1 3.37Å |
| 3427 | L | 95.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.6 | -40.1 | 176.1 | -72.6 | 171.5 | 0 | 0 | 0 | 112 | I3381 L3384 L3385 I3423 I3424 R3429 L3430 L3431 L3444 L3466 | I3381-L3427 HydrophobicContact CB-CD2 4.49Å; I3381-L3427 HydrophobicContact CD1-CD2 4.46Å; I3381-L3427 HydrophobicContact CG1-CD2 4.13Å; I3381-L3427 HydrophobicContact CG2-CD2 4.19Å; L3384-L3427 HydrophobicContact CB-CD2 4.35Å; L3384-L3427 HydrophobicContact CD1-CD2 3.84Å; L3384-L3427 HydrophobicContact CD1-CG 4.24Å; L3385-L3427 HydrophobicContact CD2-CD1 3.74Å; L3385-L3427 HydrophobicContact CG-CD1 4.47Å; I3423-L3427 HydrophobicContact CG2-CD1 3.8Å; I3423-L3427 HydrophobicContact CG2-CG 4.22Å; I3423-L3427 WeakPolarHBondContact O-CB 3.44Å; I3423-L3427 VanDerWaalsContact O-CG 3.3Å; I3423-L3427 WeakPolarHBondContact O-CG 3.3Å; I3423-L3427 PolarHBondContact O-N 3.26Å; I3424-L3427 PolarHBondContact O-N 3.24Å; L3427-R3429 VanDerWaalsContact C-N 3.3Å; L3427-R3429 PolarHBondContact O-N 3.22Å; L3427-L3430 PolarHBondContact O-N 3.14Å; L3427-L3431 VanDerWaalsContact O-CB 3.31Å; L3427-L3431 WeakPolarHBondContact O-CB 3.46Å; L3427-L3431 PolarHBondContact O-N 3.37Å; L3427-L3444 HydrophobicContact CD1-CD2 4.38Å; L3427-L3466 HydrophobicContact CB-CD1 4.24Å |
| 3428 | T | 95.9 | Very high | 92.8 | Very high | 21.6667 Ų | 21.6667 | 31 Ų | 31 | 13% | 0.133 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.8 | -43 | 176.7 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | I3424 I3425 C3426 A3465 L3466 Q3469 | I3424-T3428 WeakPolarHBondContact O-CB 3.39Å; I3424-T3428 PolarHBondContact O-N 3.2Å; I3424-T3428 PolarHBondContact O-OG1 3.33Å; I3425-T3428 WeakPolarHBondContact O-CB 3.39Å; I3425-T3428 PolarHBondContact O-N 3.06Å; C3426-T3428 VanDerWaalsContact C-N 3.31Å; C3426-T3428 PolarHBondContact O-N 3.18Å; T3428-A3465 HydrophobicContact CG2-CB 4.4Å; T3428-L3466 VanDerWaalsContact OG1-CA 3.28Å; T3428-L3466 WeakPolarHBondContact OG1-CA 3.37Å; T3428-L3466 WeakPolarHBondContact OG1-CB 3.42Å; T3428-L3466 PolarHBondContact OG1-N 3.07Å; T3428-Q3469 HydrophobicContact CG2-CB 3.8Å; T3428-Q3469 HydrophobicContact CG2-CG 4.29Å; T3428-Q3469 WeakPolarHBondContact O-CG 3.36Å |
| 3429 | R | 94.2 | Very high | 92.4 | Very high | 75 Ų | 75 | 36 Ų | 36 | 28% | 0.283 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -75.9 | -29.7 | 179.4 | -66.4 | -177.1 | 66.7 | 122 | 1.1 | 114.2 | E3319 D3323 G3370 C3371 I3425 C3426 L3427 P3432 | E3319-R3429 WeakPolarHBondContact OE1-CD 3.37Å; E3319-R3429 IonicContact OE1-CZ 2.79Å; E3319-R3429 IonicContact OE1-NH1 3.2Å; E3319-R3429 PolarHBondContact OE1-NH1 3.18Å; E3319-R3429 VanDerWaalsContact OE1-NH1 3.12Å; D3323-R3429 VanDerWaalsContact CG-NH2 3.31Å; D3323-R3429 IonicContact OD1-CZ 3.28Å; D3323-R3429 IonicContact OD1-NH1 2.71Å; D3323-R3429 PolarHBondContact OD1-NH1 3.14Å; D3323-R3429 IonicContact OD1-NH2 3.37Å; D3323-R3429 PolarHBondContact OD1-NH2 2.9Å; D3323-R3429 IonicContact OD2-CZ 3.08Å; D3323-R3429 IonicContact OD2-NH1 3.34Å; D3323-R3429 PolarHBondContact OD2-NH1 3.18Å; D3323-R3429 IonicContact OD2-NH2 3.19Å; D3323-R3429 PolarHBondContact OD2-NH2 3.21Å; D3323-R3429 VanDerWaalsContact OD2-NH2 3.12Å; G3370-R3429 WeakPolarHBondContact O-CB 3.41Å; G3370-R3429 PolarHBondContact O-NE 3.08Å; G3370-R3429 VanDerWaalsContact O-NE 3.16Å; C3371-R3429 VanDerWaalsContact SG-CZ 3.59Å; I3425-R3429 PolarHBondContact O-N 2.92Å; I3425-R3429 VanDerWaalsContact O-N 3.13Å; C3426-R3429 PolarHBondContact O-N 3.03Å; C3426-R3429 VanDerWaalsContact O-N 3.16Å; L3427-R3429 VanDerWaalsContact C-N 3.3Å; L3427-R3429 PolarHBondContact O-N 3.22Å; R3429-P3432 WeakPolarHBondContact O-CD 3.35Å |
| 3430 | L | 92 | Very high | 92.1 | Very high | 0.666667 Ų | 0.666667 | 36 Ų | 36 | 0% | 0.003 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -86.2 | -22.8 | -177.1 | -66.2 | 169.6 | 0 | 0 | 0 | 113.3 | C3373 F3376 L3384 C3426 L3427 P3432 L3433 L3434 | C3373-L3430 HydrophobicContact CB-CD2 4.03Å; F3376-L3430 HydrophobicContact CB-CD2 4.34Å; F3376-L3430 HydrophobicContact CD1-CB 4.23Å; F3376-L3430 HydrophobicContact CD1-CD1 3.94Å; F3376-L3430 HydrophobicContact CD2-CD1 3.8Å; F3376-L3430 HydrophobicContact CD2-CD2 3.96Å; F3376-L3430 HydrophobicContact CD2-CG 4.41Å; F3376-L3430 HydrophobicContact CE1-CD1 3.7Å; F3376-L3430 HydrophobicContact CE2-CD1 3.56Å; F3376-L3430 HydrophobicContact CE2-CD2 4.45Å; F3376-L3430 HydrophobicContact CG-CB 4.32Å; F3376-L3430 HydrophobicContact CG-CD1 3.98Å; F3376-L3430 HydrophobicContact CG-CD2 4.14Å; F3376-L3430 HydrophobicContact CG-CG 4.39Å; F3376-L3430 HydrophobicContact CZ-CD1 3.49Å; F3376-L3430 VanDerWaalsContact CZ-CD1 3.49Å; L3384-L3430 HydrophobicContact CD1-CD1 4.35Å; C3426-L3430 WeakPolarHBondContact O-CB 3.36Å; C3426-L3430 VanDerWaalsContact O-CG 3.24Å; C3426-L3430 WeakPolarHBondContact O-CG 3.4Å; C3426-L3430 PolarHBondContact O-N 3.29Å; C3426-L3430 WeakPolarHBondContact SG-CD1 3.37Å; L3427-L3430 PolarHBondContact O-N 3.14Å; L3430-P3432 VanDerWaalsContact C-CD 3.5Å; L3430-L3433 HydrophobicContact CD2-CD1 4.03Å; L3430-L3433 WeakPolarHBondContact O-CA 3.41Å; L3430-L3433 VanDerWaalsContact O-CB 3.3Å; L3430-L3433 WeakPolarHBondContact O-CB 3.41Å; L3430-L3433 PolarHBondContact O-N 3.11Å; L3430-L3434 WeakPolarHBondContact O-CD1 3.43Å |
| 3431 | L | 92.3 | Very high | 91.9 | Very high | 1.66667 Ų | 1.66667 | 36.2 Ų | 36.2 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -54.4 | -39.9 | -177.8 | -174.4 | 53.8 | 0 | 0 | 0 | 114.7 | L3427 L3433 L3434 H3441 L3444 L3466 N3470 T3473 | L3427-L3431 VanDerWaalsContact O-CB 3.31Å; L3427-L3431 WeakPolarHBondContact O-CB 3.46Å; L3427-L3431 PolarHBondContact O-N 3.37Å; L3431-L3433 PolarHBondContact O-N 2.95Å; L3431-L3434 HydrophobicContact CD1-CD1 3.81Å; L3431-L3434 PolarHBondContact O-N 3.15Å; L3431-H3441 VanDerWaalsContact CD1-ND1 3.29Å; L3431-H3441 WeakPolarHBondContact CD1-ND1 3.28Å; L3431-L3444 HydrophobicContact CD1-CD1 3.65Å; L3431-L3444 HydrophobicContact CD2-CD1 4.41Å; L3431-L3466 HydrophobicContact CD2-CD1 4.31Å; L3431-N3470 HydrophobicContact CD2-CB 3.71Å; L3431-T3473 HydrophobicContact CG-CG2 4.5Å |
| 3432 | P | 92 | Very high | 91.8 | Very high | 62 Ų | 62 | 37.6 Ų | 37.6 | 40% | 0.403 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -73.1 | -4.7 | 175.1 | -17.6 | 33.9 | 0 | 0 | 0 | 114.9 | R3429 L3430 Q3469 | R3429-P3432 WeakPolarHBondContact O-CD 3.35Å; L3430-P3432 VanDerWaalsContact C-CD 3.5Å; P3432-Q3469 HydrophobicContact CG-CG 4.05Å |
| 3433 | L | 90.8 | Very high | 91.5 | Very high | 74.3333 Ų | 74.3333 | 38.5 Ų | 38.5 | 39% | 0.389 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -96.7 | -2.3 | 178.1 | -53.9 | -179.8 | 0 | 0 | 0 | 113 | C3373 L3430 L3431 | C3373-L3433 VanDerWaalsContact O-CD1 3.25Å; C3373-L3433 WeakPolarHBondContact O-CD1 3.27Å; L3430-L3433 HydrophobicContact CD2-CD1 4.03Å; L3430-L3433 WeakPolarHBondContact O-CA 3.41Å; L3430-L3433 VanDerWaalsContact O-CB 3.3Å; L3430-L3433 WeakPolarHBondContact O-CB 3.41Å; L3430-L3433 PolarHBondContact O-N 3.11Å; L3431-L3433 PolarHBondContact O-N 2.95Å |
| 3434 | L | 90.2 | Very high | 91.4 | Very high | 17 Ų | 17 | 38.6 Ų | 38.6 | 9% | 0.089 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -80.6 | 153.9 | 177.4 | -77.9 | 142.5 | 0 | 0 | 0 | 112 | F3376 I3381 L3430 L3431 T3440 | F3376-L3434 HydrophobicContact CB-CD1 4.1Å; F3376-L3434 HydrophobicContact CD1-CD1 4.31Å; I3381-L3434 HydrophobicContact CD1-CD1 3.6Å; I3381-L3434 HydrophobicContact CD1-CD2 3.54Å; I3381-L3434 HydrophobicContact CD1-CG 4.07Å; I3381-L3434 HydrophobicContact CG1-CD2 4.39Å; L3430-L3434 WeakPolarHBondContact O-CD1 3.43Å; L3431-L3434 HydrophobicContact CD1-CD1 3.81Å; L3431-L3434 PolarHBondContact O-N 3.15Å; L3434-T3440 VanDerWaalsContact CD1-OG1 3.27Å; L3434-T3440 WeakPolarHBondContact CD1-OG1 3.42Å; L3434-T3440 VanDerWaalsContact CD2-OG1 3.23Å; L3434-T3440 WeakPolarHBondContact CD2-OG1 3.36Å |
| 3435 | P | 88 | Confident | 91.3 | Very high | 62.6667 Ų | 62.6667 | 38.6 Ų | 38.6 | 41% | 0.407 | 21% | 0.21 | S | C | . | . | trans | -55.2 | 146 | 166.7 | -21.1 | 33.1 | 0 | 0 | 0 | 111.7 | D3437 S3438 H3441 | P3435-D3437 WeakPolarHBondContact CB-OD1 3.33Å; P3435-D3437 PolarHBondContact O-N 3.14Å; P3435-S3438 WeakPolarHBondContact O-CB 3.39Å; P3435-S3438 PolarHBondContact O-N 3.07Å; P3435-H3441 PolarHBondContact O-NE2 2.96Å | ||
| 3436 | S | 85.6 | Confident | 91.2 | Very high | 85.3333 Ų | 85.3333 | 37.7 Ų | 37.7 | 60% | 0.597 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -18 | 179.4 | 48.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 3437 | D | 84.7 | Confident | 91.1 | Very high | 135.333 Ų | 135.333 | 38.4 Ų | 38.4 | 72% | 0.724 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 0 | 175.6 | 56.9 | -45.1 | 0 | 0 | 0 | 114 | P3435 E3439 | P3435-D3437 WeakPolarHBondContact CB-OD1 3.33Å; P3435-D3437 PolarHBondContact O-N 3.14Å; D3437-E3439 PolarHBondContact O-N 3.38Å |
| 3438 | S | 88 | Confident | 91.1 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | trans | -62.3 | 125.2 | 177.2 | 170.6 | 0 | 0 | 0 | 0 | 112 | D3378 P3435 T3440 H3441 | D3378-S3438 WeakPolarHBondContact OD1-CB 3.42Å; D3378-S3438 PolarHBondContact OD1-OG 3.16Å; P3435-S3438 WeakPolarHBondContact O-CB 3.39Å; P3435-S3438 PolarHBondContact O-N 3.07Å; S3438-T3440 PolarHBondContact O-N 2.76Å; S3438-T3440 VanDerWaalsContact O-N 3.07Å; S3438-T3440 WeakPolarHBondContact OG-CB 3.44Å; S3438-T3440 WeakPolarHBondContact OG-CG2 3.4Å; S3438-T3440 PolarHBondContact OG-N 3.17Å; S3438-T3440 VanDerWaalsContact OG-N 3.16Å; S3438-T3440 PolarHBondContact OG-OG1 2.74Å; S3438-H3441 PolarHBondContact O-CD2 2.98Å; S3438-H3441 VanDerWaalsContact O-CD2 3.26Å; S3438-H3441 PolarHBondContact O-N 2.92Å | ||
| 3439 | E | 84.8 | Confident | 91.1 | Very high | 136 Ų | 136 | 37.3 Ų | 37.3 | 64% | 0.636 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -15.9 | 174.3 | -61.2 | -171.8 | 152.8 | 0 | 0 | 113.1 | D3437 H3441 P3443 | D3437-E3439 PolarHBondContact O-N 3.38Å; E3439-H3441 VanDerWaalsContact C-N 3.34Å; E3439-H3441 PolarHBondContact O-N 3.2Å; E3439-P3443 WeakPolarHBondContact O-CD 3.43Å |
| 3440 | T | 88.7 | Confident | 91 | Very high | 5.33333 Ų | 5.33333 | 34.1 Ų | 34.1 | 3% | 0.033 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -18.4 | -173.8 | 72 | 0 | 0 | 0 | 0 | 114.4 | D3378 I3381 L3434 S3438 Q3442 P3443 L3444 L3957 | D3378-T3440 HydrophobicContact CB-CG2 3.91Å; D3378-T3440 VanDerWaalsContact OD1-CG2 3.3Å; D3378-T3440 WeakPolarHBondContact OD1-CG2 3.37Å; I3381-T3440 HydrophobicContact CG2-CG2 4.44Å; L3434-T3440 VanDerWaalsContact CD1-OG1 3.27Å; L3434-T3440 WeakPolarHBondContact CD1-OG1 3.42Å; L3434-T3440 VanDerWaalsContact CD2-OG1 3.23Å; L3434-T3440 WeakPolarHBondContact CD2-OG1 3.36Å; S3438-T3440 PolarHBondContact O-N 2.76Å; S3438-T3440 VanDerWaalsContact O-N 3.07Å; S3438-T3440 WeakPolarHBondContact OG-CB 3.44Å; S3438-T3440 WeakPolarHBondContact OG-CG2 3.4Å; S3438-T3440 PolarHBondContact OG-N 3.17Å; S3438-T3440 VanDerWaalsContact OG-N 3.16Å; S3438-T3440 PolarHBondContact OG-OG1 2.74Å; T3440-Q3442 VanDerWaalsContact C-N 3.33Å; T3440-Q3442 PolarHBondContact O-N 3.19Å; T3440-P3443 WeakPolarHBondContact O-CD 3.31Å; T3440-L3444 WeakPolarHBondContact O-CB 3.42Å; T3440-L3444 WeakPolarHBondContact O-CD1 3.49Å; T3440-L3444 WeakPolarHBondContact O-CG 3.43Å; T3440-L3444 PolarHBondContact O-N 3.13Å; T3440-L3957 HydrophobicContact CG2-CD2 3.32Å |
| 3441 | H | 91.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.019 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.2 | -38.1 | -178.9 | -69.2 | -71.7 | 0 | 0 | 0 | 112.8 | L3431 P3435 S3438 E3439 N3470 L3474 | L3431-H3441 VanDerWaalsContact CD1-ND1 3.29Å; L3431-H3441 WeakPolarHBondContact CD1-ND1 3.28Å; P3435-H3441 PolarHBondContact O-NE2 2.96Å; S3438-H3441 PolarHBondContact O-CD2 2.98Å; S3438-H3441 VanDerWaalsContact O-CD2 3.26Å; S3438-H3441 PolarHBondContact O-N 2.92Å; E3439-H3441 VanDerWaalsContact C-N 3.34Å; E3439-H3441 PolarHBondContact O-N 3.2Å; H3441-N3470 PolarHBondContact O-ND2 3.24Å; H3441-L3474 HydrophobicContact CB-CD2 3.74Å; H3441-L3474 HydrophobicContact CB-CG 4.37Å |
| 3442 | Q | 91.5 | Very high | 91.3 | Very high | 68.3333 Ų | 68.3333 | 34.2 Ų | 34.2 | 32% | 0.319 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -76.1 | -46.6 | -179.1 | -60 | 177.6 | 10.1 | 0 | 0 | 112.9 | T3440 L3444 F3445 I3488 C3492 | T3440-Q3442 VanDerWaalsContact C-N 3.33Å; T3440-Q3442 PolarHBondContact O-N 3.19Å; Q3442-L3444 VanDerWaalsContact C-N 3.26Å; Q3442-L3444 PolarHBondContact O-N 3.02Å; Q3442-F3445 WeakPolarHBondContact O-CB 3.36Å; Q3442-F3445 PolarHBondContact O-N 3.28Å; Q3442-I3488 HydrophobicContact CG-CG2 4.42Å; Q3442-C3492 HydrophobicContact CB-CB 4.14Å |
| 3443 | P | 91.6 | Very high | 91.3 | Very high | 19.3333 Ų | 19.3333 | 32 Ų | 32 | 13% | 0.126 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -51.4 | -38 | 169 | -32 | 38.2 | 0 | 0 | 0 | 114.7 | E3439 T3440 F3445 W3446 I3447 L3952 H3956 | E3439-P3443 WeakPolarHBondContact O-CD 3.43Å; T3440-P3443 WeakPolarHBondContact O-CD 3.31Å; P3443-F3445 VanDerWaalsContact C-N 3.29Å; P3443-F3445 PolarHBondContact O-N 3.09Å; P3443-W3446 PolarHBondContact O-N 3.34Å; P3443-W3446 VanDerWaalsContact O-N 3.12Å; P3443-I3447 HydrophobicContact CB-CD1 4.44Å; P3443-I3447 WeakPolarHBondContact O-CG1 3.27Å; P3443-I3447 PolarHBondContact O-N 3.2Å; P3443-L3952 HydrophobicContact CB-CD1 4.05Å; P3443-L3952 HydrophobicContact CB-CD2 4.24Å; P3443-L3952 HydrophobicContact CB-CG 4.38Å; P3443-H3956 HydrophobicContact CG-CB 4.41Å |
| 3444 | L | 93.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.5 | -26 | -177.8 | -78.2 | 168.7 | 0 | 0 | 0 | 114 | I3381 L3385 L3427 L3431 T3440 Q3442 I3447 A3448 | I3381-L3444 HydrophobicContact CD1-CD1 4.14Å; L3385-L3444 HydrophobicContact CD2-CD2 4.46Å; L3427-L3444 HydrophobicContact CD1-CD2 4.38Å; L3431-L3444 HydrophobicContact CD1-CD1 3.65Å; L3431-L3444 HydrophobicContact CD2-CD1 4.41Å; T3440-L3444 WeakPolarHBondContact O-CB 3.42Å; T3440-L3444 WeakPolarHBondContact O-CD1 3.49Å; T3440-L3444 WeakPolarHBondContact O-CG 3.43Å; T3440-L3444 PolarHBondContact O-N 3.13Å; Q3442-L3444 VanDerWaalsContact C-N 3.26Å; Q3442-L3444 PolarHBondContact O-N 3.02Å; L3444-I3447 HydrophobicContact CD2-CD1 4.03Å; L3444-A3448 WeakPolarHBondContact O-CB 3.38Å; L3444-A3448 PolarHBondContact O-N 3.06Å |
| 3445 | F | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.2 | -48.2 | 169.3 | 175.2 | -95.6 | 0 | 0 | 0 | 111.3 | Q3442 P3443 A3448 L3449 L3467 N3470 L3471 M3489 F3515 L3519 | Q3442-F3445 WeakPolarHBondContact O-CB 3.36Å; Q3442-F3445 PolarHBondContact O-N 3.28Å; P3443-F3445 VanDerWaalsContact C-N 3.29Å; P3443-F3445 PolarHBondContact O-N 3.09Å; F3445-A3448 WeakPolarHBondContact O-CB 3.37Å; F3445-A3448 PolarHBondContact O-N 3.16Å; F3445-L3449 HydrophobicContact CD1-CD1 3.98Å; F3445-L3449 HydrophobicContact CE1-CD1 3.43Å; F3445-L3449 VanDerWaalsContact CE1-CD1 3.43Å; F3445-L3449 HydrophobicContact CE1-CD2 4.32Å; F3445-L3449 HydrophobicContact CZ-CD1 3.78Å; F3445-L3449 WeakPolarHBondContact O-CB 3.4Å; F3445-L3449 PolarHBondContact O-N 3.01Å; F3445-L3449 VanDerWaalsContact O-N 3.11Å; F3445-L3467 HydrophobicContact CD2-CD1 3.52Å; F3445-L3467 HydrophobicContact CE2-CD1 3.62Å; F3445-L3467 HydrophobicContact CG-CD1 4.46Å; F3445-N3470 WeakPolarHBondContact CB-OD1 3.42Å; F3445-L3471 HydrophobicContact CD2-CD2 4.2Å; F3445-L3471 HydrophobicContact CE2-CD2 4.07Å; F3445-M3489 HydrophobicContact CB-CE 3.78Å; F3445-M3489 HydrophobicContact CB-SD 3.8Å; F3445-M3489 HydrophobicContact CD1-CB 4.31Å; F3445-M3489 HydrophobicContact CD1-CE 4.23Å; F3445-M3489 HydrophobicContact CD1-CG 3.89Å; F3445-M3489 HydrophobicContact CD1-SD 3.57Å; F3445-M3489 VanDerWaalsContact CD1-SD 3.55Å; F3445-M3489 HydrophobicContact CD2-CE 3.89Å; F3445-M3489 HydrophobicContact CD2-SD 4.31Å; F3445-M3489 HydrophobicContact CE1-CB 4.13Å; F3445-M3489 HydrophobicContact CE1-CG 3.88Å; F3445-M3489 HydrophobicContact CE1-SD 4.2Å; F3445-M3489 HydrophobicContact CG-CE 3.71Å; F3445-M3489 HydrophobicContact CG-CG 4.29Å; F3445-M3489 HydrophobicContact CG-SD 3.64Å; F3445-M3489 HydrophobicContact CZ-CG 4.29Å; F3445-F3515 HydrophobicContact CE1-CE2 4.41Å; F3445-F3515 HydrophobicContact CE1-CZ 4.21Å; F3445-F3515 AromaticContact CZ-CZ 3.95Å; F3445-F3515 HydrophobicContact CZ-CZ 4.03Å; F3445-L3519 HydrophobicContact CZ-CD1 4.12Å; F3445-L3519 HydrophobicContact CZ-CD2 4.18Å |
| 3446 | W | 94 | Very high | 91.2 | Very high | 5.66667 Ų | 5.66667 | 30.3 Ų | 30.3 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72.1 | -33.7 | -179.3 | -68.8 | 116.3 | 0 | 0 | 0 | 112.9 | P3443 L3449 G3450 M3489 R3493 Y3500 F3511 F3515 F3948 | P3443-W3446 PolarHBondContact O-N 3.34Å; P3443-W3446 VanDerWaalsContact O-N 3.12Å; W3446-L3449 HydrophobicContact CE3-CB 4.49Å; W3446-L3449 HydrophobicContact CE3-CD1 3.67Å; W3446-L3449 HydrophobicContact CE3-CD2 3.73Å; W3446-L3449 HydrophobicContact CH2-CD1 4.44Å; W3446-L3449 HydrophobicContact CZ3-CD1 3.67Å; W3446-L3449 HydrophobicContact CZ3-CD2 3.53Å; W3446-L3449 PolarHBondContact O-N 2.98Å; W3446-G3450 PolarHBondContact O-N 3.36Å; W3446-M3489 HydrophobicContact CZ2-CB 3.79Å; W3446-M3489 VanDerWaalsContact CZ2-O 3.31Å; W3446-M3489 WeakPolarHBondContact CZ2-O 3.41Å; W3446-M3489 PolarHBondContact NE1-O 3.09Å; W3446-M3489 VanDerWaalsContact NE1-O 3.12Å; W3446-R3493 HydrophobicContact CD2-CG 4.15Å; W3446-R3493 VanDerWaalsContact CE2-CG 3.48Å; W3446-R3493 HydrophobicContact CH2-CG 4.26Å; W3446-R3493 HydrophobicContact CZ2-CB 4.16Å; W3446-R3493 VanDerWaalsContact CZ2-CD 3.45Å; W3446-R3493 HydrophobicContact CZ2-CG 3.67Å; W3446-R3493 VanDerWaalsContact CZ2-CG 3.49Å; W3446-R3493 VanDerWaalsContact CZ2-NE 3.26Å; W3446-R3493 VanDerWaalsContact CZ3-CZ 3.48Å; W3446-R3493 VanDerWaalsContact CZ3-NE 3.29Å; W3446-R3493 VanDerWaalsContact CZ3-NH2 3.29Å; W3446-Y3500 HydrophobicContact CB-CE1 4.05Å; W3446-Y3500 WeakPolarHBondContact CB-OH 3.38Å; W3446-Y3500 VanDerWaalsContact CD1-OH 3.27Å; W3446-Y3500 AromaticContact CD2-CE1 3.95Å; W3446-Y3500 HydrophobicContact CD2-CE1 3.95Å; W3446-Y3500 AromaticContact CD2-CZ 3.97Å; W3446-Y3500 HydrophobicContact CE3-CD1 4.47Å; W3446-Y3500 AromaticContact CE3-CE1 3.98Å; W3446-Y3500 HydrophobicContact CE3-CE1 4.1Å; W3446-Y3500 AromaticContact CG-CE1 3.87Å; W3446-Y3500 HydrophobicContact CG-CE1 3.87Å; W3446-Y3500 AromaticContact CG-CZ 3.77Å; W3446-Y3500 VanDerWaalsContact CG-OH 3.27Å; W3446-F3511 HydrophobicContact CH2-CB 4.4Å; W3446-F3511 AromaticContact CH2-CD1 3.81Å; W3446-F3511 HydrophobicContact CH2-CD1 3.81Å; W3446-F3511 HydrophobicContact CH2-CD2 4.38Å; W3446-F3511 AromaticContact CH2-CE1 3.98Å; W3446-F3511 HydrophobicContact CH2-CE1 4.19Å; W3446-F3511 AromaticContact CH2-CG 3.93Å; W3446-F3511 HydrophobicContact CH2-CG 4.01Å; W3446-F3511 AromaticContact CZ3-CD1 3.95Å; W3446-F3511 HydrophobicContact CZ3-CD1 3.97Å; W3446-F3511 HydrophobicContact CZ3-CD2 4.22Å; W3446-F3511 AromaticContact CZ3-CE1 3.8Å; W3446-F3511 HydrophobicContact CZ3-CE1 3.96Å; W3446-F3511 HydrophobicContact CZ3-CE2 4.2Å; W3446-F3511 HydrophobicContact CZ3-CG 4.1Å; W3446-F3511 AromaticContact CZ3-CZ 3.9Å; W3446-F3511 HydrophobicContact CZ3-CZ 4.09Å; W3446-F3515 HydrophobicContact CH2-CD2 4.4Å; W3446-F3515 AromaticContact CH2-CE2 3.79Å; W3446-F3515 HydrophobicContact CH2-CE2 3.87Å; W3446-F3515 HydrophobicContact CZ2-CE2 4.11Å; W3446-F3948 HydrophobicContact CB-CZ 4.1Å |
| 3447 | I | 94.4 | Very high | 91.5 | Very high | 14.3333 Ų | 14.3333 | 29 Ų | 29 | 7% | 0.074 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.7 | -46 | 171.5 | -68.7 | 163.2 | 0 | 0 | 0 | 110.5 | L3385 M3388 P3443 L3444 L3449 G3450 I3451 F3945 F3948 L3949 L3952 | L3385-I3447 HydrophobicContact CD1-CD1 3.76Å; L3385-I3447 HydrophobicContact CD2-CD1 3.93Å; L3385-I3447 HydrophobicContact CD2-CG2 4.31Å; M3388-I3447 HydrophobicContact CE-CG2 3.8Å; P3443-I3447 HydrophobicContact CB-CD1 4.44Å; P3443-I3447 WeakPolarHBondContact O-CG1 3.27Å; P3443-I3447 PolarHBondContact O-N 3.2Å; L3444-I3447 HydrophobicContact CD2-CD1 4.03Å; I3447-L3449 VanDerWaalsContact C-N 3.3Å; I3447-L3449 PolarHBondContact O-N 3.02Å; I3447-G3450 PolarHBondContact O-N 3.2Å; I3447-I3451 HydrophobicContact CG2-CD1 3.96Å; I3447-I3451 WeakPolarHBondContact O-CD1 3.32Å; I3447-I3451 VanDerWaalsContact O-CG1 3.31Å; I3447-I3451 WeakPolarHBondContact O-CG1 3.29Å; I3447-I3451 PolarHBondContact O-N 3.09Å; I3447-F3945 HydrophobicContact CG2-CZ 4.39Å; I3447-F3948 HydrophobicContact CG1-CE1 4.2Å; I3447-L3949 HydrophobicContact CD1-CD2 4.3Å; I3447-L3949 HydrophobicContact CG1-CD2 3.9Å; I3447-L3949 HydrophobicContact CG2-CD2 4.41Å; I3447-L3952 HydrophobicContact CD1-CD1 4.11Å; I3447-L3952 HydrophobicContact CD1-CD2 4.06Å; I3447-L3952 HydrophobicContact CG1-CD1 4.13Å |
| 3448 | A | 96 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.3 | -40.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L3444 F3445 I3451 L3452 L3466 L3467 | L3444-A3448 WeakPolarHBondContact O-CB 3.38Å; L3444-A3448 PolarHBondContact O-N 3.06Å; F3445-A3448 WeakPolarHBondContact O-CB 3.37Å; F3445-A3448 PolarHBondContact O-N 3.16Å; A3448-I3451 WeakPolarHBondContact O-CB 3.41Å; A3448-I3451 PolarHBondContact O-N 3.19Å; A3448-L3452 WeakPolarHBondContact O-CG 3.39Å; A3448-L3452 PolarHBondContact O-N 2.98Å; A3448-L3466 HydrophobicContact CB-CB 4.22Å; A3448-L3466 HydrophobicContact CB-CD2 3.97Å; A3448-L3466 HydrophobicContact CB-CG 3.99Å; A3448-L3467 HydrophobicContact CB-CB 3.96Å; A3448-L3467 HydrophobicContact CB-CD1 4.45Å |
| 3449 | L | 94.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.2 | -40.8 | 175.6 | -103.3 | 139.4 | 0 | 0 | 0 | 113.2 | F3445 W3446 I3447 I3451 L3452 Q3453 L3467 F3511 L3519 H3522 | F3445-L3449 HydrophobicContact CD1-CD1 3.98Å; F3445-L3449 HydrophobicContact CE1-CD1 3.43Å; F3445-L3449 VanDerWaalsContact CE1-CD1 3.43Å; F3445-L3449 HydrophobicContact CE1-CD2 4.32Å; F3445-L3449 HydrophobicContact CZ-CD1 3.78Å; F3445-L3449 WeakPolarHBondContact O-CB 3.4Å; F3445-L3449 PolarHBondContact O-N 3.01Å; F3445-L3449 VanDerWaalsContact O-N 3.11Å; W3446-L3449 HydrophobicContact CE3-CB 4.49Å; W3446-L3449 HydrophobicContact CE3-CD1 3.67Å; W3446-L3449 HydrophobicContact CE3-CD2 3.73Å; W3446-L3449 HydrophobicContact CH2-CD1 4.44Å; W3446-L3449 HydrophobicContact CZ3-CD1 3.67Å; W3446-L3449 HydrophobicContact CZ3-CD2 3.53Å; W3446-L3449 PolarHBondContact O-N 2.98Å; I3447-L3449 VanDerWaalsContact C-N 3.3Å; I3447-L3449 PolarHBondContact O-N 3.02Å; L3449-I3451 VanDerWaalsContact C-N 3.3Å; L3449-I3451 PolarHBondContact O-N 3.19Å; L3449-L3452 HydrophobicContact CD1-CD1 4.08Å; L3449-L3452 HydrophobicContact CD2-CD1 4.3Å; L3449-L3452 WeakPolarHBondContact O-CB 3.35Å; L3449-L3452 PolarHBondContact O-N 3.08Å; L3449-L3452 VanDerWaalsContact O-N 3.12Å; L3449-Q3453 WeakPolarHBondContact O-CG 3.47Å; L3449-Q3453 PolarHBondContact O-N 3.06Å; L3449-L3467 HydrophobicContact CD2-CD2 4.39Å; L3449-F3511 HydrophobicContact CD1-CE1 4.11Å; L3449-F3511 HydrophobicContact CD1-CZ 3.92Å; L3449-F3511 HydrophobicContact CD2-CE1 3.77Å; L3449-F3511 HydrophobicContact CD2-CE2 4.27Å; L3449-F3511 HydrophobicContact CD2-CZ 3.92Å; L3449-F3511 VanDerWaalsContact CD2-CZ 3.47Å; L3449-F3511 HydrophobicContact CG-CZ 4.4Å; L3449-L3519 HydrophobicContact CD1-CD1 4.19Å; L3449-L3519 HydrophobicContact CD2-CD1 3.93Å; L3449-H3522 HydrophobicContact CD1-CB 3.77Å; L3449-H3522 HydrophobicContact CD2-CB 4.04Å |
| 3450 | G | 93.5 | Very high | 92.6 | Very high | 7.66667 Ų | 7.66667 | 17.9 Ų | 17.9 | 8% | 0.079 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63 | -35 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | W3446 I3447 L3452 Q3453 | W3446-G3450 PolarHBondContact O-N 3.36Å; I3447-G3450 PolarHBondContact O-N 3.2Å; G3450-L3452 VanDerWaalsContact C-N 3.34Å; G3450-L3452 PolarHBondContact O-N 2.96Å; G3450-Q3453 WeakPolarHBondContact O-CB 3.38Å; G3450-Q3453 PolarHBondContact O-N 3.09Å; G3450-Q3453 VanDerWaalsContact O-N 3.14Å |
| 3451 | I | 94.7 | Very high | 92.9 | Very high | 2.66667 Ų | 2.66667 | 18.6 Ų | 18.6 | 1% | 0.014 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.7 | -42.8 | 172 | -68.6 | 155.9 | 0 | 0 | 0 | 111.3 | I3424 I3447 A3448 L3449 Q3453 L3454 L3459 L3466 F3945 | I3424-I3451 HydrophobicContact CD1-CD1 3.65Å; I3424-I3451 HydrophobicContact CD1-CG1 4Å; I3424-I3451 HydrophobicContact CD1-CG2 3.73Å; I3424-I3451 HydrophobicContact CG1-CD1 3.62Å; I3424-I3451 HydrophobicContact CG1-CG1 4.44Å; I3424-I3451 HydrophobicContact CG2-CD1 4.36Å; I3447-I3451 HydrophobicContact CG2-CD1 3.96Å; I3447-I3451 WeakPolarHBondContact O-CD1 3.32Å; I3447-I3451 VanDerWaalsContact O-CG1 3.31Å; I3447-I3451 WeakPolarHBondContact O-CG1 3.29Å; I3447-I3451 PolarHBondContact O-N 3.09Å; A3448-I3451 WeakPolarHBondContact O-CB 3.41Å; A3448-I3451 PolarHBondContact O-N 3.19Å; L3449-I3451 VanDerWaalsContact C-N 3.3Å; L3449-I3451 PolarHBondContact O-N 3.19Å; I3451-Q3453 PolarHBondContact O-N 3.25Å; I3451-Q3453 VanDerWaalsContact O-N 3.13Å; I3451-L3454 WeakPolarHBondContact O-CB 3.31Å; I3451-L3454 PolarHBondContact O-N 3.1Å; I3451-L3454 VanDerWaalsContact O-N 3.1Å; I3451-L3459 HydrophobicContact CG2-CB 4.14Å; I3451-L3459 VanDerWaalsContact CG2-O 3.25Å; I3451-L3459 WeakPolarHBondContact CG2-O 3.42Å; I3451-L3466 HydrophobicContact CD1-CD2 4.25Å; I3451-F3945 HydrophobicContact CG1-CE1 3.95Å; I3451-F3945 HydrophobicContact CG1-CZ 3.95Å |
| 3452 | L | 94.5 | Very high | 93.1 | Very high | 0.333333 Ų | 0.333333 | 18.8 Ų | 18.8 | 0% | 0.002 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.8 | -23.8 | 176.9 | -63.1 | 175.7 | 0 | 0 | 0 | 112.6 | A3448 L3449 G3450 L3454 Y3460 L3464 L3467 L3523 F3928 | A3448-L3452 WeakPolarHBondContact O-CG 3.39Å; A3448-L3452 PolarHBondContact O-N 2.98Å; L3449-L3452 HydrophobicContact CD1-CD1 4.08Å; L3449-L3452 HydrophobicContact CD2-CD1 4.3Å; L3449-L3452 WeakPolarHBondContact O-CB 3.35Å; L3449-L3452 PolarHBondContact O-N 3.08Å; L3449-L3452 VanDerWaalsContact O-N 3.12Å; G3450-L3452 VanDerWaalsContact C-N 3.34Å; G3450-L3452 PolarHBondContact O-N 2.96Å; L3452-L3454 VanDerWaalsContact C-N 3.33Å; L3452-L3454 PolarHBondContact O-N 3.46Å; L3452-Y3460 HydrophobicContact CB-CD2 4.16Å; L3452-Y3460 HydrophobicContact CB-CE2 4.07Å; L3452-Y3460 HydrophobicContact CD1-CE2 4.24Å; L3452-Y3460 HydrophobicContact CD2-CD1 4.12Å; L3452-Y3460 HydrophobicContact CD2-CD2 3.6Å; L3452-Y3460 HydrophobicContact CD2-CE1 4.13Å; L3452-Y3460 HydrophobicContact CD2-CE2 3.63Å; L3452-Y3460 HydrophobicContact CD2-CG 3.84Å; L3452-Y3460 WeakPolarHBondContact CD2-O 3.36Å; L3452-Y3460 HydrophobicContact CG-CD2 4.44Å; L3452-Y3460 HydrophobicContact CG-CE2 4.32Å; L3452-L3464 HydrophobicContact CD2-CB 4.13Å; L3452-L3467 HydrophobicContact CD1-CD2 4.1Å; L3452-L3523 HydrophobicContact CD1-CD2 4.45Å; L3452-F3928 WeakPolarHBondContact O-CZ 3.37Å |
| 3453 | Q | 92.7 | Very high | 93.4 | Very high | 17 Ų | 17 | 15.5 Ų | 15.5 | 8% | 0.079 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -15.5 | 178.7 | -65.1 | 172.8 | -5.3 | 0 | 0 | 114.1 | L3449 G3450 I3451 D3455 M3503 V3507 H3522 F3928 N3938 T3941 | L3449-Q3453 WeakPolarHBondContact O-CG 3.47Å; L3449-Q3453 PolarHBondContact O-N 3.06Å; G3450-Q3453 WeakPolarHBondContact O-CB 3.38Å; G3450-Q3453 PolarHBondContact O-N 3.09Å; G3450-Q3453 VanDerWaalsContact O-N 3.14Å; I3451-Q3453 PolarHBondContact O-N 3.25Å; I3451-Q3453 VanDerWaalsContact O-N 3.13Å; Q3453-D3455 VanDerWaalsContact C-N 3.26Å; Q3453-D3455 PolarHBondContact O-N 3.05Å; Q3453-M3503 PolarHBondContact OE1-SD 3.07Å; Q3453-M3503 VanDerWaalsContact OE1-SD 3.41Å; Q3453-V3507 HydrophobicContact CB-CG2 4.35Å; Q3453-V3507 HydrophobicContact CG-CG2 3.89Å; Q3453-H3522 WeakPolarHBondContact CG-NE2 3.2Å; Q3453-H3522 PolarHBondContact NE2-NE2 3.38Å; Q3453-F3928 HydrophobicContact CB-CE2 4.45Å; Q3453-F3928 HydrophobicContact CG-CE2 4.43Å; Q3453-N3938 PolarHBondContact O-ND2 3.13Å; Q3453-N3938 VanDerWaalsContact O-ND2 3.14Å; Q3453-T3941 HydrophobicContact CB-CG2 4.04Å |
| 3454 | L | 89.9 | Confident | 93.6 | Very high | 27.3333 Ų | 27.3333 | 14.6 Ų | 14.6 | 14% | 0.143 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -13.8 | -175.8 | -62.5 | 174.4 | 0 | 0 | 0 | 114.4 | L3392 I3451 L3452 E3456 L3459 A3942 F3945 | L3392-L3454 HydrophobicContact CD1-CD1 3.81Å; L3392-L3454 HydrophobicContact CD1-CD2 3.97Å; L3392-L3454 HydrophobicContact CD2-CD1 3.73Å; L3392-L3454 HydrophobicContact CD2-CD2 4.39Å; I3451-L3454 WeakPolarHBondContact O-CB 3.31Å; I3451-L3454 PolarHBondContact O-N 3.1Å; I3451-L3454 VanDerWaalsContact O-N 3.1Å; L3452-L3454 VanDerWaalsContact C-N 3.33Å; L3452-L3454 PolarHBondContact O-N 3.46Å; L3454-E3456 PolarHBondContact O-N 3.01Å; L3454-L3459 HydrophobicContact CD1-CD1 3.76Å; L3454-A3942 HydrophobicContact CD2-CB 3.98Å; L3454-F3945 HydrophobicContact CD1-CD1 4.34Å; L3454-F3945 HydrophobicContact CD1-CE1 4.4Å; L3454-F3945 HydrophobicContact CD2-CD1 4.19Å; L3454-F3945 HydrophobicContact CG-CD1 4.49Å |
| 3455 | D | 86.9 | Confident | 93.8 | Very high | 46.6667 Ų | 46.6667 | 15.3 Ų | 15.3 | 25% | 0.25 | 9% | 0.092 | C | C | . | . | trans | 59.9 | 12.8 | -178.4 | -150.5 | 27 | 0 | 0 | 0 | 116.3 | Q3453 K3525 F3932 S3933 N3938 | Q3453-D3455 VanDerWaalsContact C-N 3.26Å; Q3453-D3455 PolarHBondContact O-N 3.05Å; D3455-K3525 WeakPolarHBondContact OD1-CE 3.39Å; D3455-K3525 IonicContact OD1-NZ 3.22Å; D3455-K3525 PolarHBondContact OD1-NZ 3.23Å; D3455-K3525 IonicContact OD2-NZ 3.72Å; D3455-K3525 PolarHBondContact OD2-NZ 3.08Å; D3455-F3932 WeakPolarHBondContact OD1-CA 3.3Å; D3455-F3932 WeakPolarHBondContact OD1-CD1 3.45Å; D3455-S3933 WeakPolarHBondContact OD2-CB 3.47Å; D3455-S3933 PolarHBondContact OD2-N 3.21Å; D3455-S3933 PolarHBondContact OD2-OG 3.47Å; D3455-N3938 VanDerWaalsContact CB-ND2 3.33Å; D3455-N3938 WeakPolarHBondContact CB-ND2 3.4Å | ||
| 3456 | E | 90.3 | Very high | 93.9 | Very high | 43.3333 Ų | 43.3333 | 15.3 Ų | 15.3 | 20% | 0.202 | 9% | 0.092 | C | C | . | . | trans | -84.5 | 133.5 | 170.9 | -74.1 | -69.2 | 179.6 | 0 | 0 | 111.4 | Y3395 L3417 L3454 S3458 L3459 Y3460 | Y3395-E3456 WeakPolarHBondContact OH-CG 3.39Å; Y3395-E3456 PolarHBondContact OH-OE1 3.12Å; L3417-E3456 HydrophobicContact CD1-CG 4.38Å; L3417-E3456 HydrophobicContact CD2-CB 4.49Å; L3417-E3456 HydrophobicContact CD2-CG 3.95Å; L3454-E3456 PolarHBondContact O-N 3.01Å; E3456-S3458 PolarHBondContact O-N 3.36Å; E3456-L3459 HydrophobicContact CB-CB 4.02Å; E3456-L3459 HydrophobicContact CB-CD1 4.13Å; E3456-L3459 HydrophobicContact CB-CG 3.99Å; E3456-L3459 HydrophobicContact CG-CD1 4.3Å; E3456-L3459 PolarHBondContact O-N 3.27Å; E3456-Y3460 WeakPolarHBondContact O-CB 3.44Å; E3456-Y3460 PolarHBondContact O-N 3.33Å | ||
| 3457 | V | 91.6 | Very high | 94.1 | Very high | 59.3333 Ų | 59.3333 | 15 Ų | 15 | 36% | 0.36 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -63.1 | -51.4 | -168.4 | 177.9 | 0 | 0 | 0 | 0 | 112.4 | Y3460 A3461 H3529 P3530 F3932 | V3457-Y3460 PolarHBondContact O-N 2.99Å; V3457-A3461 PolarHBondContact O-N 3.08Å; V3457-H3529 WeakPolarHBondContact CG1-NE2 3.27Å; V3457-H3529 PolarHBondContact O-NE2 3.2Å; V3457-P3530 HydrophobicContact CG1-CG 3.71Å; V3457-F3932 HydrophobicContact CG2-CB 3.94Å; V3457-F3932 HydrophobicContact CG2-CD1 4.01Å; V3457-F3932 HydrophobicContact CG2-CG 3.89Å |
| 3458 | S | 91.1 | Very high | 94.2 | Very high | 45.3333 Ų | 45.3333 | 15.4 Ų | 15.4 | 32% | 0.317 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -71.5 | -36.7 | -178.4 | 67.9 | 0 | 0 | 0 | 0 | 112.3 | E3421 E3456 Y3460 A3461 A3462 | E3421-S3458 WeakPolarHBondContact OE2-CB 3.35Å; E3421-S3458 PolarHBondContact OE2-OG 3.21Å; E3456-S3458 PolarHBondContact O-N 3.36Å; S3458-Y3460 VanDerWaalsContact C-N 3.33Å; S3458-Y3460 PolarHBondContact O-N 3.12Å; S3458-A3461 PolarHBondContact O-N 3.16Å; S3458-A3462 WeakPolarHBondContact O-CB 3.41Å; S3458-A3462 PolarHBondContact O-N 3.34Å |
| 3459 | L | 94.2 | Very high | 94.3 | Very high | 0.666667 Ų | 0.666667 | 17.7 Ų | 17.7 | 0% | 0.003 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63 | -37.7 | 173.4 | -61.8 | -165.3 | 0 | 0 | 0 | 112 | L3417 I3420 E3421 I3424 I3451 L3454 E3456 A3461 A3462 G3463 | L3417-L3459 HydrophobicContact CD2-CD1 3.66Å; L3417-L3459 HydrophobicContact CD2-CG 4.3Å; I3420-L3459 HydrophobicContact CB-CD2 4.25Å; I3420-L3459 HydrophobicContact CG2-CD1 4.02Å; I3420-L3459 HydrophobicContact CG2-CD2 3.87Å; E3421-L3459 HydrophobicContact CB-CD2 3.79Å; E3421-L3459 HydrophobicContact CG-CD2 4.37Å; I3424-L3459 HydrophobicContact CD1-CD2 4.11Å; I3451-L3459 HydrophobicContact CG2-CB 4.14Å; I3451-L3459 VanDerWaalsContact CG2-O 3.25Å; I3451-L3459 WeakPolarHBondContact CG2-O 3.42Å; L3454-L3459 HydrophobicContact CD1-CD1 3.76Å; E3456-L3459 HydrophobicContact CB-CB 4.02Å; E3456-L3459 HydrophobicContact CB-CD1 4.13Å; E3456-L3459 HydrophobicContact CB-CG 3.99Å; E3456-L3459 HydrophobicContact CG-CD1 4.3Å; E3456-L3459 PolarHBondContact O-N 3.27Å; L3459-A3461 PolarHBondContact O-N 3.07Å; L3459-A3462 PolarHBondContact O-N 3.12Å; L3459-G3463 PolarHBondContact O-N 3.19Å |
| 3460 | Y | 95.6 | Very high | 94.3 | Very high | 4.33333 Ų | 4.33333 | 17.6 Ų | 17.6 | 2% | 0.017 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.7 | -44.2 | 173.6 | -171.1 | -78.1 | 0 | 0 | 0 | 111.3 | L3452 E3456 V3457 S3458 A3462 L3464 H3522 L3523 K3525 G3526 T3534 F3932 | L3452-Y3460 HydrophobicContact CB-CD2 4.16Å; L3452-Y3460 HydrophobicContact CB-CE2 4.07Å; L3452-Y3460 HydrophobicContact CD1-CE2 4.24Å; L3452-Y3460 HydrophobicContact CD2-CD1 4.12Å; L3452-Y3460 HydrophobicContact CD2-CD2 3.6Å; L3452-Y3460 HydrophobicContact CD2-CE1 4.13Å; L3452-Y3460 HydrophobicContact CD2-CE2 3.63Å; L3452-Y3460 HydrophobicContact CD2-CG 3.84Å; L3452-Y3460 WeakPolarHBondContact CD2-O 3.36Å; L3452-Y3460 HydrophobicContact CG-CD2 4.44Å; L3452-Y3460 HydrophobicContact CG-CE2 4.32Å; E3456-Y3460 WeakPolarHBondContact O-CB 3.44Å; E3456-Y3460 PolarHBondContact O-N 3.33Å; V3457-Y3460 PolarHBondContact O-N 2.99Å; S3458-Y3460 VanDerWaalsContact C-N 3.33Å; S3458-Y3460 PolarHBondContact O-N 3.12Å; Y3460-A3462 PolarHBondContact O-N 3.02Å; Y3460-L3464 HydrophobicContact CE1-CD2 4.32Å; Y3460-L3464 VanDerWaalsContact O-CB 3.24Å; Y3460-L3464 WeakPolarHBondContact O-CB 3.41Å; Y3460-L3464 PolarHBondContact O-N 3Å; Y3460-H3522 PolarHBondContact OH-O 3.07Å; Y3460-H3522 VanDerWaalsContact OH-O 3.13Å; Y3460-L3523 PolarHBondContact OH-O 3.15Å; Y3460-K3525 HydrophobicContact CD2-CB 4.42Å; Y3460-K3525 HydrophobicContact CE2-CB 3.81Å; Y3460-K3525 HydrophobicContact CE2-CD 4.39Å; Y3460-K3525 HydrophobicContact CE2-CG 4.32Å; Y3460-G3526 VanDerWaalsContact CE1-CA 3.46Å; Y3460-G3526 WeakPolarHBondContact OH-CA 3.38Å; Y3460-G3526 PolarHBondContact OH-N 3.04Å; Y3460-T3534 HydrophobicContact CD1-CG2 4.22Å; Y3460-T3534 HydrophobicContact CE1-CG2 4.28Å; Y3460-F3932 HydrophobicContact CD1-CE1 4.45Å; Y3460-F3932 AromaticContact CD1-CZ 3.89Å; Y3460-F3932 HydrophobicContact CD1-CZ 3.89Å; Y3460-F3932 AromaticContact CD2-CE1 3.86Å; Y3460-F3932 HydrophobicContact CD2-CE1 3.86Å; Y3460-F3932 AromaticContact CD2-CZ 3.91Å; Y3460-F3932 HydrophobicContact CD2-CZ 3.91Å; Y3460-F3932 HydrophobicContact CE1-CZ 4.45Å; Y3460-F3932 HydrophobicContact CE2-CZ 4.45Å; Y3460-F3932 AromaticContact CG-CE1 3.73Å; Y3460-F3932 HydrophobicContact CG-CE1 3.73Å; Y3460-F3932 AromaticContact CG-CZ 3.62Å; Y3460-F3932 HydrophobicContact CG-CZ 3.62Å |
| 3461 | A | 95.3 | Very high | 94.4 | Very high | 19.6667 Ų | 19.6667 | 17.2 Ų | 17.2 | 16% | 0.163 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.4 | -39.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V3457 S3458 L3459 A3465 T3534 | V3457-A3461 PolarHBondContact O-N 3.08Å; S3458-A3461 PolarHBondContact O-N 3.16Å; L3459-A3461 PolarHBondContact O-N 3.07Å; A3461-A3465 PolarHBondContact O-N 3.26Å; A3461-T3534 HydrophobicContact CB-CG2 4.2Å; A3461-T3534 WeakPolarHBondContact CB-OG1 3.2Å |
| 3462 | A | 95.4 | Very high | 94.4 | Very high | 8 Ų | 8 | 19.8 Ų | 19.8 | 7% | 0.066 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -72.8 | -46.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E3421 I3424 I3425 S3458 L3459 Y3460 L3464 A3465 L3466 | E3421-A3462 HydrophobicContact CG-CB 4.21Å; I3424-A3462 HydrophobicContact CB-CB 4.14Å; I3424-A3462 HydrophobicContact CD1-CB 4.47Å; I3424-A3462 VanDerWaalsContact CG2-C 3.49Å; I3424-A3462 HydrophobicContact CG2-CB 3.73Å; I3424-A3462 WeakPolarHBondContact CG2-O 3.32Å; I3425-A3462 HydrophobicContact CG1-CB 4.43Å; S3458-A3462 WeakPolarHBondContact O-CB 3.41Å; S3458-A3462 PolarHBondContact O-N 3.34Å; L3459-A3462 PolarHBondContact O-N 3.12Å; Y3460-A3462 PolarHBondContact O-N 3.02Å; A3462-L3464 VanDerWaalsContact C-N 3.29Å; A3462-L3464 PolarHBondContact O-N 3.08Å; A3462-A3465 WeakPolarHBondContact O-CA 3.38Å; A3462-A3465 WeakPolarHBondContact O-CB 3.25Å; A3462-A3465 PolarHBondContact O-N 3.28Å; A3462-L3466 PolarHBondContact O-N 3.17Å |
| 3463 | G | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.2 | -36.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L3459 A3465 L3466 L3467 | L3459-G3463 PolarHBondContact O-N 3.19Å; G3463-A3465 VanDerWaalsContact C-N 3.32Å; G3463-A3465 PolarHBondContact O-N 3.27Å; G3463-L3466 PolarHBondContact O-N 2.97Å; G3463-L3467 WeakPolarHBondContact O-CB 3.39Å; G3463-L3467 PolarHBondContact O-N 3.23Å |
| 3464 | L | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.8 | -31.6 | 173.1 | -172.6 | 67.3 | 0 | 0 | 0 | 112.3 | L3452 Y3460 A3462 E3468 L3523 T3534 R3537 T3538 V3541 | L3452-L3464 HydrophobicContact CD2-CB 4.13Å; Y3460-L3464 HydrophobicContact CE1-CD2 4.32Å; Y3460-L3464 VanDerWaalsContact O-CB 3.24Å; Y3460-L3464 WeakPolarHBondContact O-CB 3.41Å; Y3460-L3464 PolarHBondContact O-N 3Å; A3462-L3464 VanDerWaalsContact C-N 3.29Å; A3462-L3464 PolarHBondContact O-N 3.08Å; L3464-E3468 WeakPolarHBondContact O-CB 3.33Å; L3464-E3468 PolarHBondContact O-N 3.09Å; L3464-L3523 HydrophobicContact CD1-CD2 3.5Å; L3464-L3523 VanDerWaalsContact CD1-CD2 3.48Å; L3464-T3534 HydrophobicContact CD2-CG2 3.78Å; L3464-R3537 HydrophobicContact CD2-CB 4.06Å; L3464-R3537 HydrophobicContact CD2-CG 3.76Å; L3464-R3537 HydrophobicContact CG-CG 3.86Å; L3464-T3538 VanDerWaalsContact CD2-OG1 3.31Å; L3464-T3538 WeakPolarHBondContact CD2-OG1 3.39Å; L3464-V3541 HydrophobicContact CD1-CB 4.41Å; L3464-V3541 HydrophobicContact CD1-CG1 4.43Å; L3464-V3541 HydrophobicContact CD1-CG2 4.09Å; L3464-V3541 HydrophobicContact CG-CG2 4.47Å |
| 3465 | A | 97 | Very high | 94.4 | Very high | 16 Ų | 16 | 19.8 Ų | 19.8 | 13% | 0.132 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -71.4 | -40.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T3428 A3461 A3462 G3463 L3467 E3468 Q3469 | T3428-A3465 HydrophobicContact CG2-CB 4.4Å; A3461-A3465 PolarHBondContact O-N 3.26Å; A3462-A3465 WeakPolarHBondContact O-CA 3.38Å; A3462-A3465 WeakPolarHBondContact O-CB 3.25Å; A3462-A3465 PolarHBondContact O-N 3.28Å; G3463-A3465 VanDerWaalsContact C-N 3.32Å; G3463-A3465 PolarHBondContact O-N 3.27Å; A3465-L3467 VanDerWaalsContact C-N 3.33Å; A3465-L3467 PolarHBondContact O-N 3.01Å; A3465-E3468 PolarHBondContact O-N 3.05Å; A3465-Q3469 PolarHBondContact O-N 3.03Å |
| 3466 | L | 97.3 | Very high | 94.6 | Very high | 0.333333 Ų | 0.333333 | 24.3 Ų | 24.3 | 0% | 0.002 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.8 | -43.5 | 172.3 | -178.1 | 62.3 | 0 | 0 | 0 | 111.1 | I3424 L3427 T3428 L3431 A3448 I3451 A3462 G3463 Q3469 N3470 | I3424-L3466 HydrophobicContact CG2-CB 3.99Å; I3424-L3466 HydrophobicContact CG2-CD2 4.23Å; L3427-L3466 HydrophobicContact CB-CD1 4.24Å; T3428-L3466 VanDerWaalsContact OG1-CA 3.28Å; T3428-L3466 WeakPolarHBondContact OG1-CA 3.37Å; T3428-L3466 WeakPolarHBondContact OG1-CB 3.42Å; T3428-L3466 PolarHBondContact OG1-N 3.07Å; L3431-L3466 HydrophobicContact CD2-CD1 4.31Å; A3448-L3466 HydrophobicContact CB-CB 4.22Å; A3448-L3466 HydrophobicContact CB-CD2 3.97Å; A3448-L3466 HydrophobicContact CB-CG 3.99Å; I3451-L3466 HydrophobicContact CD1-CD2 4.25Å; A3462-L3466 PolarHBondContact O-N 3.17Å; G3463-L3466 PolarHBondContact O-N 2.97Å; L3466-Q3469 PolarHBondContact O-N 3.19Å; L3466-N3470 WeakPolarHBondContact O-CB 3.46Å; L3466-N3470 PolarHBondContact O-N 2.88Å |
| 3467 | L | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.4 | -43.3 | 176.1 | -176.1 | 60.3 | 0 | 0 | 0 | 112.3 | F3445 A3448 L3449 L3452 G3463 A3465 N3470 L3471 L3523 V3541 | F3445-L3467 HydrophobicContact CD2-CD1 3.52Å; F3445-L3467 HydrophobicContact CE2-CD1 3.62Å; F3445-L3467 HydrophobicContact CG-CD1 4.46Å; A3448-L3467 HydrophobicContact CB-CB 3.96Å; A3448-L3467 HydrophobicContact CB-CD1 4.45Å; L3449-L3467 HydrophobicContact CD2-CD2 4.39Å; L3452-L3467 HydrophobicContact CD1-CD2 4.1Å; G3463-L3467 WeakPolarHBondContact O-CB 3.39Å; G3463-L3467 PolarHBondContact O-N 3.23Å; A3465-L3467 VanDerWaalsContact C-N 3.33Å; A3465-L3467 PolarHBondContact O-N 3.01Å; L3467-N3470 PolarHBondContact O-N 3.09Å; L3467-L3471 HydrophobicContact CD1-CD1 4.06Å; L3467-L3471 HydrophobicContact CD1-CG 4.27Å; L3467-L3471 HydrophobicContact CG-CD1 4.08Å; L3467-L3471 WeakPolarHBondContact O-CB 3.34Å; L3467-L3471 WeakPolarHBondContact O-CD1 3.48Å; L3467-L3471 WeakPolarHBondContact O-CG 3.36Å; L3467-L3471 PolarHBondContact O-N 3.22Å; L3467-L3471 VanDerWaalsContact O-N 3.09Å; L3467-L3523 HydrophobicContact CD2-CD2 3.97Å; L3467-V3541 HydrophobicContact CD2-CG1 4.42Å |
| 3468 | E | 97.3 | Very high | 94.2 | Very high | 22 Ų | 22 | 23.6 Ų | 23.6 | 10% | 0.103 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57 | -49.6 | 174.2 | -178.4 | 168.8 | -129.8 | 0 | 0 | 111.1 | L3464 A3465 L3472 R3537 R3540 V3541 | L3464-E3468 WeakPolarHBondContact O-CB 3.33Å; L3464-E3468 PolarHBondContact O-N 3.09Å; A3465-E3468 PolarHBondContact O-N 3.05Å; E3468-L3472 HydrophobicContact CG-CD1 4.21Å; E3468-L3472 VanDerWaalsContact O-CG 3.27Å; E3468-L3472 WeakPolarHBondContact O-CG 3.45Å; E3468-L3472 PolarHBondContact O-N 3.09Å; E3468-L3472 VanDerWaalsContact O-N 3.13Å; E3468-R3537 WeakPolarHBondContact OE2-CD 3.36Å; E3468-R3537 WeakPolarHBondContact OE2-CG 3.4Å; E3468-R3537 IonicContact OE2-CZ 2.72Å; E3468-R3537 IonicContact OE2-NE 3.46Å; E3468-R3537 PolarHBondContact OE2-NE 3.41Å; E3468-R3537 IonicContact OE2-NH2 2.94Å; E3468-R3540 VanDerWaalsContact CD-NH2 3.26Å; E3468-R3540 IonicContact OE1-CZ 3.01Å; E3468-R3540 IonicContact OE1-NE 2.66Å; E3468-R3540 PolarHBondContact OE1-NE 3.15Å; E3468-R3540 IonicContact OE1-NH1 3.71Å; E3468-R3540 PolarHBondContact OE1-NH1 3.27Å; E3468-R3540 IonicContact OE1-NH2 2.71Å; E3468-R3540 PolarHBondContact OE1-NH2 3.42Å; E3468-R3540 VanDerWaalsContact OE1-NH2 3.08Å; E3468-R3540 IonicContact OE2-CZ 3.67Å; E3468-R3540 IonicContact OE2-NH1 2.59Å; E3468-R3540 PolarHBondContact OE2-NH1 3.1Å; E3468-R3540 IonicContact OE2-NH2 3.1Å; E3468-R3540 PolarHBondContact OE2-NH2 3.43Å; E3468-V3541 HydrophobicContact CB-CG2 3.67Å; E3468-V3541 HydrophobicContact CG-CG2 4.06Å |
| 3469 | Q | 96.7 | Very high | 93.9 | Very high | 48 Ų | 48 | 23.5 Ų | 23.5 | 22% | 0.224 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -72.5 | -35.7 | -178.2 | -171.3 | 53.2 | 66.9 | 0 | 0 | 113 | T3428 P3432 A3465 L3466 L3472 T3473 | T3428-Q3469 HydrophobicContact CG2-CB 3.8Å; T3428-Q3469 HydrophobicContact CG2-CG 4.29Å; T3428-Q3469 WeakPolarHBondContact O-CG 3.36Å; P3432-Q3469 HydrophobicContact CG-CG 4.05Å; A3465-Q3469 PolarHBondContact O-N 3.03Å; L3466-Q3469 PolarHBondContact O-N 3.19Å; Q3469-L3472 PolarHBondContact O-N 3.14Å; Q3469-T3473 PolarHBondContact NE2-OG1 3.21Å; Q3469-T3473 VanDerWaalsContact NE2-OG1 3.14Å; Q3469-T3473 WeakPolarHBondContact O-CB 3.39Å; Q3469-T3473 PolarHBondContact O-N 2.96Å; Q3469-T3473 PolarHBondContact O-OG1 3.11Å |
| 3470 | N | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.8 | -47 | 176.8 | 177.4 | -94.2 | 0 | 0 | 0 | 111.9 | L3431 H3441 F3445 L3466 L3467 L3472 T3473 L3474 | L3431-N3470 HydrophobicContact CD2-CB 3.71Å; H3441-N3470 PolarHBondContact O-ND2 3.24Å; F3445-N3470 WeakPolarHBondContact CB-OD1 3.42Å; L3466-N3470 WeakPolarHBondContact O-CB 3.46Å; L3466-N3470 PolarHBondContact O-N 2.88Å; L3467-N3470 PolarHBondContact O-N 3.09Å; N3470-L3472 VanDerWaalsContact C-N 3.34Å; N3470-L3472 PolarHBondContact O-N 3.31Å; N3470-T3473 PolarHBondContact O-N 3.37Å; N3470-T3473 VanDerWaalsContact O-N 3.16Å; N3470-L3474 WeakPolarHBondContact O-CB 3.31Å; N3470-L3474 WeakPolarHBondContact O-CG 3.4Å; N3470-L3474 PolarHBondContact O-N 3.01Å |
| 3471 | L | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.9 | -41.4 | 175.1 | -70.7 | 167.7 | 0 | 0 | 0 | 111.7 | F3445 L3467 T3473 D3475 F3480 L3485 V3541 L3544 L3545 I3548 | F3445-L3471 HydrophobicContact CD2-CD2 4.2Å; F3445-L3471 HydrophobicContact CE2-CD2 4.07Å; L3467-L3471 HydrophobicContact CD1-CD1 4.06Å; L3467-L3471 HydrophobicContact CD1-CG 4.27Å; L3467-L3471 HydrophobicContact CG-CD1 4.08Å; L3467-L3471 WeakPolarHBondContact O-CB 3.34Å; L3467-L3471 WeakPolarHBondContact O-CD1 3.48Å; L3467-L3471 WeakPolarHBondContact O-CG 3.36Å; L3467-L3471 PolarHBondContact O-N 3.22Å; L3467-L3471 VanDerWaalsContact O-N 3.09Å; L3471-T3473 VanDerWaalsContact C-N 3.32Å; L3471-T3473 PolarHBondContact O-N 2.93Å; L3471-D3475 VanDerWaalsContact O-CB 3.26Å; L3471-D3475 WeakPolarHBondContact O-CB 3.39Å; L3471-D3475 PolarHBondContact O-N 2.81Å; L3471-F3480 HydrophobicContact CD2-CZ 4.42Å; L3471-L3485 HydrophobicContact CD2-CD1 4.16Å; L3471-V3541 HydrophobicContact CD1-CG1 4.27Å; L3471-L3544 HydrophobicContact CB-CD2 3.66Å; L3471-L3544 HydrophobicContact CB-CG 4.41Å; L3471-L3544 HydrophobicContact CD1-CD2 4.48Å; L3471-L3545 HydrophobicContact CD1-CD1 4.45Å; L3471-L3545 HydrophobicContact CD1-CD2 3.62Å; L3471-L3545 HydrophobicContact CD1-CG 3.92Å; L3471-L3545 HydrophobicContact CD2-CD2 3.93Å; L3471-L3545 HydrophobicContact CG-CD2 4.45Å; L3471-I3548 HydrophobicContact CB-CD1 4.16Å; L3471-I3548 HydrophobicContact CD2-CD1 4.14Å |
| 3472 | L | 95.7 | Very high | 91.8 | Very high | 57 Ų | 57 | 39 Ų | 39 | 30% | 0.298 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.5 | -39.7 | 176 | -73 | 170.2 | 0 | 0 | 0 | 112.9 | E3468 Q3469 N3470 D3475 Q3476 L3544 | E3468-L3472 HydrophobicContact CG-CD1 4.21Å; E3468-L3472 VanDerWaalsContact O-CG 3.27Å; E3468-L3472 WeakPolarHBondContact O-CG 3.45Å; E3468-L3472 PolarHBondContact O-N 3.09Å; E3468-L3472 VanDerWaalsContact O-N 3.13Å; Q3469-L3472 PolarHBondContact O-N 3.14Å; N3470-L3472 VanDerWaalsContact C-N 3.34Å; N3470-L3472 PolarHBondContact O-N 3.31Å; L3472-D3475 PolarHBondContact O-N 3.4Å; L3472-Q3476 WeakPolarHBondContact O-CB 3.38Å; L3472-Q3476 VanDerWaalsContact O-CG 3.22Å; L3472-Q3476 WeakPolarHBondContact O-CG 3.38Å; L3472-Q3476 PolarHBondContact O-N 3.23Å; L3472-Q3476 VanDerWaalsContact O-N 3.11Å; L3472-Q3476 PolarHBondContact O-NE2 3.36Å; L3472-Q3476 VanDerWaalsContact O-NE2 3.17Å; L3472-L3544 HydrophobicContact CD2-CD1 3.93Å; L3472-L3544 HydrophobicContact CD2-CD2 3.84Å; L3472-L3544 HydrophobicContact CG-CD2 3.78Å |
| 3473 | T | 93.5 | Very high | 91.3 | Very high | 5.33333 Ų | 5.33333 | 42.9 Ų | 42.9 | 3% | 0.033 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.1 | -42.6 | -180 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | L3431 Q3469 N3470 L3471 D3475 Q3476 N3477 | L3431-T3473 HydrophobicContact CG-CG2 4.5Å; Q3469-T3473 PolarHBondContact NE2-OG1 3.21Å; Q3469-T3473 VanDerWaalsContact NE2-OG1 3.14Å; Q3469-T3473 WeakPolarHBondContact O-CB 3.39Å; Q3469-T3473 PolarHBondContact O-N 2.96Å; Q3469-T3473 PolarHBondContact O-OG1 3.11Å; N3470-T3473 PolarHBondContact O-N 3.37Å; N3470-T3473 VanDerWaalsContact O-N 3.16Å; L3471-T3473 VanDerWaalsContact C-N 3.32Å; L3471-T3473 PolarHBondContact O-N 2.93Å; T3473-D3475 VanDerWaalsContact C-N 3.33Å; T3473-D3475 PolarHBondContact O-N 3.18Å; T3473-Q3476 PolarHBondContact O-N 3.1Å; T3473-N3477 WeakPolarHBondContact O-CB 3.32Å; T3473-N3477 VanDerWaalsContact O-CG 3.22Å; T3473-N3477 PolarHBondContact O-N 3.02Å; T3473-N3477 PolarHBondContact O-ND2 3.39Å; T3473-N3477 PolarHBondContact O-OD1 2.88Å |
| 3474 | L | 92 | Very high | 90.8 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.3 | -36.6 | 173.4 | -74.6 | 169.8 | 0 | 0 | 0 | 112.7 | H3441 N3470 N3477 G3478 T3479 F3480 M3489 | H3441-L3474 HydrophobicContact CB-CD2 3.74Å; H3441-L3474 HydrophobicContact CB-CG 4.37Å; N3470-L3474 WeakPolarHBondContact O-CB 3.31Å; N3470-L3474 WeakPolarHBondContact O-CG 3.4Å; N3470-L3474 PolarHBondContact O-N 3.01Å; L3474-N3477 PolarHBondContact O-N 3.2Å; L3474-G3478 PolarHBondContact O-N 3.18Å; L3474-T3479 HydrophobicContact CD2-CG2 4.29Å; L3474-T3479 VanDerWaalsContact O-CB 3.3Å; L3474-T3479 WeakPolarHBondContact O-CB 3.43Å; L3474-T3479 PolarHBondContact O-N 3.01Å; L3474-T3479 VanDerWaalsContact O-N 3.1Å; L3474-T3479 PolarHBondContact O-OG1 3.05Å; L3474-T3479 VanDerWaalsContact O-OG1 3.06Å; L3474-F3480 HydrophobicContact CB-CD2 4.49Å; L3474-F3480 HydrophobicContact CB-CE2 3.53Å; L3474-F3480 HydrophobicContact CB-CZ 3.58Å; L3474-F3480 HydrophobicContact CD1-CZ 3.97Å; L3474-F3480 HydrophobicContact CG-CZ 4.4Å; L3474-M3489 HydrophobicContact CD1-CE 3.49Å; L3474-M3489 VanDerWaalsContact CD1-CE 3.48Å |
| 3475 | D | 90.9 | Very high | 90.5 | Very high | 36.3333 Ų | 36.3333 | 44.3 Ų | 44.3 | 19% | 0.194 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.6 | -36.5 | 176.3 | -161.7 | 61.9 | 0 | 0 | 0 | 112.3 | L3471 L3472 T3473 N3477 G3478 F3480 K3551 | L3471-D3475 VanDerWaalsContact O-CB 3.26Å; L3471-D3475 WeakPolarHBondContact O-CB 3.39Å; L3471-D3475 PolarHBondContact O-N 2.81Å; L3472-D3475 PolarHBondContact O-N 3.4Å; T3473-D3475 VanDerWaalsContact C-N 3.33Å; T3473-D3475 PolarHBondContact O-N 3.18Å; D3475-N3477 VanDerWaalsContact C-N 3.31Å; D3475-N3477 PolarHBondContact O-N 3.4Å; D3475-G3478 PolarHBondContact O-N 3.07Å; D3475-F3480 HydrophobicContact CB-CD2 4.01Å; D3475-F3480 HydrophobicContact CB-CE2 4.27Å; D3475-K3551 WeakPolarHBondContact OD1-CE 3.28Å; D3475-K3551 IonicContact OD1-NZ 2.77Å; D3475-K3551 PolarHBondContact OD1-NZ 3.27Å; D3475-K3551 IonicContact OD2-NZ 2.94Å; D3475-K3551 PolarHBondContact OD2-NZ 3.08Å |
| 3476 | Q | 90.7 | Very high | 90.2 | Very high | 139.667 Ų | 139.667 | 44.9 Ų | 44.9 | 65% | 0.653 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -69.3 | -32 | 172.6 | -74.1 | 167.4 | 23.7 | 0 | 0 | 112.8 | L3472 T3473 G3478 | L3472-Q3476 WeakPolarHBondContact O-CB 3.38Å; L3472-Q3476 VanDerWaalsContact O-CG 3.22Å; L3472-Q3476 WeakPolarHBondContact O-CG 3.38Å; L3472-Q3476 PolarHBondContact O-N 3.23Å; L3472-Q3476 VanDerWaalsContact O-N 3.11Å; L3472-Q3476 PolarHBondContact O-NE2 3.36Å; L3472-Q3476 VanDerWaalsContact O-NE2 3.17Å; T3473-Q3476 PolarHBondContact O-N 3.1Å; Q3476-G3478 PolarHBondContact O-N 3.01Å |
| 3477 | N | 87.7 | Confident | 89.8 | Confident | 60.3333 Ų | 60.3333 | 47.9 Ų | 47.9 | 32% | 0.323 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 2.3 | 172.6 | -68.3 | -11.8 | 0 | 0 | 0 | 113.1 | T3473 L3474 D3475 T3479 | T3473-N3477 WeakPolarHBondContact O-CB 3.32Å; T3473-N3477 VanDerWaalsContact O-CG 3.22Å; T3473-N3477 PolarHBondContact O-N 3.02Å; T3473-N3477 PolarHBondContact O-ND2 3.39Å; T3473-N3477 PolarHBondContact O-OD1 2.88Å; L3474-N3477 PolarHBondContact O-N 3.2Å; D3475-N3477 VanDerWaalsContact C-N 3.31Å; D3475-N3477 PolarHBondContact O-N 3.4Å; N3477-T3479 VanDerWaalsContact C-N 3.28Å; N3477-T3479 PolarHBondContact O-N 3.2Å |
| 3478 | G | 85.3 | Confident | 89.4 | Confident | 29 Ų | 29 | 48.4 Ų | 48.4 | 30% | 0.299 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 13.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L3474 D3475 Q3476 F3480 E3481 | L3474-G3478 PolarHBondContact O-N 3.18Å; D3475-G3478 PolarHBondContact O-N 3.07Å; Q3476-G3478 PolarHBondContact O-N 3.01Å; G3478-F3480 PolarHBondContact O-N 3.34Å; G3478-F3480 VanDerWaalsContact O-N 3.1Å; G3478-E3481 WeakPolarHBondContact O-CG 3.37Å; G3478-E3481 PolarHBondContact O-N 2.96Å; G3478-E3481 VanDerWaalsContact O-N 3.16Å |
| 3479 | T | 85.4 | Confident | 89.2 | Confident | 42 Ų | 42 | 47.4 Ų | 47.4 | 26% | 0.258 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -26.3 | -171 | -47.5 | 0 | 0 | 0 | 0 | 112.7 | L3474 N3477 I3488 | L3474-T3479 HydrophobicContact CD2-CG2 4.29Å; L3474-T3479 VanDerWaalsContact O-CB 3.3Å; L3474-T3479 WeakPolarHBondContact O-CB 3.43Å; L3474-T3479 PolarHBondContact O-N 3.01Å; L3474-T3479 VanDerWaalsContact O-N 3.1Å; L3474-T3479 PolarHBondContact O-OG1 3.05Å; L3474-T3479 VanDerWaalsContact O-OG1 3.06Å; N3477-T3479 VanDerWaalsContact C-N 3.28Å; N3477-T3479 PolarHBondContact O-N 3.2Å; T3479-I3488 HydrophobicContact CG2-CD1 4.2Å; T3479-I3488 HydrophobicContact CG2-CG2 4.43Å; T3479-I3488 WeakPolarHBondContact O-CD1 3.42Å |
| 3480 | F | 85.3 | Confident | 88.9 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 12.6 | -177.7 | -51 | -55.6 | 0 | 0 | 0 | 114.8 | L3471 L3474 D3475 G3478 R3482 L3485 I3488 M3489 I3548 | L3471-F3480 HydrophobicContact CD2-CZ 4.42Å; L3474-F3480 HydrophobicContact CB-CD2 4.49Å; L3474-F3480 HydrophobicContact CB-CE2 3.53Å; L3474-F3480 HydrophobicContact CB-CZ 3.58Å; L3474-F3480 HydrophobicContact CD1-CZ 3.97Å; L3474-F3480 HydrophobicContact CG-CZ 4.4Å; D3475-F3480 HydrophobicContact CB-CD2 4.01Å; D3475-F3480 HydrophobicContact CB-CE2 4.27Å; G3478-F3480 PolarHBondContact O-N 3.34Å; G3478-F3480 VanDerWaalsContact O-N 3.1Å; F3480-R3482 VanDerWaalsContact C-N 3.32Å; F3480-R3482 PolarHBondContact O-N 2.7Å; F3480-L3485 HydrophobicContact CD1-CD1 4.33Å; F3480-L3485 HydrophobicContact CE1-CB 4.44Å; F3480-L3485 HydrophobicContact CE1-CD1 3.48Å; F3480-L3485 VanDerWaalsContact CE1-CD1 3.48Å; F3480-L3485 HydrophobicContact CZ-CD1 3.75Å; F3480-I3488 HydrophobicContact CD1-CD1 3.56Å; F3480-I3488 HydrophobicContact CE1-CD1 3.9Å; F3480-M3489 HydrophobicContact CE1-CE 4.48Å; F3480-M3489 HydrophobicContact CZ-CE 4.44Å; F3480-I3548 HydrophobicContact CB-CG2 3.89Å; F3480-I3548 HydrophobicContact CD1-CG2 4.02Å; F3480-I3548 HydrophobicContact CD2-CB 4.48Å; F3480-I3548 HydrophobicContact CD2-CD1 4Å; F3480-I3548 HydrophobicContact CD2-CG1 4.03Å; F3480-I3548 HydrophobicContact CD2-CG2 3.65Å; F3480-I3548 HydrophobicContact CE1-CG2 4.5Å; F3480-I3548 HydrophobicContact CE2-CD1 3.86Å; F3480-I3548 HydrophobicContact CE2-CG1 4.4Å; F3480-I3548 HydrophobicContact CE2-CG2 4.16Å; F3480-I3548 HydrophobicContact CG-CG2 3.58Å |
| 3481 | E | 80.6 | Confident | 88.6 | Confident | 127.667 Ų | 127.667 | 55.7 Ų | 55.7 | 60% | 0.597 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -21.3 | 179.4 | -68.1 | -137.4 | 160.8 | 0 | 0 | 114 | G3478 K3551 | G3478-E3481 WeakPolarHBondContact O-CG 3.37Å; G3478-E3481 PolarHBondContact O-N 2.96Å; G3478-E3481 VanDerWaalsContact O-N 3.16Å; E3481-K3551 WeakPolarHBondContact OE1-CD 3.29Å; E3481-K3551 WeakPolarHBondContact OE1-CE 3.01Å; E3481-K3551 IonicContact OE1-NZ 3.7Å; E3481-K3551 PolarHBondContact OE1-NZ 3.42Å |
| 3482 | R | 76 | Confident | 88.2 | Confident | 222.667 Ų | 222.667 | 56.3 Ų | 56.3 | 84% | 0.84 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.1 | -51.3 | -174.5 | -64.8 | -175.7 | 179.8 | -172 | -0.4 | 113.1 | F3480 | F3480-R3482 VanDerWaalsContact C-N 3.32Å; F3480-R3482 PolarHBondContact O-N 2.7Å |
| 3483 | D | 83.4 | Confident | 87.8 | Confident | 88.6667 Ų | 88.6667 | 54.1 Ų | 54.1 | 47% | 0.474 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -98.5 | 144.9 | -177.8 | -63.9 | -47.6 | 0 | 0 | 0 | 110.7 | I3488 | D3483-I3488 HydrophobicContact CB-CD1 3.88Å; D3483-I3488 HydrophobicContact CB-CG1 3.69Å; D3483-I3488 WeakPolarHBondContact O-CD1 3.4Å |
| 3484 | S | 87.4 | Confident | 87.4 | Confident | 26.6667 Ų | 26.6667 | 60.3 Ų | 60.3 | 19% | 0.186 | 30% | 0.296 | C | S | . | . | trans | -72.3 | 150.6 | 177 | 79.8 | 0 | 0 | 0 | 0 | 111.7 | S3486 S3487 I3488 | S3484-S3486 PolarHBondContact O-N 3.13Å; S3484-S3486 VanDerWaalsContact O-N 3.13Å; S3484-S3487 WeakPolarHBondContact O-CA 3.44Å; S3484-S3487 WeakPolarHBondContact O-CB 3.4Å; S3484-S3487 PolarHBondContact O-N 2.92Å; S3484-S3487 PolarHBondContact OG-N 3.04Å; S3484-I3488 PolarHBondContact O-N 2.87Å; S3484-I3488 VanDerWaalsContact O-N 3.09Å | ||
| 3485 | L | 89.7 | Confident | 86.7 | Confident | 3.33333 Ų | 3.33333 | 66.6 Ų | 66.6 | 2% | 0.017 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -51.5 | -37.8 | 177.5 | 176.4 | 66.4 | 0 | 0 | 0 | 112.2 | L3471 F3480 M3489 F3515 L3519 L3545 I3548 | L3471-L3485 HydrophobicContact CD2-CD1 4.16Å; F3480-L3485 HydrophobicContact CD1-CD1 4.33Å; F3480-L3485 HydrophobicContact CE1-CB 4.44Å; F3480-L3485 HydrophobicContact CE1-CD1 3.48Å; F3480-L3485 VanDerWaalsContact CE1-CD1 3.48Å; F3480-L3485 HydrophobicContact CZ-CD1 3.75Å; L3485-M3489 HydrophobicContact CD1-CE 4Å; L3485-M3489 HydrophobicContact CD1-CG 3.78Å; L3485-M3489 HydrophobicContact CG-CG 4.47Å; L3485-M3489 WeakPolarHBondContact O-CB 3.32Å; L3485-M3489 VanDerWaalsContact O-CG 3.29Å; L3485-M3489 WeakPolarHBondContact O-CG 3.33Å; L3485-M3489 PolarHBondContact O-N 3.21Å; L3485-M3489 VanDerWaalsContact O-N 3.11Å; L3485-F3515 HydrophobicContact CD2-CE1 4.06Å; L3485-F3515 HydrophobicContact CG-CE1 3.89Å; L3485-F3515 HydrophobicContact CG-CZ 4.1Å; L3485-L3519 HydrophobicContact CD2-CD2 4.32Å; L3485-L3545 HydrophobicContact CD2-CD2 3.41Å; L3485-L3545 VanDerWaalsContact CD2-CD2 3.41Å; L3485-I3548 HydrophobicContact CB-CG2 4.16Å; L3485-I3548 HydrophobicContact CD2-CG2 4.49Å |
| 3486 | S | 90.2 | Very high | 86.3 | Confident | 28.3333 Ų | 28.3333 | 66.8 Ų | 66.8 | 20% | 0.198 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.6 | -45 | 176.1 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | S3484 M3490 F3515 | S3484-S3486 PolarHBondContact O-N 3.13Å; S3484-S3486 VanDerWaalsContact O-N 3.13Å; S3486-M3490 WeakPolarHBondContact O-CB 3.35Å; S3486-M3490 WeakPolarHBondContact O-CG 3.4Å; S3486-M3490 PolarHBondContact O-N 3.33Å; S3486-F3515 VanDerWaalsContact OG-CB 3.29Å; S3486-F3515 WeakPolarHBondContact OG-CB 3.32Å; S3486-F3515 WeakPolarHBondContact OG-CG 3.32Å |
| 3487 | S | 89.7 | Confident | 86 | Confident | 63 Ų | 63 | 65.1 Ų | 65.1 | 44% | 0.441 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.6 | -52.3 | 179.1 | -175 | 0 | 0 | 0 | 0 | 111.8 | S3484 M3489 M3490 R3491 | S3484-S3487 WeakPolarHBondContact O-CA 3.44Å; S3484-S3487 WeakPolarHBondContact O-CB 3.4Å; S3484-S3487 PolarHBondContact O-N 2.92Å; S3484-S3487 PolarHBondContact OG-N 3.04Å; S3487-M3489 PolarHBondContact O-N 2.86Å; S3487-M3490 PolarHBondContact O-N 2.86Å; S3487-R3491 WeakPolarHBondContact O-CB 3.29Å; S3487-R3491 PolarHBondContact O-N 3.05Å |
| 3488 | I | 89.7 | Confident | 85.9 | Confident | 12.3333 Ų | 12.3333 | 67.7 Ų | 67.7 | 6% | 0.063 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.1 | -50.6 | -178.2 | -62.9 | 153.2 | 0 | 0 | 0 | 110.9 | Q3442 T3479 F3480 D3483 S3484 R3491 C3492 | Q3442-I3488 HydrophobicContact CG-CG2 4.42Å; T3479-I3488 HydrophobicContact CG2-CD1 4.2Å; T3479-I3488 HydrophobicContact CG2-CG2 4.43Å; T3479-I3488 WeakPolarHBondContact O-CD1 3.42Å; F3480-I3488 HydrophobicContact CD1-CD1 3.56Å; F3480-I3488 HydrophobicContact CE1-CD1 3.9Å; D3483-I3488 HydrophobicContact CB-CD1 3.88Å; D3483-I3488 HydrophobicContact CB-CG1 3.69Å; D3483-I3488 WeakPolarHBondContact O-CD1 3.4Å; S3484-I3488 PolarHBondContact O-N 2.87Å; S3484-I3488 VanDerWaalsContact O-N 3.09Å; I3488-R3491 PolarHBondContact O-N 3.07Å; I3488-C3492 PolarHBondContact O-N 2.91Å |
| 3489 | M | 91.4 | Very high | 86 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -74 | -33.5 | -173.8 | -65 | -59.6 | 176.7 | 0 | 0 | 112.5 | F3445 W3446 L3474 F3480 L3485 S3487 C3492 R3493 F3515 | F3445-M3489 HydrophobicContact CB-CE 3.78Å; F3445-M3489 HydrophobicContact CB-SD 3.8Å; F3445-M3489 HydrophobicContact CD1-CB 4.31Å; F3445-M3489 HydrophobicContact CD1-CE 4.23Å; F3445-M3489 HydrophobicContact CD1-CG 3.89Å; F3445-M3489 HydrophobicContact CD1-SD 3.57Å; F3445-M3489 VanDerWaalsContact CD1-SD 3.55Å; F3445-M3489 HydrophobicContact CD2-CE 3.89Å; F3445-M3489 HydrophobicContact CD2-SD 4.31Å; F3445-M3489 HydrophobicContact CE1-CB 4.13Å; F3445-M3489 HydrophobicContact CE1-CG 3.88Å; F3445-M3489 HydrophobicContact CE1-SD 4.2Å; F3445-M3489 HydrophobicContact CG-CE 3.71Å; F3445-M3489 HydrophobicContact CG-CG 4.29Å; F3445-M3489 HydrophobicContact CG-SD 3.64Å; F3445-M3489 HydrophobicContact CZ-CG 4.29Å; W3446-M3489 HydrophobicContact CZ2-CB 3.79Å; W3446-M3489 VanDerWaalsContact CZ2-O 3.31Å; W3446-M3489 WeakPolarHBondContact CZ2-O 3.41Å; W3446-M3489 PolarHBondContact NE1-O 3.09Å; W3446-M3489 VanDerWaalsContact NE1-O 3.12Å; L3474-M3489 HydrophobicContact CD1-CE 3.49Å; L3474-M3489 VanDerWaalsContact CD1-CE 3.48Å; F3480-M3489 HydrophobicContact CE1-CE 4.48Å; F3480-M3489 HydrophobicContact CZ-CE 4.44Å; L3485-M3489 HydrophobicContact CD1-CE 4Å; L3485-M3489 HydrophobicContact CD1-CG 3.78Å; L3485-M3489 HydrophobicContact CG-CG 4.47Å; L3485-M3489 WeakPolarHBondContact O-CB 3.32Å; L3485-M3489 VanDerWaalsContact O-CG 3.29Å; L3485-M3489 WeakPolarHBondContact O-CG 3.33Å; L3485-M3489 PolarHBondContact O-N 3.21Å; L3485-M3489 VanDerWaalsContact O-N 3.11Å; S3487-M3489 PolarHBondContact O-N 2.86Å; M3489-C3492 WeakPolarHBondContact O-CB 3.15Å; M3489-C3492 PolarHBondContact O-N 3Å; M3489-R3493 PolarHBondContact O-N 3.13Å; M3489-R3493 VanDerWaalsContact O-N 3.15Å; M3489-F3515 HydrophobicContact CB-CE2 3.72Å; M3489-F3515 HydrophobicContact CB-CZ 3.86Å; M3489-F3515 HydrophobicContact CG-CZ 4.23Å |
| 3490 | M | 91.6 | Very high | 86.2 | Confident | 42 Ų | 42 | 68.2 Ų | 68.2 | 21% | 0.207 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.2 | -35.7 | 174.1 | -70.1 | -62.9 | -66.5 | 0 | 0 | 112.2 | S3486 S3487 C3492 R3493 E3494 F3511 R3512 F3515 | S3486-M3490 WeakPolarHBondContact O-CB 3.35Å; S3486-M3490 WeakPolarHBondContact O-CG 3.4Å; S3486-M3490 PolarHBondContact O-N 3.33Å; S3487-M3490 PolarHBondContact O-N 2.86Å; M3490-C3492 VanDerWaalsContact C-N 3.31Å; M3490-C3492 PolarHBondContact O-N 3.24Å; M3490-R3493 WeakPolarHBondContact O-CA 3.37Å; M3490-R3493 WeakPolarHBondContact O-CB 3.4Å; M3490-R3493 PolarHBondContact O-N 2.79Å; M3490-R3493 HydrophobicContact SD-CB 4.5Å; M3490-E3494 PolarHBondContact O-N 3.16Å; M3490-F3511 HydrophobicContact SD-CB 4.07Å; M3490-R3512 HydrophobicContact CE-CB 4.28Å; M3490-F3515 HydrophobicContact CG-CD2 3.99Å; M3490-F3515 HydrophobicContact CG-CE2 4.48Å; M3490-F3515 HydrophobicContact SD-CD2 4.06Å |
| 3491 | R | 88.8 | Confident | 86.4 | Confident | 180.667 Ų | 180.667 | 75.2 Ų | 75.2 | 68% | 0.682 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.3 | -40.7 | 172 | -176.7 | 176.7 | 173 | -179.3 | -3.2 | 112.1 | S3487 I3488 R3493 E3494 | S3487-R3491 WeakPolarHBondContact O-CB 3.29Å; S3487-R3491 PolarHBondContact O-N 3.05Å; I3488-R3491 PolarHBondContact O-N 3.07Å; R3491-R3493 VanDerWaalsContact C-N 3.28Å; R3491-R3493 PolarHBondContact O-N 3.25Å; R3491-E3494 PolarHBondContact O-N 3.14Å |
| 3492 | C | 87.1 | Confident | 86.8 | Confident | 11.3333 Ų | 11.3333 | 74.2 Ų | 74.2 | 8% | 0.077 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.2 | -27.2 | 171.4 | -180 | 0 | 0 | 0 | 0 | 112.8 | Q3442 I3488 M3489 M3490 | Q3442-C3492 HydrophobicContact CB-CB 4.14Å; I3488-C3492 PolarHBondContact O-N 2.91Å; M3489-C3492 WeakPolarHBondContact O-CB 3.15Å; M3489-C3492 PolarHBondContact O-N 3Å; M3490-C3492 VanDerWaalsContact C-N 3.31Å; M3490-C3492 PolarHBondContact O-N 3.24Å |
| 3493 | R | 87.7 | Confident | 87.5 | Confident | 11.3333 Ų | 11.3333 | 64.7 Ų | 64.7 | 4% | 0.043 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -76.2 | -23.4 | 178.1 | -96.7 | -176.4 | 170.2 | -142 | -1.9 | 114.8 | W3446 M3489 M3490 R3491 Q3495 F3496 I3497 Y3500 D3504 F3511 | W3446-R3493 HydrophobicContact CD2-CG 4.15Å; W3446-R3493 VanDerWaalsContact CE2-CG 3.48Å; W3446-R3493 HydrophobicContact CH2-CG 4.26Å; W3446-R3493 HydrophobicContact CZ2-CB 4.16Å; W3446-R3493 VanDerWaalsContact CZ2-CD 3.45Å; W3446-R3493 HydrophobicContact CZ2-CG 3.67Å; W3446-R3493 VanDerWaalsContact CZ2-CG 3.49Å; W3446-R3493 VanDerWaalsContact CZ2-NE 3.26Å; W3446-R3493 VanDerWaalsContact CZ3-CZ 3.48Å; W3446-R3493 VanDerWaalsContact CZ3-NE 3.29Å; W3446-R3493 VanDerWaalsContact CZ3-NH2 3.29Å; M3489-R3493 PolarHBondContact O-N 3.13Å; M3489-R3493 VanDerWaalsContact O-N 3.15Å; M3490-R3493 WeakPolarHBondContact O-CA 3.37Å; M3490-R3493 WeakPolarHBondContact O-CB 3.4Å; M3490-R3493 PolarHBondContact O-N 2.79Å; M3490-R3493 HydrophobicContact SD-CB 4.5Å; R3491-R3493 VanDerWaalsContact C-N 3.28Å; R3491-R3493 PolarHBondContact O-N 3.25Å; R3493-Q3495 VanDerWaalsContact C-N 3.27Å; R3493-Q3495 PolarHBondContact O-N 3.27Å; R3493-Q3495 VanDerWaalsContact O-N 3.13Å; R3493-F3496 CarbonylContact O-C 3.36Å; R3493-F3496 PolarHBondContact O-N 3.07Å; R3493-F3496 VanDerWaalsContact O-N 3.12Å; R3493-I3497 PolarHBondContact O-N 3.28Å; R3493-I3497 VanDerWaalsContact O-N 3.16Å; R3493-Y3500 HydrophobicContact CB-CD2 3.93Å; R3493-Y3500 HydrophobicContact CB-CE2 4.08Å; R3493-Y3500 HydrophobicContact CB-CG 4.43Å; R3493-Y3500 HydrophobicContact CG-CD1 4.35Å; R3493-Y3500 HydrophobicContact CG-CD2 3.51Å; R3493-Y3500 HydrophobicContact CG-CE1 4.36Å; R3493-Y3500 HydrophobicContact CG-CE2 3.64Å; R3493-Y3500 VanDerWaalsContact CG-CE2 3.5Å; R3493-Y3500 HydrophobicContact CG-CG 3.89Å; R3493-D3504 IonicContact CZ-OD1 2.92Å; R3493-D3504 IonicContact CZ-OD2 2.92Å; R3493-D3504 VanDerWaalsContact NH1-CG 3.3Å; R3493-D3504 IonicContact NH1-OD1 3.13Å; R3493-D3504 PolarHBondContact NH1-OD1 3.2Å; R3493-D3504 IonicContact NH1-OD2 3.08Å; R3493-D3504 PolarHBondContact NH1-OD2 3.23Å; R3493-D3504 IonicContact NH2-OD1 2.74Å; R3493-D3504 PolarHBondContact NH2-OD1 3.03Å; R3493-D3504 IonicContact NH2-OD2 2.79Å; R3493-F3511 VanDerWaalsContact NH2-CD2 3.33Å |
| 3494 | E | 84.6 | Confident | 87.9 | Confident | 135.667 Ų | 135.667 | 61.2 Ų | 61.2 | 63% | 0.634 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -56.2 | -35.5 | -172.8 | -68.1 | 178.3 | 168.1 | 0 | 0 | 112.9 | M3490 R3491 F3496 I3497 | M3490-E3494 PolarHBondContact O-N 3.16Å; R3491-E3494 PolarHBondContact O-N 3.14Å; E3494-F3496 VanDerWaalsContact C-N 3.32Å; E3494-F3496 PolarHBondContact O-N 3.12Å; E3494-I3497 PolarHBondContact O-N 3.16Å |
| 3495 | Q | 77.8 | Confident | 88.1 | Confident | 136.333 Ų | 136.333 | 67.6 Ų | 67.6 | 64% | 0.637 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -68.2 | -24.2 | -178.1 | -61.5 | -178.5 | -9.9 | 0 | 0 | 114.1 | R3493 H3956 | R3493-Q3495 VanDerWaalsContact C-N 3.27Å; R3493-Q3495 PolarHBondContact O-N 3.27Å; R3493-Q3495 VanDerWaalsContact O-N 3.13Å; Q3495-H3956 PolarHBondContact OE1-CE1 3Å; Q3495-H3956 VanDerWaalsContact OE1-CE1 3.26Å |
| 3496 | F | 82.4 | Confident | 88.1 | Confident | 40.6667 Ų | 40.6667 | 70.4 Ų | 70.4 | 18% | 0.178 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -129 | 33.9 | -177.1 | -48 | -70.9 | 0 | 0 | 0 | 112.1 | R3493 E3494 L3498 Q3499 Y3500 V3951 H3956 | R3493-F3496 CarbonylContact O-C 3.36Å; R3493-F3496 PolarHBondContact O-N 3.07Å; R3493-F3496 VanDerWaalsContact O-N 3.12Å; E3494-F3496 VanDerWaalsContact C-N 3.32Å; E3494-F3496 PolarHBondContact O-N 3.12Å; F3496-L3498 PolarHBondContact O-N 3.36Å; F3496-L3498 VanDerWaalsContact O-N 3.12Å; F3496-Q3499 HydrophobicContact CB-CB 4.29Å; F3496-Q3499 PolarHBondContact O-N 3.23Å; F3496-Q3499 VanDerWaalsContact O-N 3.12Å; F3496-Q3499 PolarHBondContact O-OE1 2.95Å; F3496-Q3499 VanDerWaalsContact O-OE1 3.13Å; F3496-Y3500 HydrophobicContact CB-CD2 3.86Å; F3496-Y3500 HydrophobicContact CB-CE2 3.8Å; F3496-Y3500 AromaticContact CD2-CE2 3.92Å; F3496-Y3500 HydrophobicContact CD2-CE2 3.99Å; F3496-Y3500 HydrophobicContact CG-CE2 4.36Å; F3496-Y3500 VanDerWaalsContact O-CD2 3.28Å; F3496-Y3500 WeakPolarHBondContact O-CD2 3.38Å; F3496-Y3500 PolarHBondContact O-N 3.14Å; F3496-V3951 HydrophobicContact CD1-CG1 3.58Å; F3496-V3951 HydrophobicContact CE1-CG1 3.9Å; F3496-V3951 HydrophobicContact CG-CG1 4.42Å; F3496-H3956 AromaticContact CE2-CD2 3.36Å; F3496-H3956 WeakPolarHBondContact CE2-CD2 3.43Å; F3496-H3956 AromaticContact CE2-NE2 3.48Å; F3496-H3956 WeakPolarHBondContact CE2-NE2 3.42Å; F3496-H3956 AromaticContact CZ-CD2 3.58Å; F3496-H3956 AromaticContact CZ-NE2 3.81Å |
| 3497 | I | 83.9 | Confident | 88.1 | Confident | 104 Ų | 104 | 70.5 Ų | 70.5 | 53% | 0.533 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.9 | -27.6 | -170.5 | -164.3 | 92.7 | 0 | 0 | 0 | 113.8 | R3493 E3494 K3501 | R3493-I3497 PolarHBondContact O-N 3.28Å; R3493-I3497 VanDerWaalsContact O-N 3.16Å; E3494-I3497 PolarHBondContact O-N 3.16Å; I3497-K3501 VanDerWaalsContact O-CB 3.25Å; I3497-K3501 WeakPolarHBondContact O-CB 3.29Å; I3497-K3501 PolarHBondContact O-N 3.31Å; I3497-K3501 VanDerWaalsContact O-N 3.14Å |
| 3498 | L | 86.3 | Confident | 88.2 | Confident | 114 Ų | 114 | 69 Ų | 69 | 60% | 0.597 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -72 | -48.3 | 177.3 | -147.8 | 94.5 | 0 | 0 | 0 | 111.9 | F3496 K3501 Q3502 | F3496-L3498 PolarHBondContact O-N 3.36Å; F3496-L3498 VanDerWaalsContact O-N 3.12Å; L3498-K3501 PolarHBondContact O-N 2.97Å; L3498-Q3502 WeakPolarHBondContact O-CG 3.48Å; L3498-Q3502 PolarHBondContact O-N 3.4Å; L3498-Q3502 VanDerWaalsContact O-N 3.13Å |
| 3499 | Q | 87.7 | Confident | 88.3 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 30% | 0.299 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.7 | -47.6 | 179.9 | -64.6 | 78.7 | -1.5 | 0 | 0 | 110.2 | F3496 K3501 Q3502 M3503 F3948 | F3496-Q3499 HydrophobicContact CB-CB 4.29Å; F3496-Q3499 PolarHBondContact O-N 3.23Å; F3496-Q3499 VanDerWaalsContact O-N 3.12Å; F3496-Q3499 PolarHBondContact O-OE1 2.95Å; F3496-Q3499 VanDerWaalsContact O-OE1 3.13Å; Q3499-K3501 VanDerWaalsContact C-N 3.33Å; Q3499-K3501 PolarHBondContact O-N 3.03Å; Q3499-Q3502 WeakPolarHBondContact O-CB 3.37Å; Q3499-Q3502 PolarHBondContact O-N 3Å; Q3499-Q3502 VanDerWaalsContact O-N 3.14Å; Q3499-M3503 WeakPolarHBondContact O-CG 3.5Å; Q3499-M3503 PolarHBondContact O-N 2.88Å; Q3499-M3503 VanDerWaalsContact O-N 3.08Å; Q3499-F3948 HydrophobicContact CB-CB 4.5Å; Q3499-F3948 HydrophobicContact CB-CD2 4.45Å |
| 3500 | Y | 88.8 | Confident | 88.3 | Confident | 17.6667 Ų | 17.6667 | 70.3 Ų | 70.3 | 7% | 0.069 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 175.6 | -75.8 | -56.6 | 0 | 0 | 0 | 112.6 | W3446 R3493 F3496 Q3502 M3503 D3504 F3948 | W3446-Y3500 HydrophobicContact CB-CE1 4.05Å; W3446-Y3500 WeakPolarHBondContact CB-OH 3.38Å; W3446-Y3500 VanDerWaalsContact CD1-OH 3.27Å; W3446-Y3500 AromaticContact CD2-CE1 3.95Å; W3446-Y3500 HydrophobicContact CD2-CE1 3.95Å; W3446-Y3500 AromaticContact CD2-CZ 3.97Å; W3446-Y3500 HydrophobicContact CE3-CD1 4.47Å; W3446-Y3500 AromaticContact CE3-CE1 3.98Å; W3446-Y3500 HydrophobicContact CE3-CE1 4.1Å; W3446-Y3500 AromaticContact CG-CE1 3.87Å; W3446-Y3500 HydrophobicContact CG-CE1 3.87Å; W3446-Y3500 AromaticContact CG-CZ 3.77Å; W3446-Y3500 VanDerWaalsContact CG-OH 3.27Å; R3493-Y3500 HydrophobicContact CB-CD2 3.93Å; R3493-Y3500 HydrophobicContact CB-CE2 4.08Å; R3493-Y3500 HydrophobicContact CB-CG 4.43Å; R3493-Y3500 HydrophobicContact CG-CD1 4.35Å; R3493-Y3500 HydrophobicContact CG-CD2 3.51Å; R3493-Y3500 HydrophobicContact CG-CE1 4.36Å; R3493-Y3500 HydrophobicContact CG-CE2 3.64Å; R3493-Y3500 VanDerWaalsContact CG-CE2 3.5Å; R3493-Y3500 HydrophobicContact CG-CG 3.89Å; F3496-Y3500 HydrophobicContact CB-CD2 3.86Å; F3496-Y3500 HydrophobicContact CB-CE2 3.8Å; F3496-Y3500 AromaticContact CD2-CE2 3.92Å; F3496-Y3500 HydrophobicContact CD2-CE2 3.99Å; F3496-Y3500 HydrophobicContact CG-CE2 4.36Å; F3496-Y3500 VanDerWaalsContact O-CD2 3.28Å; F3496-Y3500 WeakPolarHBondContact O-CD2 3.38Å; F3496-Y3500 PolarHBondContact O-N 3.14Å; Y3500-Q3502 VanDerWaalsContact C-N 3.32Å; Y3500-Q3502 PolarHBondContact O-N 3.12Å; Y3500-M3503 HydrophobicContact CD1-CE 3.85Å; Y3500-M3503 HydrophobicContact CE1-CE 4.08Å; Y3500-M3503 PolarHBondContact O-N 3.25Å; Y3500-D3504 WeakPolarHBondContact O-CB 3.38Å; Y3500-D3504 PolarHBondContact O-N 3.24Å; Y3500-F3948 HydrophobicContact CD1-CE2 4.27Å; Y3500-F3948 HydrophobicContact CE1-CD2 4.16Å; Y3500-F3948 AromaticContact CE1-CE2 3.44Å; Y3500-F3948 HydrophobicContact CE1-CE2 3.44Å; Y3500-F3948 VanDerWaalsContact CE1-CE2 3.44Å; Y3500-F3948 AromaticContact CE1-CZ 3.77Å; Y3500-F3948 HydrophobicContact CE1-CZ 3.77Å; Y3500-F3948 HydrophobicContact CE2-CE2 4.07Å; Y3500-F3948 AromaticContact CZ-CE2 3.33Å; Y3500-F3948 AromaticContact CZ-CZ 3.84Å; Y3500-F3948 VanDerWaalsContact OH-CE2 3.29Å; Y3500-F3948 WeakPolarHBondContact OH-CE2 3.39Å; Y3500-F3948 WeakPolarHBondContact OH-CZ 3.43Å |
| 3501 | K | 88.7 | Confident | 88.3 | Confident | 148.667 Ų | 148.667 | 68.5 Ų | 68.5 | 65% | 0.646 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.4 | -34.4 | 176.4 | -176.7 | -179.7 | 177.9 | -173.3 | 0 | 112.7 | I3497 L3498 Q3499 H3505 | I3497-K3501 VanDerWaalsContact O-CB 3.25Å; I3497-K3501 WeakPolarHBondContact O-CB 3.29Å; I3497-K3501 PolarHBondContact O-N 3.31Å; I3497-K3501 VanDerWaalsContact O-N 3.14Å; L3498-K3501 PolarHBondContact O-N 2.97Å; Q3499-K3501 VanDerWaalsContact C-N 3.33Å; Q3499-K3501 PolarHBondContact O-N 3.03Å; K3501-H3505 VanDerWaalsContact O-CB 3.26Å; K3501-H3505 WeakPolarHBondContact O-CB 3.36Å; K3501-H3505 PolarHBondContact O-N 3.13Å; K3501-H3505 VanDerWaalsContact O-N 3.12Å |
| 3502 | Q | 90.7 | Very high | 88.3 | Confident | 106 Ų | 106 | 68.5 Ų | 68.5 | 50% | 0.495 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.1 | -43.4 | 174.2 | -71.3 | 173.8 | -20 | 0 | 0 | 111.4 | L3498 Q3499 Y3500 H3505 A3506 L3944 | L3498-Q3502 WeakPolarHBondContact O-CG 3.48Å; L3498-Q3502 PolarHBondContact O-N 3.4Å; L3498-Q3502 VanDerWaalsContact O-N 3.13Å; Q3499-Q3502 WeakPolarHBondContact O-CB 3.37Å; Q3499-Q3502 PolarHBondContact O-N 3Å; Q3499-Q3502 VanDerWaalsContact O-N 3.14Å; Y3500-Q3502 VanDerWaalsContact C-N 3.32Å; Y3500-Q3502 PolarHBondContact O-N 3.12Å; Q3502-H3505 PolarHBondContact O-N 3.12Å; Q3502-A3506 WeakPolarHBondContact O-CB 3.29Å; Q3502-A3506 PolarHBondContact O-N 3.13Å; Q3502-L3944 HydrophobicContact CB-CD2 4Å |
| 3503 | M | 90.1 | Very high | 88.4 | Confident | 25 Ų | 25 | 71.9 Ų | 71.9 | 12% | 0.123 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.3 | -47.8 | 176.9 | -94.6 | 174.2 | 73.6 | 0 | 0 | 112.2 | Q3453 Q3499 Y3500 H3505 A3506 V3507 L3944 F3945 F3948 | Q3453-M3503 PolarHBondContact OE1-SD 3.07Å; Q3453-M3503 VanDerWaalsContact OE1-SD 3.41Å; Q3499-M3503 WeakPolarHBondContact O-CG 3.5Å; Q3499-M3503 PolarHBondContact O-N 2.88Å; Q3499-M3503 VanDerWaalsContact O-N 3.08Å; Y3500-M3503 HydrophobicContact CD1-CE 3.85Å; Y3500-M3503 HydrophobicContact CE1-CE 4.08Å; Y3500-M3503 PolarHBondContact O-N 3.25Å; M3503-H3505 VanDerWaalsContact C-N 3.28Å; M3503-H3505 PolarHBondContact O-N 2.96Å; M3503-A3506 PolarHBondContact O-N 3.11Å; M3503-A3506 VanDerWaalsContact O-N 3.16Å; M3503-V3507 WeakPolarHBondContact O-CG2 3.43Å; M3503-V3507 PolarHBondContact O-N 3.03Å; M3503-L3944 HydrophobicContact CG-CB 4.25Å; M3503-F3945 HydrophobicContact CE-CB 4.46Å; M3503-F3945 HydrophobicContact CE-CD2 3.78Å; M3503-F3948 HydrophobicContact SD-CB 3.75Å; M3503-F3948 HydrophobicContact SD-CD1 4.2Å; M3503-F3948 HydrophobicContact SD-CD2 4.45Å; M3503-F3948 HydrophobicContact SD-CG 3.87Å |
| 3504 | D | 92.2 | Very high | 88.5 | Confident | 13.3333 Ų | 13.3333 | 72.9 Ų | 72.9 | 7% | 0.071 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.7 | -39.6 | 176 | -77.9 | 20.6 | 0 | 0 | 0 | 111.8 | R3493 Y3500 G3508 L3509 F3511 | R3493-D3504 IonicContact CZ-OD1 2.92Å; R3493-D3504 IonicContact CZ-OD2 2.92Å; R3493-D3504 VanDerWaalsContact NH1-CG 3.3Å; R3493-D3504 IonicContact NH1-OD1 3.13Å; R3493-D3504 PolarHBondContact NH1-OD1 3.2Å; R3493-D3504 IonicContact NH1-OD2 3.08Å; R3493-D3504 PolarHBondContact NH1-OD2 3.23Å; R3493-D3504 IonicContact NH2-OD1 2.74Å; R3493-D3504 PolarHBondContact NH2-OD1 3.03Å; R3493-D3504 IonicContact NH2-OD2 2.79Å; Y3500-D3504 WeakPolarHBondContact O-CB 3.38Å; Y3500-D3504 PolarHBondContact O-N 3.24Å; D3504-G3508 VanDerWaalsContact O-CA 3.31Å; D3504-G3508 WeakPolarHBondContact O-CA 3.38Å; D3504-G3508 PolarHBondContact O-N 3.35Å; D3504-L3509 WeakPolarHBondContact CB-O 3.37Å; D3504-L3509 PolarHBondContact O-N 3.23Å; D3504-L3509 VanDerWaalsContact O-N 3.09Å; D3504-F3511 WeakPolarHBondContact OD1-CD2 3.37Å; D3504-F3511 PolarHBondContact OD2-N 3.1Å; D3504-F3511 VanDerWaalsContact OD2-N 3.1Å |
| 3505 | H | 90.9 | Very high | 89 | Confident | 162.667 Ų | 162.667 | 66.8 Ų | 66.8 | 75% | 0.753 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -70.6 | -38.8 | 176.6 | -176.6 | -79.7 | 0 | 0 | 0 | 112.7 | K3501 Q3502 M3503 V3507 G3508 | K3501-H3505 VanDerWaalsContact O-CB 3.26Å; K3501-H3505 WeakPolarHBondContact O-CB 3.36Å; K3501-H3505 PolarHBondContact O-N 3.13Å; K3501-H3505 VanDerWaalsContact O-N 3.12Å; Q3502-H3505 PolarHBondContact O-N 3.12Å; M3503-H3505 VanDerWaalsContact C-N 3.28Å; M3503-H3505 PolarHBondContact O-N 2.96Å; H3505-V3507 VanDerWaalsContact C-N 3.34Å; H3505-G3508 PolarHBondContact O-N 3.11Å |
| 3506 | A | 89.1 | Confident | 89.8 | Confident | 62 Ų | 62 | 60.9 Ų | 60.9 | 51% | 0.512 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.2 | -38.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q3502 M3503 L3944 | Q3502-A3506 WeakPolarHBondContact O-CB 3.29Å; Q3502-A3506 PolarHBondContact O-N 3.13Å; M3503-A3506 PolarHBondContact O-N 3.11Å; M3503-A3506 VanDerWaalsContact O-N 3.16Å; A3506-L3944 HydrophobicContact CB-CD1 3.7Å |
| 3507 | V | 89.9 | Confident | 90.4 | Very high | 30.6667 Ų | 30.6667 | 60.6 Ų | 60.6 | 19% | 0.186 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -80.3 | -26.5 | 175.7 | 178.3 | 0 | 0 | 0 | 0 | 112.2 | Q3453 M3503 H3505 L3509 G3924 F3928 | Q3453-V3507 HydrophobicContact CB-CG2 4.35Å; Q3453-V3507 HydrophobicContact CG-CG2 3.89Å; M3503-V3507 WeakPolarHBondContact O-CG2 3.43Å; M3503-V3507 PolarHBondContact O-N 3.03Å; H3505-V3507 VanDerWaalsContact C-N 3.34Å; V3507-L3509 HydrophobicContact CG1-CB 4.15Å; V3507-L3509 HydrophobicContact CG1-CD1 3.89Å; V3507-L3509 HydrophobicContact CG1-CG 4.04Å; V3507-G3924 WeakPolarHBondContact O-CA 3.34Å; V3507-F3928 HydrophobicContact CG1-CB 4.41Å; V3507-F3928 HydrophobicContact CG1-CD2 3.71Å; V3507-F3928 HydrophobicContact CG1-CE2 4.23Å; V3507-F3928 HydrophobicContact CG1-CG 4.08Å |
| 3508 | G | 91.7 | Very high | 90.9 | Very high | 31.6667 Ų | 31.6667 | 55.7 Ų | 55.7 | 33% | 0.326 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 32.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D3504 H3505 G3921 F3922 G3924 | D3504-G3508 VanDerWaalsContact O-CA 3.31Å; D3504-G3508 WeakPolarHBondContact O-CA 3.38Å; D3504-G3508 PolarHBondContact O-N 3.35Å; H3505-G3508 PolarHBondContact O-N 3.11Å; G3508-G3921 CarbonylContact C-O 3.56Å; G3508-F3922 CarbonylContact O-C 3.56Å; G3508-F3922 VanDerWaalsContact O-C 3.27Å; G3508-F3922 WeakPolarHBondContact O-CA 3.4Å; G3508-G3924 WeakPolarHBondContact O-CA 3.46Å; G3508-G3924 PolarHBondContact O-N 2.98Å |
| 3509 | L | 92.6 | Very high | 91.3 | Very high | 16.6667 Ų | 16.6667 | 50.3 Ų | 50.3 | 9% | 0.087 | 26% | 0.255 | C | S | . | . | trans | -134.3 | 106.4 | 179.5 | -71.3 | 178.7 | 0 | 0 | 0 | 110.3 | D3504 V3507 A3518 H3522 G3921 F3922 L3925 | D3504-L3509 WeakPolarHBondContact CB-O 3.37Å; D3504-L3509 PolarHBondContact O-N 3.23Å; D3504-L3509 VanDerWaalsContact O-N 3.09Å; V3507-L3509 HydrophobicContact CG1-CB 4.15Å; V3507-L3509 HydrophobicContact CG1-CD1 3.89Å; V3507-L3509 HydrophobicContact CG1-CG 4.04Å; L3509-A3518 HydrophobicContact CB-CB 4.41Å; L3509-H3522 VanDerWaalsContact CD1-CE1 3.47Å; L3509-H3522 WeakPolarHBondContact CD1-CE1 3.35Å; L3509-H3522 WeakPolarHBondContact CD1-ND1 3.48Å; L3509-G3921 CarbonylContact C-O 3.44Å; L3509-G3921 WeakPolarHBondContact CA-O 3.5Å; L3509-G3921 PolarHBondContact N-O 3.44Å; L3509-F3922 HydrophobicContact CD2-CD1 3.47Å; L3509-F3922 VanDerWaalsContact CD2-CD1 3.47Å; L3509-F3922 HydrophobicContact CD2-CE1 3.82Å; L3509-F3922 HydrophobicContact CD2-CG 4.47Å; L3509-L3925 HydrophobicContact CD2-CB 3.8Å; L3509-L3925 HydrophobicContact CD2-CD1 3.91Å; L3509-L3925 HydrophobicContact CD2-CG 4.45Å | ||
| 3510 | S | 92 | Very high | 91.7 | Very high | 23 Ų | 23 | 47.4 Ų | 47.4 | 16% | 0.161 | 24% | 0.241 | C | C | . | . | trans | -90 | 110.3 | -177.6 | -178.8 | 0 | 0 | 0 | 0 | 112.7 | R3512 D3513 S3514 G3921 F3922 | S3510-R3512 PolarHBondContact O-N 3.3Å; S3510-D3513 VanDerWaalsContact CB-OD2 3.22Å; S3510-D3513 WeakPolarHBondContact CB-OD2 3.39Å; S3510-D3513 PolarHBondContact O-N 3.27Å; S3510-D3513 PolarHBondContact OG-N 3.14Å; S3510-D3513 PolarHBondContact OG-OD2 3.11Å; S3510-S3514 PolarHBondContact O-N 3.17Å; S3510-S3514 VanDerWaalsContact O-N 3.13Å; S3510-G3921 PolarHBondContact N-O 3.1Å; S3510-F3922 VanDerWaalsContact O-CZ 3.3Å; S3510-F3922 WeakPolarHBondContact O-CZ 3.31Å | ||
| 3511 | F | 91.9 | Very high | 91.9 | Very high | 2.33333 Ų | 2.33333 | 46.9 Ų | 46.9 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.2 | -21.4 | 173.5 | -71.2 | -94.9 | 0 | 0 | 0 | 112.8 | W3446 L3449 M3490 R3493 D3504 F3515 A3518 L3519 H3522 | W3446-F3511 HydrophobicContact CH2-CB 4.4Å; W3446-F3511 AromaticContact CH2-CD1 3.81Å; W3446-F3511 HydrophobicContact CH2-CD1 3.81Å; W3446-F3511 HydrophobicContact CH2-CD2 4.38Å; W3446-F3511 AromaticContact CH2-CE1 3.98Å; W3446-F3511 HydrophobicContact CH2-CE1 4.19Å; W3446-F3511 AromaticContact CH2-CG 3.93Å; W3446-F3511 HydrophobicContact CH2-CG 4.01Å; W3446-F3511 AromaticContact CZ3-CD1 3.95Å; W3446-F3511 HydrophobicContact CZ3-CD1 3.97Å; W3446-F3511 HydrophobicContact CZ3-CD2 4.22Å; W3446-F3511 AromaticContact CZ3-CE1 3.8Å; W3446-F3511 HydrophobicContact CZ3-CE1 3.96Å; W3446-F3511 HydrophobicContact CZ3-CE2 4.2Å; W3446-F3511 HydrophobicContact CZ3-CG 4.1Å; W3446-F3511 AromaticContact CZ3-CZ 3.9Å; W3446-F3511 HydrophobicContact CZ3-CZ 4.09Å; L3449-F3511 HydrophobicContact CD1-CE1 4.11Å; L3449-F3511 HydrophobicContact CD1-CZ 3.92Å; L3449-F3511 HydrophobicContact CD2-CE1 3.77Å; L3449-F3511 HydrophobicContact CD2-CE2 4.27Å; L3449-F3511 HydrophobicContact CD2-CZ 3.92Å; L3449-F3511 VanDerWaalsContact CD2-CZ 3.47Å; L3449-F3511 HydrophobicContact CG-CZ 4.4Å; M3490-F3511 HydrophobicContact SD-CB 4.07Å; R3493-F3511 VanDerWaalsContact NH2-CD2 3.33Å; D3504-F3511 WeakPolarHBondContact OD1-CD2 3.37Å; D3504-F3511 PolarHBondContact OD2-N 3.1Å; D3504-F3511 VanDerWaalsContact OD2-N 3.1Å; F3511-F3515 HydrophobicContact CB-CD2 4.41Å; F3511-F3515 AromaticContact CD1-CD2 3.83Å; F3511-F3515 HydrophobicContact CD1-CD2 3.83Å; F3511-F3515 HydrophobicContact CD1-CE2 4.13Å; F3511-F3515 HydrophobicContact CD1-CG 4.42Å; F3511-F3515 WeakPolarHBondContact O-CA 3.31Å; F3511-F3515 PolarHBondContact O-N 3.06Å; F3511-F3515 VanDerWaalsContact O-N 3.14Å; F3511-A3518 HydrophobicContact CB-CB 4.27Å; F3511-A3518 HydrophobicContact CD1-CB 3.62Å; F3511-A3518 HydrophobicContact CD2-CB 3.89Å; F3511-A3518 HydrophobicContact CE1-CB 3.76Å; F3511-A3518 HydrophobicContact CE2-CB 4.03Å; F3511-A3518 HydrophobicContact CG-CB 3.68Å; F3511-A3518 HydrophobicContact CZ-CB 3.96Å; F3511-L3519 HydrophobicContact CE1-CB 4.13Å; F3511-H3522 AromaticContact CE2-CE1 3.51Å; F3511-H3522 VanDerWaalsContact CE2-CE1 3.49Å; F3511-H3522 WeakPolarHBondContact CE2-CE1 3.4Å; F3511-H3522 AromaticContact CZ-CE1 3.53Å; F3511-H3522 VanDerWaalsContact CZ-CE1 3.49Å; F3511-H3522 WeakPolarHBondContact CZ-CE1 3.31Å; F3511-H3522 AromaticContact CZ-ND1 3.68Å |
| 3512 | R | 88.2 | Confident | 92.2 | Very high | 181.333 Ų | 181.333 | 40 Ų | 40 | 68% | 0.684 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -71.1 | -40.6 | 175.9 | -171.1 | -161.2 | 68 | 173.8 | -3.1 | 111.6 | M3490 S3510 | M3490-R3512 HydrophobicContact CE-CB 4.28Å; S3510-R3512 PolarHBondContact O-N 3.3Å |
| 3513 | D | 88.3 | Confident | 92.5 | Very high | 83.6667 Ų | 83.6667 | 34.9 Ų | 34.9 | 45% | 0.447 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -88.2 | -30 | -173.5 | -51.3 | -43.3 | 0 | 0 | 0 | 111.4 | S3510 | S3510-D3513 VanDerWaalsContact CB-OD2 3.22Å; S3510-D3513 WeakPolarHBondContact CB-OD2 3.39Å; S3510-D3513 PolarHBondContact O-N 3.27Å; S3510-D3513 PolarHBondContact OG-N 3.14Å; S3510-D3513 PolarHBondContact OG-OD2 3.11Å |
| 3514 | S | 91.4 | Very high | 92.7 | Very high | 32.3333 Ų | 32.3333 | 35.3 Ų | 35.3 | 23% | 0.226 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -158.3 | 97.2 | 160.3 | -164.4 | 0 | 0 | 0 | 0 | 113.9 | S3510 H3516 F3517 A3518 F3922 | S3510-S3514 PolarHBondContact O-N 3.17Å; S3510-S3514 VanDerWaalsContact O-N 3.13Å; S3514-H3516 PolarHBondContact O-N 3.2Å; S3514-F3517 PolarHBondContact O-N 3.16Å; S3514-F3517 WeakPolarHBondContact OG-CD2 3.29Å; S3514-A3518 WeakPolarHBondContact O-CB 3.41Å; S3514-A3518 PolarHBondContact O-N 3.02Å; S3514-F3922 WeakPolarHBondContact O-CZ 3.41Å |
| 3515 | F | 93.7 | Very high | 92.8 | Very high | 6.66667 Ų | 6.66667 | 36.2 Ų | 36.2 | 3% | 0.029 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -51 | -49.2 | -178.9 | 179.8 | -89.1 | 0 | 0 | 0 | 113.8 | F3445 W3446 L3485 S3486 M3489 M3490 F3511 A3518 L3519 | F3445-F3515 HydrophobicContact CE1-CE2 4.41Å; F3445-F3515 HydrophobicContact CE1-CZ 4.21Å; F3445-F3515 AromaticContact CZ-CZ 3.95Å; F3445-F3515 HydrophobicContact CZ-CZ 4.03Å; W3446-F3515 HydrophobicContact CH2-CD2 4.4Å; W3446-F3515 AromaticContact CH2-CE2 3.79Å; W3446-F3515 HydrophobicContact CH2-CE2 3.87Å; W3446-F3515 HydrophobicContact CZ2-CE2 4.11Å; L3485-F3515 HydrophobicContact CD2-CE1 4.06Å; L3485-F3515 HydrophobicContact CG-CE1 3.89Å; L3485-F3515 HydrophobicContact CG-CZ 4.1Å; S3486-F3515 VanDerWaalsContact OG-CB 3.29Å; S3486-F3515 WeakPolarHBondContact OG-CB 3.32Å; S3486-F3515 WeakPolarHBondContact OG-CG 3.32Å; M3489-F3515 HydrophobicContact CB-CE2 3.72Å; M3489-F3515 HydrophobicContact CB-CZ 3.86Å; M3489-F3515 HydrophobicContact CG-CZ 4.23Å; M3490-F3515 HydrophobicContact CG-CD2 3.99Å; M3490-F3515 HydrophobicContact CG-CE2 4.48Å; M3490-F3515 HydrophobicContact SD-CD2 4.06Å; F3511-F3515 HydrophobicContact CB-CD2 4.41Å; F3511-F3515 AromaticContact CD1-CD2 3.83Å; F3511-F3515 HydrophobicContact CD1-CD2 3.83Å; F3511-F3515 HydrophobicContact CD1-CE2 4.13Å; F3511-F3515 HydrophobicContact CD1-CG 4.42Å; F3511-F3515 WeakPolarHBondContact O-CA 3.31Å; F3511-F3515 PolarHBondContact O-N 3.06Å; F3511-F3515 VanDerWaalsContact O-N 3.14Å; F3515-A3518 PolarHBondContact O-N 3.2Å; F3515-L3519 HydrophobicContact CE1-CD2 4.15Å; F3515-L3519 HydrophobicContact CZ-CD2 4.46Å; F3515-L3519 WeakPolarHBondContact O-CB 3.41Å; F3515-L3519 PolarHBondContact O-N 3.16Å |
| 3516 | H | 94.3 | Very high | 92.9 | Very high | 13 Ų | 13 | 28.4 Ų | 28.4 | 6% | 0.06 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69 | -40.5 | -174.3 | -60.6 | -73 | 0 | 0 | 0 | 112.7 | S3514 V3520 E3563 A3566 Y3567 | S3514-H3516 PolarHBondContact O-N 3.2Å; H3516-V3520 WeakPolarHBondContact O-CB 3.2Å; H3516-V3520 WeakPolarHBondContact O-CG2 3.42Å; H3516-V3520 PolarHBondContact O-N 3.04Å; H3516-E3563 WeakPolarHBondContact NE2-CG 3.49Å; H3516-E3563 IonicContact NE2-OE1 3.77Å; H3516-A3566 HydrophobicContact CB-CB 4.09Å; H3516-Y3567 HydrophobicContact CB-CE2 4.3Å; H3516-Y3567 AromaticContact ND1-CE2 3.66Å; H3516-Y3567 WeakPolarHBondContact ND1-CE2 3.49Å; H3516-Y3567 AromaticContact ND1-CZ 3.55Å; H3516-Y3567 PolarHBondContact ND1-OH 2.97Å |
| 3517 | F | 95 | Very high | 93.1 | Very high | 34.3333 Ų | 34.3333 | 26.7 Ų | 26.7 | 15% | 0.151 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -70.9 | -35.4 | 175.2 | -80.8 | -83.4 | 0 | 0 | 0 | 112.2 | S3514 V3520 G3521 I3565 A3566 T3830 L3833 T3834 V3837 F3922 | S3514-F3517 PolarHBondContact O-N 3.16Å; S3514-F3517 WeakPolarHBondContact OG-CD2 3.29Å; F3517-V3520 PolarHBondContact O-N 2.72Å; F3517-G3521 PolarHBondContact O-N 3.11Å; F3517-I3565 HydrophobicContact CE2-CG2 3.91Å; F3517-I3565 HydrophobicContact CZ-CG2 3.96Å; F3517-A3566 HydrophobicContact CD1-CB 3.9Å; F3517-A3566 HydrophobicContact CD2-CB 3.93Å; F3517-A3566 HydrophobicContact CE1-CB 3.92Å; F3517-A3566 HydrophobicContact CE2-CB 3.95Å; F3517-A3566 HydrophobicContact CG-CB 3.91Å; F3517-A3566 HydrophobicContact CZ-CB 3.95Å; F3517-T3830 HydrophobicContact CE2-CG2 4.29Å; F3517-L3833 HydrophobicContact CB-CD1 4.21Å; F3517-L3833 HydrophobicContact CD1-CB 3.78Å; F3517-L3833 HydrophobicContact CD2-CB 4.15Å; F3517-L3833 HydrophobicContact CD2-CD1 4.1Å; F3517-L3833 HydrophobicContact CE1-CB 3.87Å; F3517-L3833 HydrophobicContact CE2-CB 4.23Å; F3517-L3833 HydrophobicContact CG-CB 3.93Å; F3517-L3833 HydrophobicContact CG-CD1 4.11Å; F3517-L3833 HydrophobicContact CZ-CB 4.09Å; F3517-T3834 WeakPolarHBondContact CZ-OG1 3.46Å; F3517-V3837 HydrophobicContact CD1-CG2 3.76Å; F3517-V3837 HydrophobicContact CE1-CG2 3.9Å; F3517-F3922 HydrophobicContact CB-CE1 3.84Å; F3517-F3922 HydrophobicContact CB-CZ 4.09Å |
| 3518 | A | 94.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64 | -45.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L3509 F3511 S3514 F3515 G3521 H3522 F3922 | L3509-A3518 HydrophobicContact CB-CB 4.41Å; F3511-A3518 HydrophobicContact CB-CB 4.27Å; F3511-A3518 HydrophobicContact CD1-CB 3.62Å; F3511-A3518 HydrophobicContact CD2-CB 3.89Å; F3511-A3518 HydrophobicContact CE1-CB 3.76Å; F3511-A3518 HydrophobicContact CE2-CB 4.03Å; F3511-A3518 HydrophobicContact CG-CB 3.68Å; F3511-A3518 HydrophobicContact CZ-CB 3.96Å; S3514-A3518 WeakPolarHBondContact O-CB 3.41Å; S3514-A3518 PolarHBondContact O-N 3.02Å; F3515-A3518 PolarHBondContact O-N 3.2Å; A3518-G3521 PolarHBondContact O-N 3.28Å; A3518-H3522 PolarHBondContact O-N 2.85Å; A3518-H3522 PolarHBondContact O-ND1 3.13Å; A3518-F3922 HydrophobicContact CB-CE1 4.07Å; A3518-F3922 HydrophobicContact CB-CZ 4.07Å |
| 3519 | L | 95.3 | Very high | 93.3 | Very high | 0.333333 Ų | 0.333333 | 29.7 Ų | 29.7 | 0% | 0.002 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.7 | -45.2 | 175.6 | -177.9 | 55.5 | 0 | 0 | 0 | 112 | F3445 L3449 L3485 F3511 F3515 G3521 H3522 L3523 L3545 Y3567 | F3445-L3519 HydrophobicContact CZ-CD1 4.12Å; F3445-L3519 HydrophobicContact CZ-CD2 4.18Å; L3449-L3519 HydrophobicContact CD1-CD1 4.19Å; L3449-L3519 HydrophobicContact CD2-CD1 3.93Å; L3485-L3519 HydrophobicContact CD2-CD2 4.32Å; F3511-L3519 HydrophobicContact CE1-CB 4.13Å; F3515-L3519 HydrophobicContact CE1-CD2 4.15Å; F3515-L3519 HydrophobicContact CZ-CD2 4.46Å; F3515-L3519 WeakPolarHBondContact O-CB 3.41Å; F3515-L3519 PolarHBondContact O-N 3.16Å; L3519-G3521 VanDerWaalsContact C-N 3.32Å; L3519-G3521 PolarHBondContact O-N 3.02Å; L3519-H3522 PolarHBondContact O-N 3.13Å; L3519-L3523 HydrophobicContact CD1-CD1 4.37Å; L3519-L3523 HydrophobicContact CG-CD1 4.33Å; L3519-L3523 WeakPolarHBondContact O-CG 3.33Å; L3519-L3523 PolarHBondContact O-N 3.41Å; L3519-L3545 HydrophobicContact CD2-CD1 3.79Å; L3519-L3545 HydrophobicContact CD2-CD2 3.78Å; L3519-L3545 HydrophobicContact CD2-CG 4.44Å; L3519-L3545 HydrophobicContact CG-CD1 4.17Å; L3519-Y3567 HydrophobicContact CD2-CE1 4.41Å |
| 3520 | V | 95.8 | Very high | 93.3 | Very high | 2.66667 Ų | 2.66667 | 33.6 Ų | 33.6 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.4 | -41.3 | 174.6 | 165.6 | 0 | 0 | 0 | 0 | 111.6 | H3516 F3517 H3522 L3523 L3524 L3542 A3566 Y3567 A3570 V3837 | H3516-V3520 WeakPolarHBondContact O-CB 3.2Å; H3516-V3520 WeakPolarHBondContact O-CG2 3.42Å; H3516-V3520 PolarHBondContact O-N 3.04Å; F3517-V3520 PolarHBondContact O-N 2.72Å; V3520-H3522 VanDerWaalsContact C-N 3.26Å; V3520-H3522 PolarHBondContact O-N 2.97Å; V3520-L3523 CarbonylContact O-C 3.55Å; V3520-L3523 WeakPolarHBondContact O-CA 3.32Å; V3520-L3523 PolarHBondContact O-N 3.09Å; V3520-L3523 VanDerWaalsContact O-N 3.08Å; V3520-L3524 HydrophobicContact CG1-CD1 4.29Å; V3520-L3524 HydrophobicContact CG1-CD2 4.29Å; V3520-L3524 HydrophobicContact CG1-CG 4.04Å; V3520-L3524 WeakPolarHBondContact O-CG 3.37Å; V3520-L3524 PolarHBondContact O-N 3.16Å; V3520-L3542 HydrophobicContact CG2-CD2 4.11Å; V3520-A3566 HydrophobicContact CB-CB 4.41Å; V3520-A3566 HydrophobicContact CG2-CB 3.88Å; V3520-Y3567 HydrophobicContact CG2-CD1 3.44Å; V3520-Y3567 VanDerWaalsContact CG2-CD1 3.47Å; V3520-Y3567 HydrophobicContact CG2-CE1 3.79Å; V3520-Y3567 HydrophobicContact CG2-CG 4.38Å; V3520-A3570 HydrophobicContact CG1-CB 3.77Å; V3520-V3837 HydrophobicContact CG1-CG1 4.45Å; V3520-V3837 HydrophobicContact CG1-CG2 4.48Å |
| 3521 | G | 94.3 | Very high | 93.3 | Very high | 8 Ų | 8 | 35.6 Ų | 35.6 | 8% | 0.082 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.5 | -36.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F3517 A3518 L3519 F3928 | F3517-G3521 PolarHBondContact O-N 3.11Å; A3518-G3521 PolarHBondContact O-N 3.28Å; L3519-G3521 VanDerWaalsContact C-N 3.32Å; L3519-G3521 PolarHBondContact O-N 3.02Å; G3521-F3928 WeakPolarHBondContact O-CD1 3.35Å |
| 3522 | H | 94.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.2 | -43.1 | 172.9 | -68.9 | 75.5 | 0 | 0 | 0 | 111.8 | L3449 Q3453 Y3460 L3509 F3511 A3518 L3519 V3520 L3524 K3525 F3928 | L3449-H3522 HydrophobicContact CD1-CB 3.77Å; L3449-H3522 HydrophobicContact CD2-CB 4.04Å; Q3453-H3522 WeakPolarHBondContact CG-NE2 3.2Å; Q3453-H3522 PolarHBondContact NE2-NE2 3.38Å; Y3460-H3522 PolarHBondContact OH-O 3.07Å; Y3460-H3522 VanDerWaalsContact OH-O 3.13Å; L3509-H3522 VanDerWaalsContact CD1-CE1 3.47Å; L3509-H3522 WeakPolarHBondContact CD1-CE1 3.35Å; L3509-H3522 WeakPolarHBondContact CD1-ND1 3.48Å; F3511-H3522 AromaticContact CE2-CE1 3.51Å; F3511-H3522 VanDerWaalsContact CE2-CE1 3.49Å; F3511-H3522 WeakPolarHBondContact CE2-CE1 3.4Å; F3511-H3522 AromaticContact CZ-CE1 3.53Å; F3511-H3522 VanDerWaalsContact CZ-CE1 3.49Å; F3511-H3522 WeakPolarHBondContact CZ-CE1 3.31Å; F3511-H3522 AromaticContact CZ-ND1 3.68Å; A3518-H3522 PolarHBondContact O-N 2.85Å; A3518-H3522 PolarHBondContact O-ND1 3.13Å; L3519-H3522 PolarHBondContact O-N 3.13Å; V3520-H3522 VanDerWaalsContact C-N 3.26Å; V3520-H3522 PolarHBondContact O-N 2.97Å; H3522-L3524 VanDerWaalsContact C-N 3.29Å; H3522-L3524 PolarHBondContact O-N 3.19Å; H3522-K3525 PolarHBondContact O-N 3.07Å; H3522-F3928 HydrophobicContact CB-CE1 4.49Å |
| 3523 | L | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.8 | -28.3 | -177.1 | -66.6 | 172.7 | 0 | 0 | 0 | 114 | L3452 Y3460 L3464 L3467 L3519 V3520 K3525 G3526 T3538 V3541 L3542 L3545 | L3452-L3523 HydrophobicContact CD1-CD2 4.45Å; Y3460-L3523 PolarHBondContact OH-O 3.15Å; L3464-L3523 HydrophobicContact CD1-CD2 3.5Å; L3464-L3523 VanDerWaalsContact CD1-CD2 3.48Å; L3467-L3523 HydrophobicContact CD2-CD2 3.97Å; L3519-L3523 HydrophobicContact CD1-CD1 4.37Å; L3519-L3523 HydrophobicContact CG-CD1 4.33Å; L3519-L3523 WeakPolarHBondContact O-CG 3.33Å; L3519-L3523 PolarHBondContact O-N 3.41Å; V3520-L3523 CarbonylContact O-C 3.55Å; V3520-L3523 WeakPolarHBondContact O-CA 3.32Å; V3520-L3523 PolarHBondContact O-N 3.09Å; V3520-L3523 VanDerWaalsContact O-N 3.08Å; L3523-K3525 PolarHBondContact O-N 3.37Å; L3523-K3525 VanDerWaalsContact O-N 3.12Å; L3523-G3526 PolarHBondContact O-N 3.23Å; L3523-T3538 HydrophobicContact CB-CG2 4.49Å; L3523-T3538 VanDerWaalsContact O-CG2 3.24Å; L3523-T3538 WeakPolarHBondContact O-CG2 3.39Å; L3523-V3541 HydrophobicContact CD1-CG1 4.1Å; L3523-V3541 HydrophobicContact CD2-CG1 4.02Å; L3523-L3542 HydrophobicContact CB-CD2 4.29Å; L3523-L3542 HydrophobicContact CD1-CD2 3.71Å; L3523-L3542 HydrophobicContact CD1-CG 4.26Å; L3523-L3545 HydrophobicContact CD1-CD1 3.52Å |
| 3524 | L | 94.7 | Very high | 94 | Very high | 31.6667 Ų | 31.6667 | 35.6 Ų | 35.6 | 17% | 0.166 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -56.7 | -30.4 | 179.7 | -77.1 | 175.5 | 0 | 0 | 0 | 113 | V3520 H3522 G3526 F3527 A3570 V3837 T3840 L3841 L3925 S3929 | V3520-L3524 HydrophobicContact CG1-CD1 4.29Å; V3520-L3524 HydrophobicContact CG1-CD2 4.29Å; V3520-L3524 HydrophobicContact CG1-CG 4.04Å; V3520-L3524 WeakPolarHBondContact O-CG 3.37Å; V3520-L3524 PolarHBondContact O-N 3.16Å; H3522-L3524 VanDerWaalsContact C-N 3.29Å; H3522-L3524 PolarHBondContact O-N 3.19Å; L3524-G3526 PolarHBondContact O-N 2.98Å; L3524-F3527 HydrophobicContact CD2-CD2 4.22Å; L3524-F3527 HydrophobicContact CD2-CE2 4.18Å; L3524-F3527 WeakPolarHBondContact O-CD2 3.28Å; L3524-F3527 PolarHBondContact O-N 3.13Å; L3524-A3570 HydrophobicContact CD2-CB 4.18Å; L3524-V3837 HydrophobicContact CD1-CG1 4.25Å; L3524-V3837 HydrophobicContact CD2-CG1 4.37Å; L3524-T3840 HydrophobicContact CD1-CG2 4.25Å; L3524-L3841 HydrophobicContact CD2-CD1 4.38Å; L3524-L3841 HydrophobicContact CD2-CD2 3.73Å; L3524-L3841 HydrophobicContact CD2-CG 4.02Å; L3524-L3925 HydrophobicContact CD1-CD1 4.2Å; L3524-S3929 WeakPolarHBondContact CB-OG 3.36Å |
| 3525 | K | 93.4 | Very high | 94.2 | Very high | 32.6667 Ų | 32.6667 | 35.6 Ų | 35.6 | 14% | 0.142 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -61 | -29.4 | 175.6 | -136.3 | 175.5 | -163.6 | 165.1 | 0 | 112.7 | D3455 Y3460 H3522 L3523 F3527 R3528 F3928 G3930 F3932 | D3455-K3525 WeakPolarHBondContact OD1-CE 3.39Å; D3455-K3525 IonicContact OD1-NZ 3.22Å; D3455-K3525 PolarHBondContact OD1-NZ 3.23Å; D3455-K3525 IonicContact OD2-NZ 3.72Å; D3455-K3525 PolarHBondContact OD2-NZ 3.08Å; Y3460-K3525 HydrophobicContact CD2-CB 4.42Å; Y3460-K3525 HydrophobicContact CE2-CB 3.81Å; Y3460-K3525 HydrophobicContact CE2-CD 4.39Å; Y3460-K3525 HydrophobicContact CE2-CG 4.32Å; H3522-K3525 PolarHBondContact O-N 3.07Å; L3523-K3525 PolarHBondContact O-N 3.37Å; L3523-K3525 VanDerWaalsContact O-N 3.12Å; K3525-F3527 PolarHBondContact O-N 3.23Å; K3525-R3528 WeakPolarHBondContact O-CA 3.46Å; K3525-R3528 WeakPolarHBondContact O-CB 3.47Å; K3525-R3528 PolarHBondContact O-N 2.95Å; K3525-F3928 HydrophobicContact CB-CE1 4.29Å; K3525-F3928 HydrophobicContact CD-CE1 4.19Å; K3525-F3928 HydrophobicContact CD-CZ 4.48Å; K3525-F3928 VanDerWaalsContact CD-O 3.24Å; K3525-F3928 WeakPolarHBondContact CD-O 3.35Å; K3525-F3928 WeakPolarHBondContact CE-O 3.49Å; K3525-F3928 PolarHBondContact NZ-O 3.48Å; K3525-G3930 VanDerWaalsContact CE-O 3.24Å; K3525-G3930 WeakPolarHBondContact CE-O 3.19Å; K3525-F3932 HydrophobicContact CD-CE1 4.13Å; K3525-F3932 HydrophobicContact CD-CZ 4.19Å; K3525-F3932 HydrophobicContact CG-CE1 4.33Å; K3525-F3932 HydrophobicContact CG-CE2 4.07Å; K3525-F3932 HydrophobicContact CG-CZ 3.87Å |
| 3526 | G | 93.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -63.4 | -23.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y3460 L3523 L3524 R3528 H3529 V3535 T3538 | Y3460-G3526 VanDerWaalsContact CE1-CA 3.46Å; Y3460-G3526 WeakPolarHBondContact OH-CA 3.38Å; Y3460-G3526 PolarHBondContact OH-N 3.04Å; L3523-G3526 PolarHBondContact O-N 3.23Å; L3524-G3526 PolarHBondContact O-N 2.98Å; G3526-R3528 PolarHBondContact O-N 3.4Å; G3526-H3529 WeakPolarHBondContact O-CB 3.31Å; G3526-H3529 PolarHBondContact O-N 3.27Å; G3526-V3535 WeakPolarHBondContact O-CG2 3.32Å; G3526-T3538 WeakPolarHBondContact CA-OG1 3.4Å |
| 3527 | F | 93.9 | Very high | 94.4 | Very high | 25.3333 Ų | 25.3333 | 39.9 Ų | 39.9 | 11% | 0.111 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -71.3 | -10.6 | 170.8 | -66.6 | -67 | 0 | 0 | 0 | 113.9 | L3524 K3525 V3535 T3538 I3539 L3542 V3574 L3841 | L3524-F3527 HydrophobicContact CD2-CD2 4.22Å; L3524-F3527 HydrophobicContact CD2-CE2 4.18Å; L3524-F3527 WeakPolarHBondContact O-CD2 3.28Å; L3524-F3527 PolarHBondContact O-N 3.13Å; K3525-F3527 PolarHBondContact O-N 3.23Å; F3527-V3535 HydrophobicContact CD1-CG1 4.15Å; F3527-T3538 HydrophobicContact CD2-CG2 4.4Å; F3527-T3538 HydrophobicContact CE1-CG2 4.48Å; F3527-T3538 HydrophobicContact CE2-CG2 4.21Å; F3527-T3538 HydrophobicContact CZ-CG2 4.28Å; F3527-I3539 HydrophobicContact CE1-CD1 4.34Å; F3527-I3539 HydrophobicContact CE1-CG1 3.7Å; F3527-I3539 HydrophobicContact CZ-CG1 4.38Å; F3527-L3542 HydrophobicContact CE2-CD1 3.81Å; F3527-L3542 HydrophobicContact CZ-CD1 3.66Å; F3527-V3574 HydrophobicContact CD1-CG1 4.35Å; F3527-V3574 HydrophobicContact CE1-CB 4.38Å; F3527-V3574 HydrophobicContact CE1-CG1 3.85Å; F3527-V3574 HydrophobicContact CE1-CG2 3.96Å; F3527-V3574 HydrophobicContact CZ-CG2 4.09Å; F3527-L3841 HydrophobicContact CD2-CD2 4.27Å; F3527-L3841 HydrophobicContact CE2-CD2 4.47Å |
| 3528 | R | 92.3 | Very high | 94.5 | Very high | 104.667 Ų | 104.667 | 38.2 Ų | 38.2 | 40% | 0.395 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -111.4 | 11.7 | 179.4 | -52.5 | -88.9 | 164.6 | -147.9 | 7.3 | 112.5 | K3525 G3526 Y3844 E3850 | K3525-R3528 WeakPolarHBondContact O-CA 3.46Å; K3525-R3528 WeakPolarHBondContact O-CB 3.47Å; K3525-R3528 PolarHBondContact O-N 2.95Å; G3526-R3528 PolarHBondContact O-N 3.4Å; R3528-Y3844 PolarHBondContact NE-O 3.4Å; R3528-E3850 IonicContact NH2-OE2 3.73Å |
| 3529 | H | 93.7 | Very high | 94.5 | Very high | 20 Ų | 20 | 40.4 Ų | 40.4 | 9% | 0.093 | 21% | 0.211 | C | C | . | . | trans | -77 | 138.2 | 177.8 | -172.7 | -84.7 | 0 | 0 | 0 | 111.6 | V3457 G3526 D3531 T3534 V3535 F3932 | V3457-H3529 WeakPolarHBondContact CG1-NE2 3.27Å; V3457-H3529 PolarHBondContact O-NE2 3.2Å; G3526-H3529 WeakPolarHBondContact O-CB 3.31Å; G3526-H3529 PolarHBondContact O-N 3.27Å; H3529-D3531 PolarHBondContact CE1-N 3.25Å; H3529-D3531 PolarHBondContact ND1-N 3.18Å; H3529-D3531 PolarHBondContact ND1-O 3.02Å; H3529-D3531 VanDerWaalsContact ND1-O 3.15Å; H3529-T3534 HydrophobicContact CB-CG2 4Å; H3529-T3534 PolarHBondContact CE1-OG1 2.85Å; H3529-T3534 VanDerWaalsContact CE1-OG1 3.25Å; H3529-T3534 VanDerWaalsContact ND1-CB 3.26Å; H3529-T3534 WeakPolarHBondContact ND1-CB 3.4Å; H3529-T3534 PolarHBondContact ND1-OG1 3.1Å; H3529-V3535 HydrophobicContact CB-CG2 4.48Å; H3529-V3535 WeakPolarHBondContact O-CG2 3.38Å; H3529-F3932 HydrophobicContact CB-CE2 4.06Å | ||
| 3530 | P | 92.6 | Very high | 94.5 | Very high | 100 Ų | 100 | 46.3 Ų | 46.3 | 65% | 0.649 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -69.4 | -32.9 | -175.6 | 25.8 | -34.7 | 0 | 0 | 0 | 114.7 | V3457 V3532 | V3457-P3530 HydrophobicContact CG1-CG 3.71Å; P3530-V3532 PolarHBondContact O-N 2.95Å |
| 3531 | D | 91.8 | Very high | 94.6 | Very high | 64 Ų | 64 | 46.2 Ų | 46.2 | 34% | 0.342 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -78.1 | 118.2 | 168.5 | -172.2 | -2.4 | 0 | 0 | 0 | 110.7 | H3529 K3533 T3534 V3535 | H3529-D3531 PolarHBondContact CE1-N 3.25Å; H3529-D3531 PolarHBondContact ND1-N 3.18Å; H3529-D3531 PolarHBondContact ND1-O 3.02Å; H3529-D3531 VanDerWaalsContact ND1-O 3.15Å; D3531-K3533 PolarHBondContact O-N 3.37Å; D3531-K3533 WeakPolarHBondContact OD1-CB 3.29Å; D3531-K3533 WeakPolarHBondContact OD1-CG 3.35Å; D3531-K3533 PolarHBondContact OD1-N 2.9Å; D3531-K3533 WeakPolarHBondContact OD2-CD 3.33Å; D3531-T3534 WeakPolarHBondContact O-CB 3.37Å; D3531-T3534 PolarHBondContact O-N 3.18Å; D3531-V3535 PolarHBondContact O-N 3.29Å |
| 3532 | V | 92.8 | Very high | 94.7 | Very high | 112.667 Ų | 112.667 | 45.9 Ų | 45.9 | 68% | 0.683 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -56.6 | -28 | 174.3 | -175.2 | 0 | 0 | 0 | 0 | 112.2 | P3530 T3534 V3535 A3536 | P3530-V3532 PolarHBondContact O-N 2.95Å; V3532-T3534 VanDerWaalsContact C-N 3.31Å; V3532-T3534 PolarHBondContact O-N 2.99Å; V3532-V3535 WeakPolarHBondContact O-CB 3.16Å; V3532-V3535 PolarHBondContact O-N 3.16Å; V3532-A3536 WeakPolarHBondContact O-CB 3.44Å; V3532-A3536 PolarHBondContact O-N 3.02Å |
| 3533 | K | 94 | Very high | 94.6 | Very high | 152.667 Ų | 152.667 | 47.5 Ų | 47.5 | 66% | 0.664 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -64 | -35.9 | 175 | -60 | 171.2 | -163.2 | 154.4 | 0 | 112 | D3531 A3536 R3537 | D3531-K3533 PolarHBondContact O-N 3.37Å; D3531-K3533 WeakPolarHBondContact OD1-CB 3.29Å; D3531-K3533 WeakPolarHBondContact OD1-CG 3.35Å; D3531-K3533 PolarHBondContact OD1-N 2.9Å; D3531-K3533 WeakPolarHBondContact OD2-CD 3.33Å; K3533-A3536 PolarHBondContact O-N 3.05Å; K3533-R3537 WeakPolarHBondContact O-CB 3.37Å; K3533-R3537 PolarHBondContact O-N 3.15Å |
| 3534 | T | 95 | Very high | 94.5 | Very high | 2.33333 Ų | 2.33333 | 49.1 Ų | 49.1 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.6 | -36.8 | 175.5 | -53 | 0 | 0 | 0 | 0 | 111.2 | Y3460 A3461 L3464 H3529 D3531 V3532 R3537 T3538 | Y3460-T3534 HydrophobicContact CD1-CG2 4.22Å; Y3460-T3534 HydrophobicContact CE1-CG2 4.28Å; A3461-T3534 HydrophobicContact CB-CG2 4.2Å; A3461-T3534 WeakPolarHBondContact CB-OG1 3.2Å; L3464-T3534 HydrophobicContact CD2-CG2 3.78Å; H3529-T3534 HydrophobicContact CB-CG2 4Å; H3529-T3534 PolarHBondContact CE1-OG1 2.85Å; H3529-T3534 VanDerWaalsContact CE1-OG1 3.25Å; H3529-T3534 VanDerWaalsContact ND1-CB 3.26Å; H3529-T3534 WeakPolarHBondContact ND1-CB 3.4Å; H3529-T3534 PolarHBondContact ND1-OG1 3.1Å; D3531-T3534 WeakPolarHBondContact O-CB 3.37Å; D3531-T3534 PolarHBondContact O-N 3.18Å; V3532-T3534 VanDerWaalsContact C-N 3.31Å; V3532-T3534 PolarHBondContact O-N 2.99Å; T3534-R3537 PolarHBondContact O-N 3.15Å; T3534-T3538 WeakPolarHBondContact O-CB 3.29Å; T3534-T3538 PolarHBondContact O-N 3.34Å; T3534-T3538 PolarHBondContact O-OG1 3.12Å |
| 3535 | V | 95.3 | Very high | 94.4 | Very high | 33 Ų | 33 | 47.6 Ų | 47.6 | 20% | 0.2 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.6 | -48.6 | 171 | -177.3 | 0 | 0 | 0 | 0 | 110 | G3526 F3527 H3529 D3531 V3532 R3537 T3538 I3539 | G3526-V3535 WeakPolarHBondContact O-CG2 3.32Å; F3527-V3535 HydrophobicContact CD1-CG1 4.15Å; H3529-V3535 HydrophobicContact CB-CG2 4.48Å; H3529-V3535 WeakPolarHBondContact O-CG2 3.38Å; D3531-V3535 PolarHBondContact O-N 3.29Å; V3532-V3535 WeakPolarHBondContact O-CB 3.16Å; V3532-V3535 PolarHBondContact O-N 3.16Å; V3535-R3537 VanDerWaalsContact C-N 3.34Å; V3535-R3537 PolarHBondContact O-N 2.92Å; V3535-T3538 VanDerWaalsContact O-CB 3.32Å; V3535-T3538 WeakPolarHBondContact O-CB 3.3Å; V3535-T3538 PolarHBondContact O-N 3.21Å; V3535-T3538 VanDerWaalsContact O-N 3.12Å; V3535-I3539 WeakPolarHBondContact O-CG1 3.39Å; V3535-I3539 PolarHBondContact O-N 3.15Å; V3535-I3539 VanDerWaalsContact O-N 3.15Å |
| 3536 | A | 95.9 | Very high | 94.3 | Very high | 46 Ų | 46 | 46.1 Ų | 46.1 | 38% | 0.38 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.2 | -39.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | V3532 K3533 T3538 I3539 R3540 | V3532-A3536 WeakPolarHBondContact O-CB 3.44Å; V3532-A3536 PolarHBondContact O-N 3.02Å; K3533-A3536 PolarHBondContact O-N 3.05Å; A3536-T3538 VanDerWaalsContact C-N 3.34Å; A3536-T3538 PolarHBondContact O-N 3.16Å; A3536-I3539 WeakPolarHBondContact O-CB 3.28Å; A3536-I3539 PolarHBondContact O-N 3.24Å; A3536-R3540 WeakPolarHBondContact O-CG 3.45Å; A3536-R3540 PolarHBondContact O-N 3.21Å; A3536-R3540 VanDerWaalsContact O-N 3.13Å |
| 3537 | R | 96.6 | Very high | 94.1 | Very high | 63 Ų | 63 | 47.2 Ų | 47.2 | 24% | 0.238 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.5 | -41.2 | 172.1 | 178.8 | 175.8 | -76.3 | 127.5 | -2 | 111.8 | L3464 E3468 K3533 T3534 V3535 I3539 R3540 V3541 | L3464-R3537 HydrophobicContact CD2-CB 4.06Å; L3464-R3537 HydrophobicContact CD2-CG 3.76Å; L3464-R3537 HydrophobicContact CG-CG 3.86Å; E3468-R3537 WeakPolarHBondContact OE2-CD 3.36Å; E3468-R3537 WeakPolarHBondContact OE2-CG 3.4Å; E3468-R3537 IonicContact OE2-CZ 2.72Å; E3468-R3537 IonicContact OE2-NE 3.46Å; E3468-R3537 PolarHBondContact OE2-NE 3.41Å; E3468-R3537 IonicContact OE2-NH2 2.94Å; K3533-R3537 WeakPolarHBondContact O-CB 3.37Å; K3533-R3537 PolarHBondContact O-N 3.15Å; T3534-R3537 PolarHBondContact O-N 3.15Å; V3535-R3537 VanDerWaalsContact C-N 3.34Å; V3535-R3537 PolarHBondContact O-N 2.92Å; R3537-I3539 VanDerWaalsContact C-N 3.28Å; R3537-I3539 PolarHBondContact O-N 3.27Å; R3537-R3540 WeakPolarHBondContact O-CA 3.25Å; R3537-R3540 WeakPolarHBondContact O-CB 3.37Å; R3537-R3540 PolarHBondContact O-N 3.21Å; R3537-R3540 VanDerWaalsContact O-N 3.07Å; R3537-V3541 HydrophobicContact CG-CG2 4.16Å; R3537-V3541 WeakPolarHBondContact O-CG2 3.47Å; R3537-V3541 PolarHBondContact O-N 2.99Å |
| 3538 | T | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.9 | -43.4 | 177 | -54.3 | 0 | 0 | 0 | 0 | 110.8 | L3464 L3523 G3526 F3527 T3534 V3535 A3536 R3540 V3541 L3542 | L3464-T3538 VanDerWaalsContact CD2-OG1 3.31Å; L3464-T3538 WeakPolarHBondContact CD2-OG1 3.39Å; L3523-T3538 HydrophobicContact CB-CG2 4.49Å; L3523-T3538 VanDerWaalsContact O-CG2 3.24Å; L3523-T3538 WeakPolarHBondContact O-CG2 3.39Å; G3526-T3538 WeakPolarHBondContact CA-OG1 3.4Å; F3527-T3538 HydrophobicContact CD2-CG2 4.4Å; F3527-T3538 HydrophobicContact CE1-CG2 4.48Å; F3527-T3538 HydrophobicContact CE2-CG2 4.21Å; F3527-T3538 HydrophobicContact CZ-CG2 4.28Å; T3534-T3538 WeakPolarHBondContact O-CB 3.29Å; T3534-T3538 PolarHBondContact O-N 3.34Å; T3534-T3538 PolarHBondContact O-OG1 3.12Å; V3535-T3538 VanDerWaalsContact O-CB 3.32Å; V3535-T3538 WeakPolarHBondContact O-CB 3.3Å; V3535-T3538 PolarHBondContact O-N 3.21Å; V3535-T3538 VanDerWaalsContact O-N 3.12Å; A3536-T3538 VanDerWaalsContact C-N 3.34Å; A3536-T3538 PolarHBondContact O-N 3.16Å; T3538-R3540 VanDerWaalsContact C-N 3.35Å; T3538-R3540 PolarHBondContact O-N 3.27Å; T3538-V3541 PolarHBondContact O-N 3.15Å; T3538-L3542 HydrophobicContact CG2-CD1 4.22Å; T3538-L3542 WeakPolarHBondContact O-CB 3.23Å; T3538-L3542 WeakPolarHBondContact O-CG 3.37Å; T3538-L3542 PolarHBondContact O-N 3.24Å |
| 3539 | I | 95.8 | Very high | 93.6 | Very high | 46.6667 Ų | 46.6667 | 41.6 Ų | 41.6 | 24% | 0.239 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63 | -40.5 | 175 | -61.2 | 169.1 | 0 | 0 | 0 | 111.5 | F3527 V3535 A3536 R3537 N3543 L3571 V3574 | F3527-I3539 HydrophobicContact CE1-CD1 4.34Å; F3527-I3539 HydrophobicContact CE1-CG1 3.7Å; F3527-I3539 HydrophobicContact CZ-CG1 4.38Å; V3535-I3539 WeakPolarHBondContact O-CG1 3.39Å; V3535-I3539 PolarHBondContact O-N 3.15Å; V3535-I3539 VanDerWaalsContact O-N 3.15Å; A3536-I3539 WeakPolarHBondContact O-CB 3.28Å; A3536-I3539 PolarHBondContact O-N 3.24Å; R3537-I3539 VanDerWaalsContact C-N 3.28Å; R3537-I3539 PolarHBondContact O-N 3.27Å; I3539-N3543 WeakPolarHBondContact O-CB 3.28Å; I3539-N3543 PolarHBondContact O-N 3.04Å; I3539-N3543 VanDerWaalsContact O-N 3.07Å; I3539-N3543 PolarHBondContact O-ND2 2.94Å; I3539-L3571 HydrophobicContact CG2-CD2 4.15Å; I3539-V3574 HydrophobicContact CD1-CB 4.01Å; I3539-V3574 HydrophobicContact CD1-CG1 4.29Å; I3539-V3574 HydrophobicContact CD1-CG2 4.27Å; I3539-V3574 HydrophobicContact CG1-CB 4.38Å; I3539-V3574 HydrophobicContact CG1-CG2 4.07Å |
| 3540 | R | 95.7 | Very high | 93.1 | Very high | 125 Ų | 125 | 41.5 Ų | 41.5 | 47% | 0.472 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.1 | -46.1 | 176.1 | -66.5 | -167.6 | -52.7 | -161.7 | 3.9 | 112.3 | E3468 A3536 R3537 T3538 L3542 N3543 L3544 | E3468-R3540 VanDerWaalsContact CD-NH2 3.26Å; E3468-R3540 IonicContact OE1-CZ 3.01Å; E3468-R3540 IonicContact OE1-NE 2.66Å; E3468-R3540 PolarHBondContact OE1-NE 3.15Å; E3468-R3540 IonicContact OE1-NH1 3.71Å; E3468-R3540 PolarHBondContact OE1-NH1 3.27Å; E3468-R3540 IonicContact OE1-NH2 2.71Å; E3468-R3540 PolarHBondContact OE1-NH2 3.42Å; E3468-R3540 VanDerWaalsContact OE1-NH2 3.08Å; E3468-R3540 IonicContact OE2-CZ 3.67Å; E3468-R3540 IonicContact OE2-NH1 2.59Å; E3468-R3540 PolarHBondContact OE2-NH1 3.1Å; E3468-R3540 IonicContact OE2-NH2 3.1Å; E3468-R3540 PolarHBondContact OE2-NH2 3.43Å; A3536-R3540 WeakPolarHBondContact O-CG 3.45Å; A3536-R3540 PolarHBondContact O-N 3.21Å; A3536-R3540 VanDerWaalsContact O-N 3.13Å; R3537-R3540 WeakPolarHBondContact O-CA 3.25Å; R3537-R3540 WeakPolarHBondContact O-CB 3.37Å; R3537-R3540 PolarHBondContact O-N 3.21Å; R3537-R3540 VanDerWaalsContact O-N 3.07Å; T3538-R3540 VanDerWaalsContact C-N 3.35Å; T3538-R3540 PolarHBondContact O-N 3.27Å; R3540-L3542 VanDerWaalsContact C-N 3.35Å; R3540-L3542 PolarHBondContact O-N 3Å; R3540-N3543 CarbonylContact O-C 3.59Å; R3540-N3543 WeakPolarHBondContact O-CA 3.29Å; R3540-N3543 WeakPolarHBondContact O-CB 3.32Å; R3540-N3543 PolarHBondContact O-N 3.07Å; R3540-N3543 VanDerWaalsContact O-N 3.13Å; R3540-L3544 WeakPolarHBondContact O-CB 3.32Å; R3540-L3544 PolarHBondContact O-N 3.08Å |
| 3541 | V | 96.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 178.5 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | L3464 L3467 E3468 L3471 L3523 R3537 T3538 N3543 L3544 L3545 | L3464-V3541 HydrophobicContact CD1-CB 4.41Å; L3464-V3541 HydrophobicContact CD1-CG1 4.43Å; L3464-V3541 HydrophobicContact CD1-CG2 4.09Å; L3464-V3541 HydrophobicContact CG-CG2 4.47Å; L3467-V3541 HydrophobicContact CD2-CG1 4.42Å; E3468-V3541 HydrophobicContact CB-CG2 3.67Å; E3468-V3541 HydrophobicContact CG-CG2 4.06Å; L3471-V3541 HydrophobicContact CD1-CG1 4.27Å; L3523-V3541 HydrophobicContact CD1-CG1 4.1Å; L3523-V3541 HydrophobicContact CD2-CG1 4.02Å; R3537-V3541 HydrophobicContact CG-CG2 4.16Å; R3537-V3541 WeakPolarHBondContact O-CG2 3.47Å; R3537-V3541 PolarHBondContact O-N 2.99Å; T3538-V3541 PolarHBondContact O-N 3.15Å; V3541-N3543 VanDerWaalsContact C-N 3.3Å; V3541-N3543 PolarHBondContact O-N 3.22Å; V3541-L3544 PolarHBondContact O-N 3.22Å; V3541-L3545 HydrophobicContact CG1-CD1 3.93Å; V3541-L3545 HydrophobicContact CG1-CG 4.45Å; V3541-L3545 WeakPolarHBondContact O-CB 3.43Å; V3541-L3545 VanDerWaalsContact O-CG 3.31Å; V3541-L3545 WeakPolarHBondContact O-CG 3.27Å; V3541-L3545 PolarHBondContact O-N 3.27Å |
| 3542 | L | 95.9 | Very high | 91.7 | Very high | 0.666667 Ų | 0.666667 | 39.2 Ų | 39.2 | 0% | 0.003 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.3 | -37.6 | 173.5 | -72.9 | 168.9 | 0 | 0 | 0 | 112.5 | V3520 L3523 F3527 T3538 R3540 L3546 Y3567 A3570 L3571 | V3520-L3542 HydrophobicContact CG2-CD2 4.11Å; L3523-L3542 HydrophobicContact CB-CD2 4.29Å; L3523-L3542 HydrophobicContact CD1-CD2 3.71Å; L3523-L3542 HydrophobicContact CD1-CG 4.26Å; F3527-L3542 HydrophobicContact CE2-CD1 3.81Å; F3527-L3542 HydrophobicContact CZ-CD1 3.66Å; T3538-L3542 HydrophobicContact CG2-CD1 4.22Å; T3538-L3542 WeakPolarHBondContact O-CB 3.23Å; T3538-L3542 WeakPolarHBondContact O-CG 3.37Å; T3538-L3542 PolarHBondContact O-N 3.24Å; R3540-L3542 VanDerWaalsContact C-N 3.35Å; R3540-L3542 PolarHBondContact O-N 3Å; L3542-L3546 VanDerWaalsContact O-CB 3.31Å; L3542-L3546 WeakPolarHBondContact O-CB 3.36Å; L3542-L3546 PolarHBondContact O-N 3.23Å; L3542-Y3567 HydrophobicContact CD2-CD1 4.12Å; L3542-A3570 HydrophobicContact CD1-CB 3.98Å; L3542-A3570 HydrophobicContact CD2-CB 4.19Å; L3542-L3571 HydrophobicContact CB-CD1 4.19Å; L3542-L3571 HydrophobicContact CB-CD2 3.73Å; L3542-L3571 HydrophobicContact CB-CG 3.91Å; L3542-L3571 HydrophobicContact CD1-CD2 4.23Å; L3542-L3571 HydrophobicContact CD1-CG 4.47Å |
| 3543 | N | 93.7 | Very high | 90.8 | Very high | 37.3333 Ų | 37.3333 | 37.4 Ų | 37.4 | 20% | 0.2 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.8 | -31.4 | 174.7 | -90.2 | -82.9 | 0 | 0 | 0 | 113.6 | I3539 R3540 V3541 G3547 K3557 L3571 | I3539-N3543 WeakPolarHBondContact O-CB 3.28Å; I3539-N3543 PolarHBondContact O-N 3.04Å; I3539-N3543 VanDerWaalsContact O-N 3.07Å; I3539-N3543 PolarHBondContact O-ND2 2.94Å; R3540-N3543 CarbonylContact O-C 3.59Å; R3540-N3543 WeakPolarHBondContact O-CA 3.29Å; R3540-N3543 WeakPolarHBondContact O-CB 3.32Å; R3540-N3543 PolarHBondContact O-N 3.07Å; R3540-N3543 VanDerWaalsContact O-N 3.13Å; V3541-N3543 VanDerWaalsContact C-N 3.3Å; V3541-N3543 PolarHBondContact O-N 3.22Å; N3543-G3547 PolarHBondContact O-N 3.15Å; N3543-K3557 WeakPolarHBondContact O-CE 3.47Å; N3543-K3557 PolarHBondContact O-NZ 2.94Å; N3543-K3557 PolarHBondContact OD1-NZ 3.44Å; N3543-K3557 VanDerWaalsContact OD1-NZ 3.09Å; N3543-L3571 WeakPolarHBondContact ND2-CD2 3.38Å |
| 3544 | L | 93.6 | Very high | 89.7 | Confident | 33.3333 Ų | 33.3333 | 37.5 Ų | 37.5 | 18% | 0.175 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70 | -48.7 | 174.5 | 176.1 | 61.2 | 0 | 0 | 0 | 110.2 | L3471 L3472 R3540 V3541 L3546 G3547 I3548 | L3471-L3544 HydrophobicContact CB-CD2 3.66Å; L3471-L3544 HydrophobicContact CB-CG 4.41Å; L3471-L3544 HydrophobicContact CD1-CD2 4.48Å; L3472-L3544 HydrophobicContact CD2-CD1 3.93Å; L3472-L3544 HydrophobicContact CD2-CD2 3.84Å; L3472-L3544 HydrophobicContact CG-CD2 3.78Å; R3540-L3544 WeakPolarHBondContact O-CB 3.32Å; R3540-L3544 PolarHBondContact O-N 3.08Å; V3541-L3544 PolarHBondContact O-N 3.22Å; L3544-L3546 VanDerWaalsContact C-N 3.33Å; L3544-L3546 PolarHBondContact O-N 3.09Å; L3544-G3547 CarbonylContact O-C 3.57Å; L3544-G3547 WeakPolarHBondContact O-CA 3.44Å; L3544-G3547 PolarHBondContact O-N 2.93Å; L3544-G3547 VanDerWaalsContact O-N 3.08Å; L3544-I3548 HydrophobicContact CD1-CD1 4.01Å; L3544-I3548 HydrophobicContact CD1-CG1 4.32Å; L3544-I3548 HydrophobicContact CG-CD1 3.87Å; L3544-I3548 WeakPolarHBondContact O-CG1 3.35Å; L3544-I3548 PolarHBondContact O-N 3.11Å |
| 3545 | L | 93.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.8 | -41.5 | 175.8 | -73.2 | 168.3 | 0 | 0 | 0 | 112.6 | L3471 L3485 L3519 L3523 V3541 G3547 I3548 A3549 Y3567 | L3471-L3545 HydrophobicContact CD1-CD1 4.45Å; L3471-L3545 HydrophobicContact CD1-CD2 3.62Å; L3471-L3545 HydrophobicContact CD1-CG 3.92Å; L3471-L3545 HydrophobicContact CD2-CD2 3.93Å; L3471-L3545 HydrophobicContact CG-CD2 4.45Å; L3485-L3545 HydrophobicContact CD2-CD2 3.41Å; L3485-L3545 VanDerWaalsContact CD2-CD2 3.41Å; L3519-L3545 HydrophobicContact CD2-CD1 3.79Å; L3519-L3545 HydrophobicContact CD2-CD2 3.78Å; L3519-L3545 HydrophobicContact CD2-CG 4.44Å; L3519-L3545 HydrophobicContact CG-CD1 4.17Å; L3523-L3545 HydrophobicContact CD1-CD1 3.52Å; V3541-L3545 HydrophobicContact CG1-CD1 3.93Å; V3541-L3545 HydrophobicContact CG1-CG 4.45Å; V3541-L3545 WeakPolarHBondContact O-CB 3.43Å; V3541-L3545 VanDerWaalsContact O-CG 3.31Å; V3541-L3545 WeakPolarHBondContact O-CG 3.27Å; V3541-L3545 PolarHBondContact O-N 3.27Å; L3545-G3547 VanDerWaalsContact C-N 3.29Å; L3545-G3547 PolarHBondContact O-N 3.12Å; L3545-I3548 PolarHBondContact O-N 3.37Å; L3545-A3549 WeakPolarHBondContact O-CB 3.34Å; L3545-A3549 PolarHBondContact O-N 3.2Å; L3545-Y3567 HydrophobicContact CB-CD1 4.05Å; L3545-Y3567 HydrophobicContact CB-CE1 3.74Å; L3545-Y3567 HydrophobicContact CB-CE2 4.38Å; L3545-Y3567 HydrophobicContact CB-CG 4.5Å; L3545-Y3567 HydrophobicContact CD1-CD1 4.47Å; L3545-Y3567 HydrophobicContact CD1-CE1 3.95Å; L3545-Y3567 HydrophobicContact CG-CE1 4.37Å |
| 3546 | L | 90.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.9 | -33.1 | 173.4 | -178.1 | 63.8 | 0 | 0 | 0 | 112.5 | L3542 L3544 A3550 K3557 Y3558 Y3567 L3568 L3571 | L3542-L3546 VanDerWaalsContact O-CB 3.31Å; L3542-L3546 WeakPolarHBondContact O-CB 3.36Å; L3542-L3546 PolarHBondContact O-N 3.23Å; L3544-L3546 VanDerWaalsContact C-N 3.33Å; L3544-L3546 PolarHBondContact O-N 3.09Å; L3546-A3550 PolarHBondContact O-N 3.04Å; L3546-K3557 VanDerWaalsContact CD1-O 3.27Å; L3546-K3557 WeakPolarHBondContact CD1-O 3.37Å; L3546-K3557 HydrophobicContact CD2-CG 4.18Å; L3546-K3557 HydrophobicContact CG-CB 4.44Å; L3546-K3557 HydrophobicContact CG-CG 3.87Å; L3546-K3557 VanDerWaalsContact CG-O 3.32Å; L3546-K3557 WeakPolarHBondContact CG-O 3.26Å; L3546-Y3558 HydrophobicContact CD2-CD1 4.29Å; L3546-Y3558 HydrophobicContact CD2-CE1 4.31Å; L3546-Y3567 HydrophobicContact CB-CD2 4.46Å; L3546-Y3567 HydrophobicContact CD1-CD2 4.29Å; L3546-L3568 HydrophobicContact CD1-CD2 4.06Å; L3546-L3568 HydrophobicContact CD1-CG 3.98Å; L3546-L3568 HydrophobicContact CD2-CD2 3.67Å; L3546-L3568 HydrophobicContact CD2-CG 4.41Å; L3546-L3571 HydrophobicContact CD2-CD1 3.97Å |
| 3547 | G | 88.9 | Confident | 86.8 | Confident | 24 Ų | 24 | 46.3 Ų | 46.3 | 25% | 0.247 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.6 | -46.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N3543 L3544 L3545 A3549 A3550 K3551 | N3543-G3547 PolarHBondContact O-N 3.15Å; L3544-G3547 CarbonylContact O-C 3.57Å; L3544-G3547 WeakPolarHBondContact O-CA 3.44Å; L3544-G3547 PolarHBondContact O-N 2.93Å; L3544-G3547 VanDerWaalsContact O-N 3.08Å; L3545-G3547 VanDerWaalsContact C-N 3.29Å; L3545-G3547 PolarHBondContact O-N 3.12Å; G3547-A3549 PolarHBondContact O-N 3.32Å; G3547-A3550 WeakPolarHBondContact O-CB 3.4Å; G3547-A3550 PolarHBondContact O-N 3.2Å; G3547-A3550 VanDerWaalsContact O-N 3.1Å; G3547-K3551 PolarHBondContact O-N 3.08Å |
| 3548 | I | 88.8 | Confident | 86.1 | Confident | 2.66667 Ų | 2.66667 | 45 Ų | 45 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.1 | -46.6 | 177.8 | -71 | 167.8 | 0 | 0 | 0 | 110.8 | L3471 F3480 L3485 L3544 L3545 A3550 K3551 P3552 | L3471-I3548 HydrophobicContact CB-CD1 4.16Å; L3471-I3548 HydrophobicContact CD2-CD1 4.14Å; F3480-I3548 HydrophobicContact CB-CG2 3.89Å; F3480-I3548 HydrophobicContact CD1-CG2 4.02Å; F3480-I3548 HydrophobicContact CD2-CB 4.48Å; F3480-I3548 HydrophobicContact CD2-CD1 4Å; F3480-I3548 HydrophobicContact CD2-CG1 4.03Å; F3480-I3548 HydrophobicContact CD2-CG2 3.65Å; F3480-I3548 HydrophobicContact CE1-CG2 4.5Å; F3480-I3548 HydrophobicContact CE2-CD1 3.86Å; F3480-I3548 HydrophobicContact CE2-CG1 4.4Å; F3480-I3548 HydrophobicContact CE2-CG2 4.16Å; F3480-I3548 HydrophobicContact CG-CG2 3.58Å; L3485-I3548 HydrophobicContact CB-CG2 4.16Å; L3485-I3548 HydrophobicContact CD2-CG2 4.49Å; L3544-I3548 HydrophobicContact CD1-CD1 4.01Å; L3544-I3548 HydrophobicContact CD1-CG1 4.32Å; L3544-I3548 HydrophobicContact CG-CD1 3.87Å; L3544-I3548 WeakPolarHBondContact O-CG1 3.35Å; L3544-I3548 PolarHBondContact O-N 3.11Å; L3545-I3548 PolarHBondContact O-N 3.37Å; I3548-A3550 PolarHBondContact O-N 2.98Å; I3548-K3551 PolarHBondContact O-N 3.13Å; I3548-K3551 VanDerWaalsContact O-N 3.1Å; I3548-P3552 VanDerWaalsContact O-CD 3.32Å; I3548-P3552 WeakPolarHBondContact O-CD 3.44Å |
| 3549 | A | 87 | Confident | 85.3 | Confident | 8.66667 Ų | 8.66667 | 48.9 Ų | 48.9 | 7% | 0.072 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.4 | -21.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L3545 G3547 Y3567 | L3545-A3549 WeakPolarHBondContact O-CB 3.34Å; L3545-A3549 PolarHBondContact O-N 3.2Å; G3547-A3549 PolarHBondContact O-N 3.32Å; A3549-Y3567 HydrophobicContact CB-CE2 4.08Å |
| 3550 | A | 83.8 | Confident | 84.6 | Confident | 18 Ų | 18 | 48.3 Ų | 48.3 | 15% | 0.149 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -82.7 | -21.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | L3546 G3547 I3548 N3554 R3555 K3557 | L3546-A3550 PolarHBondContact O-N 3.04Å; G3547-A3550 WeakPolarHBondContact O-CB 3.4Å; G3547-A3550 PolarHBondContact O-N 3.2Å; G3547-A3550 VanDerWaalsContact O-N 3.1Å; I3548-A3550 PolarHBondContact O-N 2.98Å; A3550-N3554 PolarHBondContact O-N 3.13Å; A3550-N3554 VanDerWaalsContact O-N 3.12Å; A3550-R3555 PolarHBondContact O-N 3.11Å; A3550-K3557 HydrophobicContact CB-CB 3.93Å |
| 3551 | K | 81.6 | Confident | 84 | Confident | 74 Ų | 74 | 43.7 Ų | 43.7 | 32% | 0.322 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -53.6 | -173.7 | -74.3 | -172.1 | 176 | -174 | 0 | 114.3 | D3475 E3481 G3547 I3548 I3553 N3554 | D3475-K3551 WeakPolarHBondContact OD1-CE 3.28Å; D3475-K3551 IonicContact OD1-NZ 2.77Å; D3475-K3551 PolarHBondContact OD1-NZ 3.27Å; D3475-K3551 IonicContact OD2-NZ 2.94Å; D3475-K3551 PolarHBondContact OD2-NZ 3.08Å; E3481-K3551 WeakPolarHBondContact OE1-CD 3.29Å; E3481-K3551 WeakPolarHBondContact OE1-CE 3.01Å; E3481-K3551 IonicContact OE1-NZ 3.7Å; E3481-K3551 PolarHBondContact OE1-NZ 3.42Å; G3547-K3551 PolarHBondContact O-N 3.08Å; I3548-K3551 PolarHBondContact O-N 3.13Å; I3548-K3551 VanDerWaalsContact O-N 3.1Å; K3551-I3553 PolarHBondContact O-N 3.23Å; K3551-I3553 VanDerWaalsContact O-N 3.1Å; K3551-N3554 PolarHBondContact O-N 3.2Å |
| 3552 | P | 73.6 | Confident | 83.3 | Confident | 42.3333 Ų | 42.3333 | 49.5 Ų | 49.5 | 28% | 0.275 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -24.7 | -173.9 | -21.5 | 32.3 | 0 | 0 | 0 | 113.7 | I3548 | I3548-P3552 VanDerWaalsContact O-CD 3.32Å; I3548-P3552 WeakPolarHBondContact O-CD 3.44Å |
| 3553 | I | 72.5 | Confident | 82.7 | Confident | 74.6667 Ų | 74.6667 | 51.8 Ų | 51.8 | 38% | 0.383 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -6.9 | -178.3 | -30.6 | -178 | 0 | 0 | 0 | 111.6 | K3551 R3555 | K3551-I3553 PolarHBondContact O-N 3.23Å; K3551-I3553 VanDerWaalsContact O-N 3.1Å; I3553-R3555 VanDerWaalsContact C-N 3.3Å; I3553-R3555 HydrophobicContact CB-CG 4.23Å; I3553-R3555 HydrophobicContact CG2-CG 4.11Å; I3553-R3555 VanDerWaalsContact CG2-NE 3.33Å; I3553-R3555 VanDerWaalsContact O-CG 3.27Å; I3553-R3555 WeakPolarHBondContact O-CG 3.41Å; I3553-R3555 PolarHBondContact O-N 3.42Å |
| 3554 | N | 72.1 | Confident | 82.5 | Confident | 154 Ų | 154 | 50.3 Ų | 50.3 | 82% | 0.824 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 50.9 | -177.2 | -136.4 | -14.4 | 0 | 0 | 0 | 113.8 | A3550 K3551 | A3550-N3554 PolarHBondContact O-N 3.13Å; A3550-N3554 VanDerWaalsContact O-N 3.12Å; K3551-N3554 PolarHBondContact O-N 3.2Å |
| 3555 | R | 69.5 | Low | 82.3 | Confident | 132 Ų | 132 | 49.8 Ų | 49.8 | 50% | 0.498 | 25% | 0.254 | S | S | . | . | trans | -113.4 | 166.4 | -178.4 | -66.2 | -175.5 | -179 | -169.5 | 2.3 | 112.3 | A3550 I3553 K3557 Q3559 | A3550-R3555 PolarHBondContact O-N 3.11Å; I3553-R3555 VanDerWaalsContact C-N 3.3Å; I3553-R3555 HydrophobicContact CB-CG 4.23Å; I3553-R3555 HydrophobicContact CG2-CG 4.11Å; I3553-R3555 VanDerWaalsContact CG2-NE 3.33Å; I3553-R3555 VanDerWaalsContact O-CG 3.27Å; I3553-R3555 WeakPolarHBondContact O-CG 3.41Å; I3553-R3555 PolarHBondContact O-N 3.42Å; R3555-K3557 PolarHBondContact O-N 2.86Å; R3555-Q3559 VanDerWaalsContact CD-OE1 3.28Å; R3555-Q3559 VanDerWaalsContact CG-OE1 3.3Å | ||
| 3556 | D | 77.9 | Confident | 82.2 | Confident | 71 Ų | 71 | 49.8 Ų | 49.8 | 38% | 0.38 | 25% | 0.254 | S | S | . | . | trans | -59.1 | 133.4 | 168.9 | -179 | 21.8 | 0 | 0 | 0 | 109.5 | Y3558 Q3559 R3581 | D3556-Y3558 PolarHBondContact O-N 3.41Å; D3556-Y3558 PolarHBondContact OD1-N 2.85Å; D3556-Y3558 VanDerWaalsContact OD1-N 3.16Å; D3556-Q3559 WeakPolarHBondContact O-CB 3.41Å; D3556-Q3559 PolarHBondContact O-N 3.3Å; D3556-R3581 IonicContact OD1-NH1 3.34Å; D3556-R3581 PolarHBondContact OD1-NH1 3.07Å; D3556-R3581 IonicContact OD2-CZ 3.99Å; D3556-R3581 IonicContact OD2-NH1 2.78Å; D3556-R3581 PolarHBondContact OD2-NH1 3.27Å | ||
| 3557 | K | 78.2 | Confident | 82.4 | Confident | 63 Ų | 63 | 49.8 Ų | 49.8 | 27% | 0.274 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -24.4 | 179.4 | 150.5 | 175.2 | 178.2 | 179.4 | 0 | 113.3 | N3543 L3546 A3550 R3555 | N3543-K3557 WeakPolarHBondContact O-CE 3.47Å; N3543-K3557 PolarHBondContact O-NZ 2.94Å; N3543-K3557 PolarHBondContact OD1-NZ 3.44Å; N3543-K3557 VanDerWaalsContact OD1-NZ 3.09Å; L3546-K3557 VanDerWaalsContact CD1-O 3.27Å; L3546-K3557 WeakPolarHBondContact CD1-O 3.37Å; L3546-K3557 HydrophobicContact CD2-CG 4.18Å; L3546-K3557 HydrophobicContact CG-CB 4.44Å; L3546-K3557 HydrophobicContact CG-CG 3.87Å; L3546-K3557 VanDerWaalsContact CG-O 3.32Å; L3546-K3557 WeakPolarHBondContact CG-O 3.26Å; A3550-K3557 HydrophobicContact CB-CB 3.93Å; R3555-K3557 PolarHBondContact O-N 2.86Å |
| 3558 | Y | 82 | Confident | 82.5 | Confident | 35.6667 Ų | 35.6667 | 48.8 Ų | 48.8 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 5.7 | -179.3 | -56.3 | -75.2 | 0 | 0 | 0 | 114 | L3546 D3556 V3560 L3568 E3577 V3578 R3581 | L3546-Y3558 HydrophobicContact CD2-CD1 4.29Å; L3546-Y3558 HydrophobicContact CD2-CE1 4.31Å; D3556-Y3558 PolarHBondContact O-N 3.41Å; D3556-Y3558 PolarHBondContact OD1-N 2.85Å; D3556-Y3558 VanDerWaalsContact OD1-N 3.16Å; Y3558-V3560 PolarHBondContact O-N 3.18Å; Y3558-L3568 HydrophobicContact CD1-CD2 4.27Å; Y3558-E3577 HydrophobicContact CE1-CG 4.22Å; Y3558-E3577 HydrophobicContact CE2-CG 4.13Å; Y3558-V3578 HydrophobicContact CD1-CG2 4.1Å; Y3558-V3578 HydrophobicContact CE1-CG2 3.97Å; Y3558-R3581 VanDerWaalsContact CB-CD 3.49Å; Y3558-R3581 HydrophobicContact CD2-CG 3.86Å; Y3558-R3581 HydrophobicContact CE2-CG 4.44Å; Y3558-R3581 HydrophobicContact CG-CB 4.35Å; Y3558-R3581 HydrophobicContact CG-CG 3.94Å |
| 3559 | Q | 80.2 | Confident | 82.7 | Confident | 82 Ų | 82 | 50 Ų | 50 | 38% | 0.383 | 25% | 0.25 | S | S | . | . | trans | -70.5 | 128.4 | 173.5 | -171 | 173.1 | 15.8 | 0 | 0 | 110.3 | R3555 D3556 S3561 S3564 | R3555-Q3559 VanDerWaalsContact CD-OE1 3.28Å; R3555-Q3559 VanDerWaalsContact CG-OE1 3.3Å; D3556-Q3559 WeakPolarHBondContact O-CB 3.41Å; D3556-Q3559 PolarHBondContact O-N 3.3Å; Q3559-S3561 PolarHBondContact O-N 3.14Å; Q3559-S3564 PolarHBondContact O-OG 3.1Å | ||
| 3560 | V | 81.3 | Confident | 83 | Confident | 34.6667 Ų | 34.6667 | 49.8 Ų | 49.8 | 21% | 0.21 | 25% | 0.248 | C | C | . | . | trans | -69.8 | 126.7 | 176.7 | -172.8 | 0 | 0 | 0 | 0 | 109.8 | Y3558 S3564 I3565 L3568 I3824 | Y3558-V3560 PolarHBondContact O-N 3.18Å; V3560-S3564 WeakPolarHBondContact CA-OG 3.3Å; V3560-I3565 HydrophobicContact CG1-CB 4.3Å; V3560-I3565 HydrophobicContact CG1-CD1 4.11Å; V3560-I3565 HydrophobicContact CG1-CG1 4.32Å; V3560-L3568 HydrophobicContact CG2-CD1 4.1Å; V3560-I3824 HydrophobicContact CB-CD1 3.99Å; V3560-I3824 HydrophobicContact CG1-CD1 4.22Å; V3560-I3824 HydrophobicContact CG1-CG2 4.23Å | ||
| 3561 | S | 82.7 | Confident | 83.4 | Confident | 27.6667 Ų | 27.6667 | 48.9 Ų | 48.9 | 19% | 0.193 | 24% | 0.241 | C | C | . | . | trans | -145.6 | 169.5 | 174.6 | 77.7 | 0 | 0 | 0 | 0 | 109.6 | Q3559 E3563 S3564 I3565 | Q3559-S3561 PolarHBondContact O-N 3.14Å; S3561-E3563 PolarHBondContact O-N 2.93Å; S3561-E3563 PolarHBondContact OG-N 3.03Å; S3561-S3564 PolarHBondContact N-OG 2.86Å; S3561-S3564 PolarHBondContact O-N 2.93Å; S3561-S3564 PolarHBondContact OG-N 3.28Å; S3561-S3564 VanDerWaalsContact OG-N 3.08Å; S3561-S3564 PolarHBondContact OG-OG 3.04Å; S3561-I3565 VanDerWaalsContact O-CB 3.3Å; S3561-I3565 WeakPolarHBondContact O-CB 3.38Å; S3561-I3565 WeakPolarHBondContact O-CG2 3.36Å; S3561-I3565 PolarHBondContact O-N 3.29Å | ||
| 3562 | H | 82.1 | Confident | 83.9 | Confident | 123 Ų | 123 | 46.5 Ų | 46.5 | 57% | 0.569 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -27.1 | 173.9 | -68.5 | -83.8 | 0 | 0 | 0 | 113.4 | I3824 | H3562-I3824 PolarHBondContact CE1-O 2.83Å; H3562-I3824 PolarHBondContact NE2-O 2.76Å |
| 3563 | E | 83.1 | Confident | 84.7 | Confident | 48 Ų | 48 | 46.3 Ų | 46.3 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -37.6 | 177.1 | -58.6 | -168.2 | 164.1 | 0 | 0 | 112.4 | H3516 S3561 Y3567 | H3516-E3563 WeakPolarHBondContact NE2-CG 3.49Å; H3516-E3563 IonicContact NE2-OE1 3.77Å; S3561-E3563 PolarHBondContact O-N 2.93Å; S3561-E3563 PolarHBondContact OG-N 3.03Å; E3563-Y3567 WeakPolarHBondContact O-CD2 3.43Å; E3563-Y3567 WeakPolarHBondContact O-CE2 3.44Å |
| 3564 | S | 88 | Confident | 85.5 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 5% | 0.049 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -25.7 | -175.3 | 72.8 | 0 | 0 | 0 | 0 | 114.2 | Q3559 V3560 S3561 A3566 Y3567 L3568 | Q3559-S3564 PolarHBondContact O-OG 3.1Å; V3560-S3564 WeakPolarHBondContact CA-OG 3.3Å; S3561-S3564 PolarHBondContact N-OG 2.86Å; S3561-S3564 PolarHBondContact O-N 2.93Å; S3561-S3564 PolarHBondContact OG-N 3.28Å; S3561-S3564 VanDerWaalsContact OG-N 3.08Å; S3561-S3564 PolarHBondContact OG-OG 3.04Å; S3564-A3566 VanDerWaalsContact C-N 3.29Å; S3564-A3566 PolarHBondContact O-N 3.15Å; S3564-Y3567 PolarHBondContact O-N 3.23Å; S3564-Y3567 VanDerWaalsContact O-N 3.14Å; S3564-L3568 WeakPolarHBondContact O-CG 3.35Å; S3564-L3568 PolarHBondContact O-N 3.15Å |
| 3565 | I | 90.8 | Very high | 86.3 | Confident | 22.3333 Ų | 22.3333 | 38.6 Ų | 38.6 | 12% | 0.115 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.9 | -39.5 | -173.3 | -173.9 | 95.5 | 0 | 0 | 0 | 113.1 | F3517 V3560 S3561 Y3567 L3568 T3569 L3819 L3825 T3830 T3834 | F3517-I3565 HydrophobicContact CE2-CG2 3.91Å; F3517-I3565 HydrophobicContact CZ-CG2 3.96Å; V3560-I3565 HydrophobicContact CG1-CB 4.3Å; V3560-I3565 HydrophobicContact CG1-CD1 4.11Å; V3560-I3565 HydrophobicContact CG1-CG1 4.32Å; S3561-I3565 VanDerWaalsContact O-CB 3.3Å; S3561-I3565 WeakPolarHBondContact O-CB 3.38Å; S3561-I3565 WeakPolarHBondContact O-CG2 3.36Å; S3561-I3565 PolarHBondContact O-N 3.29Å; I3565-Y3567 PolarHBondContact O-N 3.03Å; I3565-L3568 PolarHBondContact O-N 3.06Å; I3565-T3569 VanDerWaalsContact O-CB 3.27Å; I3565-T3569 WeakPolarHBondContact O-CB 3.33Å; I3565-T3569 PolarHBondContact O-N 3.13Å; I3565-T3569 PolarHBondContact O-OG1 3.22Å; I3565-L3819 HydrophobicContact CD1-CD1 3.76Å; I3565-L3819 HydrophobicContact CD1-CG 4.01Å; I3565-L3819 WeakPolarHBondContact CD1-O 3.33Å; I3565-L3825 HydrophobicContact CB-CD2 4.41Å; I3565-L3825 HydrophobicContact CD1-CD1 4.3Å; I3565-L3825 HydrophobicContact CD1-CD2 4.28Å; I3565-L3825 HydrophobicContact CG1-CD2 3.93Å; I3565-L3825 HydrophobicContact CG2-CD2 4.44Å; I3565-T3830 HydrophobicContact CG2-CG2 4.43Å; I3565-T3834 HydrophobicContact CD1-CG2 4.2Å; I3565-T3834 HydrophobicContact CG1-CG2 4.02Å |
| 3566 | A | 92.2 | Very high | 87 | Confident | 0.666667 Ų | 0.666667 | 38.2 Ų | 38.2 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62 | -47.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | H3516 F3517 V3520 S3564 T3569 A3570 | H3516-A3566 HydrophobicContact CB-CB 4.09Å; F3517-A3566 HydrophobicContact CD1-CB 3.9Å; F3517-A3566 HydrophobicContact CD2-CB 3.93Å; F3517-A3566 HydrophobicContact CE1-CB 3.92Å; F3517-A3566 HydrophobicContact CE2-CB 3.95Å; F3517-A3566 HydrophobicContact CG-CB 3.91Å; F3517-A3566 HydrophobicContact CZ-CB 3.95Å; V3520-A3566 HydrophobicContact CB-CB 4.41Å; V3520-A3566 HydrophobicContact CG2-CB 3.88Å; S3564-A3566 VanDerWaalsContact C-N 3.29Å; S3564-A3566 PolarHBondContact O-N 3.15Å; A3566-T3569 PolarHBondContact O-N 3.44Å; A3566-A3570 WeakPolarHBondContact O-CB 3.32Å; A3566-A3570 PolarHBondContact O-N 3.2Å; A3566-A3570 VanDerWaalsContact O-N 3.12Å |
| 3567 | Y | 93.7 | Very high | 87.3 | Confident | 0.333333 Ų | 0.333333 | 37.7 Ų | 37.7 | 0% | 0.001 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.9 | -40.2 | 179.8 | -48.5 | -61.3 | 0 | 0 | 0 | 112.1 | H3516 L3519 V3520 L3542 L3545 L3546 A3549 E3563 S3564 I3565 T3569 A3570 L3571 | H3516-Y3567 HydrophobicContact CB-CE2 4.3Å; H3516-Y3567 AromaticContact ND1-CE2 3.66Å; H3516-Y3567 WeakPolarHBondContact ND1-CE2 3.49Å; H3516-Y3567 AromaticContact ND1-CZ 3.55Å; H3516-Y3567 PolarHBondContact ND1-OH 2.97Å; L3519-Y3567 HydrophobicContact CD2-CE1 4.41Å; V3520-Y3567 HydrophobicContact CG2-CD1 3.44Å; V3520-Y3567 VanDerWaalsContact CG2-CD1 3.47Å; V3520-Y3567 HydrophobicContact CG2-CE1 3.79Å; V3520-Y3567 HydrophobicContact CG2-CG 4.38Å; L3542-Y3567 HydrophobicContact CD2-CD1 4.12Å; L3545-Y3567 HydrophobicContact CB-CD1 4.05Å; L3545-Y3567 HydrophobicContact CB-CE1 3.74Å; L3545-Y3567 HydrophobicContact CB-CE2 4.38Å; L3545-Y3567 HydrophobicContact CB-CG 4.5Å; L3545-Y3567 HydrophobicContact CD1-CD1 4.47Å; L3545-Y3567 HydrophobicContact CD1-CE1 3.95Å; L3545-Y3567 HydrophobicContact CG-CE1 4.37Å; L3546-Y3567 HydrophobicContact CB-CD2 4.46Å; L3546-Y3567 HydrophobicContact CD1-CD2 4.29Å; A3549-Y3567 HydrophobicContact CB-CE2 4.08Å; E3563-Y3567 WeakPolarHBondContact O-CD2 3.43Å; E3563-Y3567 WeakPolarHBondContact O-CE2 3.44Å; S3564-Y3567 PolarHBondContact O-N 3.23Å; S3564-Y3567 VanDerWaalsContact O-N 3.14Å; I3565-Y3567 PolarHBondContact O-N 3.03Å; Y3567-T3569 VanDerWaalsContact C-N 3.33Å; Y3567-T3569 PolarHBondContact O-N 3.07Å; Y3567-A3570 PolarHBondContact O-N 3.05Å; Y3567-L3571 WeakPolarHBondContact O-CB 3.41Å; Y3567-L3571 WeakPolarHBondContact O-CG 3.45Å; Y3567-L3571 PolarHBondContact O-N 3.42Å |
| 3568 | L | 91.9 | Very high | 87.7 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.4 | -42.1 | 175.8 | -69.9 | 171 | 0 | 0 | 0 | 111.2 | L3546 Y3558 V3560 S3564 I3565 L3571 L3572 V3578 L3819 | L3546-L3568 HydrophobicContact CD1-CD2 4.06Å; L3546-L3568 HydrophobicContact CD1-CG 3.98Å; L3546-L3568 HydrophobicContact CD2-CD2 3.67Å; L3546-L3568 HydrophobicContact CD2-CG 4.41Å; Y3558-L3568 HydrophobicContact CD1-CD2 4.27Å; V3560-L3568 HydrophobicContact CG2-CD1 4.1Å; S3564-L3568 WeakPolarHBondContact O-CG 3.35Å; S3564-L3568 PolarHBondContact O-N 3.15Å; I3565-L3568 PolarHBondContact O-N 3.06Å; L3568-L3571 PolarHBondContact O-N 3.1Å; L3568-L3572 PolarHBondContact O-N 3.18Å; L3568-V3578 HydrophobicContact CD2-CG1 4.14Å; L3568-V3578 HydrophobicContact CD2-CG2 4.15Å; L3568-L3819 HydrophobicContact CB-CD1 3.89Å |
| 3569 | T | 92.2 | Very high | 87.9 | Confident | 28.3333 Ų | 28.3333 | 37.6 Ų | 37.6 | 17% | 0.174 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.2 | -42.6 | 176.8 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | I3565 A3566 Y3567 L3571 L3572 T3834 V3837 L3838 | I3565-T3569 VanDerWaalsContact O-CB 3.27Å; I3565-T3569 WeakPolarHBondContact O-CB 3.33Å; I3565-T3569 PolarHBondContact O-N 3.13Å; I3565-T3569 PolarHBondContact O-OG1 3.22Å; A3566-T3569 PolarHBondContact O-N 3.44Å; Y3567-T3569 VanDerWaalsContact C-N 3.33Å; Y3567-T3569 PolarHBondContact O-N 3.07Å; T3569-L3571 VanDerWaalsContact C-N 3.34Å; T3569-L3571 PolarHBondContact O-N 3.02Å; T3569-L3572 WeakPolarHBondContact O-CB 3.38Å; T3569-L3572 PolarHBondContact O-N 3.34Å; T3569-T3834 HydrophobicContact CG2-CG2 4.29Å; T3569-V3837 HydrophobicContact CG2-CB 4.14Å; T3569-V3837 HydrophobicContact CG2-CG1 3.78Å; T3569-L3838 HydrophobicContact CG2-CD2 3.62Å; T3569-L3838 HydrophobicContact CG2-CG 3.63Å |
| 3570 | A | 93.3 | Very high | 88 | Confident | 3.33333 Ų | 3.33333 | 39.2 Ų | 39.2 | 3% | 0.028 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.4 | -30.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V3520 L3524 L3542 A3566 Y3567 | V3520-A3570 HydrophobicContact CG1-CB 3.77Å; L3524-A3570 HydrophobicContact CD2-CB 4.18Å; L3542-A3570 HydrophobicContact CD1-CB 3.98Å; L3542-A3570 HydrophobicContact CD2-CB 4.19Å; A3566-A3570 WeakPolarHBondContact O-CB 3.32Å; A3566-A3570 PolarHBondContact O-N 3.2Å; A3566-A3570 VanDerWaalsContact O-N 3.12Å; Y3567-A3570 PolarHBondContact O-N 3.05Å |
| 3571 | L | 93.4 | Very high | 88 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -84.5 | -16.2 | 177.9 | -73.5 | 171.8 | 0 | 0 | 0 | 113.9 | I3539 L3542 N3543 L3546 Y3567 L3568 T3569 P3573 V3574 S3575 V3578 | I3539-L3571 HydrophobicContact CG2-CD2 4.15Å; L3542-L3571 HydrophobicContact CB-CD1 4.19Å; L3542-L3571 HydrophobicContact CB-CD2 3.73Å; L3542-L3571 HydrophobicContact CB-CG 3.91Å; L3542-L3571 HydrophobicContact CD1-CD2 4.23Å; L3542-L3571 HydrophobicContact CD1-CG 4.47Å; N3543-L3571 WeakPolarHBondContact ND2-CD2 3.38Å; L3546-L3571 HydrophobicContact CD2-CD1 3.97Å; Y3567-L3571 WeakPolarHBondContact O-CB 3.41Å; Y3567-L3571 WeakPolarHBondContact O-CG 3.45Å; Y3567-L3571 PolarHBondContact O-N 3.42Å; L3568-L3571 PolarHBondContact O-N 3.1Å; T3569-L3571 VanDerWaalsContact C-N 3.34Å; T3569-L3571 PolarHBondContact O-N 3.02Å; L3571-P3573 VanDerWaalsContact C-CD 3.48Å; L3571-V3574 HydrophobicContact CD2-CG2 4.22Å; L3571-V3574 VanDerWaalsContact O-CG2 3.31Å; L3571-V3574 WeakPolarHBondContact O-CG2 3.19Å; L3571-V3574 PolarHBondContact O-N 3.25Å; L3571-V3574 VanDerWaalsContact O-N 3.13Å; L3571-S3575 VanDerWaalsContact O-CB 3.23Å; L3571-S3575 WeakPolarHBondContact O-CB 3.28Å; L3571-S3575 PolarHBondContact O-N 3.08Å; L3571-V3578 HydrophobicContact CB-CG2 4.03Å; L3571-V3578 HydrophobicContact CD1-CG2 4.48Å |
| 3572 | L | 91.1 | Very high | 87.8 | Confident | 23.3333 Ų | 23.3333 | 41 Ų | 41 | 12% | 0.122 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -43.6 | -175.3 | -171.7 | 68.1 | 0 | 0 | 0 | 115.6 | L3568 T3569 V3574 V3578 R3579 L3819 L3838 V3853 F3857 | L3568-L3572 PolarHBondContact O-N 3.18Å; T3569-L3572 WeakPolarHBondContact O-CB 3.38Å; T3569-L3572 PolarHBondContact O-N 3.34Å; L3572-V3574 VanDerWaalsContact C-N 3.32Å; L3572-V3574 PolarHBondContact O-N 3.46Å; L3572-V3578 HydrophobicContact CD1-CG1 4.14Å; L3572-R3579 HydrophobicContact CD1-CG 3.91Å; L3572-R3579 HydrophobicContact CG-CG 4.5Å; L3572-R3579 VanDerWaalsContact O-CD 3.3Å; L3572-R3579 WeakPolarHBondContact O-CD 3.4Å; L3572-R3579 VanDerWaalsContact O-CG 3.25Å; L3572-R3579 WeakPolarHBondContact O-CG 3.37Å; L3572-R3579 PolarHBondContact O-NH2 3.29Å; L3572-R3579 VanDerWaalsContact O-NH2 3.09Å; L3572-L3819 HydrophobicContact CD1-CD2 4.39Å; L3572-L3819 HydrophobicContact CD2-CD2 3.86Å; L3572-L3838 HydrophobicContact CD2-CD2 3.9Å; L3572-V3853 HydrophobicContact CG-CG1 4.25Å; L3572-F3857 HydrophobicContact CD1-CD2 4.46Å; L3572-F3857 HydrophobicContact CD1-CE1 4.24Å; L3572-F3857 HydrophobicContact CD1-CE2 3.89Å; L3572-F3857 HydrophobicContact CD1-CZ 3.76Å; L3572-F3857 HydrophobicContact CD2-CB 4.18Å; L3572-F3857 HydrophobicContact CD2-CD1 3.83Å; L3572-F3857 HydrophobicContact CD2-CD2 3.73Å; L3572-F3857 HydrophobicContact CD2-CE1 4.1Å; L3572-F3857 HydrophobicContact CD2-CE2 4.01Å; L3572-F3857 HydrophobicContact CD2-CG 3.63Å; L3572-F3857 HydrophobicContact CD2-CZ 4.18Å; L3572-F3857 HydrophobicContact CG-CD2 4.41Å; L3572-F3857 HydrophobicContact CG-CE2 4.3Å |
| 3573 | P | 89.5 | Confident | 87.2 | Confident | 39.3333 Ų | 39.3333 | 42.7 Ų | 42.7 | 26% | 0.255 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -29.4 | 178.5 | 11.3 | -12.2 | 0 | 0 | 0 | 113 | L3571 R3579 L3841 E3850 L3854 | L3571-P3573 VanDerWaalsContact C-CD 3.48Å; P3573-R3579 PolarHBondContact O-NH2 3.42Å; P3573-L3841 HydrophobicContact CG-CD1 4.25Å; P3573-L3841 HydrophobicContact CG-CD2 4.42Å; P3573-E3850 HydrophobicContact CB-CB 3.95Å; P3573-E3850 HydrophobicContact CB-CG 3.88Å; P3573-L3854 HydrophobicContact CB-CD1 4.16Å; P3573-L3854 HydrophobicContact CB-CD2 4.34Å; P3573-L3854 HydrophobicContact CB-CG 4.21Å; P3573-L3854 HydrophobicContact CG-CD2 4.31Å |
| 3574 | V | 89.5 | Confident | 86.4 | Confident | 48.3333 Ų | 48.3333 | 44.1 Ų | 44.1 | 29% | 0.293 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -15.9 | -166.7 | -68.1 | 0 | 0 | 0 | 0 | 114.8 | F3527 I3539 L3571 L3572 E3850 | F3527-V3574 HydrophobicContact CD1-CG1 4.35Å; F3527-V3574 HydrophobicContact CE1-CB 4.38Å; F3527-V3574 HydrophobicContact CE1-CG1 3.85Å; F3527-V3574 HydrophobicContact CE1-CG2 3.96Å; F3527-V3574 HydrophobicContact CZ-CG2 4.09Å; I3539-V3574 HydrophobicContact CD1-CB 4.01Å; I3539-V3574 HydrophobicContact CD1-CG1 4.29Å; I3539-V3574 HydrophobicContact CD1-CG2 4.27Å; I3539-V3574 HydrophobicContact CG1-CB 4.38Å; I3539-V3574 HydrophobicContact CG1-CG2 4.07Å; L3571-V3574 HydrophobicContact CD2-CG2 4.22Å; L3571-V3574 VanDerWaalsContact O-CG2 3.31Å; L3571-V3574 WeakPolarHBondContact O-CG2 3.19Å; L3571-V3574 PolarHBondContact O-N 3.25Å; L3571-V3574 VanDerWaalsContact O-N 3.13Å; L3572-V3574 VanDerWaalsContact C-N 3.32Å; L3572-V3574 PolarHBondContact O-N 3.46Å; V3574-E3850 WeakPolarHBondContact CG1-OE1 3.43Å |
| 3575 | S | 89.6 | Confident | 85.2 | Confident | 17.3333 Ų | 17.3333 | 49.8 Ų | 49.8 | 12% | 0.121 | 23% | 0.23 | C | C | . | . | trans | -113.3 | 114.4 | -176.4 | -177 | 0 | 0 | 0 | 0 | 112.3 | L3571 E3577 V3578 R3579 | L3571-S3575 VanDerWaalsContact O-CB 3.23Å; L3571-S3575 WeakPolarHBondContact O-CB 3.28Å; L3571-S3575 PolarHBondContact O-N 3.08Å; S3575-E3577 VanDerWaalsContact C-N 3.29Å; S3575-E3577 PolarHBondContact O-N 3.15Å; S3575-E3577 PolarHBondContact OG-N 3.25Å; S3575-V3578 PolarHBondContact O-N 3.26Å; S3575-V3578 PolarHBondContact OG-N 3.21Å; S3575-R3579 WeakPolarHBondContact O-CG 3.44Å; S3575-R3579 PolarHBondContact O-N 3.21Å; S3575-R3579 VanDerWaalsContact O-N 3.12Å; S3575-R3579 PolarHBondContact O-NE 3.45Å | ||
| 3576 | E | 84.7 | Confident | 83.6 | Confident | 124.667 Ų | 124.667 | 54.4 Ų | 54.4 | 58% | 0.583 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60.6 | -39.4 | 172.8 | -74.7 | -143.8 | 157 | 0 | 0 | 112.9 | V3578 R3579 K3580 | E3576-V3578 VanDerWaalsContact C-N 3.29Å; E3576-V3578 PolarHBondContact O-N 3.42Å; E3576-R3579 VanDerWaalsContact CG-NH2 3.29Å; E3576-R3579 CarbonylContact O-C 3.54Å; E3576-R3579 PolarHBondContact O-N 3.18Å; E3576-R3579 IonicContact OE1-CZ 3.5Å; E3576-R3579 IonicContact OE1-NH2 2.66Å; E3576-R3579 PolarHBondContact OE1-NH2 3.39Å; E3576-K3580 WeakPolarHBondContact O-CB 3.33Å; E3576-K3580 WeakPolarHBondContact O-CD 3.25Å; E3576-K3580 VanDerWaalsContact O-CG 3.26Å; E3576-K3580 WeakPolarHBondContact O-CG 3.18Å; E3576-K3580 PolarHBondContact O-N 3.33Å; E3576-K3580 WeakPolarHBondContact OE2-CE 3.21Å; E3576-K3580 IonicContact OE2-NZ 3.25Å; E3576-K3580 PolarHBondContact OE2-NZ 3.14Å |
| 3577 | E | 84.3 | Confident | 81.7 | Confident | 60.3333 Ų | 60.3333 | 63.5 Ų | 63.5 | 28% | 0.282 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -70.1 | -37.4 | -176.7 | -171.6 | 64.2 | -172.8 | 0 | 0 | 111.2 | Y3558 S3575 R3579 K3580 R3581 | Y3558-E3577 HydrophobicContact CE1-CG 4.22Å; Y3558-E3577 HydrophobicContact CE2-CG 4.13Å; S3575-E3577 VanDerWaalsContact C-N 3.29Å; S3575-E3577 PolarHBondContact O-N 3.15Å; S3575-E3577 PolarHBondContact OG-N 3.25Å; E3577-R3579 VanDerWaalsContact C-N 3.33Å; E3577-K3580 PolarHBondContact O-N 3.29Å; E3577-K3580 WeakPolarHBondContact OE2-CD 3.41Å; E3577-K3580 IonicContact OE2-NZ 3.36Å; E3577-K3580 PolarHBondContact OE2-NZ 3.36Å; E3577-R3581 HydrophobicContact CG-CG 4.26Å; E3577-R3581 WeakPolarHBondContact O-CB 3.36Å; E3577-R3581 WeakPolarHBondContact O-CG 3.37Å; E3577-R3581 PolarHBondContact O-N 2.83Å; E3577-R3581 VanDerWaalsContact O-N 3.11Å; E3577-R3581 IonicContact OE1-CZ 2.8Å; E3577-R3581 VanDerWaalsContact OE1-CZ 3.24Å; E3577-R3581 IonicContact OE1-NE 3.33Å; E3577-R3581 PolarHBondContact OE1-NE 2.95Å; E3577-R3581 IonicContact OE1-NH2 2.76Å; E3577-R3581 PolarHBondContact OE1-NH2 3.2Å |
| 3578 | V | 85.9 | Confident | 79.5 | Confident | 0.333333 Ų | 0.333333 | 66.8 Ų | 66.8 | 0% | 0.002 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 171.1 | 175 | 0 | 0 | 0 | 0 | 110.2 | Y3558 L3568 L3571 L3572 S3575 E3576 K3580 R3581 C3582 | Y3558-V3578 HydrophobicContact CD1-CG2 4.1Å; Y3558-V3578 HydrophobicContact CE1-CG2 3.97Å; L3568-V3578 HydrophobicContact CD2-CG1 4.14Å; L3568-V3578 HydrophobicContact CD2-CG2 4.15Å; L3571-V3578 HydrophobicContact CB-CG2 4.03Å; L3571-V3578 HydrophobicContact CD1-CG2 4.48Å; L3572-V3578 HydrophobicContact CD1-CG1 4.14Å; S3575-V3578 PolarHBondContact O-N 3.26Å; S3575-V3578 PolarHBondContact OG-N 3.21Å; E3576-V3578 VanDerWaalsContact C-N 3.29Å; E3576-V3578 PolarHBondContact O-N 3.42Å; V3578-K3580 VanDerWaalsContact C-N 3.28Å; V3578-K3580 PolarHBondContact O-N 3.26Å; V3578-R3581 PolarHBondContact O-N 3.14Å; V3578-C3582 HydrophobicContact CG1-CB 4.43Å; V3578-C3582 WeakPolarHBondContact O-CA 3.13Å; V3578-C3582 VanDerWaalsContact O-CB 3.26Å; V3578-C3582 WeakPolarHBondContact O-CB 3.28Å; V3578-C3582 PolarHBondContact O-N 3.11Å |
| 3579 | R | 86.3 | Confident | 76.7 | Confident | 96.3333 Ų | 96.3333 | 72.9 Ų | 72.9 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.7 | -29.1 | 176.7 | -98 | -176.2 | -70.7 | 139.4 | 0.7 | 113.8 | L3572 P3573 S3575 E3576 E3577 | L3572-R3579 HydrophobicContact CD1-CG 3.91Å; L3572-R3579 HydrophobicContact CG-CG 4.5Å; L3572-R3579 VanDerWaalsContact O-CD 3.3Å; L3572-R3579 WeakPolarHBondContact O-CD 3.4Å; L3572-R3579 VanDerWaalsContact O-CG 3.25Å; L3572-R3579 WeakPolarHBondContact O-CG 3.37Å; L3572-R3579 PolarHBondContact O-NH2 3.29Å; L3572-R3579 VanDerWaalsContact O-NH2 3.09Å; P3573-R3579 PolarHBondContact O-NH2 3.42Å; S3575-R3579 WeakPolarHBondContact O-CG 3.44Å; S3575-R3579 PolarHBondContact O-N 3.21Å; S3575-R3579 VanDerWaalsContact O-N 3.12Å; S3575-R3579 PolarHBondContact O-NE 3.45Å; E3576-R3579 VanDerWaalsContact CG-NH2 3.29Å; E3576-R3579 CarbonylContact O-C 3.54Å; E3576-R3579 PolarHBondContact O-N 3.18Å; E3576-R3579 IonicContact OE1-CZ 3.5Å; E3576-R3579 IonicContact OE1-NH2 2.66Å; E3576-R3579 PolarHBondContact OE1-NH2 3.39Å; E3577-R3579 VanDerWaalsContact C-N 3.33Å |
| 3580 | K | 83.3 | Confident | 74.2 | Confident | 114 Ų | 114 | 75.3 Ų | 75.3 | 50% | 0.496 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -77.9 | -37.3 | 178.2 | -104 | 166.7 | 179.3 | -179.7 | 0 | 112.8 | E3576 E3577 V3578 R3583 | E3576-K3580 WeakPolarHBondContact O-CB 3.33Å; E3576-K3580 WeakPolarHBondContact O-CD 3.25Å; E3576-K3580 VanDerWaalsContact O-CG 3.26Å; E3576-K3580 WeakPolarHBondContact O-CG 3.18Å; E3576-K3580 PolarHBondContact O-N 3.33Å; E3576-K3580 WeakPolarHBondContact OE2-CE 3.21Å; E3576-K3580 IonicContact OE2-NZ 3.25Å; E3576-K3580 PolarHBondContact OE2-NZ 3.14Å; E3577-K3580 PolarHBondContact O-N 3.29Å; E3577-K3580 WeakPolarHBondContact OE2-CD 3.41Å; E3577-K3580 IonicContact OE2-NZ 3.36Å; E3577-K3580 PolarHBondContact OE2-NZ 3.36Å; V3578-K3580 VanDerWaalsContact C-N 3.28Å; V3578-K3580 PolarHBondContact O-N 3.26Å; K3580-R3583 WeakPolarHBondContact O-CG 3.47Å; K3580-R3583 PolarHBondContact O-NE 3.12Å; K3580-R3583 VanDerWaalsContact O-NE 3.09Å |
| 3581 | R | 80.8 | Confident | 71.4 | Confident | 88 Ų | 88 | 77.3 Ų | 77.3 | 33% | 0.332 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -86 | -42.5 | -179.8 | -65.8 | -144.7 | -175.7 | -170 | 3.5 | 113.2 | D3556 Y3558 E3577 V3578 R3583 T3816 G3817 | D3556-R3581 IonicContact OD1-NH1 3.34Å; D3556-R3581 PolarHBondContact OD1-NH1 3.07Å; D3556-R3581 IonicContact OD2-CZ 3.99Å; D3556-R3581 IonicContact OD2-NH1 2.78Å; D3556-R3581 PolarHBondContact OD2-NH1 3.27Å; Y3558-R3581 VanDerWaalsContact CB-CD 3.49Å; Y3558-R3581 HydrophobicContact CD2-CG 3.86Å; Y3558-R3581 HydrophobicContact CE2-CG 4.44Å; Y3558-R3581 HydrophobicContact CG-CB 4.35Å; Y3558-R3581 HydrophobicContact CG-CG 3.94Å; E3577-R3581 HydrophobicContact CG-CG 4.26Å; E3577-R3581 WeakPolarHBondContact O-CB 3.36Å; E3577-R3581 WeakPolarHBondContact O-CG 3.37Å; E3577-R3581 PolarHBondContact O-N 2.83Å; E3577-R3581 VanDerWaalsContact O-N 3.11Å; E3577-R3581 IonicContact OE1-CZ 2.8Å; E3577-R3581 VanDerWaalsContact OE1-CZ 3.24Å; E3577-R3581 IonicContact OE1-NE 3.33Å; E3577-R3581 PolarHBondContact OE1-NE 2.95Å; E3577-R3581 IonicContact OE1-NH2 2.76Å; E3577-R3581 PolarHBondContact OE1-NH2 3.2Å; V3578-R3581 PolarHBondContact O-N 3.14Å; R3581-R3583 VanDerWaalsContact C-N 3.32Å; R3581-R3583 PolarHBondContact O-N 3.47Å; R3581-T3816 CarbonylContact O-C 3.4Å; R3581-T3816 WeakPolarHBondContact O-CA 3.21Å; R3581-G3817 PolarHBondContact O-N 3.27Å; R3581-G3817 VanDerWaalsContact O-N 3.13Å; R3581-G3817 VanDerWaalsContact O-O 3.08Å |
| 3582 | C | 78.1 | Confident | 68.8 | Low | 12.6667 Ų | 12.6667 | 83.5 Ų | 83.5 | 9% | 0.086 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 82.9 | -179.5 | -56 | 0 | 0 | 0 | 0 | 110.1 | V3578 G3817 L3819 | V3578-C3582 HydrophobicContact CG1-CB 4.43Å; V3578-C3582 WeakPolarHBondContact O-CA 3.13Å; V3578-C3582 VanDerWaalsContact O-CB 3.26Å; V3578-C3582 WeakPolarHBondContact O-CB 3.28Å; V3578-C3582 PolarHBondContact O-N 3.11Å; C3582-G3817 CarbonylContact C-O 3.27Å; C3582-G3817 VanDerWaalsContact CA-O 3.32Å; C3582-G3817 WeakPolarHBondContact CA-O 3.46Å; C3582-L3819 HydrophobicContact CB-CB 4.18Å; C3582-L3819 HydrophobicContact CB-CD1 4.16Å |
| 3583 | R | 68.6 | Low | 66 | Low | 160 Ų | 160 | 89.2 Ų | 89.2 | 60% | 0.604 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 147.7 | -174.6 | -62.8 | -177.5 | 179.8 | -172.7 | -1.5 | 112.1 | K3580 R3581 K3585 G3817 V3818 | K3580-R3583 WeakPolarHBondContact O-CG 3.47Å; K3580-R3583 PolarHBondContact O-NE 3.12Å; K3580-R3583 VanDerWaalsContact O-NE 3.09Å; R3581-R3583 VanDerWaalsContact C-N 3.32Å; R3581-R3583 PolarHBondContact O-N 3.47Å; R3583-K3585 PolarHBondContact O-N 2.97Å; R3583-G3817 PolarHBondContact N-O 3.43Å; R3583-V3818 WeakPolarHBondContact O-CA 3.37Å |
| 3584 | L | 67.2 | Low | 63.2 | Low | 75.6667 Ų | 75.6667 | 90 Ų | 90 | 40% | 0.396 | 47% | 0.466 | S | S | . | . | trans | -62.9 | 139.2 | 168.2 | -68.2 | 166.8 | 0 | 0 | 0 | 110.3 | F3586 E3856 F3857 D3860 | L3584-F3586 PolarHBondContact O-N 3.09Å; L3584-E3856 HydrophobicContact CD1-CB 4.16Å; L3584-F3857 HydrophobicContact CD1-CD2 4.47Å; L3584-F3857 HydrophobicContact CD1-CE2 4.25Å; L3584-F3857 HydrophobicContact CD2-CB 4.24Å; L3584-F3857 HydrophobicContact CD2-CD1 3.55Å; L3584-F3857 HydrophobicContact CD2-CD2 3.6Å; L3584-F3857 HydrophobicContact CD2-CE1 3.68Å; L3584-F3857 HydrophobicContact CD2-CE2 3.73Å; L3584-F3857 HydrophobicContact CD2-CG 3.52Å; L3584-F3857 HydrophobicContact CD2-CZ 3.78Å; L3584-F3857 HydrophobicContact CG-CD1 4.45Å; L3584-F3857 HydrophobicContact CG-CD2 4.12Å; L3584-F3857 HydrophobicContact CG-CE1 4.12Å; L3584-F3857 HydrophobicContact CG-CE2 3.77Å; L3584-F3857 HydrophobicContact CG-CG 4.46Å; L3584-F3857 HydrophobicContact CG-CZ 3.77Å; L3584-D3860 WeakPolarHBondContact CA-OD2 3.39Å; L3584-D3860 HydrophobicContact CD2-CB 3.7Å; L3584-D3860 WeakPolarHBondContact CD2-OD2 3.39Å | ||
| 3585 | K | 62.6 | Low | 60.3 | Low | 126.667 Ų | 126.667 | 94.1 Ų | 94.1 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -76.4 | -41.6 | 178 | -164.9 | 171.8 | -176.2 | 170.5 | 0 | 111.9 | R3583 V3818 D3860 | R3583-K3585 PolarHBondContact O-N 2.97Å; K3585-V3818 HydrophobicContact CB-CG1 3.85Å; K3585-V3818 HydrophobicContact CD-CG1 4.31Å; K3585-V3818 HydrophobicContact CG-CG1 4.35Å; K3585-D3860 PolarHBondContact N-OD2 3.2Å |
| 3586 | F | 57.7 | Low | 57.2 | Low | 119.333 Ų | 119.333 | 100.4 Ų | 100.4 | 52% | 0.523 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -110.1 | 100.9 | 177.1 | -59.7 | -74.1 | 0 | 0 | 0 | 110 | L3584 I3588 D3860 M3863 V3864 | L3584-F3586 PolarHBondContact O-N 3.09Å; F3586-I3588 PolarHBondContact O-N 3.19Å; F3586-I3588 VanDerWaalsContact O-N 3.13Å; F3586-D3860 WeakPolarHBondContact CB-OD1 3.46Å; F3586-D3860 WeakPolarHBondContact CD2-OD1 3.36Å; F3586-D3860 PolarHBondContact N-OD1 2.75Å; F3586-M3863 HydrophobicContact CB-SD 4.34Å; F3586-M3863 HydrophobicContact CG-CE 4.49Å; F3586-V3864 HydrophobicContact CD2-CG2 4.08Å; F3586-V3864 HydrophobicContact CE2-CG2 4Å |
| 3587 | R | 51.4 | Low | 54.5 | Low | 192.667 Ų | 192.667 | 103.6 Ų | 103.6 | 73% | 0.727 | 54% | 0.538 | S | S | * | . | trans | -78.4 | 104.3 | 174.9 | -141.8 | 180 | -175.8 | 175.9 | -0.3 | 109.7 | P3589 | R3587-P3589 WeakPolarHBondContact O-CD 3.29Š| ||
| 3588 | I | 48.2 | Very low | 52 | Low | 68.6667 Ų | 68.6667 | 108.8 Ų | 108.8 | 35% | 0.352 | 56% | 0.563 | S | S | . | * | trans | -62.6 | 123.7 | 171.8 | -58.2 | 176.2 | 0 | 0 | 0 | 108.6 | F3586 G3590 A3859 | F3586-I3588 PolarHBondContact O-N 3.19Å; F3586-I3588 VanDerWaalsContact O-N 3.13Å; I3588-G3590 PolarHBondContact O-N 3.17Å; I3588-A3859 HydrophobicContact CD1-CB 4.16Å | ||
| 3589 | P | 32.9 | Very low | 49.2 | Very low | 132.333 Ų | 132.333 | 117.8 Ų | 117.8 | 86% | 0.859 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 107.1 | 177.5 | -21.6 | 34 | 0 | 0 | 0 | 111.4 | R3587 | R3587-P3589 WeakPolarHBondContact O-CD 3.29Š|
| 3590 | G | 40.1 | Very low | 46.5 | Very low | 77 Ų | 77 | 119.9 Ų | 119.9 | 79% | 0.794 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 140.2 | -15.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | I3588 | I3588-G3590 PolarHBondContact O-N 3.17Š|
| 3591 | T | 34.5 | Very low | 43.9 | Very low | 46.3333 Ų | 46.3333 | 120.8 Ų | 120.8 | 28% | 0.284 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -107.3 | 140 | -179 | 67.5 | 0 | 0 | 0 | 0 | 113.7 | E3856 K3891 | T3591-E3856 WeakPolarHBondContact CB-OE1 3.42Å; T3591-E3856 WeakPolarHBondContact CG2-OE1 3.42Å; T3591-E3856 PolarHBondContact OG1-OE1 3.15Å; T3591-K3891 HydrophobicContact CG2-CB 3.98Å; T3591-K3891 HydrophobicContact CG2-CD 4.17Å; T3591-K3891 HydrophobicContact CG2-CG 3.96Å |
| 3592 | L | 37.8 | Very low | 41.6 | Very low | 129.333 Ų | 129.333 | 124.5 Ų | 124.5 | 68% | 0.677 | 65% | 0.651 | S | S | * | * | trans | 59.1 | 86.1 | -176.2 | -70.3 | 168.3 | 0 | 0 | 0 | 116.3 | G3594 | L3592-G3594 VanDerWaalsContact C-N 3.31Å; L3592-G3594 PolarHBondContact O-N 3.38Å; L3592-G3594 VanDerWaalsContact O-N 3.1Å | ||
| 3593 | V | 32.9 | Very low | 39.2 | Very low | 144.333 Ų | 144.333 | 130.5 Ų | 130.5 | 88% | 0.875 | 68% | 0.682 | S | S | * | * | trans | -79.7 | 110.7 | 156.8 | 175.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 3594 | G | 30.8 | Very low | 37.4 | Very low | 56.6667 Ų | 56.6667 | 127.5 Ų | 127.5 | 58% | 0.584 | 69% | 0.686 | S | S | * | * | trans | -83 | 151.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | L3592 N3596 | L3592-G3594 VanDerWaalsContact C-N 3.31Å; L3592-G3594 PolarHBondContact O-N 3.38Å; L3592-G3594 VanDerWaalsContact O-N 3.1Å; G3594-N3596 PolarHBondContact O-N 3.5Å | ||
| 3595 | T | 27.9 | Very low | 35.7 | Very low | 134 Ų | 134 | 130.4 Ų | 130.4 | 82% | 0.822 | 70% | 0.702 | S | S | * | * | trans | -55.4 | 133.9 | 176.6 | 40.6 | 0 | 0 | 0 | 0 | 112.8 | E3597 | T3595-E3597 VanDerWaalsContact C-N 3.3Å; T3595-E3597 PolarHBondContact O-N 2.94Å; T3595-E3597 VanDerWaalsContact O-N 3.12Å | ||
| 3596 | N | 25.3 | Very low | 34.3 | Very low | 150 Ų | 150 | 130.8 Ų | 130.8 | 80% | 0.802 | 71% | 0.71 | S | S | * | * | trans | -84.6 | 96.4 | 161.8 | -72.2 | -13.4 | 0 | 0 | 0 | 112.7 | G3594 Q3598 | G3594-N3596 PolarHBondContact O-N 3.5Å; N3596-Q3598 VanDerWaalsContact C-N 3.27Å; N3596-Q3598 PolarHBondContact O-N 3.28Å | ||
| 3597 | E | 28.7 | Very low | 33.2 | Very low | 191 Ų | 191 | 130.2 Ų | 130.2 | 89% | 0.893 | 72% | 0.716 | S | S | * | * | trans | -124.2 | 94.8 | 149.4 | -81.5 | -177.4 | 171.4 | 0 | 0 | 108 | T3595 E3599 | T3595-E3597 VanDerWaalsContact C-N 3.3Å; T3595-E3597 PolarHBondContact O-N 2.94Å; T3595-E3597 VanDerWaalsContact O-N 3.12Å; E3597-E3599 PolarHBondContact O-N 3.17Å | ||
| 3598 | Q | 30.3 | Very low | 32.3 | Very low | 169.333 Ų | 169.333 | 127.3 Ų | 127.3 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | trans | -88.9 | 128.2 | 167.3 | -77.5 | -176.5 | -35.2 | 0 | 0 | 108.3 | N3596 L3600 | N3596-Q3598 VanDerWaalsContact C-N 3.27Å; N3596-Q3598 PolarHBondContact O-N 3.28Å; Q3598-L3600 VanDerWaalsContact C-N 3.28Å; Q3598-L3600 PolarHBondContact O-N 3.06Å | ||
| 3599 | E | 27.4 | Very low | 31.7 | Very low | 188.667 Ų | 188.667 | 130.8 Ų | 130.8 | 88% | 0.882 | 74% | 0.735 | S | S | * | * | trans | -32.6 | 117.4 | 169.6 | -63.1 | -171.2 | 142.9 | 0 | 0 | 111.5 | E3597 N3601 | E3597-E3599 PolarHBondContact O-N 3.17Å; E3599-N3601 PolarHBondContact O-N 3.45Å | ||
| 3600 | L | 29.7 | Very low | 31.7 | Very low | 141 Ų | 141 | 130.1 Ų | 130.1 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | trans | -110.3 | 100.1 | -179.8 | -118.8 | 138.4 | 0 | 0 | 0 | 110.5 | Q3598 K3602 | Q3598-L3600 VanDerWaalsContact C-N 3.28Å; Q3598-L3600 PolarHBondContact O-N 3.06Å; L3600-K3602 HydrophobicContact CD2-CD 3.66Å; L3600-K3602 HydrophobicContact CD2-CG 3.9Å; L3600-K3602 PolarHBondContact O-N 2.97Å | ||
| 3601 | N | 29.7 | Very low | 31.4 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | trans | -73.9 | 111.3 | -177 | -127.2 | -43.2 | 0 | 0 | 0 | 110.7 | E3599 | E3599-N3601 PolarHBondContact O-N 3.45Š| ||
| 3602 | K | 31.1 | Very low | 31.1 | Very low | 165 Ų | 165 | 138.5 Ų | 138.5 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | trans | -20.9 | 119.3 | 161.9 | -79.6 | 175.6 | -177.1 | 160.1 | 0 | 115.7 | L3600 | L3600-K3602 HydrophobicContact CD2-CD 3.66Å; L3600-K3602 HydrophobicContact CD2-CG 3.9Å; L3600-K3602 PolarHBondContact O-N 2.97Å | ||
| 3603 | N | 28.4 | Very low | 30.9 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | 116.6 | 138.2 | 90.6 | -86.1 | 4.5 | 0 | 0 | 0 | 116.5 | |||||
| 3604 | S | 30.6 | Very low | 30.8 | Very low | 98.5 Ų | 98.5 | 136.6 Ų | 136.6 | 69% | 0.689 | 75% | 0.748 | S | S | * | * | trans | -97.8 | 147.4 | 138.1 | -62.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 3605 | N | 32.3 | Very low | 31 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | -172.2 | 149.5 | 50.2 | -93.4 | -19 | 0 | 0 | 0 | 108.6 | |||||
| 3606 | N | 33.1 | Very low | 31.2 | Very low | 135 Ų | 135 | 143.1 Ų | 143.1 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | 136.3 | 162.1 | 87.7 | -87.5 | -14.2 | 0 | 0 | 0 | 113.2 | |||||
| 3607 | T | 34.2 | Very low | 31.5 | Very low | 106.5 Ų | 106.5 | 140.5 Ų | 140.5 | 65% | 0.653 | 75% | 0.75 | S | S | * | * | cis | -158.9 | 156.9 | 7.3 | -2.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 3608 | N | 33.6 | Very low | 31.7 | Very low | 132.5 Ų | 132.5 | 136.5 Ų | 136.5 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | trans | 53 | 126.4 | 152.5 | -54.8 | -7.3 | 0 | 0 | 0 | 119.2 | ||||
| 3609 | N | 34.3 | Very low | 31.7 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | cis | -168.9 | 157.4 | 47.2 | -102.5 | -16.9 | 0 | 0 | 0 | 113.7 | ||||
| 3610 | T | 33.6 | Very low | 31.9 | Very low | 118.5 Ų | 118.5 | 131.3 Ų | 131.3 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | -17.7 | 155.5 | 171.5 | 43.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 3611 | T | 32.5 | Very low | 31.9 | Very low | 129.5 Ų | 129.5 | 129.6 Ų | 129.6 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | 136.2 | 163.7 | 80.3 | 18.3 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 3612 | M | 29.7 | Very low | 31.9 | Very low | 169.5 Ų | 169.5 | 130.4 Ų | 130.4 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | -123.3 | 176.6 | -101.8 | -87.9 | -78.9 | -170.4 | 0 | 0 | 110.8 | |||||
| 3613 | V | 33 | Very low | 32 | Very low | 125.5 Ų | 125.5 | 126.6 Ų | 126.6 | 76% | 0.761 | 73% | 0.732 | S | S | * | * | 132.1 | 130.7 | 115.3 | 170.4 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 3614 | T | 31.8 | Very low | 32 | Very low | 108 Ų | 108 | 125.7 Ų | 125.7 | 66% | 0.663 | 73% | 0.733 | S | S | * | * | 115.1 | 143.7 | 71.1 | 46.5 | 0 | 0 | 0 | 0 | 118 | |||||
| 3615 | K | 33.4 | Very low | 32 | Very low | 182 Ų | 182 | 127.1 Ų | 127.1 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | 114.6 | 140.8 | 88.2 | -60.4 | 178.5 | -177.2 | 174.8 | 0 | 119.4 | |||||
| 3616 | N | 33 | Very low | 32 | Very low | 145 Ų | 145 | 130.4 Ų | 130.4 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | 103.7 | 140.8 | 122.4 | -72.4 | 6 | 0 | 0 | 0 | 115.5 | |||||
| 3617 | S | 30.3 | Very low | 31.8 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | cis | 128.9 | 149.8 | 23.4 | 59.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 3618 | S | 34.1 | Very low | 31.7 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | 121.4 | 157.2 | 75.2 | 44.4 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 3619 | S | 29.4 | Very low | 31.4 | Very low | 97.5 Ų | 97.5 | 130.6 Ų | 130.6 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | cis | -176.9 | -167.2 | -17.7 | 54.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 3620 | L | 32 | Very low | 31.2 | Very low | 151 Ų | 151 | 131.9 Ų | 131.9 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | trans | 73.9 | 153 | 163.6 | -88.4 | 70.9 | 0 | 0 | 0 | 119 | ||||
| 3621 | T | 30.4 | Very low | 31.1 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | cis | -171.6 | 152.2 | -31.4 | 19 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 3622 | N | 29.7 | Very low | 30.9 | Very low | 150 Ų | 150 | 131.1 Ų | 131.1 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | trans | 117.5 | 146.1 | 141.6 | -76 | -5.4 | 0 | 0 | 0 | 117.7 | ||||
| 3623 | A | 31.9 | Very low | 31 | Very low | 84 Ų | 84 | 134.7 Ų | 134.7 | 69% | 0.694 | 74% | 0.74 | S | S | * | * | 91.5 | 128.5 | 102.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 3624 | T | 30 | Very low | 30.8 | Very low | 121.5 Ų | 121.5 | 132.2 Ų | 132.2 | 75% | 0.745 | 74% | 0.741 | S | S | * | * | cis | 142.4 | 135.2 | -2 | 6.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 3625 | I | 29.8 | Very low | 30.7 | Very low | 127.5 Ų | 127.5 | 130.6 Ų | 130.6 | 65% | 0.654 | 75% | 0.746 | S | S | * | * | trans | 70.6 | 146 | 146.1 | -24.9 | 172.9 | 0 | 0 | 0 | 121.2 | ||||
| 3626 | Y | 33.4 | Very low | 30.7 | Very low | 204.5 Ų | 204.5 | 127.1 Ų | 127.1 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | 158 | 167 | 89.3 | -61.9 | -74.1 | 0 | 0 | 0 | 116.6 | |||||
| 3627 | S | 27.4 | Very low | 30.7 | Very low | 96 Ų | 96 | 126.5 Ų | 126.5 | 67% | 0.671 | 74% | 0.741 | S | S | * | * | cis | 131.8 | 144.1 | -12.2 | 137.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3628 | T | 32.4 | Very low | 30.7 | Very low | 131.5 Ų | 131.5 | 130.1 Ų | 130.1 | 81% | 0.807 | 75% | 0.747 | S | S | * | * | -176.4 | 169.4 | 88.8 | 40.7 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 3629 | N | 26.7 | Very low | 30.6 | Very low | 151 Ų | 151 | 129.8 Ų | 129.8 | 81% | 0.807 | 75% | 0.745 | S | S | * | * | trans | -120.1 | 167.8 | -175 | -70.9 | -18.7 | 0 | 0 | 0 | 113.2 | ||||
| 3630 | H | 31.1 | Very low | 30.5 | Very low | 169 Ų | 169 | 132.7 Ų | 132.7 | 78% | 0.782 | 75% | 0.752 | S | S | * | * | trans | 137 | 157.3 | 152.4 | -99.2 | -86.9 | 0 | 0 | 0 | 114.9 | D3632 | H3630-D3632 IonicContact CE1-OD1 2.68Å; H3630-D3632 IonicContact CG-OD1 2.73Å; H3630-D3632 IonicContact ND1-OD1 3.35Å; H3630-D3632 PolarHBondContact ND1-OD1 3.48Å; H3630-D3632 IonicContact ND1-OD2 3.46Å | ||
| 3631 | T | 30.8 | Very low | 30.4 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | -125.4 | 169.7 | 107.4 | 55.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 3632 | D | 29.5 | Very low | 30.3 | Very low | 114.5 Ų | 114.5 | 133.9 Ų | 133.9 | 61% | 0.612 | 75% | 0.754 | S | S | * | * | cis | 176.2 | 154.7 | 39.6 | -83.6 | -15.4 | 0 | 0 | 0 | 111.2 | H3630 | H3630-D3632 IonicContact CE1-OD1 2.68Å; H3630-D3632 IonicContact CG-OD1 2.73Å; H3630-D3632 IonicContact ND1-OD1 3.35Å; H3630-D3632 PolarHBondContact ND1-OD1 3.48Å; H3630-D3632 IonicContact ND1-OD2 3.46Å | ||
| 3633 | W | 30.1 | Very low | 30.2 | Very low | 244.5 Ų | 244.5 | 131.8 Ų | 131.8 | 93% | 0.926 | 75% | 0.747 | S | S | * | * | 121.6 | 152.6 | 72.8 | -99.5 | 55.2 | 0 | 0 | 0 | 116.3 | |||||
| 3634 | G | 29 | Very low | 29.9 | Very low | 74.5 Ų | 74.5 | 135.5 Ų | 135.5 | 77% | 0.768 | 75% | 0.754 | S | S | * | * | 111.9 | 154.5 | 85 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 3635 | G | 30.2 | Very low | 30 | Very low | 74.5 Ų | 74.5 | 135.4 Ų | 135.4 | 77% | 0.768 | 76% | 0.758 | S | S | * | * | cis | -174.3 | 179.5 | -1.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 3636 | S | 33.7 | Very low | 29.8 | Very low | 107.5 Ų | 107.5 | 134.7 Ų | 134.7 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | cis | -153.8 | 157.3 | 6.9 | -65.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 3637 | N | 33.2 | Very low | 30 | Very low | 133 Ų | 133 | 130.6 Ų | 130.6 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | 67.5 | 126.5 | 160.2 | -57.9 | 51.2 | 0 | 0 | 0 | 117.4 | ||||
| 3638 | E | 29.7 | Very low | 30 | Very low | 171.5 Ų | 171.5 | 133.5 Ų | 133.5 | 80% | 0.801 | 77% | 0.766 | S | S | * | * | cis | 136.2 | 145.3 | 37.9 | -91.8 | 171.1 | 133.3 | 0 | 0 | 110.3 | ||||
| 3639 | S | 31.7 | Very low | 29.8 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | cis | -157.5 | 147.1 | -6.4 | 58.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 3640 | L | 28.7 | Very low | 29.9 | Very low | 158.5 Ų | 158.5 | 133 Ų | 133 | 83% | 0.83 | 76% | 0.762 | S | S | * | * | trans | 118.6 | 143.5 | 162.8 | -92.3 | 170.8 | 0 | 0 | 0 | 116.6 | ||||
| 3641 | L | 28.1 | Very low | 29.6 | Very low | 144.5 Ų | 144.5 | 132.4 Ų | 132.4 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | 81.3 | 132.1 | 121.6 | -107.4 | 125.9 | 0 | 0 | 0 | 113 | |||||
| 3642 | D | 28.9 | Very low | 29.5 | Very low | 138.5 Ų | 138.5 | 131.8 Ų | 131.8 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | 177.9 | 145.9 | 88.1 | -94 | -37.6 | 0 | 0 | 0 | 111.2 | |||||
| 3643 | T | 28.3 | Very low | 29.3 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 64% | 0.644 | 78% | 0.778 | S | S | * | * | cis | 136 | 128.9 | 17.5 | -18 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 3644 | L | 26 | Very low | 29.2 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | 57.3 | 127.9 | 158.5 | -67.3 | 164.3 | 0 | 0 | 0 | 121.2 | ||||
| 3645 | S | 30.6 | Very low | 29.3 | Very low | 117.5 Ų | 117.5 | 135.1 Ų | 135.1 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | 139 | 131.3 | 135 | -67.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 3646 | S | 26.6 | Very low | 29.2 | Very low | 114.5 Ų | 114.5 | 138.4 Ų | 138.4 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | trans | -49.5 | 166.4 | 148.8 | -64 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 3647 | P | 38.2 | Very low | 29 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | cis | -137.7 | -158.6 | -31.2 | 38.5 | -18.7 | 0 | 0 | 0 | 113.2 | ||||
| 3648 | Q | 27.2 | Very low | 28.9 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | 92.3 | 125.4 | 156.5 | -109.7 | -170 | -26.2 | 0 | 0 | 121.3 | ||||
| 3649 | Q | 27.6 | Very low | 29 | Very low | 158.5 Ų | 158.5 | 135.1 Ų | 135.1 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | 69.5 | 107.4 | 142.4 | -59.3 | -172.5 | 9.9 | 0 | 0 | 122.5 | ||||
| 3650 | S | 28.2 | Very low | 28.8 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | 143.9 | 160.3 | 121.5 | 68.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 3651 | N | 25.8 | Very low | 28.9 | Very low | 155.5 Ų | 155.5 | 137.6 Ų | 137.6 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 130.6 | 145.3 | 178.3 | -110.7 | -12.1 | 0 | 0 | 0 | 116.6 | ||||
| 3652 | S | 28.2 | Very low | 29.1 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | 141.8 | 164.4 | 101.6 | 71.9 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 3653 | R | 26.4 | Very low | 29 | Very low | 232.5 Ų | 232.5 | 138.9 Ų | 138.9 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | 28.2 | 109.3 | 164.1 | -63 | 173.9 | 172.4 | 169.8 | -3.9 | 119 | ||||
| 3654 | S | 27.1 | Very low | 28.9 | Very low | 102.5 Ų | 102.5 | 141.6 Ų | 141.6 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | trans | -59.9 | 131.5 | 134.8 | 56.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 3655 | H | 31.5 | Very low | 29.2 | Very low | 168.5 Ų | 168.5 | 141.2 Ų | 141.2 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | 140.8 | 130 | 84.6 | -91.2 | -67.9 | 0 | 0 | 0 | 113.9 | |||||
| 3656 | N | 27.5 | Very low | 29.2 | Very low | 143.5 Ų | 143.5 | 141.4 Ų | 141.4 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | trans | -13.8 | 152.5 | 160.7 | -59.1 | -13.8 | 0 | 0 | 0 | 117.4 | ||||
| 3657 | S | 29.6 | Very low | 29.3 | Very low | 109.5 Ų | 109.5 | 142.5 Ų | 142.5 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | 151.3 | 151.2 | 77.9 | 20.4 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 3658 | V | 30.1 | Very low | 28.9 | Very low | 131.5 Ų | 131.5 | 144.7 Ų | 144.7 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | 61.7 | 119.3 | 160.3 | -173.3 | 0 | 0 | 0 | 0 | 118 | L3660 | V3658-L3660 HydrophobicContact CG1-CD1 4.21Š| ||
| 3659 | S | 32.1 | Very low | 28.9 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | cis | -160.3 | 134.9 | 46.2 | 42.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 3660 | L | 28.1 | Very low | 29 | Very low | 155.5 Ų | 155.5 | 146.3 Ų | 146.3 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | 75 | 57.7 | 56.6 | -96.5 | 175.1 | 0 | 0 | 0 | 116.3 | V3658 | V3658-L3660 HydrophobicContact CG1-CD1 4.21Š| |||
| 3661 | I | 31.8 | Very low | 29.1 | Very low | 155.5 Ų | 155.5 | 149.5 Ų | 149.5 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -157.6 | 93.6 | 139.4 | -67.2 | 165.8 | 0 | 0 | 0 | 109.9 | ||||
| 3662 | K | 31.3 | Very low | 29.2 | Very low | 206 Ų | 206 | 146.4 Ų | 146.4 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -161.8 | 49.4 | 158 | -127.9 | 173.5 | -177 | 175.1 | 0 | 112.8 | ||
| 3663 | S | 26.6 | Very low | 29.1 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -124.3 | 52.9 | 178.5 | 56.5 | 0 | 0 | 0 | 0 | 111.3 | ||
| 3664 | L | 27.1 | Very low | 29.3 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -149.1 | 57.7 | 171.2 | -87.5 | 172.6 | 0 | 0 | 0 | 110.9 | P3666 | L3664-P3666 VanDerWaalsContact O-CD 3.3Å; L3664-P3666 WeakPolarHBondContact O-CD 3.31Å | ||
| 3665 | L | 30.7 | Very low | 29.2 | Very low | 155 Ų | 155 | 147 Ų | 147 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -142.2 | 121.8 | 157.8 | -85.2 | 160.7 | 0 | 0 | 0 | 107.9 | N3667 | L3665-N3667 PolarHBondContact O-N 3.24Å; L3665-N3667 VanDerWaalsContact O-N 3.14Å |
| 3666 | P | 31.9 | Very low | 29.1 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -74 | 122.1 | 175.3 | 29.7 | -32.5 | 0 | 0 | 0 | 110.1 | L3664 N3668 | L3664-P3666 VanDerWaalsContact O-CD 3.3Å; L3664-P3666 WeakPolarHBondContact O-CD 3.31Å; P3666-N3668 PolarHBondContact O-N 3Å |
| 3667 | N | 29.2 | Very low | 29 | Very low | 139 Ų | 139 | 150 Ų | 150 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 136.3 | 170.4 | -81.3 | -22.6 | 0 | 0 | 0 | 110.4 | L3665 F3669 | L3665-N3667 PolarHBondContact O-N 3.24Å; L3665-N3667 VanDerWaalsContact O-N 3.14Å; N3667-F3669 HydrophobicContact CB-CD2 4.46Å; N3667-F3669 PolarHBondContact O-N 3.16Å |
| 3668 | N | 28.8 | Very low | 29 | Very low | 163.5 Ų | 163.5 | 152.7 Ų | 152.7 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 105.6 | 167.6 | -82.8 | -18.9 | 0 | 0 | 0 | 110.3 | P3666 | P3666-N3668 PolarHBondContact O-N 3Š|
| 3669 | F | 28 | Very low | 28.9 | Very low | 189.5 Ų | 189.5 | 153.8 Ų | 153.8 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -111.9 | 120.8 | 168 | -101.4 | -88.3 | 0 | 0 | 0 | 109.5 | N3667 | N3667-F3669 HydrophobicContact CB-CD2 4.46Å; N3667-F3669 PolarHBondContact O-N 3.16Å | ||
| 3670 | I | 29 | Very low | 28.6 | Very low | 159 Ų | 159 | 160.3 Ų | 160.3 | 82% | 0.815 | 81% | 0.807 | S | S | * | * | trans | 142.1 | 101.5 | 171.3 | -52.4 | -176.1 | 0 | 0 | 0 | 111.1 | ||||
| 3671 | Q | 29.4 | Very low | 28.8 | Very low | 180 Ų | 180 | 158.6 Ų | 158.6 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | trans | -11.8 | 107.3 | 151.1 | -127 | 171.4 | -1 | 0 | 0 | 112.6 | ||||
| 3672 | S | 28.3 | Very low | 28.5 | Very low | 92 Ų | 92 | 161.3 Ų | 161.3 | 64% | 0.643 | 81% | 0.806 | S | S | * | * | trans | -105.4 | 140 | 156.9 | 50.1 | 0 | 0 | 0 | 0 | 110.4 | F3674 | S3672-F3674 VanDerWaalsContact C-N 3.27Å; S3672-F3674 PolarHBondContact O-N 3.5Å | ||
| 3673 | N | 27.4 | Very low | 28.3 | Very low | 151.5 Ų | 151.5 | 160.1 Ų | 160.1 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | 9.9 | 102.4 | 178.3 | -66.5 | -28.7 | 0 | 0 | 0 | 113.1 | ||||
| 3674 | F | 29.2 | Very low | 28.3 | Very low | 151 Ų | 151 | 162.1 Ų | 162.1 | 66% | 0.662 | 80% | 0.799 | S | S | * | * | -125.6 | 84.7 | 79.1 | -130.1 | -85.3 | 0 | 0 | 0 | 112.3 | S3672 Q3676 | S3672-F3674 VanDerWaalsContact C-N 3.27Å; S3672-F3674 PolarHBondContact O-N 3.5Å; F3674-Q3676 HydrophobicContact CD1-CB 4.32Å; F3674-Q3676 HydrophobicContact CD1-CG 4.49Å; F3674-Q3676 HydrophobicContact CE1-CG 4.5Å | |||
| 3675 | N | 25.6 | Very low | 28.4 | Very low | 147.5 Ų | 147.5 | 159.1 Ų | 159.1 | 79% | 0.789 | 79% | 0.792 | S | S | * | * | trans | -107.5 | 128 | 167.3 | -120.5 | -21.6 | 0 | 0 | 0 | 108.9 | ||||
| 3676 | Q | 29.1 | Very low | 28.3 | Very low | 179 Ų | 179 | 158.1 Ų | 158.1 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | 137 | 93 | 177.7 | -84.5 | 178.8 | 18.6 | 0 | 0 | 114.9 | F3674 | F3674-Q3676 HydrophobicContact CD1-CB 4.32Å; F3674-Q3676 HydrophobicContact CD1-CG 4.49Å; F3674-Q3676 HydrophobicContact CE1-CG 4.5Å | ||
| 3677 | K | 25.4 | Very low | 28.2 | Very low | 196.5 Ų | 196.5 | 162.2 Ų | 162.2 | 85% | 0.854 | 79% | 0.788 | S | S | * | * | trans | -130 | 81.7 | 146.3 | -110.1 | 172.1 | -175.6 | 166.6 | 0 | 111.5 | ||||
| 3678 | I | 30.1 | Very low | 28.1 | Very low | 166.5 Ų | 166.5 | 161.9 Ų | 161.9 | 85% | 0.854 | 79% | 0.792 | S | S | * | * | trans | -132.6 | 118.4 | 152.5 | -81.2 | 163.9 | 0 | 0 | 0 | 106.7 | R3680 | I3678-R3680 PolarHBondContact O-N 2.9Š| ||
| 3679 | N | 26.8 | Very low | 28 | Very low | 154.5 Ų | 154.5 | 158.7 Ų | 158.7 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | trans | -105.7 | 121.5 | 176 | -95.6 | -3.2 | 0 | 0 | 0 | 108.9 | ||||
| 3680 | R | 26.3 | Very low | 28 | Very low | 238 Ų | 238 | 156.7 Ų | 156.7 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | trans | -139.6 | 149.7 | 155.4 | -90.9 | -164.8 | 168.1 | 177.3 | -3.6 | 109.4 | I3678 | I3678-R3680 PolarHBondContact O-N 2.9Š| ||
| 3681 | P | 31.8 | Very low | 27.8 | Very low | 121.5 Ų | 121.5 | 156 Ų | 156 | 79% | 0.789 | 78% | 0.778 | S | S | * | * | trans | -105.7 | 163.4 | -145.7 | 36.1 | -31.3 | 0 | 0 | 0 | 115 | ||||
| 3682 | R | 25.7 | Very low | 27.6 | Very low | 211.5 Ų | 211.5 | 154.5 Ų | 154.5 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | trans | -111.5 | 143.5 | 161.2 | -89 | 179 | 168.2 | 171.4 | -3.1 | 108.7 | E3684 | R3682-E3684 HydrophobicContact CB-CG 4.32Å; R3682-E3684 WeakPolarHBondContact CD-OE1 3.36Å; R3682-E3684 HydrophobicContact CG-CG 4.5Å; R3682-E3684 IonicContact CZ-OE1 3.45Å; R3682-E3684 IonicContact NE-OE1 2.76Å; R3682-E3684 PolarHBondContact NE-OE1 3.24Å; R3682-E3684 IonicContact NH1-OE1 2.64Å; R3682-E3684 PolarHBondContact NH1-OE1 2.84Å | ||
| 3683 | F | 28.3 | Very low | 27.6 | Very low | 181.5 Ų | 181.5 | 155.3 Ų | 155.3 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | -124.3 | 155.5 | 67.3 | -112.4 | -83.1 | 0 | 0 | 0 | 109.1 | |||||
| 3684 | E | 25.4 | Very low | 27.5 | Very low | 145.5 Ų | 145.5 | 152.8 Ų | 152.8 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | trans | -68.6 | 134.1 | 172.3 | -70 | 166.9 | 169.9 | 0 | 0 | 114.5 | R3682 | R3682-E3684 HydrophobicContact CB-CG 4.32Å; R3682-E3684 WeakPolarHBondContact CD-OE1 3.36Å; R3682-E3684 HydrophobicContact CG-CG 4.5Å; R3682-E3684 IonicContact CZ-OE1 3.45Å; R3682-E3684 IonicContact NE-OE1 2.76Å; R3682-E3684 PolarHBondContact NE-OE1 3.24Å; R3682-E3684 IonicContact NH1-OE1 2.64Å; R3682-E3684 PolarHBondContact NH1-OE1 2.84Å | ||
| 3685 | S | 29.3 | Very low | 27.5 | Very low | 99 Ų | 99 | 151.7 Ų | 151.7 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | 146.8 | 133 | 123.3 | 77.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 3686 | N | 28.3 | Very low | 27.8 | Very low | 134.5 Ų | 134.5 | 150.5 Ų | 150.5 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | 120.4 | 159.6 | 76.8 | -81.5 | -24.7 | 0 | 0 | 0 | 115.8 | |||||
| 3687 | Y | 30.8 | Very low | 27.9 | Very low | 204.5 Ų | 204.5 | 148.1 Ų | 148.1 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | -95.1 | 158.5 | 110 | -61.5 | -92.1 | 0 | 0 | 0 | 115.7 | |||||
| 3688 | T | 26.2 | Very low | 28.3 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | -143.8 | 146.8 | 79.9 | 17.6 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 3689 | S | 28.3 | Very low | 28.2 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | trans | -79.3 | 131.6 | 165.1 | 60 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 3690 | N | 26.6 | Very low | 28.4 | Very low | 147.5 Ų | 147.5 | 141 Ų | 141 | 79% | 0.789 | 74% | 0.739 | S | S | * | * | trans | -179.6 | 146 | 155.6 | -78.1 | -16.7 | 0 | 0 | 0 | 116.4 | ||||
| 3691 | L | 25.8 | Very low | 28.7 | Very low | 145.5 Ų | 145.5 | 136.8 Ų | 136.8 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | trans | 74.8 | 120.8 | 150.6 | -68.3 | 118.4 | 0 | 0 | 0 | 121.6 | ||||
| 3692 | L | 25.1 | Very low | 28.6 | Very low | 147 Ų | 147 | 137.8 Ų | 137.8 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | trans | 77.7 | 129 | 134.4 | -72 | 168.6 | 0 | 0 | 0 | 121.8 | ||||
| 3693 | S | 27.7 | Very low | 28.6 | Very low | 109.5 Ų | 109.5 | 134.9 Ų | 134.9 | 77% | 0.766 | 72% | 0.723 | S | S | * | * | 138.5 | 127.7 | 124.8 | -68.5 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 3694 | S | 26.7 | Very low | 28.8 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 70% | 0.699 | 72% | 0.717 | S | S | * | * | trans | 48.7 | 135.5 | 134.6 | -86.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 3695 | D | 28.4 | Very low | 29 | Very low | 126.5 Ų | 126.5 | 136.2 Ų | 136.2 | 68% | 0.676 | 73% | 0.725 | S | S | * | * | 142 | 149 | 68.4 | -103 | -13.8 | 0 | 0 | 0 | 116.6 | |||||
| 3696 | N | 32.2 | Very low | 29.1 | Very low | 123 Ų | 123 | 136 Ų | 136 | 66% | 0.658 | 72% | 0.723 | S | S | * | * | 144.1 | -176 | 68.9 | -113.7 | -49.4 | 0 | 0 | 0 | 113.9 | |||||
| 3697 | N | 31.6 | Very low | 29.2 | Very low | 129.5 Ų | 129.5 | 134.5 Ų | 134.5 | 69% | 0.693 | 72% | 0.723 | S | S | * | * | cis | 135.9 | 144.5 | 34.5 | -114.8 | -15.4 | 0 | 0 | 0 | 112.6 | ||||
| 3698 | T | 32 | Very low | 29.3 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 66% | 0.656 | 72% | 0.721 | S | S | * | * | 117.4 | 138 | 89 | 17.6 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 3699 | T | 30 | Very low | 29.5 | Very low | 113 Ų | 113 | 131 Ų | 131 | 69% | 0.693 | 71% | 0.714 | S | S | * | * | trans | 5.7 | 151.2 | 134.2 | 62.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 3700 | Q | 30.3 | Very low | 29.6 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 69% | 0.687 | 72% | 0.719 | S | S | * | * | cis | -166.1 | 173.8 | 45.8 | -98.2 | 166.3 | 55.9 | 0 | 0 | 107.9 | Q3702 | Q3700-Q3702 HydrophobicContact CG-CG 4.45Š| ||
| 3701 | Q | 32.6 | Very low | 29.8 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | cis | -156.2 | 162.8 | 19.3 | -105.3 | 172.5 | 51.7 | 0 | 0 | 106.9 | ||||
| 3702 | Q | 30.3 | Very low | 30.1 | Very low | 141.5 Ų | 141.5 | 135.9 Ų | 135.9 | 66% | 0.661 | 71% | 0.712 | S | S | * | * | cis | 136.7 | 149.5 | 22.4 | -116.6 | -160.4 | 51 | 0 | 0 | 110.1 | Q3700 I3704 | Q3700-Q3702 HydrophobicContact CG-CG 4.45Å; Q3702-I3704 HydrophobicContact CG-CD1 4.14Å; Q3702-I3704 HydrophobicContact CG-CG1 4.12Å | ||
| 3703 | L | 25.3 | Very low | 30.3 | Very low | 151 Ų | 151 | 134.4 Ų | 134.4 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | -156.4 | 149 | 109.9 | -138.7 | 140.3 | 0 | 0 | 0 | 112.6 | |||||
| 3704 | I | 32.1 | Very low | 30.5 | Very low | 131.5 Ų | 131.5 | 135 Ų | 135 | 67% | 0.674 | 71% | 0.708 | S | S | * | * | trans | 148.2 | 129.3 | 179.3 | -61.4 | 176.6 | 0 | 0 | 0 | 113.3 | Q3702 | Q3702-I3704 HydrophobicContact CG-CD1 4.14Å; Q3702-I3704 HydrophobicContact CG-CG1 4.12Å | ||
| 3705 | R | 29 | Very low | 30.6 | Very low | 222.5 Ų | 222.5 | 137 Ų | 137 | 84% | 0.84 | 71% | 0.711 | S | S | * | * | 176.8 | 141.9 | 60.8 | -97.7 | 179.7 | -175 | 171.9 | 1.2 | 106.7 | |||||
| 3706 | S | 31.7 | Very low | 30.7 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 66% | 0.664 | 71% | 0.713 | S | S | * | * | cis | -146.2 | 160.3 | -6.8 | -68.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 3707 | S | 31.6 | Very low | 30.7 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | cis | 62.3 | 130.1 | 49.8 | -45.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 3708 | N | 31.4 | Very low | 30.6 | Very low | 138.5 Ų | 138.5 | 136.4 Ų | 136.4 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | cis | -137.3 | -175.5 | 2.7 | -89.5 | 25.1 | 0 | 0 | 0 | 108.6 | ||||
| 3709 | D | 31.1 | Very low | 30.4 | Very low | 126.5 Ų | 126.5 | 139.3 Ų | 139.3 | 68% | 0.676 | 72% | 0.724 | S | S | * | * | cis | -159.3 | 174 | 15.6 | -132.9 | -47.6 | 0 | 0 | 0 | 112.6 | ||||
| 3710 | R | 30.9 | Very low | 30.4 | Very low | 203.5 Ų | 203.5 | 141.5 Ų | 141.5 | 77% | 0.768 | 73% | 0.728 | S | S | * | * | trans | 108.3 | 157.9 | 161 | -94.7 | 169.2 | -166.6 | -138.4 | 2.4 | 118.1 | ||||
| 3711 | Q | 30.1 | Very low | 30.5 | Very low | 145.5 Ų | 145.5 | 140.3 Ų | 140.3 | 68% | 0.68 | 73% | 0.726 | S | S | * | * | cis | -153.5 | -139.1 | 0.4 | -149.3 | 167 | -51.3 | 0 | 0 | 114.2 | ||||
| 3712 | I | 32.1 | Very low | 30.4 | Very low | 142.5 Ų | 142.5 | 140.9 Ų | 140.9 | 73% | 0.731 | 73% | 0.729 | S | S | * | * | 143.1 | 143.5 | 76.2 | -88 | 167 | 0 | 0 | 0 | 114.4 | |||||
| 3713 | T | 29.6 | Very low | 30.5 | Very low | 114 Ų | 114 | 139 Ų | 139 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | trans | -28.2 | 151.4 | 178 | 59.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 3714 | T | 32.3 | Very low | 30.7 | Very low | 123.5 Ų | 123.5 | 140.4 Ų | 140.4 | 76% | 0.758 | 73% | 0.734 | S | S | * | * | -171.2 | 152.7 | 60.1 | 22.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 3715 | N | 28.6 | Very low | 30.7 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | trans | -7 | 159.8 | 148.9 | -52.2 | -1.8 | 0 | 0 | 0 | 118.7 | ||||
| 3716 | T | 30 | Very low | 30.6 | Very low | 115.5 Ų | 115.5 | 137 Ų | 137 | 71% | 0.709 | 74% | 0.737 | S | S | * | * | cis | -171.5 | 161.1 | 17.7 | -7.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 3717 | I | 31.9 | Very low | 30.4 | Very low | 160 Ų | 160 | 138.1 Ų | 138.1 | 82% | 0.821 | 74% | 0.743 | S | S | * | * | trans | 117.2 | 147.4 | 141.2 | -80.2 | 163.8 | 0 | 0 | 0 | 114.3 | ||||
| 3718 | S | 30.7 | Very low | 30.3 | Very low | 91 Ų | 91 | 141.5 Ų | 141.5 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | -117.6 | -176.9 | 93.2 | -76.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 3719 | E | 27.5 | Very low | 30.2 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | cis | -172.7 | 159.1 | -5.6 | -124.6 | 168.1 | -173.1 | 0 | 0 | 110.1 | ||||
| 3720 | M | 30.1 | Very low | 29.8 | Very low | 159.5 Ų | 159.5 | 146.1 Ų | 146.1 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | trans | 119.2 | 113.6 | 148.3 | -82.9 | -151.8 | 177.6 | 0 | 0 | 116.4 | ||||
| 3721 | N | 30.9 | Very low | 30 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 65% | 0.647 | 75% | 0.754 | S | S | * | * | 76.6 | 118.3 | 110.8 | -76.9 | -27.2 | 0 | 0 | 0 | 119.3 | |||||
| 3722 | Q | 32.2 | Very low | 29.8 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | 149.4 | 156 | 65 | -86.1 | 168.1 | 24.2 | 0 | 0 | 116.1 | |||||
| 3723 | S | 30.7 | Very low | 29.5 | Very low | 101.5 Ų | 101.5 | 148.1 Ų | 148.1 | 71% | 0.71 | 77% | 0.769 | S | S | * | * | 119.3 | 133.4 | -112.4 | 56 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 3724 | Q | 30.6 | Very low | 29.4 | Very low | 179.5 Ų | 179.5 | 150.8 Ų | 150.8 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | 157.2 | 136.5 | 155.5 | -66.6 | -175.5 | 1.1 | 0 | 0 | 113.2 | ||||
| 3725 | Q | 30.8 | Very low | 29.2 | Very low | 172.5 Ų | 172.5 | 148.6 Ų | 148.6 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | -150 | 157.6 | 78.5 | -103.7 | -177.7 | -0.2 | 0 | 0 | 111.2 | |||||
| 3726 | S | 28.6 | Very low | 29.2 | Very low | 109.5 Ų | 109.5 | 149.5 Ų | 149.5 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | 45.7 | 101.4 | 164.9 | 52.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 3727 | C | 26.5 | Very low | 29 | Very low | 120 Ų | 120 | 151.6 Ų | 151.6 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | 151.9 | 116.1 | 113.4 | -113.6 | 0 | 0 | 0 | 0 | 112.2 | Q3729 | C3727-Q3729 PolarHBondContact O-N 3.09Š| |||
| 3728 | Q | 29.5 | Very low | 28.8 | Very low | 172.5 Ų | 172.5 | 149.3 Ų | 149.3 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | -125.5 | 124.6 | -90.9 | -95.5 | -179.8 | 7.3 | 0 | 0 | 112.2 | |||||
| 3729 | Q | 29.2 | Very low | 28.7 | Very low | 160.5 Ų | 160.5 | 149.5 Ų | 149.5 | 75% | 0.75 | 78% | 0.783 | S | S | * | * | trans | 42.7 | 106 | 135.8 | -60.3 | -174.3 | 3.2 | 0 | 0 | 121.7 | C3727 | C3727-Q3729 PolarHBondContact O-N 3.09Š| ||
| 3730 | F | 23.6 | Very low | 28.8 | Very low | 201.5 Ų | 201.5 | 147.8 Ų | 147.8 | 88% | 0.884 | 78% | 0.784 | S | S | * | * | -3.3 | 154.8 | 126.4 | -71 | -78.5 | 0 | 0 | 0 | 116 | |||||
| 3731 | P | 34.2 | Very low | 28.6 | Very low | 107 Ų | 107 | 147.4 Ų | 147.4 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | trans | -134.2 | 142 | -143.2 | 37.7 | -21.8 | 0 | 0 | 0 | 115.5 | ||||
| 3732 | K | 26.5 | Very low | 28.4 | Very low | 196.5 Ų | 196.5 | 146.2 Ų | 146.2 | 85% | 0.854 | 79% | 0.787 | S | S | * | * | trans | 38.6 | 119.2 | 149.4 | -71.5 | 171.1 | -179.7 | 174.7 | 0 | 119.7 | ||||
| 3733 | R | 25.9 | Very low | 28.3 | Very low | 230.5 Ų | 230.5 | 146.1 Ų | 146.1 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | trans | 168 | 124.7 | 139.7 | -110.7 | -177.5 | 172.8 | 176.3 | -1.3 | 116.1 | ||||
| 3734 | H | 28.2 | Very low | 28.2 | Very low | 170 Ų | 170 | 150.6 Ų | 150.6 | 79% | 0.787 | 79% | 0.792 | S | S | * | * | trans | -24.6 | 143.2 | 162.8 | -82 | -79.3 | 0 | 0 | 0 | 114.2 | ||||
| 3735 | A | 26.5 | Very low | 28.2 | Very low | 78 Ų | 78 | 147 Ų | 147 | 65% | 0.645 | 79% | 0.786 | S | S | * | * | 108.9 | 140.1 | -113.9 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 3736 | I | 29.5 | Very low | 28.2 | Very low | 161 Ų | 161 | 148.9 Ų | 148.9 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | trans | 145.5 | 131.9 | 135.8 | -86.2 | 158.2 | 0 | 0 | 0 | 113.8 | ||||
| 3737 | L | 26.4 | Very low | 28.3 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -7 | 131.1 | 164.8 | -66.4 | 130.4 | 0 | 0 | 0 | 118 | ||||
| 3738 | S | 26.3 | Very low | 28.6 | Very low | 111.5 Ų | 111.5 | 147.2 Ų | 147.2 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | 143.3 | 135.5 | 141.8 | 60.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 3739 | A | 29.1 | Very low | 28.6 | Very low | 96.5 Ų | 96.5 | 145.6 Ų | 145.6 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | trans | 20.8 | 147.2 | 158 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 3740 | T | 29.4 | Very low | 28.6 | Very low | 132 Ų | 132 | 145 Ų | 145 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | trans | -9.8 | 126.5 | 172.6 | 56.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 3741 | D | 25.2 | Very low | 28.7 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | 140.6 | 145.1 | 93.4 | -107.2 | -49 | 0 | 0 | 0 | 113.3 | |||||
| 3742 | S | 26.8 | Very low | 28.5 | Very low | 97.5 Ų | 97.5 | 143.8 Ų | 143.8 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | 119.5 | 126.2 | -105 | -88.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 3743 | L | 31.1 | Very low | 28.9 | Very low | 161.5 Ų | 161.5 | 139.8 Ų | 139.8 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | trans | 168.4 | 122.4 | 138.6 | -93.7 | 165.8 | 0 | 0 | 0 | 114 | S3745 | L3743-S3745 PolarHBondContact O-N 3.14Å; L3743-S3745 VanDerWaalsContact O-N 3.17Å | ||
| 3744 | R | 29.2 | Very low | 29 | Very low | 195 Ų | 195 | 134.7 Ų | 134.7 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | -6.2 | 90.7 | 169.4 | -77.1 | -167.8 | -178.5 | 172.6 | 6.6 | 113 | E3067 E3327 | E3067-R3744 IonicContact OE1-NH2 2.66Å; E3067-R3744 IonicContact OE2-NH2 2.9Å; E3327-R3744 IonicContact OE2-CZ 3.77Å; E3327-R3744 IonicContact OE2-NH1 3.22Å; E3327-R3744 PolarHBondContact OE2-NH1 2.98Å | ||
| 3745 | S | 29.1 | Very low | 29.1 | Very low | 103.5 Ų | 103.5 | 130.1 Ų | 130.1 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | 164.8 | 96.4 | 89.6 | -45.7 | 0 | 0 | 0 | 0 | 114.2 | L3743 S3747 | L3743-S3745 PolarHBondContact O-N 3.14Å; L3743-S3745 VanDerWaalsContact O-N 3.17Å; S3745-S3747 PolarHBondContact O-N 3.09Å | |||
| 3746 | R | 31.9 | Very low | 29.1 | Very low | 212.5 Ų | 212.5 | 132 Ų | 132 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | trans | -134.6 | 124.5 | 158.9 | -91 | -178.8 | 171 | 174.2 | -5.1 | 109.1 | E3327 | E3327-R3746 IonicContact OE1-CZ 2.95Å; E3327-R3746 IonicContact OE1-NH1 3.94Å; E3327-R3746 PolarHBondContact OE1-NH1 3.17Å | ||
| 3747 | S | 30.1 | Very low | 29.1 | Very low | 86.5 Ų | 86.5 | 131.4 Ų | 131.4 | 61% | 0.605 | 76% | 0.759 | S | S | * | * | -111.6 | 146.5 | 78.2 | -146.3 | 0 | 0 | 0 | 0 | 110.2 | S3745 D3749 | S3745-S3747 PolarHBondContact O-N 3.09Å; S3747-D3749 PolarHBondContact OG-OD2 2.68Å | |||
| 3748 | I | 32.8 | Very low | 29.1 | Very low | 107.5 Ų | 107.5 | 131.5 Ų | 131.5 | 55% | 0.551 | 76% | 0.76 | S | S | * | * | trans | 153.2 | 108.2 | 155.6 | -59.8 | 167.2 | 0 | 0 | 0 | 111.9 | ||||
| 3749 | D | 29.8 | Very low | 29.3 | Very low | 139.5 Ų | 139.5 | 131.2 Ų | 131.2 | 75% | 0.746 | 76% | 0.758 | S | S | * | * | -132.4 | 169.7 | -109.8 | -96.5 | -69 | 0 | 0 | 0 | 107.8 | S3747 | S3747-D3749 PolarHBondContact OG-OD2 2.68Š| |||
| 3750 | E | 28.5 | Very low | 29.2 | Very low | 148.5 Ų | 148.5 | 133.9 Ų | 133.9 | 69% | 0.694 | 76% | 0.759 | S | S | * | * | -124.9 | 138.6 | 95.1 | -114.1 | 173 | 164.6 | 0 | 0 | 112 | M3752 | E3750-M3752 PolarHBondContact O-N 2.96Š| |||
| 3751 | C | 26.7 | Very low | 29.3 | Very low | 109.5 Ų | 109.5 | 134.1 Ų | 134.1 | 74% | 0.74 | 76% | 0.76 | S | S | * | * | trans | 22.3 | 96.9 | 151.2 | -57.1 | 0 | 0 | 0 | 0 | 121.5 | P3753 | C3751-P3753 WeakPolarHBondContact O-CD 3.36Š| ||
| 3752 | M | 30.4 | Very low | 29.3 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | trans | -84.5 | 144.6 | 132.7 | -70.8 | -82.5 | 99.3 | 0 | 0 | 108.7 | E3750 | E3750-M3752 PolarHBondContact O-N 2.96Š| ||
| 3753 | P | 34.7 | Very low | 29.3 | Very low | 112 Ų | 112 | 140 Ų | 140 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -118.6 | 142.2 | 140.5 | 35.4 | -27.3 | 0 | 0 | 0 | 113.5 | C3751 G3755 | C3751-P3753 WeakPolarHBondContact O-CD 3.36Å; P3753-G3755 VanDerWaalsContact C-N 3.25Å; P3753-G3755 PolarHBondContact O-N 3.14Å | ||
| 3754 | S | 27.7 | Very low | 29.2 | Very low | 123.5 Ų | 123.5 | 143.5 Ų | 143.5 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | -132 | 117.1 | 128.8 | -59 | 0 | 0 | 0 | 0 | 109.9 | S3756 | S3754-S3756 PolarHBondContact O-N 3.04Š| |||
| 3755 | G | 29.1 | Very low | 29 | Very low | 73 Ų | 73 | 140.1 Ų | 140.1 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | -120.3 | 137.7 | 87.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P3753 I3757 | P3753-G3755 VanDerWaalsContact C-N 3.25Å; P3753-G3755 PolarHBondContact O-N 3.14Å; G3755-I3757 PolarHBondContact O-N 2.91Å | |||
| 3756 | S | 26.3 | Very low | 29 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -100.3 | 142.8 | -173.2 | 126.3 | 0 | 0 | 0 | 0 | 113.4 | S3754 | S3754-S3756 PolarHBondContact O-N 3.04Š| ||
| 3757 | I | 30.4 | Very low | 28.8 | Very low | 149 Ų | 149 | 136 Ų | 136 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | -175.7 | 121.8 | 165.4 | -61.6 | 171.7 | 0 | 0 | 0 | 112.8 | G3755 | G3755-I3757 PolarHBondContact O-N 2.91Š| ||
| 3758 | N | 25.6 | Very low | 28.8 | Very low | 160.5 Ų | 160.5 | 138.1 Ų | 138.1 | 86% | 0.858 | 79% | 0.792 | S | S | * | * | trans | -90.8 | 132.4 | 164.5 | -81.2 | -15.9 | 0 | 0 | 0 | 109.8 | ||||
| 3759 | S | 30.5 | Very low | 28.5 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | -151.4 | 118.5 | 160.1 | 55.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 3760 | N | 27.2 | Very low | 28.4 | Very low | 152.5 Ų | 152.5 | 138.1 Ų | 138.1 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | trans | -41.2 | 135.8 | 175 | -57.6 | -16.5 | 0 | 0 | 0 | 116.2 | ||||
| 3761 | T | 31.2 | Very low | 28.6 | Very low | 137.5 Ų | 137.5 | 139.1 Ų | 139.1 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | trans | 131.9 | 118.3 | 137.3 | -49.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 3762 | E | 27.1 | Very low | 28.8 | Very low | 188 Ų | 188 | 140.4 Ų | 140.4 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -110.3 | 161.7 | 157.3 | -102.3 | 172.4 | 167.1 | 0 | 0 | 111.2 | R3764 | E3762-R3764 PolarHBondContact O-N 3.4Š| ||
| 3763 | Q | 26.8 | Very low | 28.6 | Very low | 183.5 Ų | 183.5 | 142 Ų | 142 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | -77.6 | 151.2 | 174 | -62.2 | 172.9 | -17.5 | 0 | 0 | 109.6 | ||||
| 3764 | R | 27.6 | Very low | 28.1 | Very low | 233.5 Ų | 233.5 | 142.8 Ų | 142.8 | 88% | 0.881 | 80% | 0.803 | S | S | * | * | -164.7 | 126.6 | 98.7 | -160.4 | 176.2 | -173.7 | -171.5 | 2.1 | 112.5 | E3762 | E3762-R3764 PolarHBondContact O-N 3.4Š| |||
| 3765 | S | 26.4 | Very low | 28.3 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -4.1 | 148.5 | 166.8 | -51.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 3766 | G | 28.8 | Very low | 28.3 | Very low | 69.5 Ų | 69.5 | 147.6 Ų | 147.6 | 72% | 0.716 | 80% | 0.801 | S | S | * | * | -169.1 | 127.4 | 89.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 3767 | N | 27.1 | Very low | 28.6 | Very low | 162 Ų | 162 | 147.6 Ų | 147.6 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | -74.1 | 146.1 | -176.9 | -69.5 | -5.2 | 0 | 0 | 0 | 113.1 | ||||
| 3768 | V | 30.3 | Very low | 28.5 | Very low | 130.5 Ų | 130.5 | 147.4 Ų | 147.4 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | -159.1 | 123.6 | 121.9 | 168.8 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 3769 | L | 27.3 | Very low | 28.7 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | 18.9 | 139.2 | 118.3 | -82.8 | 113.5 | 0 | 0 | 0 | 116.5 | |||||
| 3770 | S | 27.8 | Very low | 28.8 | Very low | 97.5 Ų | 97.5 | 147.2 Ų | 147.2 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | cis | -170.7 | 175.5 | 41.3 | -1.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 3771 | Q | 32.1 | Very low | 28.9 | Very low | 170 Ų | 170 | 147.3 Ų | 147.3 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | 158.8 | 154 | 169.3 | -57.4 | 163.6 | -22 | 0 | 0 | 113.6 | ||||
| 3772 | T | 30 | Very low | 28.8 | Very low | 135 Ų | 135 | 148.4 Ų | 148.4 | 83% | 0.828 | 79% | 0.786 | S | S | * | * | -149.1 | 156.2 | 74.7 | 19.7 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 3773 | R | 26 | Very low | 28.9 | Very low | 208 Ų | 208 | 145.6 Ų | 145.6 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | -171.1 | 161.4 | 99 | -80.7 | -175.8 | 112.5 | 146.5 | 1.5 | 113 | |||||
| 3774 | D | 25.5 | Very low | 28.9 | Very low | 128.5 Ų | 128.5 | 140.3 Ų | 140.3 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | 165.3 | -168.8 | 80.1 | -61.5 | -45.8 | 0 | 0 | 0 | 113.6 | |||||
| 3775 | E | 31.4 | Very low | 29.1 | Very low | 176.5 Ų | 176.5 | 134.3 Ų | 134.3 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | cis | -144.2 | 161.4 | 13.2 | -109.6 | 179.5 | 154.5 | 0 | 0 | 113.5 | ||||
| 3776 | T | 28.8 | Very low | 29.3 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | -26.8 | 164.3 | 170.8 | 55.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 3777 | V | 33.1 | Very low | 29.4 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 70% | 0.703 | 76% | 0.756 | S | S | * | * | 140.2 | 127.9 | 109 | 179.3 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 3778 | D | 28.9 | Very low | 29.4 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | 47.5 | 152.6 | 156.5 | -60.7 | -21.4 | 0 | 0 | 0 | 121.6 | ||||
| 3779 | S | 29.9 | Very low | 29.3 | Very low | 98.5 Ų | 98.5 | 140.5 Ų | 140.5 | 69% | 0.689 | 75% | 0.751 | S | S | * | * | cis | -157.3 | 157.3 | 3.1 | -32 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 3780 | Q | 31.2 | Very low | 29.4 | Very low | 164.5 Ų | 164.5 | 136.9 Ų | 136.9 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | -72.8 | 148 | 69.9 | -91.8 | 168.1 | 49.9 | 0 | 0 | 115.6 | |||||
| 3781 | I | 29.9 | Very low | 29.5 | Very low | 153.5 Ų | 153.5 | 137.7 Ų | 137.7 | 79% | 0.787 | 75% | 0.748 | S | S | * | * | -63.3 | 127.4 | 95.9 | -61.3 | 168 | 0 | 0 | 0 | 116.7 | |||||
| 3782 | M | 29.3 | Very low | 29.3 | Very low | 160.5 Ų | 160.5 | 137.9 Ų | 137.9 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -144.1 | 153.8 | 143.6 | -111.4 | -112.2 | 173.8 | 0 | 0 | 112 | ||||
| 3783 | N | 29 | Very low | 29.2 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | -97.9 | 162.9 | -96.3 | -95.3 | -1.8 | 0 | 0 | 0 | 115.3 | T3785 | N3783-T3785 VanDerWaalsContact ND2-CG2 3.29Å; N3783-T3785 WeakPolarHBondContact ND2-CG2 3.28Å | |||
| 3784 | G | 27.6 | Very low | 29.3 | Very low | 71.5 Ų | 71.5 | 134.6 Ų | 134.6 | 74% | 0.737 | 74% | 0.735 | S | S | * | * | trans | 178.2 | 80.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 3785 | T | 31.5 | Very low | 29.4 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 67% | 0.669 | 74% | 0.736 | S | S | * | * | trans | -12.5 | 158.5 | 177.5 | 35.4 | 0 | 0 | 0 | 0 | 115.5 | N3783 | N3783-T3785 VanDerWaalsContact ND2-CG2 3.29Å; N3783-T3785 WeakPolarHBondContact ND2-CG2 3.28Å | ||
| 3786 | E | 29.1 | Very low | 29.2 | Very low | 154.5 Ų | 154.5 | 133.9 Ų | 133.9 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | cis | -153.5 | 169.7 | 10.1 | -126.1 | 155.4 | -151.6 | 0 | 0 | 112.4 | ||||
| 3787 | F | 31.4 | Very low | 29.2 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | trans | -16.8 | 145.5 | 171.4 | -68.1 | -65 | 0 | 0 | 0 | 120.2 | ||||
| 3788 | D | 28.4 | Very low | 28.8 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | cis | 115.3 | 172.6 | 39.8 | -80.1 | -5.2 | 0 | 0 | 0 | 113.3 | ||||
| 3789 | D | 27.4 | Very low | 28.8 | Very low | 151.5 Ų | 151.5 | 136.9 Ų | 136.9 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | cis | -158.5 | 175.7 | 5.9 | -165.4 | 9 | 0 | 0 | 0 | 111.5 | ||||
| 3790 | A | 29 | Very low | 28.6 | Very low | 73.5 Ų | 73.5 | 140 Ų | 140 | 61% | 0.607 | 74% | 0.735 | S | S | * | * | trans | -15.9 | 156 | 168.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 3791 | S | 29.9 | Very low | 28.3 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | 125.4 | 163.5 | 64.8 | 60.6 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 3792 | E | 28.1 | Very low | 28.1 | Very low | 175 Ų | 175 | 140.8 Ų | 140.8 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -114.3 | 176.5 | 156.2 | -83 | -174.9 | 138.5 | 0 | 0 | 114.3 | K3794 | E3792-K3794 WeakPolarHBondContact OE1-CE 3.2Å; E3792-K3794 IonicContact OE1-NZ 2.7Å; E3792-K3794 PolarHBondContact OE1-NZ 3.05Å; E3792-K3794 IonicContact OE2-NZ 3.22Å; E3792-K3794 PolarHBondContact OE2-NZ 2.77Å | ||
| 3793 | D | 27 | Very low | 28.1 | Very low | 127.5 Ų | 127.5 | 138.9 Ų | 138.9 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | -136 | 177.7 | 115.2 | -155.9 | 3.2 | 0 | 0 | 0 | 114.2 | |||||
| 3794 | K | 28.3 | Very low | 27.9 | Very low | 146 Ų | 146 | 140.7 Ų | 140.7 | 64% | 0.635 | 74% | 0.737 | S | S | * | * | trans | -67.2 | 158.4 | -165.2 | -54.8 | 151.9 | -157.8 | 81.2 | 0 | 113.9 | E3792 | E3792-K3794 WeakPolarHBondContact OE1-CE 3.2Å; E3792-K3794 IonicContact OE1-NZ 2.7Å; E3792-K3794 PolarHBondContact OE1-NZ 3.05Å; E3792-K3794 IonicContact OE2-NZ 3.22Å; E3792-K3794 PolarHBondContact OE2-NZ 2.77Å | ||
| 3795 | N | 27.9 | Very low | 27.9 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | -171.8 | 157.3 | 54.1 | -129.6 | -21.9 | 0 | 0 | 0 | 115.7 | |||||
| 3796 | Q | 27.2 | Very low | 27.5 | Very low | 158.5 Ų | 158.5 | 143.4 Ų | 143.4 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | trans | 52.4 | 137 | 150.5 | -85.7 | 173.2 | 60.5 | 0 | 0 | 124.6 | ||||
| 3797 | I | 29.3 | Very low | 27.3 | Very low | 156.5 Ų | 156.5 | 142.2 Ų | 142.2 | 80% | 0.803 | 74% | 0.742 | S | S | * | * | trans | 148.5 | 132.1 | 136.8 | -83.6 | 162.4 | 0 | 0 | 0 | 115.4 | ||||
| 3798 | N | 25.6 | Very low | 27.1 | Very low | 123.5 Ų | 123.5 | 141.3 Ų | 141.3 | 66% | 0.66 | 74% | 0.743 | S | S | * | * | trans | -3.9 | 151.2 | 175.6 | -83.4 | -6.3 | 0 | 0 | 0 | 122.1 | ||||
| 3799 | H | 27.1 | Very low | 26.8 | Very low | 166.5 Ų | 166.5 | 143 Ų | 143 | 77% | 0.771 | 75% | 0.747 | S | S | * | * | trans | 69.3 | 133.4 | 157 | -56.9 | -44.4 | 0 | 0 | 0 | 119.4 | ||||
| 3800 | Q | 25.7 | Very low | 26.8 | Very low | 162.5 Ų | 162.5 | 142.3 Ų | 142.3 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | 165 | 148.1 | 68.8 | -156.2 | 161 | -21.2 | 0 | 0 | 115.6 | |||||
| 3801 | E | 26 | Very low | 26.4 | Very low | 131 Ų | 131 | 146.8 Ų | 146.8 | 61% | 0.612 | 76% | 0.756 | S | S | * | * | trans | 47.4 | 97.1 | 160.6 | -70.6 | 168.6 | 109.9 | 0 | 0 | 120.1 | L3803 | E3801-L3803 HydrophobicContact CG-CD1 4.14Å; E3801-L3803 HydrophobicContact CG-CG 4.44Å; E3801-L3803 WeakPolarHBondContact OE1-CD1 3.26Å | ||
| 3802 | Q | 25.8 | Very low | 26.3 | Very low | 204 Ų | 204 | 149.8 Ų | 149.8 | 95% | 0.953 | 76% | 0.758 | S | S | * | * | trans | -100.4 | 109.2 | 132 | -82.6 | -168.7 | -13.2 | 0 | 0 | 109.4 | ||||
| 3803 | L | 28.2 | Very low | 26.3 | Very low | 120 Ų | 120 | 150.9 Ų | 150.9 | 63% | 0.628 | 76% | 0.76 | S | S | * | * | trans | -108.2 | 120.5 | 169.5 | -81.8 | 165 | 0 | 0 | 0 | 109.8 | E3801 | E3801-L3803 HydrophobicContact CG-CD1 4.14Å; E3801-L3803 HydrophobicContact CG-CG 4.44Å; E3801-L3803 WeakPolarHBondContact OE1-CD1 3.26Å | ||
| 3804 | L | 24.6 | Very low | 26.6 | Very low | 168 Ų | 168 | 149.5 Ų | 149.5 | 88% | 0.88 | 76% | 0.756 | S | S | * | * | trans | -103.7 | 131.8 | 132 | -76 | 84.3 | 0 | 0 | 0 | 105.4 | ||||
| 3805 | P | 27.6 | Very low | 26.9 | Very low | 96 Ų | 96 | 146.3 Ų | 146.3 | 62% | 0.623 | 75% | 0.752 | S | S | * | * | -148.1 | 149.2 | 104.5 | 37.3 | -22.3 | 0 | 0 | 0 | 115.7 | |||||
| 3806 | N | 23.6 | Very low | 27.9 | Very low | 141 Ų | 141 | 143.5 Ų | 143.5 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | 49.8 | 143 | 145.1 | -63.6 | -9.8 | 0 | 0 | 0 | 122 | I3808 | N3806-I3808 PolarHBondContact O-N 3.22Š| ||
| 3807 | P | 26 | Very low | 29.5 | Very low | 131 Ų | 131 | 137 Ų | 137 | 85% | 0.851 | 72% | 0.715 | S | S | * | * | trans | -73.1 | 113.9 | 177.2 | 30.7 | -34.3 | 0 | 0 | 0 | 111.6 | ||||
| 3808 | I | 25.8 | Very low | 31.5 | Very low | 153 Ų | 153 | 131 Ų | 131 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | trans | -86.4 | 143.7 | 166.1 | -66.4 | 178.8 | 0 | 0 | 0 | 109.5 | N3806 T3810 | N3806-I3808 PolarHBondContact O-N 3.22Å; I3808-T3810 PolarHBondContact O-N 3.06Å | ||
| 3809 | Q | 23.7 | Very low | 33.7 | Very low | 173 Ų | 173 | 125.1 Ų | 125.1 | 81% | 0.808 | 66% | 0.655 | S | S | * | * | trans | -50.2 | 120.1 | -179.6 | -66.8 | 156.6 | -13.4 | 0 | 0 | 111.8 | E3811 | Q3809-E3811 PolarHBondContact O-N 3.44Š| ||
| 3810 | T | 25.6 | Very low | 36 | Very low | 135 Ų | 135 | 117.3 Ų | 117.3 | 83% | 0.828 | 62% | 0.618 | S | S | * | * | trans | -80.5 | 69.4 | 173 | -35.7 | 0 | 0 | 0 | 0 | 110.2 | I3808 Q3812 | I3808-T3810 PolarHBondContact O-N 3.06Å; T3810-Q3812 PolarHBondContact O-N 3.14Å; T3810-Q3812 VanDerWaalsContact O-N 3.11Å | ||
| 3811 | E | 22.1 | Very low | 38.3 | Very low | 168 Ų | 168 | 111.2 Ų | 111.2 | 79% | 0.785 | 59% | 0.591 | S | S | * | * | trans | -58.2 | 115.8 | 159.8 | -73.5 | -162.7 | 141.3 | 0 | 0 | 107.9 | Q3809 K3813 | Q3809-E3811 PolarHBondContact O-N 3.44Å; E3811-K3813 PolarHBondContact O-N 2.91Å | ||
| 3812 | Q | 27.7 | Very low | 40.5 | Very low | 178 Ų | 178 | 107.8 Ų | 107.8 | 83% | 0.832 | 58% | 0.58 | S | S | * | * | trans | -69.3 | 85 | 175.8 | -75.7 | -173.7 | -23.1 | 0 | 0 | 109.4 | T3810 T3814 | T3810-Q3812 PolarHBondContact O-N 3.14Å; T3810-Q3812 VanDerWaalsContact O-N 3.11Å; Q3812-T3814 VanDerWaalsContact C-N 3.28Å; Q3812-T3814 PolarHBondContact O-N 3.4Å | ||
| 3813 | K | 26.8 | Very low | 42.5 | Very low | 198 Ų | 198 | 102.3 Ų | 102.3 | 86% | 0.861 | 56% | 0.564 | S | S | * | * | trans | -67 | 87.6 | 175.9 | -164.1 | 171.4 | -170.3 | 172.2 | 0 | 109 | E3811 S3815 | E3811-K3813 PolarHBondContact O-N 2.91Å; K3813-S3815 PolarHBondContact O-N 3.16Å | ||
| 3814 | T | 33.7 | Very low | 44.5 | Very low | 98 Ų | 98 | 98.8 Ų | 98.8 | 60% | 0.601 | 55% | 0.545 | S | S | * | . | trans | -50 | 111 | -176.1 | 52.3 | 0 | 0 | 0 | 0 | 110.3 | Q3812 T3816 | Q3812-T3814 VanDerWaalsContact C-N 3.28Å; Q3812-T3814 PolarHBondContact O-N 3.4Å; T3814-T3816 PolarHBondContact O-N 3.25Å | ||
| 3815 | S | 36.1 | Very low | 47 | Very low | 79 Ų | 79 | 90.8 Ų | 90.8 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | trans | -71.2 | 93.3 | -176 | 54.6 | 0 | 0 | 0 | 0 | 110.3 | K3813 G3817 | K3813-S3815 PolarHBondContact O-N 3.16Å; S3815-G3817 PolarHBondContact O-N 3.42Å | ||
| 3816 | T | 48.6 | Very low | 49.3 | Very low | 73 Ų | 73 | 90.9 Ų | 90.9 | 45% | 0.448 | 50% | 0.503 | S | S | . | . | trans | -64.2 | 106.2 | 173.9 | 52 | 0 | 0 | 0 | 0 | 109.4 | R3581 T3814 | R3581-T3816 CarbonylContact O-C 3.4Å; R3581-T3816 WeakPolarHBondContact O-CA 3.21Å; T3814-T3816 PolarHBondContact O-N 3.25Å | ||
| 3817 | G | 60.3 | Low | 52.1 | Low | 22 Ų | 22 | 87.3 Ų | 87.3 | 23% | 0.227 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 150.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R3581 C3582 R3583 S3815 | R3581-G3817 PolarHBondContact O-N 3.27Å; R3581-G3817 VanDerWaalsContact O-N 3.13Å; R3581-G3817 VanDerWaalsContact O-O 3.08Å; C3582-G3817 CarbonylContact C-O 3.27Å; C3582-G3817 VanDerWaalsContact CA-O 3.32Å; C3582-G3817 WeakPolarHBondContact CA-O 3.46Å; R3583-G3817 PolarHBondContact N-O 3.43Å; S3815-G3817 PolarHBondContact O-N 3.42Å |
| 3818 | V | 70.8 | Confident | 55 | Low | 31 Ų | 31 | 84.9 Ų | 84.9 | 19% | 0.188 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 129.3 | 158.2 | 172.3 | 0 | 0 | 0 | 0 | 106.8 | R3583 K3585 L3820 D3821 | R3583-V3818 WeakPolarHBondContact O-CA 3.37Å; K3585-V3818 HydrophobicContact CB-CG1 3.85Å; K3585-V3818 HydrophobicContact CD-CG1 4.31Å; K3585-V3818 HydrophobicContact CG-CG1 4.35Å; V3818-L3820 VanDerWaalsContact C-N 3.28Å; V3818-L3820 PolarHBondContact O-N 3.5Å; V3818-D3821 HydrophobicContact CB-CB 4.28Å |
| 3819 | L | 71.9 | Confident | 58 | Low | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -39.1 | -178.9 | -169.8 | 69.7 | 0 | 0 | 0 | 111.4 | I3565 L3568 L3572 C3582 D3821 F3857 | I3565-L3819 HydrophobicContact CD1-CD1 3.76Å; I3565-L3819 HydrophobicContact CD1-CG 4.01Å; I3565-L3819 WeakPolarHBondContact CD1-O 3.33Å; L3568-L3819 HydrophobicContact CB-CD1 3.89Å; L3572-L3819 HydrophobicContact CD1-CD2 4.39Å; L3572-L3819 HydrophobicContact CD2-CD2 3.86Å; C3582-L3819 HydrophobicContact CB-CB 4.18Å; C3582-L3819 HydrophobicContact CB-CD1 4.16Å; L3819-D3821 PolarHBondContact O-N 2.76Å; L3819-F3857 HydrophobicContact CB-CD1 4.49Å; L3819-F3857 HydrophobicContact CB-CE1 3.89Å; L3819-F3857 HydrophobicContact CD2-CD1 3.87Å; L3819-F3857 HydrophobicContact CD2-CE1 3.78Å |
| 3820 | L | 75.6 | Confident | 61 | Low | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.005 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 49.7 | -177.3 | -56.6 | 174.7 | 0 | 0 | 0 | 110.5 | V3818 P3822 T3834 F3857 D3860 A3861 F3865 | V3818-L3820 VanDerWaalsContact C-N 3.28Å; V3818-L3820 PolarHBondContact O-N 3.5Å; L3820-P3822 VanDerWaalsContact O-CD 3.32Å; L3820-P3822 WeakPolarHBondContact O-CD 3.4Å; L3820-T3834 HydrophobicContact CD2-CG2 4.36Å; L3820-F3857 HydrophobicContact CD1-CD1 4.42Å; L3820-D3860 HydrophobicContact CD1-CB 3.97Å; L3820-A3861 HydrophobicContact CD1-CB 3.85Å; L3820-F3865 HydrophobicContact CB-CE2 3.95Å; L3820-F3865 HydrophobicContact CD2-CE2 4.08Å |
| 3821 | D | 73.9 | Confident | 64.1 | Low | 36 Ų | 36 | 65.8 Ų | 65.8 | 19% | 0.193 | 36% | 0.364 | C | S | . | . | trans | -80.6 | 117.3 | 179.6 | -159.4 | -45.9 | 0 | 0 | 0 | 111.3 | V3818 L3819 S3823 I3824 L3825 | V3818-D3821 HydrophobicContact CB-CB 4.28Å; L3819-D3821 PolarHBondContact O-N 2.76Å; D3821-S3823 VanDerWaalsContact CG-OG 3.26Å; D3821-S3823 PolarHBondContact O-N 3.36Å; D3821-S3823 VanDerWaalsContact O-N 3.16Å; D3821-S3823 WeakPolarHBondContact OD1-CB 3.36Å; D3821-S3823 PolarHBondContact OD1-N 3.5Å; D3821-S3823 PolarHBondContact OD1-OG 3.04Å; D3821-I3824 HydrophobicContact CB-CB 4.48Å; D3821-I3824 HydrophobicContact CB-CD1 4.1Å; D3821-I3824 HydrophobicContact CB-CG1 4.17Å; D3821-I3824 PolarHBondContact O-N 3.2Å; D3821-I3824 VanDerWaalsContact O-N 3.07Å; D3821-L3825 PolarHBondContact O-N 3.44Å | ||
| 3822 | P | 71.8 | Confident | 67.3 | Low | 58 Ų | 58 | 57.9 Ų | 57.9 | 38% | 0.377 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19.4 | 178.7 | -22.4 | 35.3 | 0 | 0 | 0 | 114.3 | L3820 I3824 V3864 | L3820-P3822 VanDerWaalsContact O-CD 3.32Å; L3820-P3822 WeakPolarHBondContact O-CD 3.4Å; P3822-I3824 VanDerWaalsContact C-N 3.3Å; P3822-V3864 HydrophobicContact CG-CG1 3.71Å |
| 3823 | S | 67.6 | Low | 70.3 | Confident | 89 Ų | 89 | 49.7 Ų | 49.7 | 62% | 0.622 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -16.1 | 176.4 | 66.4 | 0 | 0 | 0 | 0 | 113.6 | D3821 | D3821-S3823 VanDerWaalsContact CG-OG 3.26Å; D3821-S3823 PolarHBondContact O-N 3.36Å; D3821-S3823 VanDerWaalsContact O-N 3.16Å; D3821-S3823 WeakPolarHBondContact OD1-CB 3.36Å; D3821-S3823 PolarHBondContact OD1-N 3.5Å; D3821-S3823 PolarHBondContact OD1-OG 3.04Å |
| 3824 | I | 70.9 | Confident | 73.4 | Confident | 46 Ų | 46 | 40.3 Ų | 40.3 | 24% | 0.236 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -35.3 | 177.9 | -52.1 | 175.3 | 0 | 0 | 0 | 110.2 | V3560 H3562 D3821 P3822 T3826 | V3560-I3824 HydrophobicContact CB-CD1 3.99Å; V3560-I3824 HydrophobicContact CG1-CD1 4.22Å; V3560-I3824 HydrophobicContact CG1-CG2 4.23Å; H3562-I3824 PolarHBondContact CE1-O 2.83Å; H3562-I3824 PolarHBondContact NE2-O 2.76Å; D3821-I3824 HydrophobicContact CB-CB 4.48Å; D3821-I3824 HydrophobicContact CB-CD1 4.1Å; D3821-I3824 HydrophobicContact CB-CG1 4.17Å; D3821-I3824 PolarHBondContact O-N 3.2Å; D3821-I3824 VanDerWaalsContact O-N 3.07Å; P3822-I3824 VanDerWaalsContact C-N 3.3Å; I3824-T3826 PolarHBondContact O-N 2.82Å |
| 3825 | L | 76.8 | Confident | 76.1 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -96 | 63.7 | 177.2 | -57.4 | 178.5 | 0 | 0 | 0 | 110.4 | I3565 D3821 T3830 Q3831 F3865 | I3565-L3825 HydrophobicContact CB-CD2 4.41Å; I3565-L3825 HydrophobicContact CD1-CD1 4.3Å; I3565-L3825 HydrophobicContact CD1-CD2 4.28Å; I3565-L3825 HydrophobicContact CG1-CD2 3.93Å; I3565-L3825 HydrophobicContact CG2-CD2 4.44Å; D3821-L3825 PolarHBondContact O-N 3.44Å; L3825-T3830 HydrophobicContact CD2-CG2 3.92Å; L3825-Q3831 HydrophobicContact CB-CG 4.04Å; L3825-Q3831 WeakPolarHBondContact O-CG 3.27Å; L3825-Q3831 PolarHBondContact O-NE2 2.99Å; L3825-F3865 HydrophobicContact CB-CE1 4.33Å; L3825-F3865 HydrophobicContact CB-CZ 3.87Å; L3825-F3865 HydrophobicContact CD1-CE2 3.99Å; L3825-F3865 HydrophobicContact CD1-CZ 3.85Å; L3825-F3865 HydrophobicContact CG-CZ 4.47Å | ||
| 3826 | T | 75.7 | Confident | 78.8 | Confident | 99 Ų | 99 | 31.9 Ų | 31.9 | 61% | 0.607 | 19% | 0.193 | S | C | * | . | trans | -77.4 | -21.4 | -176.7 | 57.5 | 0 | 0 | 0 | 0 | 114.3 | I3824 | I3824-T3826 PolarHBondContact O-N 2.82Š| ||
| 3827 | D | 83.5 | Confident | 80.9 | Confident | 65 Ų | 65 | 28.4 Ų | 28.4 | 35% | 0.348 | 17% | 0.172 | S | C | . | . | trans | -96.5 | 129.1 | -176.2 | 158.3 | 48.3 | 0 | 0 | 0 | 112 | A3829 T3830 Q3831 | D3827-A3829 VanDerWaalsContact C-N 3.28Å; D3827-A3829 PolarHBondContact O-N 3.28Å; D3827-A3829 PolarHBondContact OD1-N 3.32Å; D3827-T3830 PolarHBondContact O-N 3.05Å; D3827-T3830 VanDerWaalsContact OD2-CB 3.27Å; D3827-T3830 WeakPolarHBondContact OD2-CB 3.14Å; D3827-T3830 PolarHBondContact OD2-N 2.8Å; D3827-T3830 PolarHBondContact OD2-OG1 3.27Å; D3827-Q3831 VanDerWaalsContact O-CG 3.29Å; D3827-Q3831 WeakPolarHBondContact O-CG 3.41Å; D3827-Q3831 PolarHBondContact O-N 3.15Å | ||
| 3828 | E | 85.9 | Confident | 82.4 | Confident | 81 Ų | 81 | 27.4 Ų | 27.4 | 38% | 0.379 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -61.3 | -32.5 | 179.6 | -68.5 | -171.1 | 160.3 | 0 | 0 | 112.5 | A3832 R3867 V3868 | E3828-A3832 VanDerWaalsContact O-CB 3.29Å; E3828-A3832 WeakPolarHBondContact O-CB 3.34Å; E3828-A3832 PolarHBondContact O-N 3.35Å; E3828-R3867 IonicContact OE1-NH1 3.39Å; E3828-V3868 HydrophobicContact CB-CG1 3.85Å; E3828-V3868 HydrophobicContact CG-CG1 4.17Å |
| 3829 | A | 88.1 | Confident | 83.5 | Confident | 20 Ų | 20 | 25.9 Ų | 25.9 | 17% | 0.165 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.9 | -46.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D3827 Q3831 A3832 L3833 Y3916 I3920 | D3827-A3829 VanDerWaalsContact C-N 3.28Å; D3827-A3829 PolarHBondContact O-N 3.28Å; D3827-A3829 PolarHBondContact OD1-N 3.32Å; A3829-Q3831 VanDerWaalsContact C-N 3.33Å; A3829-Q3831 PolarHBondContact O-N 2.8Å; A3829-A3832 PolarHBondContact O-N 3.27Å; A3829-L3833 WeakPolarHBondContact O-CB 3.23Å; A3829-L3833 VanDerWaalsContact O-CG 3.28Å; A3829-L3833 WeakPolarHBondContact O-CG 3.48Å; A3829-L3833 PolarHBondContact O-N 2.64Å; A3829-Y3916 PolarHBondContact N-OH 3.05Å; A3829-I3920 HydrophobicContact CB-CD1 4.5Å; A3829-I3920 HydrophobicContact CB-CG2 4.28Å |
| 3830 | T | 88.6 | Confident | 84.5 | Confident | 17 Ų | 17 | 26 Ų | 26 | 10% | 0.104 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.9 | -40.2 | 174.9 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | F3517 I3565 L3825 D3827 T3834 | F3517-T3830 HydrophobicContact CE2-CG2 4.29Å; I3565-T3830 HydrophobicContact CG2-CG2 4.43Å; L3825-T3830 HydrophobicContact CD2-CG2 3.92Å; D3827-T3830 PolarHBondContact O-N 3.05Å; D3827-T3830 VanDerWaalsContact OD2-CB 3.27Å; D3827-T3830 WeakPolarHBondContact OD2-CB 3.14Å; D3827-T3830 PolarHBondContact OD2-N 2.8Å; D3827-T3830 PolarHBondContact OD2-OG1 3.27Å; T3830-T3834 WeakPolarHBondContact O-CB 3.31Å; T3830-T3834 PolarHBondContact O-N 2.65Å; T3830-T3834 PolarHBondContact O-OG1 3.34Å |
| 3831 | Q | 88.9 | Confident | 85.3 | Confident | 23 Ų | 23 | 26.3 Ų | 26.3 | 11% | 0.107 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.9 | -51.7 | 172.4 | -67.4 | 168 | 17.9 | 0 | 0 | 111.2 | L3825 D3827 A3829 L3833 T3834 I3835 F3865 V3868 | L3825-Q3831 HydrophobicContact CB-CG 4.04Å; L3825-Q3831 WeakPolarHBondContact O-CG 3.27Å; L3825-Q3831 PolarHBondContact O-NE2 2.99Å; D3827-Q3831 VanDerWaalsContact O-CG 3.29Å; D3827-Q3831 WeakPolarHBondContact O-CG 3.41Å; D3827-Q3831 PolarHBondContact O-N 3.15Å; A3829-Q3831 VanDerWaalsContact C-N 3.33Å; A3829-Q3831 PolarHBondContact O-N 2.8Å; Q3831-L3833 VanDerWaalsContact C-N 3.33Å; Q3831-L3833 PolarHBondContact O-N 3.22Å; Q3831-T3834 WeakPolarHBondContact O-CB 3.17Å; Q3831-T3834 PolarHBondContact O-N 3.22Å; Q3831-I3835 VanDerWaalsContact O-CG1 3.3Å; Q3831-I3835 WeakPolarHBondContact O-CG1 3.45Å; Q3831-I3835 PolarHBondContact O-N 3.37Å; Q3831-F3865 HydrophobicContact CB-CD1 4.37Å; Q3831-F3865 HydrophobicContact CB-CG 4.45Å; Q3831-F3865 HydrophobicContact CG-CD1 3.69Å; Q3831-F3865 HydrophobicContact CG-CE1 3.64Å; Q3831-F3865 HydrophobicContact CG-CG 4.21Å; Q3831-F3865 HydrophobicContact CG-CZ 4.12Å; Q3831-F3865 VanDerWaalsContact OE1-CD1 3.31Å; Q3831-V3868 HydrophobicContact CB-CG2 3.84Å |
| 3832 | A | 89.5 | Confident | 86.2 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.3 | -40.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E3828 A3829 I3835 A3836 V3868 Y3916 | E3828-A3832 VanDerWaalsContact O-CB 3.29Å; E3828-A3832 WeakPolarHBondContact O-CB 3.34Å; E3828-A3832 PolarHBondContact O-N 3.35Å; A3829-A3832 PolarHBondContact O-N 3.27Å; A3832-I3835 PolarHBondContact O-N 2.92Å; A3832-A3836 VanDerWaalsContact O-CB 3.24Å; A3832-A3836 WeakPolarHBondContact O-CB 3.48Å; A3832-A3836 PolarHBondContact O-N 3.09Å; A3832-V3868 HydrophobicContact CB-CB 4.3Å; A3832-Y3916 HydrophobicContact CB-CD1 4.2Å; A3832-Y3916 HydrophobicContact CB-CE1 3.77Å |
| 3833 | L | 91.4 | Very high | 87.1 | Confident | 6 Ų | 6 | 24.8 Ų | 24.8 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.3 | -42.5 | 175.2 | -70.6 | 174.2 | 0 | 0 | 0 | 112.5 | F3517 A3829 Q3831 I3835 A3836 V3837 I3920 F3922 | F3517-L3833 HydrophobicContact CB-CD1 4.21Å; F3517-L3833 HydrophobicContact CD1-CB 3.78Å; F3517-L3833 HydrophobicContact CD2-CB 4.15Å; F3517-L3833 HydrophobicContact CD2-CD1 4.1Å; F3517-L3833 HydrophobicContact CE1-CB 3.87Å; F3517-L3833 HydrophobicContact CE2-CB 4.23Å; F3517-L3833 HydrophobicContact CG-CB 3.93Å; F3517-L3833 HydrophobicContact CG-CD1 4.11Å; F3517-L3833 HydrophobicContact CZ-CB 4.09Å; A3829-L3833 WeakPolarHBondContact O-CB 3.23Å; A3829-L3833 VanDerWaalsContact O-CG 3.28Å; A3829-L3833 WeakPolarHBondContact O-CG 3.48Å; A3829-L3833 PolarHBondContact O-N 2.64Å; Q3831-L3833 VanDerWaalsContact C-N 3.33Å; Q3831-L3833 PolarHBondContact O-N 3.22Å; L3833-I3835 VanDerWaalsContact C-N 3.33Å; L3833-I3835 PolarHBondContact O-N 2.93Å; L3833-A3836 PolarHBondContact O-N 3.42Å; L3833-V3837 WeakPolarHBondContact O-CG2 3.38Å; L3833-V3837 PolarHBondContact O-N 3.28Å; L3833-I3920 HydrophobicContact CD1-CD1 4.34Å; L3833-I3920 HydrophobicContact CD2-CD1 3.72Å; L3833-I3920 HydrophobicContact CG-CD1 3.83Å; L3833-F3922 HydrophobicContact CD1-CD2 4.18Å; L3833-F3922 HydrophobicContact CD1-CE2 4.11Å; L3833-F3922 HydrophobicContact CD1-CZ 4.45Å; L3833-F3922 HydrophobicContact CD2-CB 3.59Å; L3833-F3922 HydrophobicContact CD2-CD1 3.69Å; L3833-F3922 HydrophobicContact CD2-CD2 3.63Å; L3833-F3922 HydrophobicContact CD2-CE1 4.31Å; L3833-F3922 HydrophobicContact CD2-CE2 4.27Å; L3833-F3922 HydrophobicContact CD2-CG 3.32Å |
| 3834 | T | 91.3 | Very high | 88.2 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.3 | -47.2 | 175.3 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | F3517 I3565 T3569 L3820 T3830 Q3831 V3837 L3838 | F3517-T3834 WeakPolarHBondContact CZ-OG1 3.46Å; I3565-T3834 HydrophobicContact CD1-CG2 4.2Å; I3565-T3834 HydrophobicContact CG1-CG2 4.02Å; T3569-T3834 HydrophobicContact CG2-CG2 4.29Å; L3820-T3834 HydrophobicContact CD2-CG2 4.36Å; T3830-T3834 WeakPolarHBondContact O-CB 3.31Å; T3830-T3834 PolarHBondContact O-N 2.65Å; T3830-T3834 PolarHBondContact O-OG1 3.34Å; Q3831-T3834 WeakPolarHBondContact O-CB 3.17Å; Q3831-T3834 PolarHBondContact O-N 3.22Å; T3834-V3837 PolarHBondContact O-N 2.89Å; T3834-L3838 PolarHBondContact O-N 3.39Å |
| 3835 | I | 91 | Very high | 89.1 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.2 | -36.5 | 179.3 | -64.5 | 166.9 | 0 | 0 | 0 | 111.3 | Q3831 A3832 L3833 L3838 T3839 L3858 A3861 F3865 V3868 F3869 I3872 | Q3831-I3835 VanDerWaalsContact O-CG1 3.3Å; Q3831-I3835 WeakPolarHBondContact O-CG1 3.45Å; Q3831-I3835 PolarHBondContact O-N 3.37Å; A3832-I3835 PolarHBondContact O-N 2.92Å; L3833-I3835 VanDerWaalsContact C-N 3.33Å; L3833-I3835 PolarHBondContact O-N 2.93Å; I3835-L3838 PolarHBondContact O-N 2.98Å; I3835-T3839 WeakPolarHBondContact O-CB 2.99Å; I3835-T3839 PolarHBondContact O-N 2.72Å; I3835-T3839 PolarHBondContact O-OG1 3.06Å; I3835-L3858 HydrophobicContact CG2-CD2 4.35Å; I3835-A3861 HydrophobicContact CD1-CB 4.48Å; I3835-A3861 HydrophobicContact CG1-CB 4.2Å; I3835-F3865 HydrophobicContact CD1-CB 3.87Å; I3835-F3865 HydrophobicContact CD1-CD2 4.18Å; I3835-F3865 HydrophobicContact CD1-CG 4.39Å; I3835-V3868 HydrophobicContact CD1-CG2 3.83Å; I3835-F3869 HydrophobicContact CG2-CD2 4.18Å; I3835-F3869 HydrophobicContact CG2-CE2 4.44Å; I3835-I3872 HydrophobicContact CG2-CB 4.42Å; I3835-I3872 HydrophobicContact CG2-CD1 3.47Å; I3835-I3872 VanDerWaalsContact CG2-CD1 3.47Å; I3835-I3872 HydrophobicContact CG2-CG1 3.76Å; I3835-I3872 HydrophobicContact CG2-CG2 3.88Å |
| 3836 | A | 91.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.2 | -34.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A3832 L3833 T3840 I3872 L3917 L3925 | A3832-A3836 VanDerWaalsContact O-CB 3.24Å; A3832-A3836 WeakPolarHBondContact O-CB 3.48Å; A3832-A3836 PolarHBondContact O-N 3.09Å; L3833-A3836 PolarHBondContact O-N 3.42Å; A3836-T3840 VanDerWaalsContact O-CB 3.3Å; A3836-T3840 WeakPolarHBondContact O-CB 3.48Å; A3836-T3840 PolarHBondContact O-N 2.6Å; A3836-T3840 PolarHBondContact O-OG1 3.14Å; A3836-I3872 HydrophobicContact CB-CG2 4.33Å; A3836-L3917 HydrophobicContact CB-CD1 4.05Å; A3836-L3917 HydrophobicContact CB-CD2 4.05Å; A3836-L3925 HydrophobicContact CB-CD2 4.05Å |
| 3837 | V | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.7 | -48.7 | 172.6 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | F3517 V3520 L3524 T3569 L3833 T3834 T3839 T3840 L3841 L3925 | F3517-V3837 HydrophobicContact CD1-CG2 3.76Å; F3517-V3837 HydrophobicContact CE1-CG2 3.9Å; V3520-V3837 HydrophobicContact CG1-CG1 4.45Å; V3520-V3837 HydrophobicContact CG1-CG2 4.48Å; L3524-V3837 HydrophobicContact CD1-CG1 4.25Å; L3524-V3837 HydrophobicContact CD2-CG1 4.37Å; T3569-V3837 HydrophobicContact CG2-CB 4.14Å; T3569-V3837 HydrophobicContact CG2-CG1 3.78Å; L3833-V3837 WeakPolarHBondContact O-CG2 3.38Å; L3833-V3837 PolarHBondContact O-N 3.28Å; T3834-V3837 PolarHBondContact O-N 2.89Å; V3837-T3839 VanDerWaalsContact C-N 3.32Å; V3837-T3839 PolarHBondContact O-N 2.92Å; V3837-T3840 PolarHBondContact O-N 3.01Å; V3837-L3841 HydrophobicContact CG1-CD1 4.12Å; V3837-L3841 WeakPolarHBondContact O-CG 3.44Å; V3837-L3841 PolarHBondContact O-N 3.35Å; V3837-L3925 HydrophobicContact CG2-CD2 4.09Å |
| 3838 | L | 93 | Very high | 90.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.9 | -46.8 | 175.2 | -71.4 | 174.1 | 0 | 0 | 0 | 111.6 | T3569 L3572 T3834 I3835 T3840 L3841 V3842 L3854 F3857 L3858 | T3569-L3838 HydrophobicContact CG2-CD2 3.62Å; T3569-L3838 HydrophobicContact CG2-CG 3.63Å; L3572-L3838 HydrophobicContact CD2-CD2 3.9Å; T3834-L3838 PolarHBondContact O-N 3.39Å; I3835-L3838 PolarHBondContact O-N 2.98Å; L3838-T3840 PolarHBondContact O-N 3.22Å; L3838-L3841 PolarHBondContact O-N 2.9Å; L3838-V3842 WeakPolarHBondContact O-CG2 3.44Å; L3838-V3842 PolarHBondContact O-N 3.31Å; L3838-L3854 HydrophobicContact CD2-CD2 3.72Å; L3838-F3857 HydrophobicContact CD1-CB 4.36Å; L3838-L3858 HydrophobicContact CB-CD2 3.81Å; L3838-L3858 HydrophobicContact CB-CG 4.19Å; L3838-L3858 HydrophobicContact CD1-CD2 4.32Å |
| 3839 | T | 92.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.7 | -42 | 177.7 | -60.8 | 0 | 0 | 0 | 0 | 112.6 | I3835 V3837 L3841 V3842 R3843 I3872 L3875 L3876 | I3835-T3839 WeakPolarHBondContact O-CB 2.99Å; I3835-T3839 PolarHBondContact O-N 2.72Å; I3835-T3839 PolarHBondContact O-OG1 3.06Å; V3837-T3839 VanDerWaalsContact C-N 3.32Å; V3837-T3839 PolarHBondContact O-N 2.92Å; T3839-L3841 VanDerWaalsContact C-N 3.35Å; T3839-V3842 PolarHBondContact O-N 2.93Å; T3839-R3843 WeakPolarHBondContact O-CB 3.2Å; T3839-R3843 PolarHBondContact O-N 3.18Å; T3839-I3872 HydrophobicContact CG2-CB 4.24Å; T3839-I3872 WeakPolarHBondContact OG1-CD1 3.26Å; T3839-L3875 HydrophobicContact CG2-CB 3.53Å; T3839-L3875 HydrophobicContact CG2-CD1 4.39Å; T3839-L3876 HydrophobicContact CG2-CD2 3.82Å; T3839-L3876 HydrophobicContact CG2-CG 3.8Å |
| 3840 | T | 92.8 | Very high | 90.5 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.5 | -40.9 | 178.7 | -61.9 | 0 | 0 | 0 | 0 | 111.1 | L3524 A3836 V3837 L3838 R3843 Y3844 S3929 | L3524-T3840 HydrophobicContact CD1-CG2 4.25Å; A3836-T3840 VanDerWaalsContact O-CB 3.3Å; A3836-T3840 WeakPolarHBondContact O-CB 3.48Å; A3836-T3840 PolarHBondContact O-N 2.6Å; A3836-T3840 PolarHBondContact O-OG1 3.14Å; V3837-T3840 PolarHBondContact O-N 3.01Å; L3838-T3840 PolarHBondContact O-N 3.22Å; T3840-R3843 PolarHBondContact O-N 2.72Å; T3840-Y3844 HydrophobicContact CG2-CD2 4.28Å; T3840-Y3844 HydrophobicContact CG2-CE2 4.48Å; T3840-Y3844 WeakPolarHBondContact O-CD2 3.26Å; T3840-Y3844 PolarHBondContact O-N 2.99Å; T3840-S3929 VanDerWaalsContact CG2-CB 3.43Å |
| 3841 | L | 93.4 | Very high | 90.6 | Very high | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.1 | -46.1 | 173 | -73.2 | 164.1 | 0 | 0 | 0 | 112 | L3524 F3527 P3573 V3837 L3838 T3839 Y3844 T3845 L3854 | L3524-L3841 HydrophobicContact CD2-CD1 4.38Å; L3524-L3841 HydrophobicContact CD2-CD2 3.73Å; L3524-L3841 HydrophobicContact CD2-CG 4.02Å; F3527-L3841 HydrophobicContact CD2-CD2 4.27Å; F3527-L3841 HydrophobicContact CE2-CD2 4.47Å; P3573-L3841 HydrophobicContact CG-CD1 4.25Å; P3573-L3841 HydrophobicContact CG-CD2 4.42Å; V3837-L3841 HydrophobicContact CG1-CD1 4.12Å; V3837-L3841 WeakPolarHBondContact O-CG 3.44Å; V3837-L3841 PolarHBondContact O-N 3.35Å; L3838-L3841 PolarHBondContact O-N 2.9Å; T3839-L3841 VanDerWaalsContact C-N 3.35Å; L3841-Y3844 PolarHBondContact O-N 3.15Å; L3841-T3845 WeakPolarHBondContact O-CB 3.44Å; L3841-T3845 WeakPolarHBondContact O-CG2 3.47Å; L3841-T3845 PolarHBondContact O-N 3.45Å; L3841-L3854 HydrophobicContact CB-CD1 3.69Å; L3841-L3854 HydrophobicContact CB-CD2 4.03Å; L3841-L3854 HydrophobicContact CD1-CD2 4.03Å |
| 3842 | V | 92.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.3 | -43.2 | 176.7 | 168.7 | 0 | 0 | 0 | 0 | 112.4 | L3838 T3839 Y3844 L3854 Y3855 L3858 L3876 K3879 | L3838-V3842 WeakPolarHBondContact O-CG2 3.44Å; L3838-V3842 PolarHBondContact O-N 3.31Å; T3839-V3842 PolarHBondContact O-N 2.93Å; V3842-Y3844 VanDerWaalsContact C-N 3.33Å; V3842-Y3844 PolarHBondContact O-N 3.14Å; V3842-L3854 HydrophobicContact CG2-CB 3.32Å; V3842-L3854 HydrophobicContact CG2-CD1 3.96Å; V3842-L3854 HydrophobicContact CG2-CG 4.22Å; V3842-Y3855 HydrophobicContact CG1-CE1 3.87Å; V3842-Y3855 HydrophobicContact CG1-CE2 3.89Å; V3842-Y3855 VanDerWaalsContact CG1-CZ 3.48Å; V3842-Y3855 WeakPolarHBondContact CG1-OH 3.44Å; V3842-L3858 HydrophobicContact CB-CD1 4.45Å; V3842-L3858 HydrophobicContact CG2-CD1 3.77Å; V3842-L3876 HydrophobicContact CG1-CD2 4.13Å; V3842-K3879 HydrophobicContact CG1-CG 4.2Å; V3842-K3879 WeakPolarHBondContact O-CE 3.33Å; V3842-K3879 PolarHBondContact O-NZ 3.2Å; V3842-K3879 VanDerWaalsContact O-NZ 3.1Å |
| 3843 | R | 90.7 | Very high | 90.7 | Very high | 63 Ų | 63 | 30.1 Ų | 30.1 | 24% | 0.238 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.9 | -47.5 | -178.9 | -172.9 | 173.9 | 177.1 | 107.1 | -6.3 | 111 | T3839 T3840 L3875 K3879 | T3839-R3843 WeakPolarHBondContact O-CB 3.2Å; T3839-R3843 PolarHBondContact O-N 3.18Å; T3840-R3843 PolarHBondContact O-N 2.72Å; R3843-L3875 PolarHBondContact NH1-O 3.24Å; R3843-K3879 PolarHBondContact O-NZ 3.45Å |
| 3844 | Y | 89.9 | Confident | 90.8 | Very high | 43 Ų | 43 | 29.8 Ų | 29.8 | 17% | 0.169 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -100.6 | -3.9 | -173.4 | -62.5 | -71.8 | 0 | 0 | 0 | 116 | R3528 T3840 L3841 V3842 W3926 H3931 | R3528-Y3844 PolarHBondContact NE-O 3.4Å; T3840-Y3844 HydrophobicContact CG2-CD2 4.28Å; T3840-Y3844 HydrophobicContact CG2-CE2 4.48Å; T3840-Y3844 WeakPolarHBondContact O-CD2 3.26Å; T3840-Y3844 PolarHBondContact O-N 2.99Å; L3841-Y3844 PolarHBondContact O-N 3.15Å; V3842-Y3844 VanDerWaalsContact C-N 3.33Å; V3842-Y3844 PolarHBondContact O-N 3.14Å; Y3844-W3926 VanDerWaalsContact CE2-O 3.31Å; Y3844-W3926 WeakPolarHBondContact CE2-O 3.41Å; Y3844-W3926 PolarHBondContact OH-O 2.9Å; Y3844-H3931 AromaticContact CD1-CE1 3.93Å |
| 3845 | T | 89.7 | Confident | 90.8 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | trans | -76.9 | 148.1 | 171.8 | -169.3 | 0 | 0 | 0 | 0 | 112.8 | L3841 D3847 E3850 L3854 K3879 | L3841-T3845 WeakPolarHBondContact O-CB 3.44Å; L3841-T3845 WeakPolarHBondContact O-CG2 3.47Å; L3841-T3845 PolarHBondContact O-N 3.45Å; T3845-D3847 PolarHBondContact OG1-N 3.35Å; T3845-E3850 VanDerWaalsContact CB-OE2 3.32Å; T3845-E3850 WeakPolarHBondContact CB-OE2 3.27Å; T3845-E3850 HydrophobicContact CG2-CB 4.4Å; T3845-E3850 PolarHBondContact OG1-OE2 2.68Å; T3845-L3854 HydrophobicContact CG2-CD1 4.34Å; T3845-K3879 PolarHBondContact O-NZ 3.06Å | ||
| 3846 | T | 85.9 | Confident | 90.8 | Very high | 131 Ų | 131 | 30.5 Ų | 30.5 | 80% | 0.804 | 15% | 0.154 | S | C | * | . | trans | -120.8 | 0.7 | 176.8 | 53.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 3847 | D | 88.6 | Confident | 90.8 | Very high | 67 Ų | 67 | 30.8 Ų | 30.8 | 36% | 0.358 | 16% | 0.155 | S | C | . | . | trans | -94.3 | 129.6 | 175.8 | -177 | 0.1 | 0 | 0 | 0 | 110.5 | T3845 N3849 E3850 S3851 | T3845-D3847 PolarHBondContact OG1-N 3.35Å; D3847-N3849 PolarHBondContact O-N 3.17Å; D3847-N3849 WeakPolarHBondContact OD1-CB 3.43Å; D3847-N3849 PolarHBondContact OD1-N 3.29Å; D3847-N3849 PolarHBondContact OD1-ND2 3.21Å; D3847-E3850 HydrophobicContact CB-CB 4.13Å; D3847-E3850 HydrophobicContact CB-CG 3.97Å; D3847-E3850 PolarHBondContact O-N 2.72Å; D3847-S3851 WeakPolarHBondContact O-CB 3.26Å; D3847-S3851 PolarHBondContact O-N 3.19Å; D3847-S3851 PolarHBondContact O-OG 3.03Å | ||
| 3848 | E | 86.1 | Confident | 90.7 | Very high | 116 Ų | 116 | 30.8 Ų | 30.8 | 54% | 0.542 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -66.9 | -20.9 | 175.7 | -61.8 | -159.7 | 136.3 | 0 | 0 | 112.8 | S3851 R3852 | E3848-S3851 VanDerWaalsContact CA-OG 3.29Å; E3848-S3851 WeakPolarHBondContact CA-OG 3.22Å; E3848-S3851 PolarHBondContact O-OG 3.17Å; E3848-R3852 WeakPolarHBondContact O-CB 3.43Å; E3848-R3852 PolarHBondContact O-N 3.22Å |
| 3849 | N | 88.8 | Confident | 90.6 | Very high | 107 Ų | 107 | 30.8 Ų | 30.8 | 57% | 0.572 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -81 | -46.3 | 175.6 | -58 | -80.8 | 0 | 0 | 0 | 111.6 | D3847 V3853 | D3847-N3849 PolarHBondContact O-N 3.17Å; D3847-N3849 WeakPolarHBondContact OD1-CB 3.43Å; D3847-N3849 PolarHBondContact OD1-N 3.29Å; D3847-N3849 PolarHBondContact OD1-ND2 3.21Å; N3849-V3853 WeakPolarHBondContact O-CG2 3.46Å; N3849-V3853 PolarHBondContact O-N 3.04Å |
| 3850 | E | 90.6 | Very high | 90.4 | Very high | 26 Ų | 26 | 31 Ų | 31 | 12% | 0.121 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.4 | -52 | 172.8 | -68.6 | -165.8 | 160.4 | 0 | 0 | 110.8 | R3528 P3573 V3574 T3845 D3847 R3852 V3853 L3854 | R3528-E3850 IonicContact NH2-OE2 3.73Å; P3573-E3850 HydrophobicContact CB-CB 3.95Å; P3573-E3850 HydrophobicContact CB-CG 3.88Å; V3574-E3850 WeakPolarHBondContact CG1-OE1 3.43Å; T3845-E3850 VanDerWaalsContact CB-OE2 3.32Å; T3845-E3850 WeakPolarHBondContact CB-OE2 3.27Å; T3845-E3850 HydrophobicContact CG2-CB 4.4Å; T3845-E3850 PolarHBondContact OG1-OE2 2.68Å; D3847-E3850 HydrophobicContact CB-CB 4.13Å; D3847-E3850 HydrophobicContact CB-CG 3.97Å; D3847-E3850 PolarHBondContact O-N 2.72Å; E3850-R3852 PolarHBondContact O-N 3.34Å; E3850-V3853 PolarHBondContact O-N 3.12Å; E3850-L3854 WeakPolarHBondContact O-CD1 3.47Å; E3850-L3854 VanDerWaalsContact O-CG 3.27Å; E3850-L3854 WeakPolarHBondContact O-CG 3.44Å; E3850-L3854 PolarHBondContact O-N 3Å |
| 3851 | S | 90.3 | Very high | 90.2 | Very high | 13 Ų | 13 | 30.9 Ų | 30.9 | 9% | 0.091 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.8 | -41.3 | -176.8 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | D3847 E3848 V3853 L3854 Y3855 | D3847-S3851 WeakPolarHBondContact O-CB 3.26Å; D3847-S3851 PolarHBondContact O-N 3.19Å; D3847-S3851 PolarHBondContact O-OG 3.03Å; E3848-S3851 VanDerWaalsContact CA-OG 3.29Å; E3848-S3851 WeakPolarHBondContact CA-OG 3.22Å; E3848-S3851 PolarHBondContact O-OG 3.17Å; S3851-V3853 PolarHBondContact O-N 3.36Å; S3851-L3854 PolarHBondContact O-N 2.98Å; S3851-Y3855 WeakPolarHBondContact O-CB 3.28Å; S3851-Y3855 WeakPolarHBondContact O-CD2 3.36Å; S3851-Y3855 PolarHBondContact O-N 2.67Å |
| 3852 | R | 90.6 | Very high | 90 | Very high | 39 Ų | 39 | 30.6 Ų | 30.6 | 15% | 0.147 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -50.7 | -54.7 | 170.8 | 162.8 | -178.4 | -88.2 | 107.9 | -12.9 | 112.3 | E3848 E3850 L3854 Y3855 E3856 D3889 I3892 | E3848-R3852 WeakPolarHBondContact O-CB 3.43Å; E3848-R3852 PolarHBondContact O-N 3.22Å; E3850-R3852 PolarHBondContact O-N 3.34Å; R3852-L3854 VanDerWaalsContact C-N 3.33Å; R3852-L3854 PolarHBondContact O-N 2.95Å; R3852-Y3855 PolarHBondContact O-N 3.38Å; R3852-E3856 WeakPolarHBondContact O-CG 3.28Å; R3852-E3856 PolarHBondContact O-N 3.11Å; R3852-D3889 IonicContact CZ-OD1 3.33Å; R3852-D3889 IonicContact CZ-OD2 2.78Å; R3852-D3889 IonicContact NH1-OD1 3.21Å; R3852-D3889 IonicContact NH1-OD2 2.67Å; R3852-D3889 PolarHBondContact NH1-OD2 3.1Å; R3852-D3889 IonicContact NH2-OD1 2.77Å; R3852-D3889 PolarHBondContact NH2-OD1 2.76Å; R3852-D3889 IonicContact NH2-OD2 2.7Å; R3852-D3889 PolarHBondContact NH2-OD2 3.42Å; R3852-I3892 HydrophobicContact CB-CD1 4.32Å; R3852-I3892 HydrophobicContact CB-CG1 4.03Å |
| 3853 | V | 91 | Very high | 89.7 | Confident | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.9 | -45.5 | -177.3 | 172.2 | 0 | 0 | 0 | 0 | 109.9 | L3572 N3849 E3850 S3851 Y3855 E3856 F3857 | L3572-V3853 HydrophobicContact CG-CG1 4.25Å; N3849-V3853 WeakPolarHBondContact O-CG2 3.46Å; N3849-V3853 PolarHBondContact O-N 3.04Å; E3850-V3853 PolarHBondContact O-N 3.12Å; S3851-V3853 PolarHBondContact O-N 3.36Å; V3853-Y3855 PolarHBondContact O-N 3.05Å; V3853-E3856 PolarHBondContact O-N 3.11Å; V3853-F3857 HydrophobicContact CG1-CD2 4.19Å; V3853-F3857 HydrophobicContact CG1-CE2 4.3Å; V3853-F3857 WeakPolarHBondContact O-CD2 3.31Å; V3853-F3857 PolarHBondContact O-N 3.11Å; V3853-F3857 VanDerWaalsContact O-N 3.11Å |
| 3854 | L | 92.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.1 | -35.9 | -179.4 | -65.3 | 163.3 | 0 | 0 | 0 | 112.7 | P3573 L3838 L3841 V3842 T3845 E3850 S3851 R3852 F3857 L3858 | P3573-L3854 HydrophobicContact CB-CD1 4.16Å; P3573-L3854 HydrophobicContact CB-CD2 4.34Å; P3573-L3854 HydrophobicContact CB-CG 4.21Å; P3573-L3854 HydrophobicContact CG-CD2 4.31Å; L3838-L3854 HydrophobicContact CD2-CD2 3.72Å; L3841-L3854 HydrophobicContact CB-CD1 3.69Å; L3841-L3854 HydrophobicContact CB-CD2 4.03Å; L3841-L3854 HydrophobicContact CD1-CD2 4.03Å; V3842-L3854 HydrophobicContact CG2-CB 3.32Å; V3842-L3854 HydrophobicContact CG2-CD1 3.96Å; V3842-L3854 HydrophobicContact CG2-CG 4.22Å; T3845-L3854 HydrophobicContact CG2-CD1 4.34Å; E3850-L3854 WeakPolarHBondContact O-CD1 3.47Å; E3850-L3854 VanDerWaalsContact O-CG 3.27Å; E3850-L3854 WeakPolarHBondContact O-CG 3.44Å; E3850-L3854 PolarHBondContact O-N 3Å; S3851-L3854 PolarHBondContact O-N 2.98Å; R3852-L3854 VanDerWaalsContact C-N 3.33Å; R3852-L3854 PolarHBondContact O-N 2.95Å; L3854-F3857 PolarHBondContact O-N 2.92Å; L3854-L3858 WeakPolarHBondContact O-CB 3.47Å; L3854-L3858 WeakPolarHBondContact O-CG 3.17Å; L3854-L3858 PolarHBondContact O-N 3.39Å |
| 3855 | Y | 93.1 | Very high | 89.2 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.2 | -38.7 | 174.2 | -82.7 | -61.7 | 0 | 0 | 0 | 112.6 | V3842 S3851 R3852 V3853 F3857 L3858 A3859 K3879 V3883 I3892 V3896 I3899 | V3842-Y3855 HydrophobicContact CG1-CE1 3.87Å; V3842-Y3855 HydrophobicContact CG1-CE2 3.89Å; V3842-Y3855 VanDerWaalsContact CG1-CZ 3.48Å; V3842-Y3855 WeakPolarHBondContact CG1-OH 3.44Å; S3851-Y3855 WeakPolarHBondContact O-CB 3.28Å; S3851-Y3855 WeakPolarHBondContact O-CD2 3.36Å; S3851-Y3855 PolarHBondContact O-N 2.67Å; R3852-Y3855 PolarHBondContact O-N 3.38Å; V3853-Y3855 PolarHBondContact O-N 3.05Å; Y3855-F3857 VanDerWaalsContact C-N 3.31Å; Y3855-F3857 PolarHBondContact O-N 2.98Å; Y3855-L3858 HydrophobicContact CD1-CD1 4.49Å; Y3855-L3858 PolarHBondContact O-N 3.37Å; Y3855-A3859 WeakPolarHBondContact O-CB 3.32Å; Y3855-A3859 PolarHBondContact O-N 2.84Å; Y3855-K3879 VanDerWaalsContact OH-CG 3.27Å; Y3855-K3879 WeakPolarHBondContact OH-CG 3.3Å; Y3855-V3883 HydrophobicContact CE2-CG2 4.24Å; Y3855-I3892 HydrophobicContact CD2-CG2 3.72Å; Y3855-I3892 HydrophobicContact CE2-CG2 4Å; Y3855-I3892 HydrophobicContact CG-CG2 4.42Å; Y3855-V3896 HydrophobicContact CD1-CG2 3.58Å; Y3855-V3896 HydrophobicContact CE1-CG2 3.56Å; Y3855-V3896 HydrophobicContact CG-CG2 4.11Å; Y3855-I3899 HydrophobicContact CD1-CD1 4.12Å |
| 3856 | E | 90.9 | Very high | 88.9 | Confident | 14 Ų | 14 | 33.5 Ų | 33.5 | 7% | 0.065 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60 | -41 | 173.1 | -72.1 | 178 | 152.9 | 0 | 0 | 111.3 | L3584 T3591 R3852 V3853 A3859 D3860 | L3584-E3856 HydrophobicContact CD1-CB 4.16Å; T3591-E3856 WeakPolarHBondContact CB-OE1 3.42Å; T3591-E3856 WeakPolarHBondContact CG2-OE1 3.42Å; T3591-E3856 PolarHBondContact OG1-OE1 3.15Å; R3852-E3856 WeakPolarHBondContact O-CG 3.28Å; R3852-E3856 PolarHBondContact O-N 3.11Å; V3853-E3856 PolarHBondContact O-N 3.11Å; E3856-A3859 PolarHBondContact O-N 3.29Å; E3856-D3860 PolarHBondContact O-N 2.7Å |
| 3857 | F | 90 | Very high | 88.7 | Confident | 6 Ų | 6 | 36.5 Ų | 36.5 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73.4 | -31.7 | 175 | -84.7 | -96.3 | 0 | 0 | 0 | 114.1 | L3572 L3584 L3819 L3820 L3838 V3853 L3854 Y3855 A3861 | L3572-F3857 HydrophobicContact CD1-CD2 4.46Å; L3572-F3857 HydrophobicContact CD1-CE1 4.24Å; L3572-F3857 HydrophobicContact CD1-CE2 3.89Å; L3572-F3857 HydrophobicContact CD1-CZ 3.76Å; L3572-F3857 HydrophobicContact CD2-CB 4.18Å; L3572-F3857 HydrophobicContact CD2-CD1 3.83Å; L3572-F3857 HydrophobicContact CD2-CD2 3.73Å; L3572-F3857 HydrophobicContact CD2-CE1 4.1Å; L3572-F3857 HydrophobicContact CD2-CE2 4.01Å; L3572-F3857 HydrophobicContact CD2-CG 3.63Å; L3572-F3857 HydrophobicContact CD2-CZ 4.18Å; L3572-F3857 HydrophobicContact CG-CD2 4.41Å; L3572-F3857 HydrophobicContact CG-CE2 4.3Å; L3584-F3857 HydrophobicContact CD1-CD2 4.47Å; L3584-F3857 HydrophobicContact CD1-CE2 4.25Å; L3584-F3857 HydrophobicContact CD2-CB 4.24Å; L3584-F3857 HydrophobicContact CD2-CD1 3.55Å; L3584-F3857 HydrophobicContact CD2-CD2 3.6Å; L3584-F3857 HydrophobicContact CD2-CE1 3.68Å; L3584-F3857 HydrophobicContact CD2-CE2 3.73Å; L3584-F3857 HydrophobicContact CD2-CG 3.52Å; L3584-F3857 HydrophobicContact CD2-CZ 3.78Å; L3584-F3857 HydrophobicContact CG-CD1 4.45Å; L3584-F3857 HydrophobicContact CG-CD2 4.12Å; L3584-F3857 HydrophobicContact CG-CE1 4.12Å; L3584-F3857 HydrophobicContact CG-CE2 3.77Å; L3584-F3857 HydrophobicContact CG-CG 4.46Å; L3584-F3857 HydrophobicContact CG-CZ 3.77Å; L3819-F3857 HydrophobicContact CB-CD1 4.49Å; L3819-F3857 HydrophobicContact CB-CE1 3.89Å; L3819-F3857 HydrophobicContact CD2-CD1 3.87Å; L3819-F3857 HydrophobicContact CD2-CE1 3.78Å; L3820-F3857 HydrophobicContact CD1-CD1 4.42Å; L3838-F3857 HydrophobicContact CD1-CB 4.36Å; V3853-F3857 HydrophobicContact CG1-CD2 4.19Å; V3853-F3857 HydrophobicContact CG1-CE2 4.3Å; V3853-F3857 WeakPolarHBondContact O-CD2 3.31Å; V3853-F3857 PolarHBondContact O-N 3.11Å; V3853-F3857 VanDerWaalsContact O-N 3.11Å; L3854-F3857 PolarHBondContact O-N 2.92Å; Y3855-F3857 VanDerWaalsContact C-N 3.31Å; Y3855-F3857 PolarHBondContact O-N 2.98Å; F3857-A3861 VanDerWaalsContact O-CB 3.32Å; F3857-A3861 WeakPolarHBondContact O-CB 3.39Å; F3857-A3861 PolarHBondContact O-N 3.36Å |
| 3858 | L | 91.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.9 | -32 | 171.7 | -76.5 | 172.3 | 0 | 0 | 0 | 112.3 | I3835 L3838 V3842 L3854 Y3855 A3861 S3862 F3869 I3872 L3876 I3899 | I3835-L3858 HydrophobicContact CG2-CD2 4.35Å; L3838-L3858 HydrophobicContact CB-CD2 3.81Å; L3838-L3858 HydrophobicContact CB-CG 4.19Å; L3838-L3858 HydrophobicContact CD1-CD2 4.32Å; V3842-L3858 HydrophobicContact CB-CD1 4.45Å; V3842-L3858 HydrophobicContact CG2-CD1 3.77Å; L3854-L3858 WeakPolarHBondContact O-CB 3.47Å; L3854-L3858 WeakPolarHBondContact O-CG 3.17Å; L3854-L3858 PolarHBondContact O-N 3.39Å; Y3855-L3858 HydrophobicContact CD1-CD1 4.49Å; Y3855-L3858 PolarHBondContact O-N 3.37Å; L3858-A3861 PolarHBondContact O-N 3.06Å; L3858-S3862 WeakPolarHBondContact O-CB 3.38Å; L3858-S3862 PolarHBondContact O-N 2.84Å; L3858-F3869 HydrophobicContact CD2-CE2 4.36Å; L3858-F3869 WeakPolarHBondContact O-CE2 3.25Å; L3858-I3872 HydrophobicContact CD2-CD1 4.13Å; L3858-L3876 HydrophobicContact CD1-CD1 4.3Å; L3858-L3876 HydrophobicContact CD1-CD2 4.01Å; L3858-I3899 HydrophobicContact CB-CD1 3.75Å |
| 3859 | A | 90.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.6 | -49.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I3588 Y3855 E3856 A3861 S3862 M3863 A3895 I3899 | I3588-A3859 HydrophobicContact CD1-CB 4.16Å; Y3855-A3859 WeakPolarHBondContact O-CB 3.32Å; Y3855-A3859 PolarHBondContact O-N 2.84Å; E3856-A3859 PolarHBondContact O-N 3.29Å; A3859-A3861 VanDerWaalsContact C-N 3.33Å; A3859-A3861 PolarHBondContact O-N 3.11Å; A3859-S3862 PolarHBondContact O-N 2.71Å; A3859-S3862 VanDerWaalsContact O-N 3.15Å; A3859-S3862 PolarHBondContact O-OG 3.17Å; A3859-M3863 PolarHBondContact O-N 3.2Å; A3859-A3895 HydrophobicContact CB-CB 4.3Å; A3859-I3899 HydrophobicContact CB-CG1 4.05Å |
| 3860 | D | 88.5 | Confident | 88.5 | Confident | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.2 | -44.7 | 174.1 | -159.2 | 27.2 | 0 | 0 | 0 | 110.5 | L3584 K3585 F3586 L3820 E3856 S3862 M3863 V3864 | L3584-D3860 WeakPolarHBondContact CA-OD2 3.39Å; L3584-D3860 HydrophobicContact CD2-CB 3.7Å; L3584-D3860 WeakPolarHBondContact CD2-OD2 3.39Å; K3585-D3860 PolarHBondContact N-OD2 3.2Å; F3586-D3860 WeakPolarHBondContact CB-OD1 3.46Å; F3586-D3860 WeakPolarHBondContact CD2-OD1 3.36Å; F3586-D3860 PolarHBondContact N-OD1 2.75Å; L3820-D3860 HydrophobicContact CD1-CB 3.97Å; E3856-D3860 PolarHBondContact O-N 2.7Å; D3860-S3862 VanDerWaalsContact C-N 3.34Å; D3860-S3862 PolarHBondContact O-N 3.39Å; D3860-M3863 PolarHBondContact O-N 3.48Å; D3860-M3863 VanDerWaalsContact O-N 3.14Å; D3860-V3864 VanDerWaalsContact O-CG2 3.28Å; D3860-V3864 WeakPolarHBondContact O-CG2 3.49Å; D3860-V3864 PolarHBondContact O-N 3.23Å |
| 3861 | A | 88.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.6 | -35.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | L3820 I3835 F3857 L3858 A3859 M3863 V3864 F3865 F3869 | L3820-A3861 HydrophobicContact CD1-CB 3.85Å; I3835-A3861 HydrophobicContact CD1-CB 4.48Å; I3835-A3861 HydrophobicContact CG1-CB 4.2Å; F3857-A3861 VanDerWaalsContact O-CB 3.32Å; F3857-A3861 WeakPolarHBondContact O-CB 3.39Å; F3857-A3861 PolarHBondContact O-N 3.36Å; L3858-A3861 PolarHBondContact O-N 3.06Å; A3859-A3861 VanDerWaalsContact C-N 3.33Å; A3859-A3861 PolarHBondContact O-N 3.11Å; A3861-M3863 VanDerWaalsContact C-N 3.26Å; A3861-M3863 PolarHBondContact O-N 2.91Å; A3861-V3864 PolarHBondContact O-N 3.21Å; A3861-F3865 PolarHBondContact O-N 2.88Å; A3861-F3869 HydrophobicContact CB-CE2 4.47Å |
| 3862 | S | 89.1 | Confident | 87.9 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.007 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.3 | -23.8 | 176.9 | 74.2 | 0 | 0 | 0 | 0 | 113.5 | L3858 A3859 D3860 N3902 | L3858-S3862 WeakPolarHBondContact O-CB 3.38Å; L3858-S3862 PolarHBondContact O-N 2.84Å; A3859-S3862 PolarHBondContact O-N 2.71Å; A3859-S3862 VanDerWaalsContact O-N 3.15Å; A3859-S3862 PolarHBondContact O-OG 3.17Å; D3860-S3862 VanDerWaalsContact C-N 3.34Å; D3860-S3862 PolarHBondContact O-N 3.39Å; S3862-N3902 PolarHBondContact OG-ND2 3.19Å |
| 3863 | M | 85.9 | Confident | 87.7 | Confident | 88 Ų | 88 | 22.9 Ų | 22.9 | 43% | 0.433 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -85.6 | -40.6 | 171.8 | -63.8 | -174.3 | 67.7 | 0 | 0 | 112.2 | F3586 A3859 D3860 A3861 N3902 | F3586-M3863 HydrophobicContact CB-SD 4.34Å; F3586-M3863 HydrophobicContact CG-CE 4.49Å; A3859-M3863 PolarHBondContact O-N 3.2Å; D3860-M3863 PolarHBondContact O-N 3.48Å; D3860-M3863 VanDerWaalsContact O-N 3.14Å; A3861-M3863 VanDerWaalsContact C-N 3.26Å; A3861-M3863 PolarHBondContact O-N 2.91Å; M3863-N3902 WeakPolarHBondContact CG-ND2 3.37Å |
| 3864 | V | 85.2 | Confident | 87.3 | Confident | 25 Ų | 25 | 25.1 Ų | 25.1 | 15% | 0.152 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -79.7 | -35.6 | -172.6 | 177.8 | 0 | 0 | 0 | 0 | 112.6 | F3586 P3822 D3860 A3861 P3866 | F3586-V3864 HydrophobicContact CD2-CG2 4.08Å; F3586-V3864 HydrophobicContact CE2-CG2 4Å; P3822-V3864 HydrophobicContact CG-CG1 3.71Å; D3860-V3864 VanDerWaalsContact O-CG2 3.28Å; D3860-V3864 WeakPolarHBondContact O-CG2 3.49Å; D3860-V3864 PolarHBondContact O-N 3.23Å; A3861-V3864 PolarHBondContact O-N 3.21Å; V3864-P3866 WeakPolarHBondContact O-CD 3.4Å |
| 3865 | F | 86.1 | Confident | 86.9 | Confident | 8 Ų | 8 | 25.3 Ų | 25.3 | 4% | 0.035 | 13% | 0.126 | C | C | . | . | trans | -125.6 | 55.2 | -173.4 | -59.1 | -59.9 | 0 | 0 | 0 | 113.3 | L3820 L3825 Q3831 I3835 A3861 R3867 V3868 F3869 | L3820-F3865 HydrophobicContact CB-CE2 3.95Å; L3820-F3865 HydrophobicContact CD2-CE2 4.08Å; L3825-F3865 HydrophobicContact CB-CE1 4.33Å; L3825-F3865 HydrophobicContact CB-CZ 3.87Å; L3825-F3865 HydrophobicContact CD1-CE2 3.99Å; L3825-F3865 HydrophobicContact CD1-CZ 3.85Å; L3825-F3865 HydrophobicContact CG-CZ 4.47Å; Q3831-F3865 HydrophobicContact CB-CD1 4.37Å; Q3831-F3865 HydrophobicContact CB-CG 4.45Å; Q3831-F3865 HydrophobicContact CG-CD1 3.69Å; Q3831-F3865 HydrophobicContact CG-CE1 3.64Å; Q3831-F3865 HydrophobicContact CG-CG 4.21Å; Q3831-F3865 HydrophobicContact CG-CZ 4.12Å; Q3831-F3865 VanDerWaalsContact OE1-CD1 3.31Å; I3835-F3865 HydrophobicContact CD1-CB 3.87Å; I3835-F3865 HydrophobicContact CD1-CD2 4.18Å; I3835-F3865 HydrophobicContact CD1-CG 4.39Å; A3861-F3865 PolarHBondContact O-N 2.88Å; F3865-R3867 PolarHBondContact O-N 3.26Å; F3865-R3867 VanDerWaalsContact O-N 3.1Å; F3865-V3868 HydrophobicContact CB-CG2 3.76Å; F3865-V3868 PolarHBondContact O-N 3.22Å; F3865-F3869 PolarHBondContact O-N 2.97Å | ||
| 3866 | P | 82.6 | Confident | 86.7 | Confident | 48 Ų | 48 | 25.3 Ų | 25.3 | 31% | 0.312 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22.3 | -169.7 | 26.6 | -36.7 | 0 | 0 | 0 | 114.8 | V3864 P3870 N3906 | V3864-P3866 WeakPolarHBondContact O-CD 3.4Å; P3866-P3870 WeakPolarHBondContact O-CD 3.49Å; P3866-N3906 WeakPolarHBondContact CB-ND2 3.48Å |
| 3867 | R | 82.7 | Confident | 86.5 | Confident | 194 Ų | 194 | 29 Ų | 29 | 73% | 0.732 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -38.1 | 179.5 | -70 | -175.7 | 176.6 | -175.5 | -0.6 | 114.1 | E3828 F3865 P3870 | E3828-R3867 IonicContact OE1-NH1 3.39Å; F3865-R3867 PolarHBondContact O-N 3.26Å; F3865-R3867 VanDerWaalsContact O-N 3.1Å; R3867-P3870 WeakPolarHBondContact O-CD 3.48Å |
| 3868 | V | 84.8 | Confident | 86.3 | Confident | 6 Ų | 6 | 32.3 Ų | 32.3 | 4% | 0.036 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -17.3 | -175.4 | -67.2 | 0 | 0 | 0 | 0 | 112.8 | E3828 Q3831 A3832 I3835 F3865 P3870 V3871 | E3828-V3868 HydrophobicContact CB-CG1 3.85Å; E3828-V3868 HydrophobicContact CG-CG1 4.17Å; Q3831-V3868 HydrophobicContact CB-CG2 3.84Å; A3832-V3868 HydrophobicContact CB-CB 4.3Å; I3835-V3868 HydrophobicContact CD1-CG2 3.83Å; F3865-V3868 HydrophobicContact CB-CG2 3.76Å; F3865-V3868 PolarHBondContact O-N 3.22Å; V3868-P3870 VanDerWaalsContact C-N 3.31Å; V3868-V3871 VanDerWaalsContact O-CB 3.23Å; V3868-V3871 WeakPolarHBondContact O-CB 3.27Å; V3868-V3871 VanDerWaalsContact O-CG2 3.28Å; V3868-V3871 WeakPolarHBondContact O-CG2 3.38Å; V3868-V3871 PolarHBondContact O-N 3.37Å; V3868-V3871 VanDerWaalsContact O-N 3.11Å |
| 3869 | F | 87.1 | Confident | 86.1 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 2% | 0.022 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -53.9 | -36.1 | 174.8 | -158.6 | -90.9 | 0 | 0 | 0 | 114.5 | I3835 L3858 A3861 F3865 V3871 I3872 H3873 L3876 I3899 M3903 | I3835-F3869 HydrophobicContact CG2-CD2 4.18Å; I3835-F3869 HydrophobicContact CG2-CE2 4.44Å; L3858-F3869 HydrophobicContact CD2-CE2 4.36Å; L3858-F3869 WeakPolarHBondContact O-CE2 3.25Å; A3861-F3869 HydrophobicContact CB-CE2 4.47Å; F3865-F3869 PolarHBondContact O-N 2.97Å; F3869-V3871 PolarHBondContact O-N 3.1Å; F3869-I3872 HydrophobicContact CD2-CD1 4.21Å; F3869-I3872 HydrophobicContact CE1-CD1 4.18Å; F3869-I3872 HydrophobicContact CE2-CD1 3.83Å; F3869-I3872 HydrophobicContact CZ-CD1 3.81Å; F3869-I3872 WeakPolarHBondContact O-CG1 3.26Å; F3869-I3872 PolarHBondContact O-N 3.45Å; F3869-I3872 VanDerWaalsContact O-N 3.15Å; F3869-H3873 AromaticContact CD1-CD2 3.96Å; F3869-H3873 AromaticContact CD1-NE2 3.62Å; F3869-H3873 PolarHBondContact O-CD2 3.42Å; F3869-L3876 HydrophobicContact CZ-CD1 4.29Å; F3869-I3899 HydrophobicContact CE1-CG2 3.75Å; F3869-I3899 HydrophobicContact CZ-CG1 4.43Å; F3869-I3899 HydrophobicContact CZ-CG2 3.74Å; F3869-M3903 HydrophobicContact CD1-CG 4.27Å; F3869-M3903 HydrophobicContact CE1-CG 4.09Å; F3869-M3903 HydrophobicContact CE1-SD 4.19Å |
| 3870 | P | 86.4 | Confident | 86 | Confident | 17 Ų | 17 | 35.1 Ų | 35.1 | 11% | 0.11 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -56.2 | -21.7 | 175 | -29.2 | 37.7 | 0 | 0 | 0 | 116.3 | P3866 R3867 V3868 I3872 H3873 T3909 Q3913 | P3866-P3870 WeakPolarHBondContact O-CD 3.49Å; R3867-P3870 WeakPolarHBondContact O-CD 3.48Å; V3868-P3870 VanDerWaalsContact C-N 3.31Å; P3870-I3872 PolarHBondContact O-N 3.08Å; P3870-H3873 PolarHBondContact O-N 2.69Å; P3870-T3909 WeakPolarHBondContact CG-OG1 3.49Å; P3870-Q3913 WeakPolarHBondContact O-CG 2.98Å |
| 3871 | V | 83.3 | Confident | 86.1 | Confident | 14 Ų | 14 | 38.7 Ų | 38.7 | 9% | 0.085 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -61.6 | -32.8 | 178.1 | 175.2 | 0 | 0 | 0 | 0 | 112 | V3868 F3869 Q3913 Y3916 L3917 | V3868-V3871 VanDerWaalsContact O-CB 3.23Å; V3868-V3871 WeakPolarHBondContact O-CB 3.27Å; V3868-V3871 VanDerWaalsContact O-CG2 3.28Å; V3868-V3871 WeakPolarHBondContact O-CG2 3.38Å; V3868-V3871 PolarHBondContact O-N 3.37Å; V3868-V3871 VanDerWaalsContact O-N 3.11Å; F3869-V3871 PolarHBondContact O-N 3.1Å; V3871-Q3913 WeakPolarHBondContact CA-O 3.21Å; V3871-Q3913 WeakPolarHBondContact CG1-O 3.48Å; V3871-Y3916 HydrophobicContact CG1-CD1 4.31Å; V3871-Y3916 HydrophobicContact CG2-CD1 4Å; V3871-Y3916 HydrophobicContact CG2-CG 4.22Å; V3871-L3917 HydrophobicContact CG1-CD1 4.06Å; V3871-L3917 HydrophobicContact CG1-CD2 3.96Å; V3871-L3917 HydrophobicContact CG1-CG 3.54Å |
| 3872 | I | 85.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -95.9 | -2.1 | -176.3 | 59.7 | 146.6 | 0 | 0 | 0 | 114.9 | I3835 A3836 T3839 L3858 F3869 P3870 S3874 L3875 L3876 | I3835-I3872 HydrophobicContact CG2-CB 4.42Å; I3835-I3872 HydrophobicContact CG2-CD1 3.47Å; I3835-I3872 VanDerWaalsContact CG2-CD1 3.47Å; I3835-I3872 HydrophobicContact CG2-CG1 3.76Å; I3835-I3872 HydrophobicContact CG2-CG2 3.88Å; A3836-I3872 HydrophobicContact CB-CG2 4.33Å; T3839-I3872 HydrophobicContact CG2-CB 4.24Å; T3839-I3872 WeakPolarHBondContact OG1-CD1 3.26Å; L3858-I3872 HydrophobicContact CD2-CD1 4.13Å; F3869-I3872 HydrophobicContact CD2-CD1 4.21Å; F3869-I3872 HydrophobicContact CE1-CD1 4.18Å; F3869-I3872 HydrophobicContact CE2-CD1 3.83Å; F3869-I3872 HydrophobicContact CZ-CD1 3.81Å; F3869-I3872 WeakPolarHBondContact O-CG1 3.26Å; F3869-I3872 PolarHBondContact O-N 3.45Å; F3869-I3872 VanDerWaalsContact O-N 3.15Å; P3870-I3872 PolarHBondContact O-N 3.08Å; I3872-S3874 PolarHBondContact O-N 3.4Å; I3872-L3875 WeakPolarHBondContact O-CA 3.48Å; I3872-L3875 WeakPolarHBondContact O-CB 3.45Å; I3872-L3875 PolarHBondContact O-N 3.16Å; I3872-L3876 HydrophobicContact CD1-CD1 3.54Å; I3872-L3876 HydrophobicContact CD1-CG 4.1Å; I3872-L3876 PolarHBondContact O-N 3.34Å; I3872-L3876 VanDerWaalsContact O-N 3.1Å |
| 3873 | H | 85.8 | Confident | 86 | Confident | 40 Ų | 40 | 45.5 Ų | 45.5 | 19% | 0.185 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -53.5 | -50.5 | -174.5 | -73 | -178.8 | 0 | 0 | 0 | 112.4 | F3869 P3870 L3875 L3876 D3877 M3903 | F3869-H3873 AromaticContact CD1-CD2 3.96Å; F3869-H3873 AromaticContact CD1-NE2 3.62Å; F3869-H3873 PolarHBondContact O-CD2 3.42Å; P3870-H3873 PolarHBondContact O-N 2.69Å; H3873-L3875 PolarHBondContact O-N 2.98Å; H3873-L3875 VanDerWaalsContact O-N 3.17Å; H3873-L3876 PolarHBondContact O-N 2.92Å; H3873-L3876 VanDerWaalsContact O-N 3.15Å; H3873-D3877 WeakPolarHBondContact O-CB 3.43Å; H3873-D3877 PolarHBondContact O-N 3.13Å; H3873-M3903 WeakPolarHBondContact NE2-CG 3.41Å |
| 3874 | S | 84.2 | Confident | 86.1 | Confident | 54 Ų | 54 | 45.5 Ų | 45.5 | 38% | 0.378 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.2 | -14.6 | 177.2 | 61.2 | 0 | 0 | 0 | 0 | 115.1 | I3872 | I3872-S3874 PolarHBondContact O-N 3.4Å |
| 3875 | L | 83.9 | Confident | 86.3 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -89.6 | -30 | 174.5 | -63.9 | 179.3 | 0 | 0 | 0 | 112.7 | T3839 R3843 I3872 H3873 L3914 L3917 W3926 | T3839-L3875 HydrophobicContact CG2-CB 3.53Å; T3839-L3875 HydrophobicContact CG2-CD1 4.39Å; R3843-L3875 PolarHBondContact NH1-O 3.24Å; I3872-L3875 WeakPolarHBondContact O-CA 3.48Å; I3872-L3875 WeakPolarHBondContact O-CB 3.45Å; I3872-L3875 PolarHBondContact O-N 3.16Å; H3873-L3875 PolarHBondContact O-N 2.98Å; H3873-L3875 VanDerWaalsContact O-N 3.17Å; L3875-L3914 HydrophobicContact CD1-CD1 4.18Å; L3875-L3914 HydrophobicContact CD2-CD1 3.89Å; L3875-L3914 HydrophobicContact CG-CD1 3.86Å; L3875-L3917 HydrophobicContact CD1-CD1 4.2Å; L3875-W3926 HydrophobicContact CD1-CB 4.14Å; L3875-W3926 HydrophobicContact CD1-CG 4.09Å; L3875-W3926 HydrophobicContact CD2-CB 4.1Å; L3875-W3926 HydrophobicContact CD2-CD2 3.5Å; L3875-W3926 VanDerWaalsContact CD2-CD2 3.5Å; L3875-W3926 HydrophobicContact CD2-CE3 3.93Å; L3875-W3926 HydrophobicContact CD2-CG 3.58Å; L3875-W3926 HydrophobicContact CD2-CZ2 4.46Å |
| 3876 | L | 87.5 | Confident | 86.4 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -88 | -34.4 | 177 | -78.7 | -177.4 | 0 | 0 | 0 | 114.1 | T3839 V3842 L3858 F3869 I3872 H3873 S3878 K3879 I3880 | T3839-L3876 HydrophobicContact CG2-CD2 3.82Å; T3839-L3876 HydrophobicContact CG2-CG 3.8Å; V3842-L3876 HydrophobicContact CG1-CD2 4.13Å; L3858-L3876 HydrophobicContact CD1-CD1 4.3Å; L3858-L3876 HydrophobicContact CD1-CD2 4.01Å; F3869-L3876 HydrophobicContact CZ-CD1 4.29Å; I3872-L3876 HydrophobicContact CD1-CD1 3.54Å; I3872-L3876 HydrophobicContact CD1-CG 4.1Å; I3872-L3876 PolarHBondContact O-N 3.34Å; I3872-L3876 VanDerWaalsContact O-N 3.1Å; H3873-L3876 PolarHBondContact O-N 2.92Å; H3873-L3876 VanDerWaalsContact O-N 3.15Å; L3876-S3878 PolarHBondContact O-N 3.48Å; L3876-K3879 CarbonylContact O-C 3.37Å; L3876-K3879 WeakPolarHBondContact O-CA 3.43Å; L3876-K3879 WeakPolarHBondContact O-CB 3.44Å; L3876-K3879 PolarHBondContact O-N 3.1Å; L3876-I3880 HydrophobicContact CB-CD1 3.84Å; L3876-I3880 HydrophobicContact CB-CG1 4.19Å; L3876-I3880 HydrophobicContact CD1-CD1 4.15Å; L3876-I3880 PolarHBondContact O-N 3.25Å |
| 3877 | D | 86.8 | Confident | 86.6 | Confident | 92 Ų | 92 | 52.8 Ų | 52.8 | 49% | 0.492 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -42.8 | -56.9 | -168.4 | 170.9 | 66.5 | 0 | 0 | 0 | 114.1 | H3873 K3879 I3880 N3881 | H3873-D3877 WeakPolarHBondContact O-CB 3.43Å; H3873-D3877 PolarHBondContact O-N 3.13Å; D3877-K3879 VanDerWaalsContact C-N 3.29Å; D3877-K3879 PolarHBondContact O-N 3.49Å; D3877-I3880 PolarHBondContact O-N 3.32Å; D3877-N3881 PolarHBondContact O-N 3.4Å; D3877-N3881 PolarHBondContact O-ND2 3.46Å; D3877-N3881 PolarHBondContact OD1-ND2 3.49Å |
| 3878 | S | 86.5 | Confident | 86.8 | Confident | 74 Ų | 74 | 52 Ų | 52 | 52% | 0.517 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.7 | -31.5 | -179.5 | 60.2 | 0 | 0 | 0 | 0 | 114 | L3876 Y3882 | L3876-S3878 PolarHBondContact O-N 3.48Å; S3878-Y3882 WeakPolarHBondContact O-CB 3.49Å; S3878-Y3882 PolarHBondContact O-N 3.4Å; S3878-Y3882 VanDerWaalsContact O-N 3.15Å |
| 3879 | K | 87.2 | Confident | 87 | Confident | 46 Ų | 46 | 53 Ų | 53 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -79.4 | -36.4 | 176.5 | -164.8 | 88.1 | 169.8 | -158.2 | 0 | 111.3 | V3842 R3843 T3845 Y3855 L3876 D3877 Y3882 V3883 | V3842-K3879 HydrophobicContact CG1-CG 4.2Å; V3842-K3879 WeakPolarHBondContact O-CE 3.33Å; V3842-K3879 PolarHBondContact O-NZ 3.2Å; V3842-K3879 VanDerWaalsContact O-NZ 3.1Å; R3843-K3879 PolarHBondContact O-NZ 3.45Å; T3845-K3879 PolarHBondContact O-NZ 3.06Å; Y3855-K3879 VanDerWaalsContact OH-CG 3.27Å; Y3855-K3879 WeakPolarHBondContact OH-CG 3.3Å; L3876-K3879 CarbonylContact O-C 3.37Å; L3876-K3879 WeakPolarHBondContact O-CA 3.43Å; L3876-K3879 WeakPolarHBondContact O-CB 3.44Å; L3876-K3879 PolarHBondContact O-N 3.1Å; D3877-K3879 VanDerWaalsContact C-N 3.29Å; D3877-K3879 PolarHBondContact O-N 3.49Å; K3879-Y3882 PolarHBondContact O-N 3.17Å; K3879-V3883 WeakPolarHBondContact O-CB 3.5Å; K3879-V3883 WeakPolarHBondContact O-CG2 3.39Å; K3879-V3883 PolarHBondContact O-N 2.9Å |
| 3880 | I | 89.2 | Confident | 87.1 | Confident | 14 Ų | 14 | 60.6 Ų | 60.6 | 7% | 0.072 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63 | -50.1 | 172.4 | -74 | 178.4 | 0 | 0 | 0 | 110.1 | L3876 D3877 Y3882 V3883 L3884 V3896 I3899 I3900 | L3876-I3880 HydrophobicContact CB-CD1 3.84Å; L3876-I3880 HydrophobicContact CB-CG1 4.19Å; L3876-I3880 HydrophobicContact CD1-CD1 4.15Å; L3876-I3880 PolarHBondContact O-N 3.25Å; D3877-I3880 PolarHBondContact O-N 3.32Å; I3880-Y3882 VanDerWaalsContact C-N 3.29Å; I3880-Y3882 PolarHBondContact O-N 2.72Å; I3880-V3883 PolarHBondContact O-N 3.28Å; I3880-V3883 VanDerWaalsContact O-N 3.12Å; I3880-L3884 HydrophobicContact CG2-CD1 3.82Å; I3880-L3884 HydrophobicContact CG2-CG 4.21Å; I3880-L3884 WeakPolarHBondContact O-CG 3.2Å; I3880-L3884 PolarHBondContact O-N 3.27Å; I3880-V3896 HydrophobicContact CG1-CG1 4.37Å; I3880-V3896 HydrophobicContact CG2-CG1 3.95Å; I3880-I3899 HydrophobicContact CD1-CG2 4.35Å; I3880-I3900 HydrophobicContact CG2-CD1 4.02Å; I3880-I3900 HydrophobicContact CG2-CG1 4.44Å |
| 3881 | N | 89.6 | Confident | 87.2 | Confident | 79 Ų | 79 | 63 Ų | 63 | 42% | 0.422 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.6 | -40.5 | 176.9 | -75 | -56.9 | 0 | 0 | 0 | 112 | D3877 T3885 | D3877-N3881 PolarHBondContact O-N 3.4Å; D3877-N3881 PolarHBondContact O-ND2 3.46Å; D3877-N3881 PolarHBondContact OD1-ND2 3.49Å; N3881-T3885 WeakPolarHBondContact O-CB 3.42Å; N3881-T3885 WeakPolarHBondContact O-CG2 3.32Å; N3881-T3885 PolarHBondContact O-N 2.65Å; N3881-T3885 PolarHBondContact O-OG1 3.02Å |
| 3882 | Y | 87.9 | Confident | 87.6 | Confident | 135 Ų | 135 | 62.6 Ų | 62.6 | 53% | 0.529 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62 | -46.9 | 172.9 | 178.2 | -101.5 | 0 | 0 | 0 | 112.6 | S3878 K3879 I3880 T3885 H3886 | S3878-Y3882 WeakPolarHBondContact O-CB 3.49Å; S3878-Y3882 PolarHBondContact O-N 3.4Å; S3878-Y3882 VanDerWaalsContact O-N 3.15Å; K3879-Y3882 PolarHBondContact O-N 3.17Å; I3880-Y3882 VanDerWaalsContact C-N 3.29Å; I3880-Y3882 PolarHBondContact O-N 2.72Å; Y3882-T3885 PolarHBondContact O-N 2.99Å; Y3882-T3885 PolarHBondContact O-OG1 2.99Å; Y3882-T3885 VanDerWaalsContact O-OG1 3.1Å; Y3882-H3886 HydrophobicContact CD2-CB 4.4Å; Y3882-H3886 AromaticContact CD2-ND1 3.66Å; Y3882-H3886 HydrophobicContact CE2-CB 4Å; Y3882-H3886 AromaticContact CE2-CG 3.75Å; Y3882-H3886 AromaticContact CE2-ND1 3.8Å; Y3882-H3886 WeakPolarHBondContact O-CB 3.46Å; Y3882-H3886 PolarHBondContact O-N 3.35Å; Y3882-H3886 PolarHBondContact O-ND1 3.04Å |
| 3883 | V | 87.9 | Confident | 87.8 | Confident | 10 Ų | 10 | 65 Ų | 65 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 178.8 | 165.3 | 0 | 0 | 0 | 0 | 111.8 | Y3855 K3879 I3880 T3885 C3887 I3892 L3893 V3896 | Y3855-V3883 HydrophobicContact CE2-CG2 4.24Å; K3879-V3883 WeakPolarHBondContact O-CB 3.5Å; K3879-V3883 WeakPolarHBondContact O-CG2 3.39Å; K3879-V3883 PolarHBondContact O-N 2.9Å; I3880-V3883 PolarHBondContact O-N 3.28Å; I3880-V3883 VanDerWaalsContact O-N 3.12Å; V3883-T3885 PolarHBondContact O-N 2.96Å; V3883-C3887 HydrophobicContact CB-CB 4.31Å; V3883-C3887 HydrophobicContact CG1-CB 3.78Å; V3883-C3887 WeakPolarHBondContact O-CB 3.22Å; V3883-C3887 PolarHBondContact O-N 3.26Å; V3883-I3892 HydrophobicContact CG1-CG2 3.78Å; V3883-L3893 HydrophobicContact CG1-CD2 4.25Å; V3883-V3896 HydrophobicContact CG1-CG2 4.06Å |
| 3884 | L | 88.5 | Confident | 88.1 | Confident | 88 Ų | 88 | 65.1 Ų | 65.1 | 46% | 0.461 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.8 | -27 | 177 | -70.4 | 173.8 | 0 | 0 | 0 | 113.5 | I3880 V3896 I3900 | I3880-L3884 HydrophobicContact CG2-CD1 3.82Å; I3880-L3884 HydrophobicContact CG2-CG 4.21Å; I3880-L3884 WeakPolarHBondContact O-CG 3.2Å; I3880-L3884 PolarHBondContact O-N 3.27Å; L3884-V3896 HydrophobicContact CD2-CG1 4.12Å; L3884-V3896 HydrophobicContact CG-CG1 4.37Å; L3884-I3900 HydrophobicContact CD1-CD1 3.85Å; L3884-I3900 HydrophobicContact CD2-CD1 4.05Å; L3884-I3900 HydrophobicContact CG-CD1 4.38Å |
| 3885 | T | 89.8 | Confident | 88.4 | Confident | 98 Ų | 98 | 62.7 Ų | 62.7 | 60% | 0.601 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -98.8 | -25.8 | -176.4 | 48 | 0 | 0 | 0 | 0 | 114.2 | N3881 Y3882 V3883 | N3881-T3885 WeakPolarHBondContact O-CB 3.42Å; N3881-T3885 WeakPolarHBondContact O-CG2 3.32Å; N3881-T3885 PolarHBondContact O-N 2.65Å; N3881-T3885 PolarHBondContact O-OG1 3.02Å; Y3882-T3885 PolarHBondContact O-N 2.99Å; Y3882-T3885 PolarHBondContact O-OG1 2.99Å; Y3882-T3885 VanDerWaalsContact O-OG1 3.1Å; V3883-T3885 PolarHBondContact O-N 2.96Å |
| 3886 | H | 87.5 | Confident | 88.8 | Confident | 114 Ų | 114 | 62.5 Ų | 62.5 | 53% | 0.528 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -126.9 | -14.9 | -171.8 | -61.7 | 79.8 | 0 | 0 | 0 | 115.1 | Y3882 | Y3882-H3886 HydrophobicContact CD2-CB 4.4Å; Y3882-H3886 AromaticContact CD2-ND1 3.66Å; Y3882-H3886 HydrophobicContact CE2-CB 4Å; Y3882-H3886 AromaticContact CE2-CG 3.75Å; Y3882-H3886 AromaticContact CE2-ND1 3.8Å; Y3882-H3886 WeakPolarHBondContact O-CB 3.46Å; Y3882-H3886 PolarHBondContact O-N 3.35Å; Y3882-H3886 PolarHBondContact O-ND1 3.04Å |
| 3887 | C | 86.2 | Confident | 88.9 | Confident | 22 Ų | 22 | 68.4 Ų | 68.4 | 15% | 0.149 | 35% | 0.346 | C | S | . | . | trans | -83.1 | 143.5 | -178.3 | -165.1 | 0 | 0 | 0 | 0 | 111.5 | V3883 D3889 L3893 | V3883-C3887 HydrophobicContact CB-CB 4.31Å; V3883-C3887 HydrophobicContact CG1-CB 3.78Å; V3883-C3887 WeakPolarHBondContact O-CB 3.22Å; V3883-C3887 PolarHBondContact O-N 3.26Å; C3887-D3889 PolarHBondContact SG-N 2.88Å; C3887-D3889 VanDerWaalsContact SG-N 3.43Å; C3887-L3893 HydrophobicContact CB-CD2 4.33Å | ||
| 3888 | H | 87.7 | Confident | 89 | Confident | 176 Ų | 176 | 65 Ų | 65 | 82% | 0.815 | 33% | 0.33 | S | S | * | . | trans | -117 | 1 | 173.5 | -58.6 | -24 | 0 | 0 | 0 | 112.5 | Q3890 | H3888-Q3890 PolarHBondContact O-N 3.46Š| ||
| 3889 | D | 88.8 | Confident | 89.2 | Confident | 27 Ų | 27 | 61.5 Ų | 61.5 | 14% | 0.144 | 31% | 0.305 | C | S | . | . | trans | -79 | 105.1 | 179.8 | -167.9 | -57.4 | 0 | 0 | 0 | 110.8 | R3852 C3887 K3891 I3892 L3893 | R3852-D3889 IonicContact CZ-OD1 3.33Å; R3852-D3889 IonicContact CZ-OD2 2.78Å; R3852-D3889 IonicContact NH1-OD1 3.21Å; R3852-D3889 IonicContact NH1-OD2 2.67Å; R3852-D3889 PolarHBondContact NH1-OD2 3.1Å; R3852-D3889 IonicContact NH2-OD1 2.77Å; R3852-D3889 PolarHBondContact NH2-OD1 2.76Å; R3852-D3889 IonicContact NH2-OD2 2.7Å; R3852-D3889 PolarHBondContact NH2-OD2 3.42Å; C3887-D3889 PolarHBondContact SG-N 2.88Å; C3887-D3889 VanDerWaalsContact SG-N 3.43Å; D3889-K3891 PolarHBondContact O-N 3.32Å; D3889-K3891 VanDerWaalsContact O-N 3.09Å; D3889-K3891 WeakPolarHBondContact OD1-CB 3.32Å; D3889-K3891 PolarHBondContact OD1-N 3.4Å; D3889-I3892 HydrophobicContact CB-CB 4.09Å; D3889-I3892 HydrophobicContact CB-CD1 3.92Å; D3889-I3892 HydrophobicContact CB-CG1 3.97Å; D3889-I3892 PolarHBondContact O-N 2.9Å; D3889-I3892 VanDerWaalsContact O-N 3.1Å; D3889-I3892 PolarHBondContact OD1-N 3.34Å; D3889-L3893 WeakPolarHBondContact O-CG 3.23Å; D3889-L3893 PolarHBondContact O-N 3.04Å | ||
| 3890 | Q | 89.8 | Confident | 89.2 | Confident | 166 Ų | 166 | 61.6 Ų | 61.6 | 78% | 0.776 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -58.7 | -24.7 | -176.4 | -167.7 | 173.8 | 10.2 | 0 | 0 | 114 | H3888 S3894 | H3888-Q3890 PolarHBondContact O-N 3.46Å; Q3890-S3894 WeakPolarHBondContact O-CB 3.37Å; Q3890-S3894 PolarHBondContact O-N 3.26Å |
| 3891 | K | 88.6 | Confident | 89.2 | Confident | 67 Ų | 67 | 66.5 Ų | 66.5 | 29% | 0.291 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -79 | -40.7 | 177.5 | -56.1 | -174.3 | -170.2 | 149.2 | 0 | 111.1 | T3591 D3889 S3894 A3895 | T3591-K3891 HydrophobicContact CG2-CB 3.98Å; T3591-K3891 HydrophobicContact CG2-CD 4.17Å; T3591-K3891 HydrophobicContact CG2-CG 3.96Å; D3889-K3891 PolarHBondContact O-N 3.32Å; D3889-K3891 VanDerWaalsContact O-N 3.09Å; D3889-K3891 WeakPolarHBondContact OD1-CB 3.32Å; D3889-K3891 PolarHBondContact OD1-N 3.4Å; K3891-S3894 PolarHBondContact O-N 3.39Å; K3891-A3895 PolarHBondContact O-N 3.05Å |
| 3892 | I | 90.5 | Very high | 89 | Confident | 5 Ų | 5 | 64.1 Ų | 64.1 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.4 | -47.4 | 173 | -61.6 | -179.3 | 0 | 0 | 0 | 109.8 | R3852 Y3855 V3883 D3889 S3894 A3895 V3896 | R3852-I3892 HydrophobicContact CB-CD1 4.32Å; R3852-I3892 HydrophobicContact CB-CG1 4.03Å; Y3855-I3892 HydrophobicContact CD2-CG2 3.72Å; Y3855-I3892 HydrophobicContact CE2-CG2 4Å; Y3855-I3892 HydrophobicContact CG-CG2 4.42Å; V3883-I3892 HydrophobicContact CG1-CG2 3.78Å; D3889-I3892 HydrophobicContact CB-CB 4.09Å; D3889-I3892 HydrophobicContact CB-CD1 3.92Å; D3889-I3892 HydrophobicContact CB-CG1 3.97Å; D3889-I3892 PolarHBondContact O-N 2.9Å; D3889-I3892 VanDerWaalsContact O-N 3.1Å; D3889-I3892 PolarHBondContact OD1-N 3.34Å; I3892-S3894 PolarHBondContact O-N 2.98Å; I3892-A3895 PolarHBondContact O-N 2.9Å; I3892-V3896 WeakPolarHBondContact O-CG2 3.41Å; I3892-V3896 PolarHBondContact O-N 3.43Å |
| 3893 | L | 90.9 | Very high | 88.7 | Confident | 51 Ų | 51 | 60.4 Ų | 60.4 | 27% | 0.267 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 176.8 | -70.4 | 170.3 | 0 | 0 | 0 | 112.2 | V3883 C3887 D3889 V3896 Q3897 | V3883-L3893 HydrophobicContact CG1-CD2 4.25Å; C3887-L3893 HydrophobicContact CB-CD2 4.33Å; D3889-L3893 WeakPolarHBondContact O-CG 3.23Å; D3889-L3893 PolarHBondContact O-N 3.04Å; L3893-V3896 PolarHBondContact O-N 3.32Å; L3893-Q3897 VanDerWaalsContact O-CB 3.26Å; L3893-Q3897 WeakPolarHBondContact O-CB 3.27Å; L3893-Q3897 PolarHBondContact O-N 3.27Å |
| 3894 | S | 91.3 | Very high | 88.5 | Confident | 44 Ų | 44 | 66.1 Ų | 66.1 | 31% | 0.308 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 176.7 | 178.4 | 0 | 0 | 0 | 0 | 112.6 | Q3890 K3891 I3892 Q3897 S3898 | Q3890-S3894 WeakPolarHBondContact O-CB 3.37Å; Q3890-S3894 PolarHBondContact O-N 3.26Å; K3891-S3894 PolarHBondContact O-N 3.39Å; I3892-S3894 PolarHBondContact O-N 2.98Å; S3894-Q3897 PolarHBondContact O-N 3.47Å; S3894-S3898 PolarHBondContact O-N 3.07Å |
| 3895 | A | 90.7 | Very high | 88.1 | Confident | 2 Ų | 2 | 66 Ų | 66 | 2% | 0.017 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.7 | -43.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | A3859 K3891 I3892 S3898 I3899 | A3859-A3895 HydrophobicContact CB-CB 4.3Å; K3891-A3895 PolarHBondContact O-N 3.05Å; I3892-A3895 PolarHBondContact O-N 2.9Å; A3895-S3898 WeakPolarHBondContact O-CB 3.49Å; A3895-S3898 PolarHBondContact O-N 3.21Å; A3895-I3899 WeakPolarHBondContact O-CG1 3.5Å; A3895-I3899 PolarHBondContact O-N 3.05Å |
| 3896 | V | 91.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.7 | -39 | 175.8 | 169.5 | 0 | 0 | 0 | 0 | 112 | Y3855 I3880 V3883 L3884 I3892 L3893 S3898 I3899 I3900 | Y3855-V3896 HydrophobicContact CD1-CG2 3.58Å; Y3855-V3896 HydrophobicContact CE1-CG2 3.56Å; Y3855-V3896 HydrophobicContact CG-CG2 4.11Å; I3880-V3896 HydrophobicContact CG1-CG1 4.37Å; I3880-V3896 HydrophobicContact CG2-CG1 3.95Å; V3883-V3896 HydrophobicContact CG1-CG2 4.06Å; L3884-V3896 HydrophobicContact CD2-CG1 4.12Å; L3884-V3896 HydrophobicContact CG-CG1 4.37Å; I3892-V3896 WeakPolarHBondContact O-CG2 3.41Å; I3892-V3896 PolarHBondContact O-N 3.43Å; L3893-V3896 PolarHBondContact O-N 3.32Å; V3896-S3898 VanDerWaalsContact C-N 3.33Å; V3896-S3898 PolarHBondContact O-N 3.46Å; V3896-I3899 PolarHBondContact O-N 3.39Å; V3896-I3900 HydrophobicContact CG1-CD1 3.79Å; V3896-I3900 HydrophobicContact CG1-CG1 4.49Å; V3896-I3900 VanDerWaalsContact O-CG1 3.31Å; V3896-I3900 WeakPolarHBondContact O-CG1 3.41Å; V3896-I3900 PolarHBondContact O-N 3.19Å |
| 3897 | Q | 89.9 | Confident | 85.8 | Confident | 126 Ų | 126 | 61.6 Ų | 61.6 | 59% | 0.589 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.3 | -41.8 | 173 | -176.8 | 179.4 | -0.8 | 0 | 0 | 111.4 | L3893 S3894 I3900 Q3901 | L3893-Q3897 VanDerWaalsContact O-CB 3.26Å; L3893-Q3897 WeakPolarHBondContact O-CB 3.27Å; L3893-Q3897 PolarHBondContact O-N 3.27Å; S3894-Q3897 PolarHBondContact O-N 3.47Å; Q3897-I3900 PolarHBondContact O-N 3.24Å; Q3897-Q3901 WeakPolarHBondContact O-CB 3.5Å; Q3897-Q3901 PolarHBondContact O-N 3.09Å |
| 3898 | S | 89.7 | Confident | 84.2 | Confident | 22 Ų | 22 | 70 Ų | 70 | 15% | 0.154 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 174.4 | -172.1 | 0 | 0 | 0 | 0 | 111.7 | S3894 A3895 V3896 I3900 Q3901 N3902 | S3894-S3898 PolarHBondContact O-N 3.07Å; A3895-S3898 WeakPolarHBondContact O-CB 3.49Å; A3895-S3898 PolarHBondContact O-N 3.21Å; V3896-S3898 VanDerWaalsContact C-N 3.33Å; V3896-S3898 PolarHBondContact O-N 3.46Å; S3898-I3900 PolarHBondContact O-N 2.72Å; S3898-Q3901 PolarHBondContact O-N 3.04Å; S3898-N3902 WeakPolarHBondContact O-CB 3.38Å; S3898-N3902 PolarHBondContact O-N 3.42Å; S3898-N3902 PolarHBondContact O-ND2 3.04Å; S3898-N3902 VanDerWaalsContact O-ND2 3.09Å |
| 3899 | I | 90 | Very high | 82.7 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.6 | -49.6 | 175.5 | -69.4 | 165.5 | 0 | 0 | 0 | 110.4 | Y3855 L3858 A3859 F3869 I3880 A3895 V3896 Q3901 N3902 M3903 | Y3855-I3899 HydrophobicContact CD1-CD1 4.12Å; L3858-I3899 HydrophobicContact CB-CD1 3.75Å; A3859-I3899 HydrophobicContact CB-CG1 4.05Å; F3869-I3899 HydrophobicContact CE1-CG2 3.75Å; F3869-I3899 HydrophobicContact CZ-CG1 4.43Å; F3869-I3899 HydrophobicContact CZ-CG2 3.74Å; I3880-I3899 HydrophobicContact CD1-CG2 4.35Å; A3895-I3899 WeakPolarHBondContact O-CG1 3.5Å; A3895-I3899 PolarHBondContact O-N 3.05Å; V3896-I3899 PolarHBondContact O-N 3.39Å; I3899-Q3901 PolarHBondContact O-N 2.89Å; I3899-N3902 PolarHBondContact O-N 3.36Å; I3899-M3903 HydrophobicContact CG2-CG 4.32Å; I3899-M3903 HydrophobicContact CG2-SD 3.69Å; I3899-M3903 WeakPolarHBondContact O-CB 3.41Å; I3899-M3903 VanDerWaalsContact O-CG 3.23Å; I3899-M3903 WeakPolarHBondContact O-CG 3.24Å; I3899-M3903 PolarHBondContact O-N 3.34Å |
| 3900 | I | 87.6 | Confident | 80.8 | Confident | 47 Ų | 47 | 69.2 Ų | 69.2 | 24% | 0.241 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.2 | -42.8 | -179.8 | -66.7 | 162.4 | 0 | 0 | 0 | 111.5 | I3880 L3884 V3896 Q3897 S3898 N3902 M3903 I3904 | I3880-I3900 HydrophobicContact CG2-CD1 4.02Å; I3880-I3900 HydrophobicContact CG2-CG1 4.44Å; L3884-I3900 HydrophobicContact CD1-CD1 3.85Å; L3884-I3900 HydrophobicContact CD2-CD1 4.05Å; L3884-I3900 HydrophobicContact CG-CD1 4.38Å; V3896-I3900 HydrophobicContact CG1-CD1 3.79Å; V3896-I3900 HydrophobicContact CG1-CG1 4.49Å; V3896-I3900 VanDerWaalsContact O-CG1 3.31Å; V3896-I3900 WeakPolarHBondContact O-CG1 3.41Å; V3896-I3900 PolarHBondContact O-N 3.19Å; Q3897-I3900 PolarHBondContact O-N 3.24Å; S3898-I3900 PolarHBondContact O-N 2.72Å; I3900-N3902 VanDerWaalsContact C-N 3.33Å; I3900-N3902 PolarHBondContact O-N 3.26Å; I3900-M3903 PolarHBondContact O-N 2.82Å; I3900-I3904 HydrophobicContact CG2-CD1 3.84Å; I3900-I3904 WeakPolarHBondContact O-CG1 3.46Å; I3900-I3904 PolarHBondContact O-N 2.95Å |
| 3901 | Q | 88.3 | Confident | 78.8 | Confident | 118 Ų | 118 | 67.3 Ų | 67.3 | 55% | 0.551 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.8 | -40.2 | 178.1 | -174.7 | 171.1 | -2.4 | 0 | 0 | 111.7 | Q3897 S3898 I3899 S3905 | Q3897-Q3901 WeakPolarHBondContact O-CB 3.5Å; Q3897-Q3901 PolarHBondContact O-N 3.09Å; S3898-Q3901 PolarHBondContact O-N 3.04Å; I3899-Q3901 PolarHBondContact O-N 2.89Å; Q3901-S3905 WeakPolarHBondContact O-CB 3.35Å; Q3901-S3905 PolarHBondContact O-N 3.37Å; Q3901-S3905 PolarHBondContact O-OG 2.86Å |
| 3902 | N | 85.1 | Confident | 77 | Confident | 28 Ų | 28 | 70.8 Ų | 70.8 | 15% | 0.15 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -69.1 | -42.2 | 175.6 | -64.9 | -27.4 | 0 | 0 | 0 | 111.6 | S3862 M3863 S3898 I3899 I3900 I3904 S3905 N3906 | S3862-N3902 PolarHBondContact OG-ND2 3.19Å; M3863-N3902 WeakPolarHBondContact CG-ND2 3.37Å; S3898-N3902 WeakPolarHBondContact O-CB 3.38Å; S3898-N3902 PolarHBondContact O-N 3.42Å; S3898-N3902 PolarHBondContact O-ND2 3.04Å; S3898-N3902 VanDerWaalsContact O-ND2 3.09Å; I3899-N3902 PolarHBondContact O-N 3.36Å; I3900-N3902 VanDerWaalsContact C-N 3.33Å; I3900-N3902 PolarHBondContact O-N 3.26Å; N3902-I3904 VanDerWaalsContact C-N 3.33Å; N3902-I3904 PolarHBondContact O-N 2.85Å; N3902-S3905 PolarHBondContact O-N 3.44Å; N3902-N3906 VanDerWaalsContact O-CG 3.25Å; N3902-N3906 PolarHBondContact O-N 2.95Å; N3902-N3906 VanDerWaalsContact O-N 3.13Å; N3902-N3906 PolarHBondContact O-ND2 3.28Å; N3902-N3906 VanDerWaalsContact O-ND2 3.1Å |
| 3903 | M | 83.4 | Confident | 75.7 | Confident | 57 Ų | 57 | 74.4 Ų | 74.4 | 28% | 0.281 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -57 | -43.4 | 174.5 | -74.4 | 172 | 55.5 | 0 | 0 | 112.4 | F3869 H3873 I3899 I3900 | F3869-M3903 HydrophobicContact CD1-CG 4.27Å; F3869-M3903 HydrophobicContact CE1-CG 4.09Å; F3869-M3903 HydrophobicContact CE1-SD 4.19Å; H3873-M3903 WeakPolarHBondContact NE2-CG 3.41Å; I3899-M3903 HydrophobicContact CG2-CG 4.32Å; I3899-M3903 HydrophobicContact CG2-SD 3.69Å; I3899-M3903 WeakPolarHBondContact O-CB 3.41Å; I3899-M3903 VanDerWaalsContact O-CG 3.23Å; I3899-M3903 WeakPolarHBondContact O-CG 3.24Å; I3899-M3903 PolarHBondContact O-N 3.34Å; I3900-M3903 PolarHBondContact O-N 2.82Å |
| 3904 | I | 83.2 | Confident | 74.5 | Confident | 130 Ų | 130 | 74.5 Ų | 74.5 | 67% | 0.667 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -69.1 | -41.3 | 176.8 | -65.9 | 165.6 | 0 | 0 | 0 | 111 | I3900 N3902 N3906 G3907 | I3900-I3904 HydrophobicContact CG2-CD1 3.84Å; I3900-I3904 WeakPolarHBondContact O-CG1 3.46Å; I3900-I3904 PolarHBondContact O-N 2.95Å; N3902-I3904 VanDerWaalsContact C-N 3.33Å; N3902-I3904 PolarHBondContact O-N 2.85Å; I3904-N3906 VanDerWaalsContact C-N 3.3Å; I3904-N3906 PolarHBondContact O-N 2.8Å; I3904-G3907 PolarHBondContact O-N 2.73Å |
| 3905 | S | 80.1 | Confident | 73.8 | Confident | 85 Ų | 85 | 77.6 Ų | 77.6 | 59% | 0.594 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -67.4 | -26.8 | -175.5 | -59.3 | 0 | 0 | 0 | 0 | 114 | Q3901 N3902 | Q3901-S3905 WeakPolarHBondContact O-CB 3.35Å; Q3901-S3905 PolarHBondContact O-N 3.37Å; Q3901-S3905 PolarHBondContact O-OG 2.86Å; N3902-S3905 PolarHBondContact O-N 3.44Å |
| 3906 | N | 71.7 | Confident | 73.5 | Confident | 76 Ų | 76 | 80.8 Ų | 80.8 | 41% | 0.406 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -10.6 | -176.4 | -68.1 | -29.2 | 0 | 0 | 0 | 114.3 | P3866 N3902 I3904 | P3866-N3906 WeakPolarHBondContact CB-ND2 3.48Å; N3902-N3906 VanDerWaalsContact O-CG 3.25Å; N3902-N3906 PolarHBondContact O-N 2.95Å; N3902-N3906 VanDerWaalsContact O-N 3.13Å; N3902-N3906 PolarHBondContact O-ND2 3.28Å; N3902-N3906 VanDerWaalsContact O-ND2 3.1Å; I3904-N3906 VanDerWaalsContact C-N 3.3Å; I3904-N3906 PolarHBondContact O-N 2.8Å |
| 3907 | G | 56 | Low | 73.1 | Confident | 45 Ų | 45 | 80.9 Ų | 80.9 | 46% | 0.464 | 43% | 0.434 | S | S | . | . | trans | 76.3 | 171.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | I3904 T3909 | I3904-G3907 PolarHBondContact O-N 2.73Å; G3907-T3909 PolarHBondContact O-N 2.81Å | ||
| 3908 | E | 53.6 | Low | 72.9 | Confident | 199 Ų | 199 | 80.7 Ų | 80.7 | 93% | 0.93 | 43% | 0.433 | S | S | * | . | trans | -81.3 | 75.7 | -171.5 | -166.3 | 166.7 | -136.1 | 0 | 0 | 112.4 | S3910 | E3908-S3910 PolarHBondContact O-N 2.78Š| ||
| 3909 | T | 55.3 | Low | 72.8 | Confident | 77 Ų | 77 | 84 Ų | 84 | 47% | 0.472 | 46% | 0.456 | S | S | . | . | trans | -61.9 | 115.9 | 172.7 | 55.6 | 0 | 0 | 0 | 0 | 110.6 | P3870 G3907 V3911 | P3870-T3909 WeakPolarHBondContact CG-OG1 3.49Å; G3907-T3909 PolarHBondContact O-N 2.81Å; T3909-V3911 PolarHBondContact O-N 3.47Å; T3909-V3911 VanDerWaalsContact O-N 3.15Å | ||
| 3910 | S | 49.6 | Very low | 72.6 | Confident | 109 Ų | 109 | 85.3 Ų | 85.3 | 76% | 0.762 | 46% | 0.463 | S | S | * | . | trans | -67.3 | 108.6 | -163.1 | 59.1 | 0 | 0 | 0 | 0 | 115.3 | E3908 | E3908-S3910 PolarHBondContact O-N 2.78Š| ||
| 3911 | V | 47.4 | Very low | 72.5 | Confident | 126 Ų | 126 | 84.1 Ų | 84.1 | 76% | 0.764 | 46% | 0.462 | S | S | * | . | S | Bend | trans | 43.6 | 82.1 | 141.6 | -165.3 | 0 | 0 | 0 | 0 | 117.4 | T3909 | T3909-V3911 PolarHBondContact O-N 3.47Å; T3909-V3911 VanDerWaalsContact O-N 3.15Å |
| 3912 | Q | 52.3 | Low | 72.7 | Confident | 139 Ų | 139 | 78.5 Ų | 78.5 | 65% | 0.65 | 44% | 0.436 | S | S | * | . | trans | -156.1 | 34.8 | 140.5 | -116.8 | -177.2 | 53.4 | 0 | 0 | 113.4 | L3914 H3915 Y3916 | Q3912-L3914 PolarHBondContact O-N 3.04Å; Q3912-L3914 VanDerWaalsContact O-N 3.17Å; Q3912-H3915 HydrophobicContact CG-CB 4.09Å; Q3912-H3915 PolarHBondContact O-N 3.05Å; Q3912-Y3916 PolarHBondContact O-N 3.45Å | ||
| 3913 | Q | 63.1 | Low | 72.8 | Confident | 81 Ų | 81 | 78 Ų | 78 | 38% | 0.379 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.4 | -57 | -160.6 | -63.3 | 175.8 | -2.9 | 0 | 0 | 115.2 | P3870 V3871 | P3870-Q3913 WeakPolarHBondContact O-CG 2.98Å; V3871-Q3913 WeakPolarHBondContact CA-O 3.21Å; V3871-Q3913 WeakPolarHBondContact CG1-O 3.48Å |
| 3914 | L | 65.1 | Low | 73 | Confident | 53 Ų | 53 | 75.6 Ų | 75.6 | 28% | 0.277 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -19.6 | -178.7 | -150.3 | 79.5 | 0 | 0 | 0 | 114.3 | L3875 Q3912 Y3916 L3917 Q3918 W3926 | L3875-L3914 HydrophobicContact CD1-CD1 4.18Å; L3875-L3914 HydrophobicContact CD2-CD1 3.89Å; L3875-L3914 HydrophobicContact CG-CD1 3.86Å; Q3912-L3914 PolarHBondContact O-N 3.04Å; Q3912-L3914 VanDerWaalsContact O-N 3.17Å; L3914-Y3916 VanDerWaalsContact C-N 3.31Å; L3914-Y3916 PolarHBondContact O-N 2.83Å; L3914-L3917 PolarHBondContact O-N 2.74Å; L3914-Q3918 PolarHBondContact O-N 3.48Å; L3914-W3926 HydrophobicContact CD2-CZ2 3.86Å |
| 3915 | H | 76.8 | Confident | 73.4 | Confident | 109 Ų | 109 | 69.4 Ų | 69.4 | 51% | 0.505 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -71.5 | -25 | -177.1 | -75.7 | -61.1 | 0 | 0 | 0 | 112.8 | Q3912 Q3918 S3919 | Q3912-H3915 HydrophobicContact CG-CB 4.09Å; Q3912-H3915 PolarHBondContact O-N 3.05Å; H3915-Q3918 PolarHBondContact ND1-OE1 3.13Å; H3915-Q3918 VanDerWaalsContact ND1-OE1 3.12Å; H3915-Q3918 CarbonylContact O-C 3.57Å; H3915-Q3918 WeakPolarHBondContact O-CA 3.45Å; H3915-Q3918 WeakPolarHBondContact O-CB 3.32Å; H3915-Q3918 PolarHBondContact O-N 2.92Å; H3915-Q3918 VanDerWaalsContact O-N 3.1Å; H3915-S3919 PolarHBondContact O-N 3.3Å; H3915-S3919 PolarHBondContact O-OG 3.23Å |
| 3916 | Y | 83.3 | Confident | 73.8 | Confident | 70 Ų | 70 | 67 Ų | 67 | 28% | 0.275 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 174.1 | -172.8 | -93.9 | 0 | 0 | 0 | 112.4 | A3829 A3832 V3871 Q3912 L3914 Q3918 S3919 I3920 | A3829-Y3916 PolarHBondContact N-OH 3.05Å; A3832-Y3916 HydrophobicContact CB-CD1 4.2Å; A3832-Y3916 HydrophobicContact CB-CE1 3.77Å; V3871-Y3916 HydrophobicContact CG1-CD1 4.31Å; V3871-Y3916 HydrophobicContact CG2-CD1 4Å; V3871-Y3916 HydrophobicContact CG2-CG 4.22Å; Q3912-Y3916 PolarHBondContact O-N 3.45Å; L3914-Y3916 VanDerWaalsContact C-N 3.31Å; L3914-Y3916 PolarHBondContact O-N 2.83Å; Y3916-Q3918 PolarHBondContact O-N 3.24Å; Y3916-S3919 PolarHBondContact O-N 3.18Å; Y3916-S3919 PolarHBondContact O-OG 2.94Å; Y3916-I3920 HydrophobicContact CE1-CD1 4.34Å; Y3916-I3920 HydrophobicContact CE1-CG2 4.3Å; Y3916-I3920 WeakPolarHBondContact O-CG1 3.32Å; Y3916-I3920 PolarHBondContact O-N 3.27Å |
| 3917 | L | 84.3 | Confident | 74.6 | Confident | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64 | -32 | 172.7 | -67.8 | 178.6 | 0 | 0 | 0 | 111.8 | A3836 V3871 L3875 L3914 I3920 F3922 G3923 | A3836-L3917 HydrophobicContact CB-CD1 4.05Å; A3836-L3917 HydrophobicContact CB-CD2 4.05Å; V3871-L3917 HydrophobicContact CG1-CD1 4.06Å; V3871-L3917 HydrophobicContact CG1-CD2 3.96Å; V3871-L3917 HydrophobicContact CG1-CG 3.54Å; L3875-L3917 HydrophobicContact CD1-CD1 4.2Å; L3914-L3917 PolarHBondContact O-N 2.74Å; L3917-I3920 HydrophobicContact CD2-CD1 4.13Å; L3917-I3920 WeakPolarHBondContact O-CG1 3.49Å; L3917-F3922 CarbonylContact O-C 3.56Å; L3917-F3922 VanDerWaalsContact O-C 3.25Å; L3917-F3922 WeakPolarHBondContact O-CA 3.49Å; L3917-F3922 PolarHBondContact O-N 2.73Å; L3917-G3923 PolarHBondContact O-N 2.78Å |
| 3918 | Q | 85.6 | Confident | 76.2 | Confident | 122 Ų | 122 | 70.2 Ų | 70.2 | 57% | 0.57 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -72.2 | -38.8 | 177.2 | -166.4 | 179 | 4.9 | 0 | 0 | 112.5 | L3914 H3915 Y3916 G3921 | L3914-Q3918 PolarHBondContact O-N 3.48Å; H3915-Q3918 PolarHBondContact ND1-OE1 3.13Å; H3915-Q3918 VanDerWaalsContact ND1-OE1 3.12Å; H3915-Q3918 CarbonylContact O-C 3.57Å; H3915-Q3918 WeakPolarHBondContact O-CA 3.45Å; H3915-Q3918 WeakPolarHBondContact O-CB 3.32Å; H3915-Q3918 PolarHBondContact O-N 2.92Å; H3915-Q3918 VanDerWaalsContact O-N 3.1Å; Y3916-Q3918 PolarHBondContact O-N 3.24Å; Q3918-G3921 PolarHBondContact O-N 3.26Å; Q3918-G3921 VanDerWaalsContact O-N 3.14Å |
| 3919 | S | 86.2 | Confident | 78 | Confident | 92 Ų | 92 | 60.9 Ų | 60.9 | 64% | 0.643 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -71.7 | -31.5 | -179.1 | 61.8 | 0 | 0 | 0 | 0 | 113.3 | H3915 Y3916 G3921 | H3915-S3919 PolarHBondContact O-N 3.3Å; H3915-S3919 PolarHBondContact O-OG 3.23Å; Y3916-S3919 PolarHBondContact O-N 3.18Å; Y3916-S3919 PolarHBondContact O-OG 2.94Å; S3919-G3921 PolarHBondContact O-N 3.27Å |
| 3920 | I | 86.8 | Confident | 79.6 | Confident | 28 Ų | 28 | 57.4 Ų | 57.4 | 14% | 0.144 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 2.1 | 170.2 | 69.4 | 177.9 | 0 | 0 | 0 | 113.6 | A3829 L3833 Y3916 L3917 F3922 | A3829-I3920 HydrophobicContact CB-CD1 4.5Å; A3829-I3920 HydrophobicContact CB-CG2 4.28Å; L3833-I3920 HydrophobicContact CD1-CD1 4.34Å; L3833-I3920 HydrophobicContact CD2-CD1 3.72Å; L3833-I3920 HydrophobicContact CG-CD1 3.83Å; Y3916-I3920 HydrophobicContact CE1-CD1 4.34Å; Y3916-I3920 HydrophobicContact CE1-CG2 4.3Å; Y3916-I3920 WeakPolarHBondContact O-CG1 3.32Å; Y3916-I3920 PolarHBondContact O-N 3.27Å; L3917-I3920 HydrophobicContact CD2-CD1 4.13Å; L3917-I3920 WeakPolarHBondContact O-CG1 3.49Å; I3920-F3922 HydrophobicContact CG1-CB 4.28Å; I3920-F3922 HydrophobicContact CG1-CD2 4.15Å; I3920-F3922 VanDerWaalsContact O-CD2 3.28Å; I3920-F3922 WeakPolarHBondContact O-CD2 3.32Å |
| 3921 | G | 86.3 | Confident | 81.5 | Confident | 21 Ų | 21 | 57.9 Ų | 57.9 | 22% | 0.216 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 18.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | G3508 L3509 S3510 Q3918 S3919 | G3508-G3921 CarbonylContact C-O 3.56Å; L3509-G3921 CarbonylContact C-O 3.44Å; L3509-G3921 WeakPolarHBondContact CA-O 3.5Å; L3509-G3921 PolarHBondContact N-O 3.44Å; S3510-G3921 PolarHBondContact N-O 3.1Å; Q3918-G3921 PolarHBondContact O-N 3.26Å; Q3918-G3921 VanDerWaalsContact O-N 3.14Å; S3919-G3921 PolarHBondContact O-N 3.27Å |
| 3922 | F | 92.3 | Very high | 83.4 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | trans | -118.1 | 16 | -177.4 | -77.4 | -91.9 | 0 | 0 | 0 | 114.5 | G3508 L3509 S3510 S3514 F3517 A3518 L3833 L3917 I3920 G3924 L3925 | G3508-F3922 CarbonylContact O-C 3.56Å; G3508-F3922 VanDerWaalsContact O-C 3.27Å; G3508-F3922 WeakPolarHBondContact O-CA 3.4Å; L3509-F3922 HydrophobicContact CD2-CD1 3.47Å; L3509-F3922 VanDerWaalsContact CD2-CD1 3.47Å; L3509-F3922 HydrophobicContact CD2-CE1 3.82Å; L3509-F3922 HydrophobicContact CD2-CG 4.47Å; S3510-F3922 VanDerWaalsContact O-CZ 3.3Å; S3510-F3922 WeakPolarHBondContact O-CZ 3.31Å; S3514-F3922 WeakPolarHBondContact O-CZ 3.41Å; F3517-F3922 HydrophobicContact CB-CE1 3.84Å; F3517-F3922 HydrophobicContact CB-CZ 4.09Å; A3518-F3922 HydrophobicContact CB-CE1 4.07Å; A3518-F3922 HydrophobicContact CB-CZ 4.07Å; L3833-F3922 HydrophobicContact CD1-CD2 4.18Å; L3833-F3922 HydrophobicContact CD1-CE2 4.11Å; L3833-F3922 HydrophobicContact CD1-CZ 4.45Å; L3833-F3922 HydrophobicContact CD2-CB 3.59Å; L3833-F3922 HydrophobicContact CD2-CD1 3.69Å; L3833-F3922 HydrophobicContact CD2-CD2 3.63Å; L3833-F3922 HydrophobicContact CD2-CE1 4.31Å; L3833-F3922 HydrophobicContact CD2-CE2 4.27Å; L3833-F3922 HydrophobicContact CD2-CG 3.32Å; L3917-F3922 CarbonylContact O-C 3.56Å; L3917-F3922 VanDerWaalsContact O-C 3.25Å; L3917-F3922 WeakPolarHBondContact O-CA 3.49Å; L3917-F3922 PolarHBondContact O-N 2.73Å; I3920-F3922 HydrophobicContact CG1-CB 4.28Å; I3920-F3922 HydrophobicContact CG1-CD2 4.15Å; I3920-F3922 VanDerWaalsContact O-CD2 3.28Å; I3920-F3922 WeakPolarHBondContact O-CD2 3.32Å; F3922-G3924 PolarHBondContact O-N 3.49Å; F3922-L3925 WeakPolarHBondContact O-CB 3.3Å; F3922-L3925 PolarHBondContact O-N 3.5Å | ||
| 3923 | G | 87.1 | Confident | 84.8 | Confident | 17 Ų | 17 | 48.9 Ų | 48.9 | 18% | 0.175 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -16.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | L3917 W3926 | L3917-G3923 PolarHBondContact O-N 2.78Å; G3923-W3926 PolarHBondContact O-NE1 3.24Å; G3923-W3926 VanDerWaalsContact O-NE1 3.11Å |
| 3924 | G | 88 | Confident | 84.9 | Confident | 6 Ų | 6 | 54.5 Ų | 54.5 | 6% | 0.062 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -12.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | V3507 G3508 F3922 W3926 R3927 F3928 | V3507-G3924 WeakPolarHBondContact O-CA 3.34Å; G3508-G3924 WeakPolarHBondContact O-CA 3.46Å; G3508-G3924 PolarHBondContact O-N 2.98Å; F3922-G3924 PolarHBondContact O-N 3.49Å; G3924-W3926 VanDerWaalsContact C-N 3.32Å; G3924-W3926 PolarHBondContact O-N 3.44Å; G3924-R3927 WeakPolarHBondContact O-CA 3.4Å; G3924-R3927 WeakPolarHBondContact O-CB 3.35Å; G3924-R3927 PolarHBondContact O-N 3.29Å; G3924-F3928 PolarHBondContact O-N 3.18Å |
| 3925 | L | 91.7 | Very high | 84.4 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -49.6 | -47.9 | -173.4 | 176.5 | 62.9 | 0 | 0 | 0 | 113.6 | L3509 L3524 A3836 V3837 F3922 S3929 | L3509-L3925 HydrophobicContact CD2-CB 3.8Å; L3509-L3925 HydrophobicContact CD2-CD1 3.91Å; L3509-L3925 HydrophobicContact CD2-CG 4.45Å; L3524-L3925 HydrophobicContact CD1-CD1 4.2Å; A3836-L3925 HydrophobicContact CB-CD2 4.05Å; V3837-L3925 HydrophobicContact CG2-CD2 4.09Å; F3922-L3925 WeakPolarHBondContact O-CB 3.3Å; F3922-L3925 PolarHBondContact O-N 3.5Å; L3925-S3929 WeakPolarHBondContact O-CB 3.37Å; L3925-S3929 PolarHBondContact O-N 3.31Å; L3925-S3929 PolarHBondContact O-OG 2.88Å |
| 3926 | W | 87.5 | Confident | 83.5 | Confident | 35 Ų | 35 | 53.2 Ų | 53.2 | 13% | 0.133 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -77.9 | -17.3 | -179.6 | 65.7 | -89.4 | 0 | 0 | 0 | 113.8 | Y3844 L3875 L3914 G3923 G3924 | Y3844-W3926 VanDerWaalsContact CE2-O 3.31Å; Y3844-W3926 WeakPolarHBondContact CE2-O 3.41Å; Y3844-W3926 PolarHBondContact OH-O 2.9Å; L3875-W3926 HydrophobicContact CD1-CB 4.14Å; L3875-W3926 HydrophobicContact CD1-CG 4.09Å; L3875-W3926 HydrophobicContact CD2-CB 4.1Å; L3875-W3926 HydrophobicContact CD2-CD2 3.5Å; L3875-W3926 VanDerWaalsContact CD2-CD2 3.5Å; L3875-W3926 HydrophobicContact CD2-CE3 3.93Å; L3875-W3926 HydrophobicContact CD2-CG 3.58Å; L3875-W3926 HydrophobicContact CD2-CZ2 4.46Å; L3914-W3926 HydrophobicContact CD2-CZ2 3.86Å; G3923-W3926 PolarHBondContact O-NE1 3.24Å; G3923-W3926 VanDerWaalsContact O-NE1 3.11Å; G3924-W3926 VanDerWaalsContact C-N 3.32Å; G3924-W3926 PolarHBondContact O-N 3.44Å |
| 3927 | R | 88.6 | Confident | 82.6 | Confident | 166 Ų | 166 | 57.1 Ų | 57.1 | 63% | 0.626 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -85.2 | -50.2 | 176.3 | -62.9 | -177.5 | 177.4 | 177 | -0.4 | 110.7 | G3924 S3929 G3930 | G3924-R3927 WeakPolarHBondContact O-CA 3.4Å; G3924-R3927 WeakPolarHBondContact O-CB 3.35Å; G3924-R3927 PolarHBondContact O-N 3.29Å; R3927-S3929 VanDerWaalsContact C-N 3.34Å; R3927-S3929 PolarHBondContact O-N 3.41Å; R3927-G3930 PolarHBondContact O-N 2.88Å |
| 3928 | F | 90.1 | Very high | 82.2 | Confident | 21 Ų | 21 | 58.7 Ų | 58.7 | 9% | 0.092 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.4 | -44.4 | -177.3 | -172.4 | -91.7 | 0 | 0 | 0 | 111.7 | L3452 Q3453 V3507 G3521 H3522 K3525 G3924 G3930 | L3452-F3928 WeakPolarHBondContact O-CZ 3.37Å; Q3453-F3928 HydrophobicContact CB-CE2 4.45Å; Q3453-F3928 HydrophobicContact CG-CE2 4.43Å; V3507-F3928 HydrophobicContact CG1-CB 4.41Å; V3507-F3928 HydrophobicContact CG1-CD2 3.71Å; V3507-F3928 HydrophobicContact CG1-CE2 4.23Å; V3507-F3928 HydrophobicContact CG1-CG 4.08Å; G3521-F3928 WeakPolarHBondContact O-CD1 3.35Å; H3522-F3928 HydrophobicContact CB-CE1 4.49Å; K3525-F3928 HydrophobicContact CB-CE1 4.29Å; K3525-F3928 HydrophobicContact CD-CE1 4.19Å; K3525-F3928 HydrophobicContact CD-CZ 4.48Å; K3525-F3928 VanDerWaalsContact CD-O 3.24Å; K3525-F3928 WeakPolarHBondContact CD-O 3.35Å; K3525-F3928 WeakPolarHBondContact CE-O 3.49Å; K3525-F3928 PolarHBondContact NZ-O 3.48Å; G3924-F3928 PolarHBondContact O-N 3.18Å; F3928-G3930 PolarHBondContact O-N 3.35Å |
| 3929 | S | 90.6 | Very high | 81.9 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 4.9 | -179.5 | -50.7 | 0 | 0 | 0 | 0 | 115.3 | L3524 T3840 L3925 R3927 | L3524-S3929 WeakPolarHBondContact CB-OG 3.36Å; T3840-S3929 VanDerWaalsContact CG2-CB 3.43Å; L3925-S3929 WeakPolarHBondContact O-CB 3.37Å; L3925-S3929 PolarHBondContact O-N 3.31Å; L3925-S3929 PolarHBondContact O-OG 2.88Å; R3927-S3929 VanDerWaalsContact C-N 3.34Å; R3927-S3929 PolarHBondContact O-N 3.41Å |
| 3930 | G | 88.8 | Confident | 81.8 | Confident | 5 Ų | 5 | 55.1 Ų | 55.1 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -72.1 | -172.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K3525 R3927 F3928 | K3525-G3930 VanDerWaalsContact CE-O 3.24Å; K3525-G3930 WeakPolarHBondContact CE-O 3.19Å; R3927-G3930 PolarHBondContact O-N 2.88Å; F3928-G3930 PolarHBondContact O-N 3.35Å |
| 3931 | H | 88.8 | Confident | 81.9 | Confident | 119 Ų | 119 | 54.9 Ų | 54.9 | 55% | 0.551 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -64 | 153.3 | 171 | -57.6 | 109.2 | 0 | 0 | 0 | 111.4 | Y3844 S3933 | Y3844-H3931 AromaticContact CD1-CE1 3.93Å; H3931-S3933 PolarHBondContact O-N 2.75Å |
| 3932 | F | 89.1 | Confident | 82 | Confident | 33 Ų | 33 | 53.9 Ų | 53.9 | 15% | 0.145 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 133.7 | 174.3 | -71.1 | -90.1 | 0 | 0 | 0 | 111.3 | D3455 V3457 Y3460 K3525 H3529 | D3455-F3932 WeakPolarHBondContact OD1-CA 3.3Å; D3455-F3932 WeakPolarHBondContact OD1-CD1 3.45Å; V3457-F3932 HydrophobicContact CG2-CB 3.94Å; V3457-F3932 HydrophobicContact CG2-CD1 4.01Å; V3457-F3932 HydrophobicContact CG2-CG 3.89Å; Y3460-F3932 HydrophobicContact CD1-CE1 4.45Å; Y3460-F3932 AromaticContact CD1-CZ 3.89Å; Y3460-F3932 HydrophobicContact CD1-CZ 3.89Å; Y3460-F3932 AromaticContact CD2-CE1 3.86Å; Y3460-F3932 HydrophobicContact CD2-CE1 3.86Å; Y3460-F3932 AromaticContact CD2-CZ 3.91Å; Y3460-F3932 HydrophobicContact CD2-CZ 3.91Å; Y3460-F3932 HydrophobicContact CE1-CZ 4.45Å; Y3460-F3932 HydrophobicContact CE2-CZ 4.45Å; Y3460-F3932 AromaticContact CG-CE1 3.73Å; Y3460-F3932 HydrophobicContact CG-CE1 3.73Å; Y3460-F3932 AromaticContact CG-CZ 3.62Å; Y3460-F3932 HydrophobicContact CG-CZ 3.62Å; K3525-F3932 HydrophobicContact CD-CE1 4.13Å; K3525-F3932 HydrophobicContact CD-CZ 4.19Å; K3525-F3932 HydrophobicContact CG-CE1 4.33Å; K3525-F3932 HydrophobicContact CG-CE2 4.07Å; K3525-F3932 HydrophobicContact CG-CZ 3.87Å; H3529-F3932 HydrophobicContact CB-CE2 4.06Å |
| 3933 | S | 81.8 | Confident | 81.9 | Confident | 43 Ų | 43 | 56.7 Ų | 56.7 | 30% | 0.301 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 147.7 | 177.7 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | D3455 H3931 A3935 | D3455-S3933 WeakPolarHBondContact OD2-CB 3.47Å; D3455-S3933 PolarHBondContact OD2-N 3.21Å; D3455-S3933 PolarHBondContact OD2-OG 3.47Å; H3931-S3933 PolarHBondContact O-N 2.75Å; S3933-A3935 PolarHBondContact O-N 3.47Å |
| 3934 | K | 64 | Low | 82.1 | Confident | 199 Ų | 199 | 57.7 Ų | 57.7 | 87% | 0.865 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 124.8 | 157.9 | -67.6 | -175.7 | 179.3 | -178.9 | 0 | 106.6 | ||
| 3935 | A | 55.4 | Low | 82.4 | Confident | 52 Ų | 52 | 57.5 Ų | 57.5 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -43.8 | 153.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S3933 | S3933-A3935 PolarHBondContact O-N 3.47Š|
| 3936 | N | 57.4 | Low | 82.4 | Confident | 83 Ų | 83 | 57.5 Ų | 57.5 | 44% | 0.444 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 93.9 | 40.6 | -170.4 | -54.6 | -92.9 | 0 | 0 | 0 | 117.3 | R3406 | R3406-N3936 PolarHBondContact NH1-OD1 2.65Š|
| 3937 | Q | 64.2 | Low | 82.6 | Confident | 152 Ų | 152 | 59 Ų | 59 | 71% | 0.71 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -129 | -15.3 | 166.9 | -65.3 | -166.3 | 34.5 | 0 | 0 | 116.2 | ||
| 3938 | N | 76.1 | Confident | 82.8 | Confident | 33 Ų | 33 | 51.1 Ų | 51.1 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | trans | -106.4 | 29.6 | -170.2 | -70 | 30.8 | 0 | 0 | 0 | 114.6 | Q3453 D3455 D3940 T3941 A3942 | Q3453-N3938 PolarHBondContact O-ND2 3.13Å; Q3453-N3938 VanDerWaalsContact O-ND2 3.14Å; D3455-N3938 VanDerWaalsContact CB-ND2 3.33Å; D3455-N3938 WeakPolarHBondContact CB-ND2 3.4Å; N3938-D3940 PolarHBondContact O-N 3.35Å; N3938-T3941 PolarHBondContact O-N 3.17Å; N3938-A3942 WeakPolarHBondContact O-CB 3.19Å; N3938-A3942 PolarHBondContact O-N 3.02Å | ||
| 3939 | A | 79 | Confident | 82.8 | Confident | 14 Ų | 14 | 50.1 Ų | 50.1 | 12% | 0.116 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.7 | -45.3 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | L3399 N3400 T3941 A3942 Q3943 | L3399-A3939 HydrophobicContact CB-CB 3.8Å; L3399-A3939 HydrophobicContact CD1-CB 4.18Å; N3400-A3939 VanDerWaalsContact OD1-CB 3.28Å; N3400-A3939 WeakPolarHBondContact OD1-CB 3.11Å; A3939-T3941 VanDerWaalsContact C-N 3.34Å; A3939-T3941 PolarHBondContact O-N 3.43Å; A3939-A3942 PolarHBondContact O-N 2.92Å; A3939-Q3943 PolarHBondContact O-N 2.86Å |
| 3940 | D | 84.7 | Confident | 82.8 | Confident | 125 Ų | 125 | 54.6 Ų | 54.6 | 67% | 0.668 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -61.2 | -42.3 | 176.5 | -60.7 | -39.1 | 0 | 0 | 0 | 111.7 | N3938 Q3943 L3944 | N3938-D3940 PolarHBondContact O-N 3.35Å; D3940-Q3943 PolarHBondContact O-N 3.03Å; D3940-L3944 WeakPolarHBondContact O-CG 3.5Å; D3940-L3944 PolarHBondContact O-N 3.08Å |
| 3941 | T | 87.5 | Confident | 82.8 | Confident | 24 Ų | 24 | 56.7 Ų | 56.7 | 15% | 0.147 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 178.5 | -43.9 | 0 | 0 | 0 | 0 | 111.5 | Q3453 N3938 A3939 L3944 F3945 | Q3453-T3941 HydrophobicContact CB-CG2 4.04Å; N3938-T3941 PolarHBondContact O-N 3.17Å; A3939-T3941 VanDerWaalsContact C-N 3.34Å; A3939-T3941 PolarHBondContact O-N 3.43Å; T3941-L3944 PolarHBondContact O-N 3.23Å; T3941-F3945 WeakPolarHBondContact O-CB 3.41Å; T3941-F3945 PolarHBondContact O-N 3.42Å |
| 3942 | A | 89.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A3396 L3454 N3938 A3939 F3945 V3946 | A3396-A3942 HydrophobicContact CB-CB 3.87Å; L3454-A3942 HydrophobicContact CD2-CB 3.98Å; N3938-A3942 WeakPolarHBondContact O-CB 3.19Å; N3938-A3942 PolarHBondContact O-N 3.02Å; A3939-A3942 PolarHBondContact O-N 2.92Å; A3942-F3945 PolarHBondContact O-N 3.04Å; A3942-V3946 WeakPolarHBondContact O-CG2 3.44Å; A3942-V3946 PolarHBondContact O-N 3.02Å |
| 3943 | Q | 90.8 | Very high | 82.7 | Confident | 59 Ų | 59 | 49.7 Ų | 49.7 | 28% | 0.276 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.1 | -39 | 177.5 | -170.9 | 59.6 | 58.5 | 0 | 0 | 112.6 | A3939 D3940 F3945 V3946 N3947 | A3939-Q3943 PolarHBondContact O-N 2.86Å; D3940-Q3943 PolarHBondContact O-N 3.03Å; Q3943-F3945 VanDerWaalsContact C-N 3.31Å; Q3943-F3945 PolarHBondContact O-N 3.21Å; Q3943-V3946 PolarHBondContact O-N 3.42Å; Q3943-N3947 PolarHBondContact NE2-OD1 3.38Å; Q3943-N3947 PolarHBondContact O-N 2.85Å; Q3943-N3947 PolarHBondContact O-OD1 3.44Å; Q3943-N3947 VanDerWaalsContact O-OD1 3.1Å |
| 3944 | L | 91.8 | Very high | 82.8 | Confident | 39 Ų | 39 | 53 Ų | 53 | 20% | 0.204 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 171.9 | -72.5 | 174.8 | 0 | 0 | 0 | 111.7 | Q3502 M3503 A3506 D3940 T3941 N3947 F3948 | Q3502-L3944 HydrophobicContact CB-CD2 4Å; M3503-L3944 HydrophobicContact CG-CB 4.25Å; A3506-L3944 HydrophobicContact CB-CD1 3.7Å; D3940-L3944 WeakPolarHBondContact O-CG 3.5Å; D3940-L3944 PolarHBondContact O-N 3.08Å; T3941-L3944 PolarHBondContact O-N 3.23Å; L3944-N3947 PolarHBondContact O-N 2.85Å; L3944-F3948 WeakPolarHBondContact O-CB 3.5Å; L3944-F3948 PolarHBondContact O-N 3.17Å |
| 3945 | F | 93.3 | Very high | 83.5 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.8 | -36 | 177.3 | -174.1 | -133.8 | 0 | 0 | 0 | 112.8 | L3392 I3447 I3451 L3454 M3503 T3941 A3942 Q3943 F3948 L3949 | L3392-F3945 HydrophobicContact CD1-CD1 3.75Å; L3392-F3945 HydrophobicContact CD1-CE1 3.62Å; L3392-F3945 HydrophobicContact CD2-CD1 4.37Å; I3447-F3945 HydrophobicContact CG2-CZ 4.39Å; I3451-F3945 HydrophobicContact CG1-CE1 3.95Å; I3451-F3945 HydrophobicContact CG1-CZ 3.95Å; L3454-F3945 HydrophobicContact CD1-CD1 4.34Å; L3454-F3945 HydrophobicContact CD1-CE1 4.4Å; L3454-F3945 HydrophobicContact CD2-CD1 4.19Å; L3454-F3945 HydrophobicContact CG-CD1 4.49Å; M3503-F3945 HydrophobicContact CE-CB 4.46Å; M3503-F3945 HydrophobicContact CE-CD2 3.78Å; T3941-F3945 WeakPolarHBondContact O-CB 3.41Å; T3941-F3945 PolarHBondContact O-N 3.42Å; A3942-F3945 PolarHBondContact O-N 3.04Å; Q3943-F3945 VanDerWaalsContact C-N 3.31Å; Q3943-F3945 PolarHBondContact O-N 3.21Å; F3945-F3948 AromaticContact CD2-CD1 3.65Å; F3945-F3948 HydrophobicContact CD2-CD1 3.65Å; F3945-F3948 HydrophobicContact CD2-CE1 4.27Å; F3945-F3948 AromaticContact CE2-CD1 3.71Å; F3945-F3948 HydrophobicContact CE2-CD1 3.71Å; F3945-F3948 AromaticContact CE2-CE1 3.89Å; F3945-F3948 HydrophobicContact CE2-CE1 3.89Å; F3945-F3948 PolarHBondContact O-N 2.94Å; F3945-L3949 HydrophobicContact CD1-CD1 4.14Å; F3945-L3949 HydrophobicContact CD2-CD1 4.49Å; F3945-L3949 HydrophobicContact CD2-CG 4.33Å; F3945-L3949 HydrophobicContact CE1-CD1 3.87Å; F3945-L3949 HydrophobicContact CE2-CD1 4.22Å; F3945-L3949 HydrophobicContact CE2-CD2 4.2Å; F3945-L3949 HydrophobicContact CE2-CG 4.02Å; F3945-L3949 HydrophobicContact CG-CD1 4.45Å; F3945-L3949 HydrophobicContact CZ-CD1 3.9Å; F3945-L3949 HydrophobicContact CZ-CD2 4.2Å; F3945-L3949 HydrophobicContact CZ-CG 4.15Å; F3945-L3949 VanDerWaalsContact O-CG 3.32Å; F3945-L3949 WeakPolarHBondContact O-CG 3.45Å; F3945-L3949 PolarHBondContact O-N 3.05Å |
| 3946 | V | 92.6 | Very high | 84 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60 | -52 | 169.7 | 169.5 | 0 | 0 | 0 | 0 | 110.7 | L3392 A3393 A3942 Q3943 F3948 L3949 E3950 | L3392-V3946 HydrophobicContact CB-CG2 3.57Å; A3393-V3946 HydrophobicContact CB-CG1 3.99Å; A3393-V3946 HydrophobicContact CB-CG2 4.17Å; A3942-V3946 WeakPolarHBondContact O-CG2 3.44Å; A3942-V3946 PolarHBondContact O-N 3.02Å; Q3943-V3946 PolarHBondContact O-N 3.42Å; V3946-F3948 PolarHBondContact O-N 3.37Å; V3946-L3949 PolarHBondContact O-N 2.99Å; V3946-E3950 HydrophobicContact CG1-CG 4.46Å; V3946-E3950 PolarHBondContact O-N 2.98Å |
| 3947 | N | 91.3 | Very high | 84.3 | Confident | 66 Ų | 66 | 41.7 Ų | 41.7 | 35% | 0.353 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.5 | -36.6 | -179.9 | -62.6 | -3.2 | 0 | 0 | 0 | 111.8 | Q3943 L3944 V3951 | Q3943-N3947 PolarHBondContact NE2-OD1 3.38Å; Q3943-N3947 PolarHBondContact O-N 2.85Å; Q3943-N3947 PolarHBondContact O-OD1 3.44Å; Q3943-N3947 VanDerWaalsContact O-OD1 3.1Å; L3944-N3947 PolarHBondContact O-N 2.85Å; N3947-V3951 WeakPolarHBondContact O-CG2 3.39Å; N3947-V3951 PolarHBondContact O-N 3.23Å |
| 3948 | F | 91.6 | Very high | 83.6 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.1 | -48.9 | 172.4 | 161.9 | -107 | 0 | 0 | 0 | 112.5 | W3446 I3447 Q3499 Y3500 M3503 L3944 F3945 V3946 E3950 V3951 L3952 | W3446-F3948 HydrophobicContact CB-CZ 4.1Å; I3447-F3948 HydrophobicContact CG1-CE1 4.2Å; Q3499-F3948 HydrophobicContact CB-CB 4.5Å; Q3499-F3948 HydrophobicContact CB-CD2 4.45Å; Y3500-F3948 HydrophobicContact CD1-CE2 4.27Å; Y3500-F3948 HydrophobicContact CE1-CD2 4.16Å; Y3500-F3948 AromaticContact CE1-CE2 3.44Å; Y3500-F3948 HydrophobicContact CE1-CE2 3.44Å; Y3500-F3948 VanDerWaalsContact CE1-CE2 3.44Å; Y3500-F3948 AromaticContact CE1-CZ 3.77Å; Y3500-F3948 HydrophobicContact CE1-CZ 3.77Å; Y3500-F3948 HydrophobicContact CE2-CE2 4.07Å; Y3500-F3948 AromaticContact CZ-CE2 3.33Å; Y3500-F3948 AromaticContact CZ-CZ 3.84Å; Y3500-F3948 VanDerWaalsContact OH-CE2 3.29Å; Y3500-F3948 WeakPolarHBondContact OH-CE2 3.39Å; Y3500-F3948 WeakPolarHBondContact OH-CZ 3.43Å; M3503-F3948 HydrophobicContact SD-CB 3.75Å; M3503-F3948 HydrophobicContact SD-CD1 4.2Å; M3503-F3948 HydrophobicContact SD-CD2 4.45Å; M3503-F3948 HydrophobicContact SD-CG 3.87Å; L3944-F3948 WeakPolarHBondContact O-CB 3.5Å; L3944-F3948 PolarHBondContact O-N 3.17Å; F3945-F3948 AromaticContact CD2-CD1 3.65Å; F3945-F3948 HydrophobicContact CD2-CD1 3.65Å; F3945-F3948 HydrophobicContact CD2-CE1 4.27Å; F3945-F3948 AromaticContact CE2-CD1 3.71Å; F3945-F3948 HydrophobicContact CE2-CD1 3.71Å; F3945-F3948 AromaticContact CE2-CE1 3.89Å; F3945-F3948 HydrophobicContact CE2-CE1 3.89Å; F3945-F3948 PolarHBondContact O-N 2.94Å; V3946-F3948 PolarHBondContact O-N 3.37Å; F3948-E3950 PolarHBondContact O-N 2.94Å; F3948-V3951 PolarHBondContact O-N 3.08Å; F3948-L3952 HydrophobicContact CE1-CD1 3.86Å; F3948-L3952 HydrophobicContact CE2-CB 4.43Å; F3948-L3952 HydrophobicContact CE2-CD1 3.66Å; F3948-L3952 HydrophobicContact CZ-CD1 3.23Å; F3948-L3952 VanDerWaalsContact O-CB 3.29Å; F3948-L3952 WeakPolarHBondContact O-CB 3.13Å; F3948-L3952 PolarHBondContact O-N 3.09Å |
| 3949 | L | 91.5 | Very high | 82.2 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | -179.1 | -76 | 169.7 | 0 | 0 | 0 | 112.2 | M3388 L3392 I3447 F3945 V3946 L3952 I3953 | M3388-L3949 HydrophobicContact CE-CD1 3.83Å; M3388-L3949 HydrophobicContact CE-CD2 3.85Å; L3392-L3949 HydrophobicContact CD1-CD1 3.38Å; I3447-L3949 HydrophobicContact CD1-CD2 4.3Å; I3447-L3949 HydrophobicContact CG1-CD2 3.9Å; I3447-L3949 HydrophobicContact CG2-CD2 4.41Å; F3945-L3949 HydrophobicContact CD1-CD1 4.14Å; F3945-L3949 HydrophobicContact CD2-CD1 4.49Å; F3945-L3949 HydrophobicContact CD2-CG 4.33Å; F3945-L3949 HydrophobicContact CE1-CD1 3.87Å; F3945-L3949 HydrophobicContact CE2-CD1 4.22Å; F3945-L3949 HydrophobicContact CE2-CD2 4.2Å; F3945-L3949 HydrophobicContact CE2-CG 4.02Å; F3945-L3949 HydrophobicContact CG-CD1 4.45Å; F3945-L3949 HydrophobicContact CZ-CD1 3.9Å; F3945-L3949 HydrophobicContact CZ-CD2 4.2Å; F3945-L3949 HydrophobicContact CZ-CG 4.15Å; F3945-L3949 VanDerWaalsContact O-CG 3.32Å; F3945-L3949 WeakPolarHBondContact O-CG 3.45Å; F3945-L3949 PolarHBondContact O-N 3.05Å; V3946-L3949 PolarHBondContact O-N 2.99Å; L3949-L3952 PolarHBondContact O-N 3.45Å; L3949-I3953 HydrophobicContact CB-CD1 4.49Å; L3949-I3953 VanDerWaalsContact O-CB 3.31Å; L3949-I3953 WeakPolarHBondContact O-CB 3.44Å; L3949-I3953 VanDerWaalsContact O-CD1 3.26Å; L3949-I3953 WeakPolarHBondContact O-CD1 3.29Å; L3949-I3953 WeakPolarHBondContact O-CG1 3.36Å; L3949-I3953 PolarHBondContact O-N 3.28Å |
| 3950 | E | 90.3 | Very high | 80.2 | Confident | 96 Ų | 96 | 47 Ų | 47 | 45% | 0.449 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 179.2 | -65.6 | -170.1 | 149.5 | 0 | 0 | 111.7 | S3389 V3946 F3948 L3952 I3953 D3954 | S3389-E3950 WeakPolarHBondContact OG-CG 3.34Å; V3946-E3950 HydrophobicContact CG1-CG 4.46Å; V3946-E3950 PolarHBondContact O-N 2.98Å; F3948-E3950 PolarHBondContact O-N 2.94Å; E3950-L3952 PolarHBondContact O-N 2.84Å; E3950-I3953 PolarHBondContact O-N 3.19Å; E3950-D3954 PolarHBondContact O-N 3.08Å; E3950-D3954 VanDerWaalsContact O-N 3.11Å |
| 3951 | V | 88.9 | Confident | 78.1 | Confident | 50 Ų | 50 | 44.9 Ų | 44.9 | 30% | 0.303 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.5 | -42 | 177.2 | 173.7 | 0 | 0 | 0 | 0 | 111.8 | F3496 N3947 F3948 S3955 | F3496-V3951 HydrophobicContact CD1-CG1 3.58Å; F3496-V3951 HydrophobicContact CE1-CG1 3.9Å; F3496-V3951 HydrophobicContact CG-CG1 4.42Å; N3947-V3951 WeakPolarHBondContact O-CG2 3.39Å; N3947-V3951 PolarHBondContact O-N 3.23Å; F3948-V3951 PolarHBondContact O-N 3.08Å; V3951-S3955 VanDerWaalsContact O-CB 3.24Å; V3951-S3955 WeakPolarHBondContact O-CB 3.22Å; V3951-S3955 PolarHBondContact O-N 3.23Å; V3951-S3955 VanDerWaalsContact O-N 3.1Å; V3951-S3955 PolarHBondContact O-OG 3.29Å |
| 3952 | L | 88.1 | Confident | 75.9 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 177 | 179.8 | 159.1 | 0 | 0 | 0 | 111.7 | P3443 I3447 F3948 L3949 E3950 D3954 S3955 H3956 L3957 | P3443-L3952 HydrophobicContact CB-CD1 4.05Å; P3443-L3952 HydrophobicContact CB-CD2 4.24Å; P3443-L3952 HydrophobicContact CB-CG 4.38Å; I3447-L3952 HydrophobicContact CD1-CD1 4.11Å; I3447-L3952 HydrophobicContact CD1-CD2 4.06Å; I3447-L3952 HydrophobicContact CG1-CD1 4.13Å; F3948-L3952 HydrophobicContact CE1-CD1 3.86Å; F3948-L3952 HydrophobicContact CE2-CB 4.43Å; F3948-L3952 HydrophobicContact CE2-CD1 3.66Å; F3948-L3952 HydrophobicContact CZ-CD1 3.23Å; F3948-L3952 VanDerWaalsContact O-CB 3.29Å; F3948-L3952 WeakPolarHBondContact O-CB 3.13Å; F3948-L3952 PolarHBondContact O-N 3.09Å; L3949-L3952 PolarHBondContact O-N 3.45Å; E3950-L3952 PolarHBondContact O-N 2.84Å; L3952-D3954 PolarHBondContact O-N 3.15Å; L3952-S3955 PolarHBondContact O-N 3.38Å; L3952-H3956 PolarHBondContact O-N 3.12Å; L3952-L3957 HydrophobicContact CD2-CD1 4.44Å |
| 3953 | I | 87.8 | Confident | 73.2 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.8 | -40.9 | -179.4 | -75 | 162.1 | 0 | 0 | 0 | 111.7 | K3382 L3385 R3386 L3949 E3950 L3957 | K3382-I3953 VanDerWaalsContact CE-O 3.23Å; K3382-I3953 WeakPolarHBondContact CE-O 3.43Å; K3382-I3953 HydrophobicContact CG-CG2 4Å; L3385-I3953 HydrophobicContact CB-CD1 3.87Å; L3385-I3953 HydrophobicContact CB-CG1 4.02Å; R3386-I3953 HydrophobicContact CB-CD1 4.28Å; L3949-I3953 HydrophobicContact CB-CD1 4.49Å; L3949-I3953 VanDerWaalsContact O-CB 3.31Å; L3949-I3953 WeakPolarHBondContact O-CB 3.44Å; L3949-I3953 VanDerWaalsContact O-CD1 3.26Å; L3949-I3953 WeakPolarHBondContact O-CD1 3.29Å; L3949-I3953 WeakPolarHBondContact O-CG1 3.36Å; L3949-I3953 PolarHBondContact O-N 3.28Å; E3950-I3953 PolarHBondContact O-N 3.19Å; I3953-L3957 HydrophobicContact CG1-CD1 4.42Å |
| 3954 | D | 83.7 | Confident | 70.5 | Confident | 113 Ų | 113 | 62.1 Ų | 62.1 | 60% | 0.604 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -81.5 | -17.5 | -178.8 | -70.2 | -15.6 | 0 | 0 | 0 | 112.8 | R3386 E3950 L3952 | R3386-D3954 IonicContact NH2-OD1 2.78Å; R3386-D3954 PolarHBondContact NH2-OD1 2.83Å; E3950-D3954 PolarHBondContact O-N 3.08Å; E3950-D3954 VanDerWaalsContact O-N 3.11Å; L3952-D3954 PolarHBondContact O-N 3.15Å |
| 3955 | S | 78.6 | Confident | 67.4 | Low | 68 Ų | 68 | 64 Ų | 64 | 48% | 0.476 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -98.7 | -46.8 | -177.4 | -53.3 | 0 | 0 | 0 | 0 | 115.1 | V3951 L3952 | V3951-S3955 VanDerWaalsContact O-CB 3.24Å; V3951-S3955 WeakPolarHBondContact O-CB 3.22Å; V3951-S3955 PolarHBondContact O-N 3.23Å; V3951-S3955 VanDerWaalsContact O-N 3.1Å; V3951-S3955 PolarHBondContact O-OG 3.29Å; L3952-S3955 PolarHBondContact O-N 3.38Å |
| 3956 | H | 65.7 | Low | 64.5 | Low | 19 Ų | 19 | 70.4 Ų | 70.4 | 9% | 0.088 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -97.6 | -12 | -169.1 | -93.7 | -48.8 | 0 | 0 | 0 | 115.7 | P3443 Q3495 F3496 L3952 P3958 | P3443-H3956 HydrophobicContact CG-CB 4.41Å; Q3495-H3956 PolarHBondContact OE1-CE1 3Å; Q3495-H3956 VanDerWaalsContact OE1-CE1 3.26Å; F3496-H3956 AromaticContact CE2-CD2 3.36Å; F3496-H3956 WeakPolarHBondContact CE2-CD2 3.43Å; F3496-H3956 AromaticContact CE2-NE2 3.48Å; F3496-H3956 WeakPolarHBondContact CE2-NE2 3.42Å; F3496-H3956 AromaticContact CZ-CD2 3.58Å; F3496-H3956 AromaticContact CZ-NE2 3.81Å; L3952-H3956 PolarHBondContact O-N 3.12Å; H3956-P3958 VanDerWaalsContact O-CD 3.24Å; H3956-P3958 WeakPolarHBondContact O-CD 3.18Å |
| 3957 | L | 63.2 | Low | 61.3 | Low | 9 Ų | 9 | 75 Ų | 75 | 5% | 0.047 | 40% | 0.402 | C | S | . | . | trans | -110.2 | 97.3 | -168 | -75.3 | 162.7 | 0 | 0 | 0 | 110.7 | D3378 I3381 K3382 L3385 T3440 L3952 I3953 G3959 | D3378-L3957 HydrophobicContact CB-CD2 4.36Å; I3381-L3957 HydrophobicContact CG2-CD2 4.5Å; K3382-L3957 HydrophobicContact CB-CB 3.97Å; K3382-L3957 HydrophobicContact CB-CD1 4.01Å; K3382-L3957 HydrophobicContact CB-CD2 4.47Å; K3382-L3957 HydrophobicContact CB-CG 4.38Å; K3382-L3957 HydrophobicContact CD-CB 3.7Å; K3382-L3957 WeakPolarHBondContact CD-O 3.44Å; K3382-L3957 WeakPolarHBondContact CE-O 3.32Å; K3382-L3957 HydrophobicContact CG-CB 3.7Å; K3382-L3957 HydrophobicContact CG-CD1 4.03Å; K3382-L3957 HydrophobicContact CG-CG 4.42Å; K3382-L3957 PolarHBondContact NZ-O 3.4Å; L3385-L3957 HydrophobicContact CD1-CD1 3.94Å; T3440-L3957 HydrophobicContact CG2-CD2 3.32Å; L3952-L3957 HydrophobicContact CD2-CD1 4.44Å; I3953-L3957 HydrophobicContact CG1-CD1 4.42Å; L3957-G3959 PolarHBondContact O-N 3.34Å | ||
| 3958 | P | 49.3 | Very low | 58.2 | Low | 92 Ų | 92 | 76.9 Ų | 76.9 | 60% | 0.597 | 42% | 0.417 | S | S | * | . | trans | -62 | 134 | 176.7 | 25.6 | -33.8 | 0 | 0 | 0 | 110.5 | H3956 | H3956-P3958 VanDerWaalsContact O-CD 3.24Å; H3956-P3958 WeakPolarHBondContact O-CD 3.18Å | ||
| 3959 | G | 46.7 | Very low | 55.1 | Low | 32 Ų | 32 | 82.8 Ų | 82.8 | 33% | 0.33 | 45% | 0.454 | S | S | . | . | trans | 146.2 | 122 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K3382 L3957 | K3382-G3959 PolarHBondContact NZ-O 3.32Å; L3957-G3959 PolarHBondContact O-N 3.34Å | ||
| 3960 | E | 38.7 | Very low | 52.2 | Low | 185 Ų | 185 | 89.5 Ų | 89.5 | 86% | 0.864 | 49% | 0.489 | S | S | * | . | trans | -60.5 | 155.4 | 168.2 | -64.6 | -167.7 | 132.4 | 0 | 0 | 111.1 | L3962 | E3960-L3962 PolarHBondContact O-N 3.17Š| ||
| 3961 | D | 39.3 | Very low | 49.2 | Very low | 81 Ų | 81 | 88.7 Ų | 88.7 | 43% | 0.433 | 51% | 0.506 | S | S | . | . | trans | -66.9 | 104.4 | 176.6 | -85.7 | -2.9 | 0 | 0 | 0 | 111.4 | R3386 R3963 | R3386-D3961 IonicContact CZ-OD1 3.85Å; R3386-D3961 IonicContact NH1-OD1 3.98Å; R3386-D3961 PolarHBondContact NH1-OD1 3.02Å; R3386-D3961 IonicContact NH2-OD1 3.75Å; R3386-D3961 PolarHBondContact NH2-OD1 2.87Å; D3961-R3963 HydrophobicContact CB-CG 3.99Å; D3961-R3963 PolarHBondContact O-N 3.27Å | ||
| 3962 | L | 41.4 | Very low | 46.4 | Very low | 107 Ų | 107 | 94.3 Ų | 94.3 | 56% | 0.56 | 53% | 0.533 | S | S | * | . | trans | -64.7 | 77.1 | 154 | -80.8 | 90 | 0 | 0 | 0 | 109.4 | E3960 T3964 | E3960-L3962 PolarHBondContact O-N 3.17Å; L3962-T3964 VanDerWaalsContact C-N 3.33Å; L3962-T3964 PolarHBondContact O-N 3.25Å | ||
| 3963 | R | 32.2 | Very low | 43.5 | Very low | 195 Ų | 195 | 97.6 Ų | 97.6 | 74% | 0.736 | 57% | 0.568 | S | S | * | * | trans | -67.6 | 88 | 171.1 | -77.9 | -166.1 | 171.6 | -170.2 | -3.6 | 110.4 | D3961 S3965 | D3961-R3963 HydrophobicContact CB-CG 3.99Å; D3961-R3963 PolarHBondContact O-N 3.27Å; R3963-S3965 PolarHBondContact O-N 3.14Å | ||
| 3964 | T | 34.2 | Very low | 40.7 | Very low | 144 Ų | 144 | 105.2 Ų | 105.2 | 88% | 0.883 | 61% | 0.608 | S | S | * | * | S | Bend | trans | 52.2 | 30.8 | 154.1 | 47.1 | 0 | 0 | 0 | 0 | 115.4 | L3962 | L3962-T3964 VanDerWaalsContact C-N 3.33Å; L3962-T3964 PolarHBondContact O-N 3.25Å |
| 3965 | S | 28 | Very low | 38.2 | Very low | 79 Ų | 79 | 106.1 Ų | 106.1 | 55% | 0.552 | 62% | 0.618 | S | S | * | * | trans | -106.2 | 32.7 | -176.6 | 54.7 | 0 | 0 | 0 | 0 | 112.9 | R3963 T3967 | R3963-S3965 PolarHBondContact O-N 3.14Å; S3965-T3967 PolarHBondContact O-N 3Å | ||
| 3966 | Y | 32.2 | Very low | 35.7 | Very low | 135 Ų | 135 | 106.5 Ų | 106.5 | 53% | 0.529 | 63% | 0.633 | S | S | . | * | trans | -65.3 | 70.2 | 155.8 | -84 | -75.1 | 0 | 0 | 0 | 109.5 | F3355 | F3355-Y3966 HydrophobicContact CB-CE2 4.28Š| ||
| 3967 | T | 24.8 | Very low | 34.1 | Very low | 98 Ų | 98 | 117.6 Ų | 117.6 | 60% | 0.601 | 67% | 0.674 | S | S | * | * | trans | -57.4 | 137.8 | 165.6 | 54.1 | 0 | 0 | 0 | 0 | 108.1 | S3965 V3969 | S3965-T3967 PolarHBondContact O-N 3Å; T3967-V3969 VanDerWaalsContact C-N 3.28Å; T3967-V3969 PolarHBondContact O-N 3.17Å | ||
| 3968 | P | 25.7 | Very low | 32.5 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | trans | -75.2 | 84.5 | -179.2 | 30.1 | -34.2 | 0 | 0 | 0 | 109.5 | L3970 | P3968-L3970 PolarHBondContact O-N 3.1Š| ||
| 3969 | V | 25.9 | Very low | 31.4 | Very low | 126 Ų | 126 | 123.7 Ų | 123.7 | 76% | 0.764 | 71% | 0.713 | S | S | * | * | trans | -71.7 | 69.7 | 175.6 | -171.8 | 0 | 0 | 0 | 0 | 110.1 | T3967 G3971 | T3967-V3969 VanDerWaalsContact C-N 3.28Å; T3967-V3969 PolarHBondContact O-N 3.17Å; V3969-G3971 PolarHBondContact O-N 3.39Å | ||
| 3970 | L | 32.3 | Very low | 30.7 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | trans | -79.8 | 102.5 | 157.3 | -73 | 176.5 | 0 | 0 | 0 | 107.4 | P3968 L3972 | P3968-L3970 PolarHBondContact O-N 3.1Å; L3970-L3972 VanDerWaalsContact C-N 3.27Å; L3970-L3972 PolarHBondContact O-N 3.42Å | ||
| 3971 | G | 25.9 | Very low | 30.1 | Very low | 79 Ų | 79 | 128.8 Ų | 128.8 | 81% | 0.814 | 74% | 0.738 | S | S | * | * | trans | -66.2 | 80.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V3969 | V3969-G3971 PolarHBondContact O-N 3.39Š| ||
| 3972 | L | 31 | Very low | 29.5 | Very low | 167 Ų | 167 | 131 Ų | 131 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | trans | -137.9 | 109 | 163.9 | -84.4 | 165.8 | 0 | 0 | 0 | 106.2 | L3970 | L3970-L3972 VanDerWaalsContact C-N 3.27Å; L3970-L3972 PolarHBondContact O-N 3.42Å | ||
| 3973 | G | 27.5 | Very low | 28.8 | Very low | 71 Ų | 71 | 130.9 Ų | 130.9 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | trans | -86.8 | 163.4 | -158.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 3974 | N | 27.8 | Very low | 28.5 | Very low | 163 Ų | 163 | 128.6 Ų | 128.6 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | trans | 62.9 | 132.7 | 156.4 | -70.1 | 21.1 | 0 | 0 | 0 | 117.8 | ||||
| 3975 | T | 32.1 | Very low | 28.1 | Very low | 132 Ų | 132 | 127 Ų | 127 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | cis | -141.5 | 150.8 | -2.9 | 49.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 3976 | G | 26.9 | Very low | 28.1 | Very low | 76 Ų | 76 | 129 Ų | 129 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | trans | -106.2 | 158.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 3977 | R | 32.1 | Very low | 27.8 | Very low | 253 Ų | 253 | 130.5 Ų | 130.5 | 96% | 0.955 | 80% | 0.796 | S | S | * | * | trans | -154.7 | 153.7 | 145.8 | -115 | 175.6 | -177.8 | -177.9 | -0.1 | 111.5 | ||||
| 3978 | V | 27.9 | Very low | 27.9 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | -68.4 | 162.4 | 177.2 | -124 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 3979 | S | 27.9 | Very low | 28.1 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 62% | 0.622 | 81% | 0.808 | S | S | * | * | cis | -166.1 | 171.6 | 27.3 | 50 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 3980 | N | 30.8 | Very low | 28 | Very low | 157 Ų | 157 | 130.5 Ų | 130.5 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | 88.5 | 153.1 | 154.2 | -67.7 | -3.8 | 0 | 0 | 0 | 120.3 | ||||
| 3981 | L | 26.2 | Very low | 28 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -110.3 | 146.3 | -164.3 | -65.4 | 142.9 | 0 | 0 | 0 | 111.6 | ||||
| 3982 | S | 26.4 | Very low | 28.2 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -165 | 163.7 | 143.7 | -82.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3983 | S | 26.5 | Very low | 28.3 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -87 | 177.5 | -164.5 | -54.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 3984 | D | 25.7 | Very low | 28.4 | Very low | 147 Ų | 147 | 129 Ų | 129 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | 83.8 | 98.3 | 154.6 | -57 | -21.4 | 0 | 0 | 0 | 120.7 | ||||
| 3985 | S | 27.4 | Very low | 28.6 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | 87.3 | 150.2 | 129.8 | 81.4 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 3986 | S | 26.8 | Very low | 28.5 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | 74.1 | 157.1 | 171.2 | 82 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 3987 | L | 26.3 | Very low | 28.6 | Very low | 166 Ų | 166 | 132.4 Ų | 132.4 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | -115.1 | 118.1 | -168.6 | -69.1 | 160.7 | 0 | 0 | 0 | 110.6 | ||||
| 3988 | S | 26.4 | Very low | 28.5 | Very low | 98 Ų | 98 | 129 Ų | 129 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | trans | 177.5 | 116.5 | 145.8 | -87.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 3989 | L | 29.6 | Very low | 28.6 | Very low | 165 Ų | 165 | 128.5 Ų | 128.5 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | -140.4 | 118.1 | 162.7 | -79.5 | 179.1 | 0 | 0 | 0 | 110.3 | ||||
| 3990 | S | 25.7 | Very low | 28.6 | Very low | 66 Ų | 66 | 130.1 Ų | 130.1 | 46% | 0.462 | 78% | 0.778 | S | S | . | * | trans | -158.8 | 74 | 168.1 | -23.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 3991 | S | 31.5 | Very low | 28.7 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | trans | -132.9 | 93.3 | 172.6 | 42.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 3992 | V | 30.6 | Very low | 28.7 | Very low | 139 Ų | 139 | 126.6 Ų | 126.6 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | trans | -134 | 94.8 | 167.7 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 3993 | H | 32.1 | Very low | 28.8 | Very low | 131 Ų | 131 | 126.3 Ų | 126.3 | 61% | 0.606 | 77% | 0.767 | S | S | * | * | trans | -153.3 | 107.1 | 162.3 | -103.1 | -44.6 | 0 | 0 | 0 | 109.6 | ||||
| 3994 | G | 29.5 | Very low | 28.9 | Very low | 59 Ų | 59 | 127.2 Ų | 127.2 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | trans | -74.5 | 153.8 | 151.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3995 | P | 33 | Very low | 29 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | trans | -76.1 | 149.2 | 179.2 | 32.1 | -34.9 | 0 | 0 | 0 | 111.8 | ||||
| 3996 | I | 29.3 | Very low | 29.1 | Very low | 155 Ų | 155 | 125.2 Ų | 125.2 | 80% | 0.795 | 77% | 0.765 | S | S | * | * | trans | -135.9 | 107.2 | 165.5 | -58.3 | 178.5 | 0 | 0 | 0 | 108.4 | ||||
| 3997 | N | 29.9 | Very low | 29.1 | Very low | 156 Ų | 156 | 124.2 Ų | 124.2 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | trans | -116.9 | 156 | 144 | -74 | -10.6 | 0 | 0 | 0 | 104.8 | ||||
| 3998 | E | 29.5 | Very low | 29.2 | Very low | 181 Ų | 181 | 123.6 Ų | 123.6 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | cis | -125.3 | 177.1 | 15 | -66.5 | 176.6 | 128 | 0 | 0 | 112.5 | ||||
| 3999 | V | 28.8 | Very low | 29.4 | Very low | 129 Ų | 129 | 124.7 Ų | 124.7 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | trans | -106.9 | 140.5 | 171.9 | 175.7 | 0 | 0 | 0 | 0 | 109.2 | T4001 | V3999-T4001 HydrophobicContact CG1-CG2 4.44Š| ||
| 4000 | S | 29.5 | Very low | 29.1 | Very low | 123 Ų | 123 | 121.5 Ų | 121.5 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | trans | -143 | 148.9 | 161.3 | -81.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 4001 | T | 31.1 | Very low | 29.3 | Very low | 120 Ų | 120 | 124.7 Ų | 124.7 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | -110.8 | 133.6 | -151.5 | 49.1 | 0 | 0 | 0 | 0 | 115.1 | V3999 | V3999-T4001 HydrophobicContact CG1-CG2 4.44Š| ||
| 4002 | V | 27.5 | Very low | 29 | Very low | 130 Ų | 130 | 126 Ų | 126 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | trans | 44.8 | 112.9 | 137.2 | -173.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 4003 | S | 28.2 | Very low | 29 | Very low | 121 Ų | 121 | 125.3 Ų | 125.3 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -157.7 | 169.8 | 135 | 24.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 4004 | V | 27.9 | Very low | 28.7 | Very low | 124 Ų | 124 | 124.7 Ų | 124.7 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | -131.6 | 166.2 | -159.8 | 179.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 4005 | T | 28.9 | Very low | 28.8 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | 83.8 | 118 | -175.3 | 70.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 4006 | A | 29.3 | Very low | 28.6 | Very low | 89 Ų | 89 | 126.5 Ų | 126.5 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | 74.2 | 127.5 | 61.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 4007 | S | 27.2 | Very low | 28.6 | Very low | 101 Ų | 101 | 125.2 Ų | 125.2 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | cis | -168.7 | 158.5 | 37.8 | -81.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 4008 | I | 28.7 | Very low | 28.6 | Very low | 153 Ų | 153 | 125.7 Ų | 125.7 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | 77.2 | 148.8 | 142.8 | -68.3 | 161 | 0 | 0 | 0 | 121.5 | ||||
| 4009 | T | 28.9 | Very low | 28.7 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | trans | 69.1 | 92.6 | 163.8 | 40.6 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 4010 | S | 24.9 | Very low | 28.7 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | 43 | 115.1 | 112.8 | 64.9 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 4011 | T | 28.1 | Very low | 29.4 | Very low | 133 Ų | 133 | 123.8 Ų | 123.8 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | trans | -146.4 | 143.6 | 134.7 | 41.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 4012 | V | 25.5 | Very low | 29.4 | Very low | 126 Ų | 126 | 123.1 Ų | 123.1 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | cis | 76.8 | 79.4 | 15.7 | -164.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 4013 | T | 30.9 | Very low | 29.8 | Very low | 125 Ų | 125 | 124.3 Ų | 124.3 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | trans | -156.8 | 110.2 | 147 | 33 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 4014 | T | 27.1 | Very low | 30 | Very low | 117 Ų | 117 | 126 Ų | 126 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | 48.1 | 97.4 | 70.1 | 68.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 4015 | A | 30.7 | Very low | 30.2 | Very low | 106 Ų | 106 | 125 Ų | 125 | 88% | 0.876 | 77% | 0.772 | S | S | * | * | trans | -109.4 | 120 | 155.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 4016 | T | 29.4 | Very low | 30.4 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -99.5 | 157.1 | -170 | 44 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 4017 | T | 29.5 | Very low | 30.6 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -38.2 | 142.6 | 161.5 | 46.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 4018 | N | 28.7 | Very low | 31.1 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | trans | -132.2 | 112.8 | 160.8 | -110.6 | 0.7 | 0 | 0 | 0 | 108.6 | ||||
| 4019 | V | 32.6 | Very low | 31.2 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | trans | -148.9 | 112 | 170 | 179.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 4020 | D | 28.2 | Very low | 31.3 | Very low | 156 Ų | 156 | 133.3 Ų | 133.3 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | -178.8 | 161.3 | 127.6 | -98.9 | -24.3 | 0 | 0 | 0 | 111.9 | |||||
| 4021 | P | 45.1 | Very low | 31.9 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | trans | -127.8 | 161.4 | -162.5 | 41.6 | -27.7 | 0 | 0 | 0 | 116.4 | ||||
| 4022 | S | 31.2 | Very low | 32 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | -162 | 106.8 | 151.2 | 62.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 4023 | I | 35 | Very low | 32.3 | Very low | 154 Ų | 154 | 132.3 Ų | 132.3 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | 46.4 | 113.6 | 116.3 | -56.9 | 158.8 | 0 | 0 | 0 | 118.6 | |||||
| 4024 | N | 32.2 | Very low | 32.3 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | -161.7 | 157.6 | 117.1 | -110.2 | -17.8 | 0 | 0 | 0 | 112.5 | |||||
| 4025 | S | 32.2 | Very low | 32.3 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | -90 | 174.9 | -175.9 | 48.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 4026 | E | 33.4 | Very low | 32.6 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | cis | -157.4 | 161.1 | 40.5 | -68.9 | -176.7 | 122.4 | 0 | 0 | 115.6 | ||||
| 4027 | H | 33.7 | Very low | 32.6 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 65% | 0.653 | 77% | 0.774 | S | S | * | * | trans | 25.1 | 126 | 149.3 | -74.7 | -86.8 | 0 | 0 | 0 | 122.7 | D4029 | H4027-D4029 IonicContact CE1-OD1 3.15Å; H4027-D4029 IonicContact CE1-OD2 3.43Å; H4027-D4029 IonicContact CG-OD2 3.82Å; H4027-D4029 IonicContact ND1-OD1 3.04Å; H4027-D4029 PolarHBondContact ND1-OD1 2.88Å; H4027-D4029 IonicContact ND1-OD2 2.8Å; H4027-D4029 PolarHBondContact ND1-OD2 2.65Å | ||
| 4028 | R | 36.3 | Very low | 32.5 | Very low | 251 Ų | 251 | 134.1 Ų | 134.1 | 95% | 0.947 | 77% | 0.771 | S | S | * | * | -150.3 | 144.4 | 104.6 | -120.3 | -177.4 | -175.6 | -154.7 | -0.2 | 113.4 | |||||
| 4029 | D | 32.7 | Very low | 32.5 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | trans | -97.3 | 158.8 | -162.6 | -56.3 | -101.9 | 0 | 0 | 0 | 114.7 | H4027 | H4027-D4029 IonicContact CE1-OD1 3.15Å; H4027-D4029 IonicContact CE1-OD2 3.43Å; H4027-D4029 IonicContact CG-OD2 3.82Å; H4027-D4029 IonicContact ND1-OD1 3.04Å; H4027-D4029 PolarHBondContact ND1-OD1 2.88Å; H4027-D4029 IonicContact ND1-OD2 2.8Å; H4027-D4029 PolarHBondContact ND1-OD2 2.65Å | ||
| 4030 | G | 29.4 | Very low | 32.3 | Very low | 78 Ų | 78 | 133 Ų | 133 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | 177.1 | 86.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 4031 | P | 37.3 | Very low | 32.3 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | trans | -106.6 | 170.9 | -159.4 | 39.3 | -36 | 0 | 0 | 0 | 116.3 | ||||
| 4032 | S | 30.2 | Very low | 31.8 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | 72.6 | 145.6 | 173.5 | 76.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 4033 | S | 32.6 | Very low | 31.9 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | cis | -140.1 | 143.6 | 22.7 | 56 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 4034 | I | 31.2 | Very low | 31.6 | Very low | 159 Ų | 159 | 132.6 Ų | 132.6 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | trans | 57.5 | 125.8 | 137.9 | -57.6 | 167.3 | 0 | 0 | 0 | 120.5 | ||||
| 4035 | S | 26.1 | Very low | 31.4 | Very low | 107 Ų | 107 | 131.1 Ų | 131.1 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | -134 | -178.9 | 145.2 | -41.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 4036 | P | 38.4 | Very low | 31.2 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | cis | -139.1 | -160.4 | -4.2 | 28.9 | -2.5 | 0 | 0 | 0 | 114.3 | ||||
| 4037 | I | 28.4 | Very low | 31 | Very low | 144 Ų | 144 | 129.9 Ų | 129.9 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | 75.7 | 132.1 | 154 | -11.7 | 179 | 0 | 0 | 0 | 122.8 | ||||
| 4038 | T | 26.9 | Very low | 30.9 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | trans | 90.8 | 143.1 | 140.9 | 10.3 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 4039 | L | 29.9 | Very low | 30.6 | Very low | 150 Ų | 150 | 124 Ų | 124 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | 66.5 | 121.7 | 165.1 | -58.5 | 169 | 0 | 0 | 0 | 116.4 | ||||
| 4040 | V | 27.9 | Very low | 30.6 | Very low | 115 Ų | 115 | 124.1 Ų | 124.1 | 70% | 0.697 | 75% | 0.754 | S | S | * | * | cis | 75.7 | 91.5 | 45 | -176.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 4041 | N | 28.6 | Very low | 30.8 | Very low | 152 Ų | 152 | 125 Ų | 125 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | -175.1 | 153 | 115.6 | -106.2 | -24.8 | 0 | 0 | 0 | 114.9 | |||||
| 4042 | V | 33.7 | Very low | 30.7 | Very low | 133 Ų | 133 | 125.4 Ų | 125.4 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | trans | -135.3 | 128.9 | 164.3 | 166.6 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 4043 | P | 34.3 | Very low | 30.8 | Very low | 109 Ų | 109 | 126.3 Ų | 126.3 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | -155.8 | 172.9 | 100.1 | 40.1 | -20.8 | 0 | 0 | 0 | 117 | |||||
| 4044 | C | 29.1 | Very low | 30.9 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 86% | 0.858 | 74% | 0.737 | S | S | * | * | trans | -97.8 | 135.7 | 164.7 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 4045 | V | 28.1 | Very low | 31.1 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 76% | 0.764 | 73% | 0.731 | S | S | * | * | trans | -145.8 | 105.7 | 165.7 | 178.5 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 4046 | L | 27.6 | Very low | 31.4 | Very low | 151 Ų | 151 | 126.5 Ų | 126.5 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | 75.5 | 112.5 | 79.4 | -80.7 | 168.5 | 0 | 0 | 0 | 115.7 | |||||
| 4047 | S | 28.6 | Very low | 31.2 | Very low | 93 Ų | 93 | 127.7 Ų | 127.7 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | trans | 84.3 | 148.7 | 136.1 | -55.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 4048 | N | 31 | Very low | 31.4 | Very low | 146 Ų | 146 | 129.9 Ų | 129.9 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | trans | 72.7 | 144.1 | 153.7 | -66.8 | 3.8 | 0 | 0 | 0 | 118.6 | ||||
| 4049 | N | 31.5 | Very low | 31.6 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 66% | 0.658 | 72% | 0.724 | S | S | * | * | cis | -167.3 | 171.4 | -24 | -141.2 | 40.7 | 0 | 0 | 0 | 109.1 | ||||
| 4050 | D | 32 | Very low | 31.8 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 69% | 0.69 | 72% | 0.723 | S | S | * | * | trans | 66.6 | 150.1 | 152.6 | -71.1 | -48.2 | 0 | 0 | 0 | 120 | ||||
| 4051 | S | 32.8 | Very low | 32.2 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | cis | -166.5 | -177.6 | -16.8 | -118.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 4052 | V | 36 | Very low | 32.4 | Very low | 124 Ų | 124 | 125.4 Ų | 125.4 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | trans | 88.2 | 100.3 | 165 | -168.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 4053 | E | 32.2 | Very low | 32.5 | Very low | 141 Ų | 141 | 124.5 Ų | 124.5 | 66% | 0.659 | 72% | 0.721 | S | S | * | * | 75.1 | 129 | 83.6 | -127.1 | -159.4 | 157.2 | 0 | 0 | 113 | K4055 | E4053-K4055 IonicContact OE1-NZ 3.02Å; E4053-K4055 PolarHBondContact OE1-NZ 3.38Å | |||
| 4054 | L | 34.9 | Very low | 32.7 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 64% | 0.639 | 72% | 0.722 | S | S | * | * | -162.5 | 136.9 | 59.1 | -78.1 | 156.2 | 0 | 0 | 0 | 114.6 | |||||
| 4055 | K | 35.2 | Very low | 33.1 | Very low | 160 Ų | 160 | 124.9 Ų | 124.9 | 70% | 0.696 | 72% | 0.718 | S | S | * | * | 44.9 | 156.2 | 129.9 | -60.3 | -179.5 | 178.4 | 89.1 | 0 | 122.8 | E4053 | E4053-K4055 IonicContact OE1-NZ 3.02Å; E4053-K4055 PolarHBondContact OE1-NZ 3.38Å | |||
| 4056 | S | 33.2 | Very low | 33.5 | Very low | 87 Ų | 87 | 126.3 Ų | 126.3 | 61% | 0.608 | 71% | 0.714 | S | S | * | * | cis | -178.8 | 133.6 | -31.3 | 56.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 4057 | N | 33.4 | Very low | 33.9 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 72% | 0.717 | 70% | 0.704 | S | S | * | * | trans | 66.3 | 155.9 | 141.6 | -55.6 | -5.8 | 0 | 0 | 0 | 124.2 | ||||
| 4058 | F | 33.2 | Very low | 34.2 | Very low | 189 Ų | 189 | 126.6 Ų | 126.6 | 83% | 0.829 | 70% | 0.704 | S | S | * | * | trans | 76.2 | 155.3 | 161.5 | -56.1 | -69.9 | 0 | 0 | 0 | 120.2 | ||||
| 4059 | S | 31.4 | Very low | 34.3 | Very low | 90 Ų | 90 | 126.5 Ų | 126.5 | 63% | 0.629 | 70% | 0.699 | S | S | * | * | -177.9 | 149.1 | -70 | 54 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 4060 | T | 34 | Very low | 34.4 | Very low | 124 Ų | 124 | 126 Ų | 126 | 76% | 0.761 | 70% | 0.697 | S | S | * | * | trans | 85.1 | 148 | 151.2 | -24.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 4061 | I | 35.4 | Very low | 34.6 | Very low | 168 Ų | 168 | 126.2 Ų | 126.2 | 86% | 0.862 | 70% | 0.697 | S | S | * | * | trans | 76.8 | 126.5 | 165.8 | -42.8 | -179.5 | 0 | 0 | 0 | 117.1 | ||||
| 4062 | G | 32 | Very low | 34.6 | Very low | 60 Ų | 60 | 128.3 Ų | 128.3 | 62% | 0.619 | 70% | 0.701 | S | S | * | * | cis | 159.1 | 161.3 | -14.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 4063 | S | 37.7 | Very low | 34.5 | Very low | 115 Ų | 115 | 127 Ų | 127 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | trans | 75.4 | 158.7 | 161.6 | 92.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 4064 | T | 37.5 | Very low | 34.4 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 72% | 0.718 | 70% | 0.701 | S | S | * | * | cis | -141.5 | 167 | 3.3 | 9.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 4065 | T | 37.3 | Very low | 34.3 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 78% | 0.779 | 71% | 0.707 | S | S | * | * | trans | 75.3 | 154.3 | 175.6 | 76.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 4066 | K | 36.9 | Very low | 34.2 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | cis | -161.3 | 159.8 | -25 | -105.4 | -173.1 | 164 | -73.3 | 0 | 106.1 | ||||
| 4067 | D | 35.7 | Very low | 34 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 59% | 0.588 | 72% | 0.716 | S | S | * | * | cis | -150.9 | 175.7 | 5.2 | -132 | -10.6 | 0 | 0 | 0 | 114.7 | ||||
| 4068 | Q | 34.9 | Very low | 33.9 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 65% | 0.65 | 71% | 0.714 | S | S | * | * | trans | -28.8 | 132.6 | 168 | -65.4 | -165.3 | -83.1 | 0 | 0 | 119.1 | ||||
| 4069 | Q | 34 | Very low | 33.9 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 67% | 0.673 | 72% | 0.72 | S | S | * | * | 80.4 | 147.3 | 69.2 | -72.7 | -177.7 | -75.2 | 0 | 0 | 114.4 | |||||
| 4070 | D | 33.5 | Very low | 34 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 61% | 0.61 | 72% | 0.724 | S | S | * | * | cis | -158.5 | 157.1 | -9.1 | -119.8 | -24.2 | 0 | 0 | 0 | 115 | ||||
| 4071 | L | 35.6 | Very low | 33.9 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | trans | 29.8 | 133.6 | 144 | -69.6 | 164.9 | 0 | 0 | 0 | 125.3 | ||||
| 4072 | N | 33.1 | Very low | 33.9 | Very low | 142 Ų | 142 | 138 Ų | 138 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | 100.4 | 123.2 | 126.4 | -82.7 | -24.5 | 0 | 0 | 0 | 125 | |||||
| 4073 | S | 33.3 | Very low | 34 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | trans | 84 | 109.2 | 134.7 | -169.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 4074 | K | 31.1 | Very low | 33.9 | Very low | 168 Ų | 168 | 138 Ų | 138 | 73% | 0.73 | 74% | 0.737 | S | S | * | * | trans | 34.4 | 121.3 | 137.7 | -57.5 | 175.9 | 179.7 | 176.5 | 0 | 119.5 | ||||
| 4075 | Y | 32.7 | Very low | 33.7 | Very low | 197 Ų | 197 | 139.5 Ų | 139.5 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | 176.8 | 171.8 | 101.3 | -98.9 | -62 | 0 | 0 | 0 | 113 | |||||
| 4076 | F | 32.2 | Very low | 33.6 | Very low | 178 Ų | 178 | 139.6 Ų | 139.6 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | trans | 12.7 | 119.5 | 168.6 | -72.9 | -95.2 | 0 | 0 | 0 | 119.5 | ||||
| 4077 | C | 29.8 | Very low | 33.5 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 72% | 0.716 | 74% | 0.74 | S | S | * | * | 90.1 | 144.2 | 58.9 | -176.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 4078 | S | 30.6 | Very low | 33.4 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | trans | 83.8 | 126.3 | 166.5 | -63.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 4079 | R | 32.6 | Very low | 33.3 | Very low | 252 Ų | 252 | 138.7 Ų | 138.7 | 95% | 0.951 | 75% | 0.754 | S | S | * | * | trans | 61.7 | 136.9 | 152.7 | -65.9 | 169.8 | 164.7 | 146.6 | -6.8 | 118 | ||||
| 4080 | G | 33.4 | Very low | 33.4 | Very low | 69 Ų | 69 | 137.6 Ų | 137.6 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | cis | 142.1 | 158.7 | -5.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 4081 | R | 32.3 | Very low | 33.5 | Very low | 251 Ų | 251 | 139.7 Ų | 139.7 | 95% | 0.947 | 76% | 0.759 | S | S | * | * | trans | 48.8 | 111.2 | 173 | -67.8 | 179.6 | 170.4 | -176.3 | -4.3 | 115.2 | ||||
| 4082 | S | 36 | Very low | 33.6 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 90% | 0.902 | 76% | 0.757 | S | S | * | * | 177.9 | 170.4 | 66.9 | 43.7 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 4083 | G | 33.8 | Very low | 33.7 | Very low | 76 Ų | 76 | 141.3 Ų | 141.3 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | cis | -150.8 | -167.7 | 10.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 4084 | S | 36.2 | Very low | 33.9 | Very low | 99 Ų | 99 | 149.4 Ų | 149.4 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -94.5 | 147.7 | -168.1 | 53.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 4085 | N | 33.1 | Very low | 34.1 | Very low | 148 Ų | 148 | 148.5 Ų | 148.5 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | 53 | 129.5 | 146 | -47 | -9.5 | 0 | 0 | 0 | 117.3 | ||||
| 4086 | V | 35.7 | Very low | 34.1 | Very low | 128 Ų | 128 | 145.9 Ų | 145.9 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | 177.1 | 142.1 | 83 | 153 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 4087 | S | 34.6 | Very low | 34.3 | Very low | 95 Ų | 95 | 144.2 Ų | 144.2 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | trans | 23.1 | 135.6 | 163.8 | 70 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 4088 | S | 32.6 | Very low | 34.5 | Very low | 102 Ų | 102 | 146.4 Ų | 146.4 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | 36.9 | 121.1 | 130.5 | -43.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 4089 | F | 33.5 | Very low | 34.8 | Very low | 189 Ų | 189 | 149.6 Ų | 149.6 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | -162.9 | 162 | 79.1 | -114.8 | -91.8 | 0 | 0 | 0 | 113.9 | |||||
| 4090 | D | 35.4 | Very low | 34.9 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 65% | 0.647 | 79% | 0.793 | S | S | * | * | trans | -9.9 | 149 | 172.1 | -67.1 | -36.1 | 0 | 0 | 0 | 124.5 | ||||
| 4091 | H | 36.3 | Very low | 35 | Very low | 159 Ų | 159 | 148 Ų | 148 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | 100.8 | 119.9 | 128.7 | -91.1 | 15.4 | 0 | 0 | 0 | 123.4 | |||||
| 4092 | I | 37.2 | Very low | 35.2 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 65% | 0.651 | 79% | 0.788 | S | S | * | * | trans | 85.5 | 112.1 | 132.2 | -68 | 170.6 | 0 | 0 | 0 | 119.7 | ||||
| 4093 | M | 35.2 | Very low | 35.2 | Very low | 180 Ų | 180 | 141 Ų | 141 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | trans | 57.8 | 137.9 | 156 | -66.8 | -178.9 | -172.1 | 0 | 0 | 118.2 | ||||
| 4094 | K | 38.3 | Very low | 35.3 | Very low | 268 Ų | 268 | 146.9 Ų | 146.9 | 100% | 1.165 | 78% | 0.777 | S | S | * | * | cis | -148.2 | 0 | 22.2 | -164.7 | 177.4 | -177.6 | 179.7 | 0 | 112 |
Retrieved 4,094 of 4,094 residues in 1444.1 ms
(Link to these results)