| 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 | 63.8 | Low | 74 | Confident | 111 Ų | 111 | 90.1 Ų | 90.1 | 55% | 0.547 | 46% | 0.464 | S | S | . | . | 0 | -58 | 0 | -180 | -94.7 | -81.1 | 0 | 0 | 111.6 | D3 S4 L5 E64 | M1-D3 VanDerWaalsContact C-N 3.25Å; M1-D3 PolarHBondContact O-N 3.34Å; M1-S4 PolarHBondContact O-N 3.05Å; M1-S4 VanDerWaalsContact O-N 3.08Å; M1-L5 PolarHBondContact O-N 2.92Å; M1-E64 WeakPolarHBondContact CB-OE1 3.39Å; M1-E64 VanDerWaalsContact CE-OE2 3.26Å; M1-E64 WeakPolarHBondContact CE-OE2 3.35Å | |||
| 2 | A | 67.4 | Low | 74.3 | Confident | 59 Ų | 59 | 88.7 Ų | 88.7 | 49% | 0.488 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -54.8 | -35.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | L5 R6 | A2-L5 PolarHBondContact O-N 3.09Å; A2-R6 WeakPolarHBondContact O-CB 3.29Å; A2-R6 PolarHBondContact O-N 2.88Å |
| 3 | D | 71.8 | Confident | 74.7 | Confident | 93 Ų | 93 | 84 Ų | 84 | 50% | 0.497 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -73.6 | -26.2 | 178.5 | -60.9 | -48.2 | 0 | 0 | 0 | 114.4 | M1 R6 R7 | M1-D3 VanDerWaalsContact C-N 3.25Å; M1-D3 PolarHBondContact O-N 3.34Å; D3-R6 IonicContact OD1-CZ 2.67Å; D3-R6 IonicContact OD1-NH1 3.48Å; D3-R6 PolarHBondContact OD1-NH1 2.95Å; D3-R7 VanDerWaalsContact O-CB 3.31Å; D3-R7 WeakPolarHBondContact O-CB 3.4Å; D3-R7 WeakPolarHBondContact O-CG 3.24Å; D3-R7 PolarHBondContact O-N 3.16Å; D3-R7 PolarHBondContact O-NE 3.2Å |
| 4 | S | 72.7 | Confident | 75.1 | Confident | 30 Ų | 30 | 85.3 Ų | 85.3 | 21% | 0.21 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -76.7 | -38.4 | 174 | -63.9 | 0 | 0 | 0 | 0 | 111 | M1 R7 L8 | M1-S4 PolarHBondContact O-N 3.05Å; M1-S4 VanDerWaalsContact O-N 3.08Å; S4-R7 PolarHBondContact O-N 3.36Å; S4-R7 PolarHBondContact OG-NH2 3.33Å; S4-R7 VanDerWaalsContact OG-NH2 3.1Å; S4-L8 PolarHBondContact O-N 3.48Å |
| 5 | L | 75.3 | Confident | 75.7 | Confident | 88 Ų | 88 | 83.1 Ų | 83.1 | 46% | 0.461 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.7 | -42.3 | 173.8 | -166.8 | 137.6 | 0 | 0 | 0 | 111.3 | M1 A2 R7 L8 V9 I57 | M1-L5 PolarHBondContact O-N 2.92Å; A2-L5 PolarHBondContact O-N 3.09Å; L5-R7 PolarHBondContact O-N 2.81Å; L5-L8 PolarHBondContact O-N 3.02Å; L5-V9 HydrophobicContact CD2-CG2 4.38Å; L5-V9 WeakPolarHBondContact O-CG2 3.34Å; L5-V9 PolarHBondContact O-N 2.84Å; L5-I57 HydrophobicContact CB-CD1 4.44Å |
| 6 | R | 78.3 | Confident | 76.4 | Confident | 144 Ų | 144 | 81.4 Ų | 81.4 | 54% | 0.543 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 172.8 | -175.2 | -176.2 | -70.5 | 156.7 | -11.8 | 112 | A2 D3 V9 N10 | A2-R6 WeakPolarHBondContact O-CB 3.29Å; A2-R6 PolarHBondContact O-N 2.88Å; D3-R6 IonicContact OD1-CZ 2.67Å; D3-R6 IonicContact OD1-NH1 3.48Å; D3-R6 PolarHBondContact OD1-NH1 2.95Å; R6-V9 PolarHBondContact O-N 3.35Å; R6-N10 VanDerWaalsContact O-CB 3.3Å; R6-N10 WeakPolarHBondContact O-CB 3.33Å; R6-N10 PolarHBondContact O-N 2.9Å; R6-N10 PolarHBondContact O-ND2 2.65Å |
| 7 | R | 77.8 | Confident | 77.1 | Confident | 162 Ų | 162 | 78.5 Ų | 78.5 | 61% | 0.611 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62.6 | -43.6 | 173.6 | -81.7 | -177.1 | -65.6 | 167.1 | 0.8 | 112 | D3 S4 L5 V9 N10 T11 | D3-R7 VanDerWaalsContact O-CB 3.31Å; D3-R7 WeakPolarHBondContact O-CB 3.4Å; D3-R7 WeakPolarHBondContact O-CG 3.24Å; D3-R7 PolarHBondContact O-N 3.16Å; D3-R7 PolarHBondContact O-NE 3.2Å; S4-R7 PolarHBondContact O-N 3.36Å; S4-R7 PolarHBondContact OG-NH2 3.33Å; S4-R7 VanDerWaalsContact OG-NH2 3.1Å; L5-R7 PolarHBondContact O-N 2.81Å; R7-V9 PolarHBondContact O-N 3.4Å; R7-N10 PolarHBondContact O-N 3.39Å; R7-T11 WeakPolarHBondContact O-CB 3.3Å; R7-T11 PolarHBondContact O-N 2.89Å; R7-T11 PolarHBondContact O-OG1 2.82Å |
| 8 | L | 77.8 | Confident | 77.6 | Confident | 14 Ų | 14 | 80.6 Ų | 80.6 | 7% | 0.073 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 178.4 | -176 | 62.7 | 0 | 0 | 0 | 112.2 | S4 L5 F14 Q53 L54 I57 | S4-L8 PolarHBondContact O-N 3.48Å; L5-L8 PolarHBondContact O-N 3.02Å; L8-F14 HydrophobicContact CD1-CE2 4.17Å; L8-F14 HydrophobicContact CD2-CE2 4.47Å; L8-F14 HydrophobicContact CG-CE2 4.13Å; L8-Q53 HydrophobicContact CD1-CB 3.96Å; L8-L54 HydrophobicContact CD2-CD2 3.58Å; L8-L54 HydrophobicContact CD2-CG 4.12Å; L8-I57 HydrophobicContact CB-CD1 4.38Å; L8-I57 HydrophobicContact CD2-CD1 3.75Å |
| 9 | V | 78 | Confident | 78.3 | Confident | 105 Ų | 105 | 81.4 Ų | 81.4 | 64% | 0.636 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -68.5 | -38.7 | 176.9 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | L5 R6 R7 T11 | L5-V9 HydrophobicContact CD2-CG2 4.38Å; L5-V9 WeakPolarHBondContact O-CG2 3.34Å; L5-V9 PolarHBondContact O-N 2.84Å; R6-V9 PolarHBondContact O-N 3.35Å; R7-V9 PolarHBondContact O-N 3.4Å; V9-T11 VanDerWaalsContact C-N 3.34Å |
| 10 | N | 76.9 | Confident | 78.9 | Confident | 123 Ų | 123 | 81.5 Ų | 81.5 | 66% | 0.658 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -80 | -17.8 | -179.7 | -68.1 | -10.2 | 0 | 0 | 0 | 113.3 | R6 R7 S12 | R6-N10 VanDerWaalsContact O-CB 3.3Å; R6-N10 WeakPolarHBondContact O-CB 3.33Å; R6-N10 PolarHBondContact O-N 2.9Å; R6-N10 PolarHBondContact O-ND2 2.65Å; R7-N10 PolarHBondContact O-N 3.39Å; N10-S12 PolarHBondContact O-N 3.34Å |
| 11 | T | 74.1 | Confident | 79.4 | Confident | 62 Ų | 62 | 82 Ų | 82 | 38% | 0.38 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -80.7 | 111.2 | 172.1 | -48.9 | 0 | 0 | 0 | 0 | 106.3 | R7 V9 S13 | R7-T11 WeakPolarHBondContact O-CB 3.3Å; R7-T11 PolarHBondContact O-N 2.89Å; R7-T11 PolarHBondContact O-OG1 2.82Å; V9-T11 VanDerWaalsContact C-N 3.34Å; T11-S13 WeakPolarHBondContact CG2-OG 3.43Å; T11-S13 PolarHBondContact O-N 3.15Å |
| 12 | S | 77.2 | Confident | 80.7 | Confident | 73 Ų | 73 | 80.6 Ų | 80.6 | 51% | 0.51 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 21.7 | -180 | 49.2 | 0 | 0 | 0 | 0 | 114.7 | N10 F14 S15 V16 | N10-S12 PolarHBondContact O-N 3.34Å; S12-F14 VanDerWaalsContact C-N 3.27Å; S12-F14 PolarHBondContact O-N 3.5Å; S12-S15 WeakPolarHBondContact CB-OG 3.48Å; S12-S15 PolarHBondContact O-N 2.82Å; S12-S15 VanDerWaalsContact O-N 3.14Å; S12-S15 PolarHBondContact O-OG 2.85Å; S12-V16 VanDerWaalsContact O-CG2 3.32Å; S12-V16 WeakPolarHBondContact O-CG2 3.22Å; S12-V16 PolarHBondContact O-N 2.93Å |
| 13 | S | 79.9 | Confident | 81.8 | Confident | 28 Ų | 28 | 80.4 Ų | 80.4 | 20% | 0.196 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -57.9 | -35.7 | -178.2 | -58.2 | 0 | 0 | 0 | 0 | 113.1 | T11 L17 | T11-S13 WeakPolarHBondContact CG2-OG 3.43Å; T11-S13 PolarHBondContact O-N 3.15Å; S13-L17 PolarHBondContact O-N 2.65Å |
| 14 | F | 80.8 | Confident | 82.8 | Confident | 102 Ų | 102 | 78.5 Ų | 78.5 | 45% | 0.447 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -71.8 | -38.9 | 176.4 | -71.9 | -79.4 | 0 | 0 | 0 | 112.7 | L8 S12 L17 Q18 I50 | L8-F14 HydrophobicContact CD1-CE2 4.17Å; L8-F14 HydrophobicContact CD2-CE2 4.47Å; L8-F14 HydrophobicContact CG-CE2 4.13Å; S12-F14 VanDerWaalsContact C-N 3.27Å; S12-F14 PolarHBondContact O-N 3.5Å; F14-L17 PolarHBondContact O-N 2.73Å; F14-Q18 PolarHBondContact O-N 3.13Å; F14-I50 HydrophobicContact CD1-CD1 4.29Å; F14-I50 HydrophobicContact CD1-CG2 4.37Å; F14-I50 HydrophobicContact CE1-CD1 4.38Å; F14-I50 HydrophobicContact CE1-CG2 3.46Å; F14-I50 VanDerWaalsContact CE1-CG2 3.46Å; F14-I50 HydrophobicContact CE2-CG2 4.13Å; F14-I50 HydrophobicContact CZ-CG2 3.31Å |
| 15 | S | 83.9 | Confident | 83.6 | Confident | 53 Ų | 53 | 86.1 Ų | 86.1 | 37% | 0.371 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69 | -39.5 | 175.5 | 65.9 | 0 | 0 | 0 | 0 | 110.7 | S12 L17 Q18 D19 | S12-S15 WeakPolarHBondContact CB-OG 3.48Å; S12-S15 PolarHBondContact O-N 2.82Å; S12-S15 VanDerWaalsContact O-N 3.14Å; S12-S15 PolarHBondContact O-OG 2.85Å; S15-L17 VanDerWaalsContact C-N 3.34Å; S15-L17 PolarHBondContact O-N 2.69Å; S15-Q18 PolarHBondContact O-N 2.95Å; S15-D19 WeakPolarHBondContact O-CB 3.36Å; S15-D19 PolarHBondContact O-N 3.12Å |
| 16 | V | 86.4 | Confident | 84.3 | Confident | 55 Ų | 55 | 89.2 Ų | 89.2 | 33% | 0.333 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.8 | -38.6 | 174.5 | 173.6 | 0 | 0 | 0 | 0 | 112 | S12 K20 L46 | S12-V16 VanDerWaalsContact O-CG2 3.32Å; S12-V16 WeakPolarHBondContact O-CG2 3.22Å; S12-V16 PolarHBondContact O-N 2.93Å; V16-K20 WeakPolarHBondContact O-CB 3.23Å; V16-K20 WeakPolarHBondContact O-CG 3.25Å; V16-K20 PolarHBondContact O-N 3.49Å; V16-L46 HydrophobicContact CG1-CD1 4.17Å |
| 17 | L | 87.8 | Confident | 84.9 | Confident | 32 Ų | 32 | 85 Ų | 85 | 17% | 0.168 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.9 | -48.3 | 173.6 | -175.5 | 60.7 | 0 | 0 | 0 | 110.8 | S13 F14 S15 K20 L21 L43 L46 I50 | S13-L17 PolarHBondContact O-N 2.65Å; F14-L17 PolarHBondContact O-N 2.73Å; S15-L17 VanDerWaalsContact C-N 3.34Å; S15-L17 PolarHBondContact O-N 2.69Å; L17-K20 PolarHBondContact O-N 2.9Å; L17-L21 WeakPolarHBondContact O-CB 3.33Å; L17-L21 PolarHBondContact O-N 3.18Å; L17-L43 HydrophobicContact CD1-CD2 3.65Å; L17-L46 HydrophobicContact CB-CD2 3.37Å; L17-L46 HydrophobicContact CD1-CB 4.37Å; L17-L46 HydrophobicContact CD1-CD2 3.53Å; L17-L46 HydrophobicContact CD2-CD2 4.5Å; L17-L46 HydrophobicContact CG-CD2 3.94Å; L17-I50 HydrophobicContact CB-CD1 4.45Å; L17-I50 HydrophobicContact CD2-CD1 4.11Å |
| 18 | Q | 87.7 | Confident | 85.3 | Confident | 117 Ų | 117 | 82.5 Ų | 82.5 | 55% | 0.547 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 179.9 | -177 | 174.1 | -8.4 | 0 | 0 | 111.4 | F14 S15 K20 L21 E22 | F14-Q18 PolarHBondContact O-N 3.13Å; S15-Q18 PolarHBondContact O-N 2.95Å; Q18-K20 VanDerWaalsContact C-N 3.32Å; Q18-K20 PolarHBondContact O-N 3.4Å; Q18-L21 PolarHBondContact O-N 2.88Å; Q18-L21 VanDerWaalsContact O-N 3.11Å; Q18-E22 HydrophobicContact CG-CG 4.43Å; Q18-E22 WeakPolarHBondContact CG-OE1 3.48Å; Q18-E22 PolarHBondContact NE2-OE1 2.84Å; Q18-E22 WeakPolarHBondContact O-CG 3.43Å; Q18-E22 PolarHBondContact O-N 3.37Å |
| 19 | D | 90.1 | Very high | 85.7 | Confident | 96 Ų | 96 | 90.1 Ų | 90.1 | 51% | 0.513 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 179.1 | -67.2 | -24.7 | 0 | 0 | 0 | 111.6 | S15 S23 | S15-D19 WeakPolarHBondContact O-CB 3.36Å; S15-D19 PolarHBondContact O-N 3.12Å; D19-S23 VanDerWaalsContact O-CB 3.24Å; D19-S23 WeakPolarHBondContact O-CB 3.41Å; D19-S23 PolarHBondContact O-N 3.47Å |
| 20 | K | 89.7 | Confident | 86.1 | Confident | 83 Ų | 83 | 91 Ų | 91 | 36% | 0.361 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.9 | -37.2 | 176 | -79.6 | -164.7 | 167 | -156.9 | 0 | 112.4 | V16 L17 Q18 W24 E42 L43 | V16-K20 WeakPolarHBondContact O-CB 3.23Å; V16-K20 WeakPolarHBondContact O-CG 3.25Å; V16-K20 PolarHBondContact O-N 3.49Å; L17-K20 PolarHBondContact O-N 2.9Å; Q18-K20 VanDerWaalsContact C-N 3.32Å; Q18-K20 PolarHBondContact O-N 3.4Å; K20-W24 VanDerWaalsContact O-CB 3.31Å; K20-W24 WeakPolarHBondContact O-CB 3.31Å; K20-W24 PolarHBondContact O-N 3.32Å; K20-E42 IonicContact NZ-OE2 2.8Å; K20-E42 PolarHBondContact NZ-OE2 3.38Å; K20-L43 HydrophobicContact CB-CD2 3.77Å |
| 21 | L | 89.9 | Confident | 86.6 | Confident | 91 Ų | 91 | 86.6 Ų | 86.6 | 48% | 0.476 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -71.8 | -39.6 | 179.6 | -158.8 | 135.8 | 0 | 0 | 0 | 111.3 | L17 Q18 W24 Y25 L43 | L17-L21 WeakPolarHBondContact O-CB 3.33Å; L17-L21 PolarHBondContact O-N 3.18Å; Q18-L21 PolarHBondContact O-N 2.88Å; Q18-L21 VanDerWaalsContact O-N 3.11Å; L21-W24 PolarHBondContact O-N 2.88Å; L21-Y25 WeakPolarHBondContact O-CB 3.23Å; L21-Y25 PolarHBondContact O-N 3.5Å; L21-L43 HydrophobicContact CB-CD2 4.39Å; L21-L43 HydrophobicContact CD1-CD1 4.35Å; L21-L43 HydrophobicContact CG-CD1 4.49Å |
| 22 | E | 91.1 | Very high | 87.3 | Confident | 83 Ų | 83 | 86.4 Ų | 86.4 | 39% | 0.388 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 172.9 | -73 | -177.8 | -163.4 | 0 | 0 | 112.2 | Q18 Y25 K26 | Q18-E22 HydrophobicContact CG-CG 4.43Å; Q18-E22 WeakPolarHBondContact CG-OE1 3.48Å; Q18-E22 PolarHBondContact NE2-OE1 2.84Å; Q18-E22 WeakPolarHBondContact O-CG 3.43Å; Q18-E22 PolarHBondContact O-N 3.37Å; E22-Y25 PolarHBondContact O-N 2.85Å; E22-K26 WeakPolarHBondContact O-CG 3.47Å; E22-K26 PolarHBondContact O-N 3.47Å; E22-K26 VanDerWaalsContact O-N 3.09Å |
| 23 | S | 90.3 | Very high | 87.8 | Confident | 55 Ų | 55 | 87.6 Ų | 87.6 | 39% | 0.385 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 173 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | D19 K26 D27 | D19-S23 VanDerWaalsContact O-CB 3.24Å; D19-S23 WeakPolarHBondContact O-CB 3.41Å; D19-S23 PolarHBondContact O-N 3.47Å; S23-K26 PolarHBondContact O-N 3.23Å; S23-D27 PolarHBondContact O-N 3.21Å; S23-D27 VanDerWaalsContact O-N 3.11Å |
| 24 | W | 92.3 | Very high | 88.2 | Confident | 52 Ų | 52 | 91.2 Ų | 91.2 | 20% | 0.197 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 176.2 | -174.7 | 32.5 | 0 | 0 | 0 | 112.3 | K20 L21 K26 D27 Y28 N36 R39 C40 L43 | K20-W24 VanDerWaalsContact O-CB 3.31Å; K20-W24 WeakPolarHBondContact O-CB 3.31Å; K20-W24 PolarHBondContact O-N 3.32Å; L21-W24 PolarHBondContact O-N 2.88Å; W24-K26 PolarHBondContact O-N 3.41Å; W24-D27 PolarHBondContact O-N 2.82Å; W24-Y28 AromaticContact CE2-CD2 3.92Å; W24-Y28 HydrophobicContact CZ2-CD2 4.1Å; W24-Y28 HydrophobicContact CZ2-CE2 4.01Å; W24-Y28 AromaticContact NE1-CD2 3.7Å; W24-Y28 WeakPolarHBondContact O-CA 3.5Å; W24-Y28 VanDerWaalsContact O-CB 3.32Å; W24-Y28 WeakPolarHBondContact O-CB 3.47Å; W24-Y28 PolarHBondContact O-N 2.88Å; W24-N36 WeakPolarHBondContact CZ2-O 3.46Å; W24-N36 PolarHBondContact NE1-OD1 3.34Å; W24-R39 HydrophobicContact CD2-CB 4.43Å; W24-R39 HydrophobicContact CG-CB 4.14Å; W24-C40 HydrophobicContact CH2-CB 3.68Å; W24-C40 HydrophobicContact CZ2-CB 3.92Å; W24-C40 HydrophobicContact CZ3-CB 4.41Å; W24-L43 HydrophobicContact CD2-CD1 4.06Å; W24-L43 HydrophobicContact CE3-CD1 3.27Å; W24-L43 HydrophobicContact CZ3-CD1 3.73Å |
| 25 | Y | 90.2 | Very high | 88.5 | Confident | 190 Ų | 190 | 91.2 Ų | 91.2 | 75% | 0.745 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -60.4 | -42.9 | 176.4 | 179.7 | -103.1 | 0 | 0 | 0 | 112.6 | L21 E22 D27 | L21-Y25 WeakPolarHBondContact O-CB 3.23Å; L21-Y25 PolarHBondContact O-N 3.5Å; E22-Y25 PolarHBondContact O-N 2.85Å; Y25-D27 VanDerWaalsContact C-N 3.34Å; Y25-D27 PolarHBondContact O-N 3.33Å |
| 26 | K | 91.1 | Very high | 88.8 | Confident | 154 Ų | 154 | 89.6 Ų | 89.6 | 67% | 0.67 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.5 | -39.4 | 177.5 | -73.5 | 171.4 | -176 | 169.3 | 0 | 112.5 | E22 S23 W24 | E22-K26 WeakPolarHBondContact O-CG 3.47Å; E22-K26 PolarHBondContact O-N 3.47Å; E22-K26 VanDerWaalsContact O-N 3.09Å; S23-K26 PolarHBondContact O-N 3.23Å; W24-K26 PolarHBondContact O-N 3.41Å |
| 27 | D | 89.8 | Confident | 88.9 | Confident | 56 Ų | 56 | 91.6 Ų | 91.6 | 30% | 0.299 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -92.7 | -7 | -175.7 | -66.2 | -13.1 | 0 | 0 | 0 | 113.8 | S23 W24 Y25 H29 V30 I31 R39 | S23-D27 PolarHBondContact O-N 3.21Å; S23-D27 VanDerWaalsContact O-N 3.11Å; W24-D27 PolarHBondContact O-N 2.82Å; Y25-D27 VanDerWaalsContact C-N 3.34Å; Y25-D27 PolarHBondContact O-N 3.33Å; D27-H29 VanDerWaalsContact C-N 3.3Å; D27-H29 PolarHBondContact O-N 3.21Å; D27-H29 VanDerWaalsContact O-N 3.17Å; D27-V30 WeakPolarHBondContact O-CA 3.35Å; D27-V30 WeakPolarHBondContact O-CB 3.46Å; D27-V30 PolarHBondContact O-N 2.88Å; D27-I31 HydrophobicContact CB-CD1 4.49Å; D27-I31 HydrophobicContact CB-CG2 4.16Å; D27-I31 PolarHBondContact O-N 3.41Å; D27-I31 VanDerWaalsContact O-N 3.08Å; D27-R39 VanDerWaalsContact CB-NH1 3.33Å; D27-R39 IonicContact OD2-CZ 2.52Å; D27-R39 IonicContact OD2-NH1 2.84Å; D27-R39 PolarHBondContact OD2-NH1 3.14Å; D27-R39 IonicContact OD2-NH2 3.69Å; D27-R39 PolarHBondContact OD2-NH2 2.97Å |
| 28 | Y | 87.3 | Confident | 88.9 | Confident | 109 Ų | 109 | 94 Ų | 94 | 43% | 0.427 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -44.2 | -165.7 | -179.1 | -97.8 | 0 | 0 | 0 | 113.3 | W24 V30 N36 | W24-Y28 AromaticContact CE2-CD2 3.92Å; W24-Y28 HydrophobicContact CZ2-CD2 4.1Å; W24-Y28 HydrophobicContact CZ2-CE2 4.01Å; W24-Y28 AromaticContact NE1-CD2 3.7Å; W24-Y28 WeakPolarHBondContact O-CA 3.5Å; W24-Y28 VanDerWaalsContact O-CB 3.32Å; W24-Y28 WeakPolarHBondContact O-CB 3.47Å; W24-Y28 PolarHBondContact O-N 2.88Å; Y28-V30 VanDerWaalsContact C-N 3.32Å; Y28-N36 WeakPolarHBondContact CD2-OD1 3.33Å; Y28-N36 HydrophobicContact CE2-CB 4.48Å; Y28-N36 PolarHBondContact O-ND2 3.4Å |
| 29 | H | 84.3 | Confident | 89 | Confident | 174 Ų | 174 | 91.9 Ų | 91.9 | 81% | 0.806 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -8.8 | -179.7 | -65.5 | -62.4 | 0 | 0 | 0 | 113.7 | D27 | D27-H29 VanDerWaalsContact C-N 3.3Å; D27-H29 PolarHBondContact O-N 3.21Å; D27-H29 VanDerWaalsContact O-N 3.17Å |
| 30 | V | 87.4 | Confident | 88.9 | Confident | 123 Ų | 123 | 89.5 Ų | 89.5 | 75% | 0.745 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -29.5 | -177.5 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | D27 Y28 | D27-V30 WeakPolarHBondContact O-CA 3.35Å; D27-V30 WeakPolarHBondContact O-CB 3.46Å; D27-V30 PolarHBondContact O-N 2.88Å; Y28-V30 VanDerWaalsContact C-N 3.32Å |
| 31 | I | 87.8 | Confident | 88.8 | Confident | 31 Ų | 31 | 88.9 Ų | 88.9 | 16% | 0.159 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -97.5 | 159.8 | -175.7 | 68.8 | -177.2 | 0 | 0 | 0 | 113.2 | D27 Q35 N36 | D27-I31 HydrophobicContact CB-CD1 4.49Å; D27-I31 HydrophobicContact CB-CG2 4.16Å; D27-I31 PolarHBondContact O-N 3.41Å; D27-I31 VanDerWaalsContact O-N 3.08Å; I31-Q35 HydrophobicContact CB-CB 4.08Å; I31-Q35 HydrophobicContact CD1-CB 4.23Å; I31-Q35 HydrophobicContact CG1-CB 4.29Å; I31-N36 VanDerWaalsContact CD1-OD1 3.23Å; I31-N36 WeakPolarHBondContact CD1-OD1 3.41Å; I31-N36 WeakPolarHBondContact CG1-OD1 3.48Å; I31-N36 PolarHBondContact O-ND2 3.49Å |
| 32 | S | 88.5 | Confident | 88.8 | Confident | 58 Ų | 58 | 88.8 Ų | 88.8 | 41% | 0.406 | 45% | 0.45 | S | S | . | . | trans | -69.4 | 161.4 | -177.3 | 78.4 | 0 | 0 | 0 | 0 | 112.7 | D34 Q35 N36 | S32-D34 VanDerWaalsContact C-N 3.26Å; S32-D34 PolarHBondContact O-N 2.97Å; S32-Q35 VanDerWaalsContact N-OE1 3.11Å; S32-Q35 PolarHBondContact O-N 3.48Å; S32-Q35 VanDerWaalsContact O-N 3.17Å; S32-Q35 WeakPolarHBondContact OG-CG 3.48Å; S32-Q35 PolarHBondContact OG-N 3.23Å; S32-N36 WeakPolarHBondContact O-CB 3.44Å; S32-N36 PolarHBondContact O-N 3.27Å; S32-N36 PolarHBondContact O-ND2 2.93Å | ||
| 33 | C | 87.7 | Confident | 88.7 | Confident | 98 Ų | 98 | 85.5 Ų | 85.5 | 66% | 0.662 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -56.7 | -40.7 | 176 | -176.9 | 0 | 0 | 0 | 0 | 112.2 | N36 L37 | C33-N36 WeakPolarHBondContact O-CB 3.43Å; C33-N36 PolarHBondContact O-N 3.48Å; C33-L37 WeakPolarHBondContact O-CB 3.42Å; C33-L37 WeakPolarHBondContact O-CG 3.46Å; C33-L37 PolarHBondContact O-N 2.99Å |
| 34 | D | 87.4 | Confident | 88.6 | Confident | 104 Ų | 104 | 87.3 Ų | 87.3 | 56% | 0.556 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -66.5 | -39.9 | 177.3 | -171.8 | 64.3 | 0 | 0 | 0 | 112.2 | S32 L37 N38 | S32-D34 VanDerWaalsContact C-N 3.26Å; S32-D34 PolarHBondContact O-N 2.97Å; D34-L37 PolarHBondContact O-N 2.92Å; D34-N38 WeakPolarHBondContact O-CB 3.48Å; D34-N38 PolarHBondContact O-N 2.65Å; D34-N38 PolarHBondContact O-ND2 3.29Å; D34-N38 PolarHBondContact OD2-ND2 2.99Å |
| 35 | Q | 87.9 | Confident | 88.4 | Confident | 101 Ų | 101 | 90.2 Ų | 90.2 | 47% | 0.472 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.2 | -38.3 | 174.2 | -71.8 | 172.1 | -26 | 0 | 0 | 112.1 | I31 S32 N38 R39 | I31-Q35 HydrophobicContact CB-CB 4.08Å; I31-Q35 HydrophobicContact CD1-CB 4.23Å; I31-Q35 HydrophobicContact CG1-CB 4.29Å; S32-Q35 VanDerWaalsContact N-OE1 3.11Å; S32-Q35 PolarHBondContact O-N 3.48Å; S32-Q35 VanDerWaalsContact O-N 3.17Å; S32-Q35 WeakPolarHBondContact OG-CG 3.48Å; S32-Q35 PolarHBondContact OG-N 3.23Å; Q35-N38 PolarHBondContact O-N 2.91Å; Q35-R39 WeakPolarHBondContact O-CG 3.47Å; Q35-R39 PolarHBondContact O-N 3.1Å |
| 36 | N | 89.5 | Confident | 88.2 | Confident | 19 Ų | 19 | 82.9 Ų | 82.9 | 10% | 0.102 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 172.7 | -84.5 | -43.3 | 0 | 0 | 0 | 111.6 | W24 Y28 I31 S32 C33 R39 C40 | W24-N36 WeakPolarHBondContact CZ2-O 3.46Å; W24-N36 PolarHBondContact NE1-OD1 3.34Å; Y28-N36 WeakPolarHBondContact CD2-OD1 3.33Å; Y28-N36 HydrophobicContact CE2-CB 4.48Å; Y28-N36 PolarHBondContact O-ND2 3.4Å; I31-N36 VanDerWaalsContact CD1-OD1 3.23Å; I31-N36 WeakPolarHBondContact CD1-OD1 3.41Å; I31-N36 WeakPolarHBondContact CG1-OD1 3.48Å; I31-N36 PolarHBondContact O-ND2 3.49Å; S32-N36 WeakPolarHBondContact O-CB 3.44Å; S32-N36 PolarHBondContact O-N 3.27Å; S32-N36 PolarHBondContact O-ND2 2.93Å; C33-N36 WeakPolarHBondContact O-CB 3.43Å; C33-N36 PolarHBondContact O-N 3.48Å; N36-R39 PolarHBondContact O-N 3.47Å; N36-C40 WeakPolarHBondContact O-CB 3.12Å; N36-C40 PolarHBondContact O-N 2.74Å |
| 37 | L | 88.2 | Confident | 88 | Confident | 97 Ų | 97 | 77.8 Ų | 77.8 | 51% | 0.508 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 175.6 | -78.9 | 167.1 | 0 | 0 | 0 | 111.5 | C33 D34 R39 C40 C41 | C33-L37 WeakPolarHBondContact O-CB 3.42Å; C33-L37 WeakPolarHBondContact O-CG 3.46Å; C33-L37 PolarHBondContact O-N 2.99Å; D34-L37 PolarHBondContact O-N 2.92Å; L37-R39 PolarHBondContact O-N 3.37Å; L37-C40 WeakPolarHBondContact O-CB 3.45Å; L37-C40 PolarHBondContact O-N 3.32Å; L37-C41 PolarHBondContact O-N 3.34Å; L37-C41 PolarHBondContact O-SG 2.88Å; L37-C41 VanDerWaalsContact O-SG 3.34Å |
| 38 | N | 89.4 | Confident | 87.8 | Confident | 83 Ų | 83 | 78 Ų | 78 | 44% | 0.444 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 177 | -77.2 | -37.5 | 0 | 0 | 0 | 112.1 | D34 Q35 C40 C41 E42 | D34-N38 WeakPolarHBondContact O-CB 3.48Å; D34-N38 PolarHBondContact O-N 2.65Å; D34-N38 PolarHBondContact O-ND2 3.29Å; D34-N38 PolarHBondContact OD2-ND2 2.99Å; Q35-N38 PolarHBondContact O-N 2.91Å; N38-C40 VanDerWaalsContact C-N 3.31Å; N38-C40 PolarHBondContact O-N 2.94Å; N38-C41 PolarHBondContact O-N 3.2Å; N38-E42 WeakPolarHBondContact O-CG 3.19Å; N38-E42 PolarHBondContact O-N 2.8Å |
| 39 | R | 89.6 | Confident | 87.7 | Confident | 72 Ų | 72 | 79.5 Ų | 79.5 | 27% | 0.272 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 174.2 | -72.6 | -172.2 | -174.4 | -165.3 | 7.5 | 112 | W24 D27 Q35 N36 L37 E42 L43 | W24-R39 HydrophobicContact CD2-CB 4.43Å; W24-R39 HydrophobicContact CG-CB 4.14Å; D27-R39 VanDerWaalsContact CB-NH1 3.33Å; D27-R39 IonicContact OD2-CZ 2.52Å; D27-R39 IonicContact OD2-NH1 2.84Å; D27-R39 PolarHBondContact OD2-NH1 3.14Å; D27-R39 IonicContact OD2-NH2 3.69Å; D27-R39 PolarHBondContact OD2-NH2 2.97Å; Q35-R39 WeakPolarHBondContact O-CG 3.47Å; Q35-R39 PolarHBondContact O-N 3.1Å; N36-R39 PolarHBondContact O-N 3.47Å; L37-R39 PolarHBondContact O-N 3.37Å; R39-E42 PolarHBondContact O-N 3.22Å; R39-L43 WeakPolarHBondContact O-CG 3.37Å; R39-L43 PolarHBondContact O-N 3.11Å; R39-L43 VanDerWaalsContact O-N 3.07Å |
| 40 | C | 87.6 | Confident | 87.7 | Confident | 47 Ų | 47 | 71.6 Ų | 71.6 | 32% | 0.318 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 174.3 | -171.4 | 0 | 0 | 0 | 0 | 111.6 | W24 N36 L37 N38 E42 L43 V44 | W24-C40 HydrophobicContact CH2-CB 3.68Å; W24-C40 HydrophobicContact CZ2-CB 3.92Å; W24-C40 HydrophobicContact CZ3-CB 4.41Å; N36-C40 WeakPolarHBondContact O-CB 3.12Å; N36-C40 PolarHBondContact O-N 2.74Å; L37-C40 WeakPolarHBondContact O-CB 3.45Å; L37-C40 PolarHBondContact O-N 3.32Å; N38-C40 VanDerWaalsContact C-N 3.31Å; N38-C40 PolarHBondContact O-N 2.94Å; C40-E42 PolarHBondContact O-N 3.48Å; C40-L43 WeakPolarHBondContact O-CB 3.4Å; C40-L43 PolarHBondContact O-N 3.02Å; C40-L43 VanDerWaalsContact O-N 3.14Å; C40-V44 WeakPolarHBondContact O-CG2 3.5Å; C40-V44 PolarHBondContact O-N 3.28Å |
| 41 | C | 86.6 | Confident | 87.6 | Confident | 69 Ų | 69 | 70.3 Ų | 70.3 | 47% | 0.466 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 175.9 | -70.8 | 0 | 0 | 0 | 0 | 111.8 | L37 N38 L43 V44 E45 | L37-C41 PolarHBondContact O-N 3.34Å; L37-C41 PolarHBondContact O-SG 2.88Å; L37-C41 VanDerWaalsContact O-SG 3.34Å; N38-C41 PolarHBondContact O-N 3.2Å; C41-L43 VanDerWaalsContact C-N 3.3Å; C41-L43 PolarHBondContact O-N 3.05Å; C41-V44 PolarHBondContact O-N 3.07Å; C41-E45 WeakPolarHBondContact O-CG 3.46Å; C41-E45 PolarHBondContact O-N 3.21Å |
| 42 | E | 89.8 | Confident | 87.4 | Confident | 90 Ų | 90 | 70.4 Ų | 70.4 | 42% | 0.421 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.3 | -39.5 | 174.8 | -74.1 | -175.7 | -156.4 | 0 | 0 | 112.6 | K20 N38 R39 C40 E45 L46 | K20-E42 IonicContact NZ-OE2 2.8Å; K20-E42 PolarHBondContact NZ-OE2 3.38Å; N38-E42 WeakPolarHBondContact O-CG 3.19Å; N38-E42 PolarHBondContact O-N 2.8Å; R39-E42 PolarHBondContact O-N 3.22Å; C40-E42 PolarHBondContact O-N 3.48Å; E42-E45 PolarHBondContact O-N 3.5Å; E42-L46 WeakPolarHBondContact O-CB 3.44Å; E42-L46 PolarHBondContact O-N 3.46Å |
| 43 | L | 89.6 | Confident | 87.2 | Confident | 13 Ų | 13 | 71.6 Ų | 71.6 | 7% | 0.068 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.7 | -39.3 | 176.4 | -71 | 169.8 | 0 | 0 | 0 | 111.5 | L17 K20 L21 W24 R39 C40 C41 L46 T47 | L17-L43 HydrophobicContact CD1-CD2 3.65Å; K20-L43 HydrophobicContact CB-CD2 3.77Å; L21-L43 HydrophobicContact CB-CD2 4.39Å; L21-L43 HydrophobicContact CD1-CD1 4.35Å; L21-L43 HydrophobicContact CG-CD1 4.49Å; W24-L43 HydrophobicContact CD2-CD1 4.06Å; W24-L43 HydrophobicContact CE3-CD1 3.27Å; W24-L43 HydrophobicContact CZ3-CD1 3.73Å; R39-L43 WeakPolarHBondContact O-CG 3.37Å; R39-L43 PolarHBondContact O-N 3.11Å; R39-L43 VanDerWaalsContact O-N 3.07Å; C40-L43 WeakPolarHBondContact O-CB 3.4Å; C40-L43 PolarHBondContact O-N 3.02Å; C40-L43 VanDerWaalsContact O-N 3.14Å; C41-L43 VanDerWaalsContact C-N 3.3Å; C41-L43 PolarHBondContact O-N 3.05Å; L43-L46 PolarHBondContact O-N 2.94Å; L43-T47 WeakPolarHBondContact O-CB 3.39Å; L43-T47 PolarHBondContact O-N 2.95Å; L43-T47 PolarHBondContact O-OG1 3.14Å |
| 44 | V | 87.8 | Confident | 87 | Confident | 94 Ų | 94 | 70.9 Ų | 70.9 | 57% | 0.57 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.2 | -42.6 | 174.6 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | C40 C41 L46 T47 S48 | C40-V44 WeakPolarHBondContact O-CG2 3.5Å; C40-V44 PolarHBondContact O-N 3.28Å; C41-V44 PolarHBondContact O-N 3.07Å; V44-L46 PolarHBondContact O-N 3.1Å; V44-T47 PolarHBondContact O-N 3.25Å; V44-S48 WeakPolarHBondContact O-CB 3.5Å; V44-S48 PolarHBondContact O-N 3.38Å |
| 45 | E | 88.1 | Confident | 86.9 | Confident | 113 Ų | 113 | 70.4 Ų | 70.4 | 53% | 0.528 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 174.7 | -75.1 | -175.7 | -170.9 | 0 | 0 | 112.6 | C41 E42 T47 S48 K49 | C41-E45 WeakPolarHBondContact O-CG 3.46Å; C41-E45 PolarHBondContact O-N 3.21Å; E42-E45 PolarHBondContact O-N 3.5Å; E45-T47 VanDerWaalsContact C-N 3.34Å; E45-S48 PolarHBondContact O-N 2.89Å; E45-S48 PolarHBondContact O-OG 2.67Å; E45-K49 WeakPolarHBondContact O-CG 3.5Å; E45-K49 PolarHBondContact O-N 3.05Å |
| 46 | L | 87.1 | Confident | 86.6 | Confident | 36 Ų | 36 | 69.2 Ų | 69.2 | 19% | 0.188 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.6 | -38.5 | 178.1 | -161.7 | 121.6 | 0 | 0 | 0 | 111.1 | V16 L17 E42 L43 V44 K49 I50 | V16-L46 HydrophobicContact CG1-CD1 4.17Å; L17-L46 HydrophobicContact CB-CD2 3.37Å; L17-L46 HydrophobicContact CD1-CB 4.37Å; L17-L46 HydrophobicContact CD1-CD2 3.53Å; L17-L46 HydrophobicContact CD2-CD2 4.5Å; L17-L46 HydrophobicContact CG-CD2 3.94Å; E42-L46 WeakPolarHBondContact O-CB 3.44Å; E42-L46 PolarHBondContact O-N 3.46Å; L43-L46 PolarHBondContact O-N 2.94Å; V44-L46 PolarHBondContact O-N 3.1Å; L46-K49 PolarHBondContact O-N 3.22Å; L46-I50 HydrophobicContact CD2-CD1 3.94Å; L46-I50 WeakPolarHBondContact O-CG1 3.49Å; L46-I50 PolarHBondContact O-N 3.01Å |
| 47 | T | 87.2 | Confident | 86.3 | Confident | 47 Ų | 47 | 69.4 Ų | 69.4 | 29% | 0.288 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 175.9 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | L43 V44 E45 K49 I50 Q51 | L43-T47 WeakPolarHBondContact O-CB 3.39Å; L43-T47 PolarHBondContact O-N 2.95Å; L43-T47 PolarHBondContact O-OG1 3.14Å; V44-T47 PolarHBondContact O-N 3.25Å; E45-T47 VanDerWaalsContact C-N 3.34Å; T47-K49 PolarHBondContact O-N 3.46Å; T47-I50 PolarHBondContact O-N 3.43Å; T47-Q51 HydrophobicContact CG2-CG 4.33Å; T47-Q51 WeakPolarHBondContact O-CB 3.28Å; T47-Q51 VanDerWaalsContact O-CG 3.26Å; T47-Q51 WeakPolarHBondContact O-CG 3.44Å; T47-Q51 PolarHBondContact O-N 2.86Å |
| 48 | S | 85.1 | Confident | 86.1 | Confident | 59 Ų | 59 | 67.9 Ų | 67.9 | 41% | 0.413 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.9 | -36.2 | 178.5 | 72 | 0 | 0 | 0 | 0 | 112.5 | V44 E45 Q51 G52 | V44-S48 WeakPolarHBondContact O-CB 3.5Å; V44-S48 PolarHBondContact O-N 3.38Å; E45-S48 PolarHBondContact O-N 2.89Å; E45-S48 PolarHBondContact O-OG 2.67Å; S48-Q51 PolarHBondContact O-N 3.04Å; S48-G52 PolarHBondContact O-N 3.23Å |
| 49 | K | 84.4 | Confident | 85.6 | Confident | 141 Ų | 141 | 68.1 Ų | 68.1 | 61% | 0.613 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.1 | -46 | 172.5 | -72.1 | 172.3 | -176 | 168.4 | 0 | 111.7 | E45 L46 T47 G52 Q53 | E45-K49 WeakPolarHBondContact O-CG 3.5Å; E45-K49 PolarHBondContact O-N 3.05Å; L46-K49 PolarHBondContact O-N 3.22Å; T47-K49 PolarHBondContact O-N 3.46Å; K49-G52 PolarHBondContact O-N 3.14Å; K49-Q53 WeakPolarHBondContact O-CG 3.36Å; K49-Q53 PolarHBondContact O-N 3.42Å; K49-Q53 VanDerWaalsContact O-N 3.14Å |
| 50 | I | 85.8 | Confident | 85.1 | Confident | 9 Ų | 9 | 69.4 Ų | 69.4 | 5% | 0.046 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.2 | -46 | 176.6 | -68.4 | 168.5 | 0 | 0 | 0 | 110.6 | F14 L17 L46 T47 G52 Q53 L54 | F14-I50 HydrophobicContact CD1-CD1 4.29Å; F14-I50 HydrophobicContact CD1-CG2 4.37Å; F14-I50 HydrophobicContact CE1-CD1 4.38Å; F14-I50 HydrophobicContact CE1-CG2 3.46Å; F14-I50 VanDerWaalsContact CE1-CG2 3.46Å; F14-I50 HydrophobicContact CE2-CG2 4.13Å; F14-I50 HydrophobicContact CZ-CG2 3.31Å; L17-I50 HydrophobicContact CB-CD1 4.45Å; L17-I50 HydrophobicContact CD2-CD1 4.11Å; L46-I50 HydrophobicContact CD2-CD1 3.94Å; L46-I50 WeakPolarHBondContact O-CG1 3.49Å; L46-I50 PolarHBondContact O-N 3.01Å; T47-I50 PolarHBondContact O-N 3.43Å; I50-G52 VanDerWaalsContact C-N 3.35Å; I50-G52 PolarHBondContact O-N 3Å; I50-Q53 PolarHBondContact O-N 3.36Å; I50-L54 HydrophobicContact CG2-CD1 4.15Å; I50-L54 WeakPolarHBondContact O-CG 3.47Å; I50-L54 PolarHBondContact O-N 3.19Å |
| 51 | Q | 84.8 | Confident | 84.6 | Confident | 95 Ų | 95 | 70.6 Ų | 70.6 | 44% | 0.444 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.1 | -45.1 | 176 | -75.8 | 173.7 | -15.5 | 0 | 0 | 111.5 | T47 S48 Q53 L54 F55 | T47-Q51 HydrophobicContact CG2-CG 4.33Å; T47-Q51 WeakPolarHBondContact O-CB 3.28Å; T47-Q51 VanDerWaalsContact O-CG 3.26Å; T47-Q51 WeakPolarHBondContact O-CG 3.44Å; T47-Q51 PolarHBondContact O-N 2.86Å; S48-Q51 PolarHBondContact O-N 3.04Å; Q51-Q53 VanDerWaalsContact C-N 3.33Å; Q51-Q53 PolarHBondContact O-N 3.34Å; Q51-L54 PolarHBondContact O-N 2.99Å; Q51-F55 HydrophobicContact CB-CD2 4.46Å; Q51-F55 HydrophobicContact CB-CE2 4.45Å; Q51-F55 WeakPolarHBondContact O-CD2 3.49Å; Q51-F55 PolarHBondContact O-N 2.96Å |
| 52 | G | 82.6 | Confident | 84 | Confident | 34 Ų | 34 | 68.5 Ų | 68.5 | 35% | 0.351 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S48 K49 I50 F55 T56 | S48-G52 PolarHBondContact O-N 3.23Å; K49-G52 PolarHBondContact O-N 3.14Å; I50-G52 VanDerWaalsContact C-N 3.35Å; I50-G52 PolarHBondContact O-N 3Å; G52-F55 PolarHBondContact O-N 3.4Å; G52-T56 PolarHBondContact O-N 3.46Å; G52-T56 PolarHBondContact O-OG1 3.26Å |
| 53 | Q | 83.9 | Confident | 83.2 | Confident | 82 Ų | 82 | 72.8 Ų | 72.8 | 38% | 0.383 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 174.5 | -69.8 | 176.8 | -36.5 | 0 | 0 | 111.8 | L8 K49 I50 Q51 T56 I57 | L8-Q53 HydrophobicContact CD1-CB 3.96Å; K49-Q53 WeakPolarHBondContact O-CG 3.36Å; K49-Q53 PolarHBondContact O-N 3.42Å; K49-Q53 VanDerWaalsContact O-N 3.14Å; I50-Q53 PolarHBondContact O-N 3.36Å; Q51-Q53 VanDerWaalsContact C-N 3.33Å; Q51-Q53 PolarHBondContact O-N 3.34Å; Q53-T56 WeakPolarHBondContact O-CB 3.39Å; Q53-T56 PolarHBondContact O-N 2.85Å; Q53-I57 WeakPolarHBondContact O-CG1 3.4Å; Q53-I57 PolarHBondContact O-N 2.94Å; Q53-I57 VanDerWaalsContact O-N 3.12Å |
| 54 | L | 85.1 | Confident | 82.3 | Confident | 83 Ų | 83 | 78 Ų | 78 | 44% | 0.435 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 175.2 | -72.2 | 171.5 | 0 | 0 | 0 | 112.5 | L8 I50 Q51 T56 I57 L58 | L8-L54 HydrophobicContact CD2-CD2 3.58Å; L8-L54 HydrophobicContact CD2-CG 4.12Å; I50-L54 HydrophobicContact CG2-CD1 4.15Å; I50-L54 WeakPolarHBondContact O-CG 3.47Å; I50-L54 PolarHBondContact O-N 3.19Å; Q51-L54 PolarHBondContact O-N 2.99Å; L54-T56 VanDerWaalsContact C-N 3.3Å; L54-T56 PolarHBondContact O-N 3.43Å; L54-I57 PolarHBondContact O-N 3.31Å; L54-L58 WeakPolarHBondContact O-CB 3.42Å; L54-L58 PolarHBondContact O-N 3.5Å |
| 55 | F | 84.1 | Confident | 81.1 | Confident | 95 Ų | 95 | 75.2 Ų | 75.2 | 42% | 0.417 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.3 | -36.7 | 174.8 | -83.6 | -64.4 | 0 | 0 | 0 | 112.4 | Q51 G52 I57 L58 N59 L78 | Q51-F55 HydrophobicContact CB-CD2 4.46Å; Q51-F55 HydrophobicContact CB-CE2 4.45Å; Q51-F55 WeakPolarHBondContact O-CD2 3.49Å; Q51-F55 PolarHBondContact O-N 2.96Å; G52-F55 PolarHBondContact O-N 3.4Å; F55-I57 VanDerWaalsContact C-N 3.34Å; F55-L58 HydrophobicContact CD1-CD2 4.1Å; F55-L58 HydrophobicContact CE1-CD2 4.38Å; F55-L58 PolarHBondContact O-N 2.88Å; F55-N59 WeakPolarHBondContact O-CB 3.38Å; F55-N59 PolarHBondContact O-N 3.03Å; F55-L78 HydrophobicContact CE1-CD1 4.46Å; F55-L78 HydrophobicContact CE1-CD2 4.38Å |
| 56 | T | 82.8 | Confident | 79.8 | Confident | 75 Ų | 75 | 72.1 Ų | 72.1 | 46% | 0.46 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 174.8 | -58.8 | 0 | 0 | 0 | 0 | 110.8 | G52 Q53 L54 N59 F60 | G52-T56 PolarHBondContact O-N 3.46Å; G52-T56 PolarHBondContact O-OG1 3.26Å; Q53-T56 WeakPolarHBondContact O-CB 3.39Å; Q53-T56 PolarHBondContact O-N 2.85Å; L54-T56 VanDerWaalsContact C-N 3.3Å; L54-T56 PolarHBondContact O-N 3.43Å; T56-N59 PolarHBondContact O-N 3.41Å; T56-F60 HydrophobicContact CG2-CD2 4.02Å; T56-F60 HydrophobicContact CG2-CE2 3.62Å; T56-F60 WeakPolarHBondContact O-CD2 3.47Å; T56-F60 PolarHBondContact O-N 2.94Å |
| 57 | I | 83.3 | Confident | 78.3 | Confident | 23 Ų | 23 | 79.1 Ų | 79.1 | 12% | 0.118 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63 | -46.9 | 175.1 | -66.2 | 170.4 | 0 | 0 | 0 | 110.5 | L5 L8 Q53 L54 F55 N59 F60 T61 | L5-I57 HydrophobicContact CB-CD1 4.44Å; L8-I57 HydrophobicContact CB-CD1 4.38Å; L8-I57 HydrophobicContact CD2-CD1 3.75Å; Q53-I57 WeakPolarHBondContact O-CG1 3.4Å; Q53-I57 PolarHBondContact O-N 2.94Å; Q53-I57 VanDerWaalsContact O-N 3.12Å; L54-I57 PolarHBondContact O-N 3.31Å; F55-I57 VanDerWaalsContact C-N 3.34Å; I57-N59 VanDerWaalsContact C-N 3.31Å; I57-N59 PolarHBondContact O-N 3.47Å; I57-F60 PolarHBondContact O-N 3.5Å; I57-F60 VanDerWaalsContact O-N 3.14Å; I57-T61 PolarHBondContact O-N 2.98Å; I57-T61 PolarHBondContact O-OG1 3.4Å; I57-T61 VanDerWaalsContact O-OG1 3.08Å |
| 58 | L | 82.8 | Confident | 76.9 | Confident | 66 Ų | 66 | 86.2 Ų | 86.2 | 35% | 0.346 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -55.4 | -43.8 | 177.6 | 178.6 | 66.4 | 0 | 0 | 0 | 112.4 | L54 F55 T61 A62 L74 L78 | L54-L58 WeakPolarHBondContact O-CB 3.42Å; L54-L58 PolarHBondContact O-N 3.5Å; F55-L58 HydrophobicContact CD1-CD2 4.1Å; F55-L58 HydrophobicContact CE1-CD2 4.38Å; F55-L58 PolarHBondContact O-N 2.88Å; L58-T61 PolarHBondContact O-N 3.26Å; L58-A62 WeakPolarHBondContact O-CB 3.48Å; L58-A62 PolarHBondContact O-N 3.23Å; L58-L74 HydrophobicContact CD1-CD2 4.23Å; L58-L74 HydrophobicContact CD2-CD2 3.95Å; L58-L74 HydrophobicContact CG-CD2 4.23Å; L58-L78 HydrophobicContact CD2-CD2 3.99Å |
| 59 | N | 79.4 | Confident | 75.7 | Confident | 88 Ų | 88 | 86 Ų | 86 | 47% | 0.471 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66 | -38.4 | 179.1 | -168.9 | 24.2 | 0 | 0 | 0 | 112.2 | F55 T56 I57 R63 | F55-N59 WeakPolarHBondContact O-CB 3.38Å; F55-N59 PolarHBondContact O-N 3.03Å; T56-N59 PolarHBondContact O-N 3.41Å; I57-N59 VanDerWaalsContact C-N 3.31Å; I57-N59 PolarHBondContact O-N 3.47Å; N59-R63 WeakPolarHBondContact O-CG 3.21Å; N59-R63 PolarHBondContact O-N 2.93Å |
| 60 | F | 78.9 | Confident | 74.7 | Confident | 98 Ų | 98 | 80.6 Ų | 80.6 | 43% | 0.43 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 172.5 | -75.3 | -57.6 | 0 | 0 | 0 | 111.7 | T56 I57 A62 R63 E64 | T56-F60 HydrophobicContact CG2-CD2 4.02Å; T56-F60 HydrophobicContact CG2-CE2 3.62Å; T56-F60 WeakPolarHBondContact O-CD2 3.47Å; T56-F60 PolarHBondContact O-N 2.94Å; I57-F60 PolarHBondContact O-N 3.5Å; I57-F60 VanDerWaalsContact O-N 3.14Å; F60-A62 PolarHBondContact O-N 3.29Å; F60-R63 PolarHBondContact O-N 2.9Å; F60-E64 PolarHBondContact O-N 3.18Å |
| 61 | T | 78.3 | Confident | 73.9 | Confident | 73 Ų | 73 | 82.7 Ų | 82.7 | 45% | 0.448 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 178.5 | -54.8 | 0 | 0 | 0 | 0 | 112.4 | I57 L58 R63 E64 | I57-T61 PolarHBondContact O-N 2.98Å; I57-T61 PolarHBondContact O-OG1 3.4Å; I57-T61 VanDerWaalsContact O-OG1 3.08Å; L58-T61 PolarHBondContact O-N 3.26Å; T61-R63 VanDerWaalsContact C-N 3.27Å; T61-R63 PolarHBondContact O-N 3.02Å; T61-E64 PolarHBondContact O-N 3.01Å |
| 62 | A | 73.8 | Confident | 73.2 | Confident | 25 Ų | 25 | 83.8 Ų | 83.8 | 21% | 0.207 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -67 | -27.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | L58 F60 L74 | L58-A62 WeakPolarHBondContact O-CB 3.48Å; L58-A62 PolarHBondContact O-N 3.23Å; F60-A62 PolarHBondContact O-N 3.29Å; A62-L74 HydrophobicContact CB-CD1 4.23Å |
| 63 | R | 71.4 | Confident | 72.7 | Confident | 180 Ų | 180 | 86.2 Ų | 86.2 | 68% | 0.679 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -80.4 | -24.1 | 179.5 | -78.5 | 174.8 | 157.4 | -170.7 | -6.3 | 114.1 | N59 F60 T61 G65 | N59-R63 WeakPolarHBondContact O-CG 3.21Å; N59-R63 PolarHBondContact O-N 2.93Å; F60-R63 PolarHBondContact O-N 2.9Å; T61-R63 VanDerWaalsContact C-N 3.27Å; T61-R63 PolarHBondContact O-N 3.02Å; R63-G65 PolarHBondContact O-N 3.44Å |
| 64 | E | 70.7 | Confident | 72.3 | Confident | 121 Ų | 121 | 84.9 Ų | 84.9 | 57% | 0.565 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -12.8 | 179.2 | -74.3 | 177.2 | 177.5 | 0 | 0 | 113 | M1 F60 T61 | M1-E64 WeakPolarHBondContact CB-OE1 3.39Å; M1-E64 VanDerWaalsContact CE-OE2 3.26Å; M1-E64 WeakPolarHBondContact CE-OE2 3.35Å; F60-E64 PolarHBondContact O-N 3.18Å; T61-E64 PolarHBondContact O-N 3.01Å |
| 65 | G | 62.5 | Low | 71.8 | Confident | 37 Ų | 37 | 87 Ų | 87 | 38% | 0.381 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 4.8 | -179 | 0 | 0 | 0 | 0 | 0 | 117.2 | R63 A69 | R63-G65 PolarHBondContact O-N 3.44Å; G65-A69 WeakPolarHBondContact O-CB 3.49Å; G65-A69 PolarHBondContact O-N 3.11Å |
| 66 | G | 61.8 | Low | 71.3 | Confident | 47 Ų | 47 | 86.3 Ų | 86.3 | 49% | 0.485 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | -171.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y68 | G66-Y68 PolarHBondContact O-N 3.14Š|
| 67 | H | 56 | Low | 71 | Confident | 183 Ų | 183 | 91.7 Ų | 91.7 | 85% | 0.847 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -15.5 | -169.5 | -88.8 | 23.8 | 0 | 0 | 0 | 115.7 | ||
| 68 | Y | 56.7 | Low | 70.8 | Confident | 196 Ų | 196 | 92.9 Ų | 92.9 | 77% | 0.769 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.4 | -12.5 | -175.2 | -68.6 | -80.9 | 0 | 0 | 0 | 116.1 | G66 | G66-Y68 PolarHBondContact O-N 3.14Š|
| 69 | A | 60.3 | Low | 70.4 | Confident | 54 Ų | 54 | 94.8 Ų | 94.8 | 45% | 0.446 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 137.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G65 | G65-A69 WeakPolarHBondContact O-CB 3.49Å; G65-A69 PolarHBondContact O-N 3.11Å |
| 70 | G | 64.1 | Low | 70.3 | Confident | 28 Ų | 28 | 93.8 Ų | 93.8 | 29% | 0.289 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.9 | -18.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D72 V73 L74 | G70-D72 VanDerWaalsContact C-N 3.33Å; G70-D72 PolarHBondContact O-N 2.98Å; G70-V73 PolarHBondContact O-N 3.46Å; G70-L74 WeakPolarHBondContact O-CG 3.36Å; G70-L74 PolarHBondContact O-N 3.23Å |
| 71 | V | 68.4 | Low | 70.1 | Confident | 53 Ų | 53 | 96 Ų | 96 | 32% | 0.321 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 176.7 | 177 | 0 | 0 | 0 | 0 | 111.5 | V73 L74 K75 | V71-V73 PolarHBondContact O-N 3.48Å; V71-L74 PolarHBondContact O-N 2.85Å; V71-K75 HydrophobicContact CG1-CD 3.93Å; V71-K75 HydrophobicContact CG1-CG 4.29Å; V71-K75 WeakPolarHBondContact O-CB 3.49Å; V71-K75 WeakPolarHBondContact O-CG 3.24Å; V71-K75 PolarHBondContact O-N 3.4Å |
| 72 | D | 69.4 | Low | 69.7 | Low | 118 Ų | 118 | 95 Ų | 95 | 63% | 0.631 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.3 | -34.8 | -179.9 | -64.5 | -31.9 | 0 | 0 | 0 | 112.5 | G70 K75 S76 | G70-D72 VanDerWaalsContact C-N 3.33Å; G70-D72 PolarHBondContact O-N 2.98Å; D72-K75 PolarHBondContact O-N 3.22Å; D72-S76 VanDerWaalsContact O-CB 3.22Å; D72-S76 WeakPolarHBondContact O-CB 3.27Å; D72-S76 PolarHBondContact O-N 3Å; D72-S76 PolarHBondContact O-OG 3.42Å |
| 73 | V | 73.1 | Confident | 69.2 | Low | 86 Ų | 86 | 95.9 Ų | 95.9 | 52% | 0.521 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.8 | -39.5 | 176.1 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | G70 V71 R77 | G70-V73 PolarHBondContact O-N 3.46Å; V71-V73 PolarHBondContact O-N 3.48Å; V73-R77 WeakPolarHBondContact O-CB 3.44Å; V73-R77 PolarHBondContact O-N 2.93Å |
| 74 | L | 76.2 | Confident | 68.8 | Low | 53 Ų | 53 | 91.6 Ų | 91.6 | 28% | 0.277 | 50% | 0.496 | S | S | . | . | I | π-helix | trans | -64.7 | -44.8 | 174.6 | -68.3 | 171.9 | 0 | 0 | 0 | 111.6 | L58 A62 G70 V71 L78 L79 | L58-L74 HydrophobicContact CD1-CD2 4.23Å; L58-L74 HydrophobicContact CD2-CD2 3.95Å; L58-L74 HydrophobicContact CG-CD2 4.23Å; A62-L74 HydrophobicContact CB-CD1 4.23Å; G70-L74 WeakPolarHBondContact O-CG 3.36Å; G70-L74 PolarHBondContact O-N 3.23Å; V71-L74 PolarHBondContact O-N 2.85Å; L74-L78 HydrophobicContact CD2-CB 4.4Å; L74-L78 HydrophobicContact CD2-CD2 3.74Å; L74-L78 WeakPolarHBondContact O-CB 3.37Å; L74-L78 PolarHBondContact O-N 3.23Å; L74-L78 VanDerWaalsContact O-N 3.15Å; L74-L79 PolarHBondContact O-N 3.29Å; L74-L79 VanDerWaalsContact O-N 3.1Å |
| 75 | K | 73.4 | Confident | 68.1 | Low | 129 Ų | 129 | 89 Ų | 89 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | I | π-helix | trans | -68.7 | -40 | 179.7 | -74.9 | -179.6 | 179.4 | 176.4 | 0 | 113.3 | V71 D72 L79 P80 | V71-K75 HydrophobicContact CG1-CD 3.93Å; V71-K75 HydrophobicContact CG1-CG 4.29Å; V71-K75 WeakPolarHBondContact O-CB 3.49Å; V71-K75 WeakPolarHBondContact O-CG 3.24Å; V71-K75 PolarHBondContact O-N 3.4Å; D72-K75 PolarHBondContact O-N 3.22Å; K75-L79 HydrophobicContact CG-CD1 4.23Å; K75-P80 VanDerWaalsContact O-CD 3.31Å; K75-P80 WeakPolarHBondContact O-CD 3.47Å |
| 76 | S | 74.9 | Confident | 67.6 | Low | 79 Ų | 79 | 95.4 Ų | 95.4 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | I | π-helix | trans | -84.9 | -27 | -175.2 | 59.9 | 0 | 0 | 0 | 0 | 114.2 | D72 | D72-S76 VanDerWaalsContact O-CB 3.22Å; D72-S76 WeakPolarHBondContact O-CB 3.27Å; D72-S76 PolarHBondContact O-N 3Å; D72-S76 PolarHBondContact O-OG 3.42Å |
| 77 | R | 76.1 | Confident | 67.1 | Low | 189 Ų | 189 | 97.7 Ų | 97.7 | 71% | 0.713 | 52% | 0.516 | S | S | * | . | I | π-helix | trans | -115.7 | -46 | -174.7 | -61 | -175.3 | 66.4 | -163.5 | -0.9 | 114.2 | V73 W81 | V73-R77 WeakPolarHBondContact O-CB 3.44Å; V73-R77 PolarHBondContact O-N 2.93Å; R77-W81 WeakPolarHBondContact O-CB 3.35Å |
| 78 | L | 77.8 | Confident | 66.8 | Low | 47 Ų | 47 | 96.8 Ų | 96.8 | 25% | 0.246 | 52% | 0.515 | C | S | . | . | I | π-helix | trans | -79.5 | -46.6 | -173.3 | -173.5 | 70.6 | 0 | 0 | 0 | 112.1 | F55 L58 L74 W81 L82 | F55-L78 HydrophobicContact CE1-CD1 4.46Å; F55-L78 HydrophobicContact CE1-CD2 4.38Å; L58-L78 HydrophobicContact CD2-CD2 3.99Å; L74-L78 HydrophobicContact CD2-CB 4.4Å; L74-L78 HydrophobicContact CD2-CD2 3.74Å; L74-L78 WeakPolarHBondContact O-CB 3.37Å; L74-L78 PolarHBondContact O-N 3.23Å; L74-L78 VanDerWaalsContact O-N 3.15Å; L78-W81 HydrophobicContact CD1-CE3 4.46Å; L78-W81 PolarHBondContact O-N 3.31Å; L78-L82 HydrophobicContact CG-CD1 4.11Å; L78-L82 WeakPolarHBondContact O-CG 3.41Å; L78-L82 PolarHBondContact O-N 3.35Å |
| 79 | L | 74.6 | Confident | 66.2 | Low | 106 Ų | 106 | 91.3 Ų | 91.3 | 56% | 0.555 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.5 | -44.6 | -177.6 | -67.8 | 177.7 | 0 | 0 | 0 | 113.6 | L74 K75 W81 L82 G83 | L74-L79 PolarHBondContact O-N 3.29Å; L74-L79 VanDerWaalsContact O-N 3.1Å; K75-L79 HydrophobicContact CG-CD1 4.23Å; L79-W81 VanDerWaalsContact C-N 3.31Å; L79-W81 PolarHBondContact O-N 2.89Å; L79-L82 PolarHBondContact O-N 3.29Å; L79-G83 PolarHBondContact O-N 3.34Å |
| 80 | P | 76.9 | Confident | 65.4 | Low | 68 Ų | 68 | 95.5 Ų | 95.5 | 44% | 0.442 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.8 | -36.3 | 176.6 | -23.8 | 36.7 | 0 | 0 | 0 | 112.4 | K75 G83 T84 | K75-P80 VanDerWaalsContact O-CD 3.31Å; K75-P80 WeakPolarHBondContact O-CD 3.47Å; P80-G83 PolarHBondContact O-N 2.73Å; P80-T84 PolarHBondContact O-N 3.03Å; P80-T84 VanDerWaalsContact O-N 3.08Å; P80-T84 PolarHBondContact O-OG1 3.37Å |
| 81 | W | 74.9 | Confident | 64.3 | Low | 144 Ų | 144 | 100.2 Ų | 100.2 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.3 | -47.9 | 175.5 | 179.7 | 81.2 | 0 | 0 | 0 | 111.5 | R77 L78 L79 G83 T84 C85 | R77-W81 WeakPolarHBondContact O-CB 3.35Å; L78-W81 HydrophobicContact CD1-CE3 4.46Å; L78-W81 PolarHBondContact O-N 3.31Å; L79-W81 VanDerWaalsContact C-N 3.31Å; L79-W81 PolarHBondContact O-N 2.89Å; W81-G83 PolarHBondContact O-N 3.49Å; W81-T84 PolarHBondContact O-N 2.99Å; W81-C85 VanDerWaalsContact CE2-SG 3.59Å; W81-C85 PolarHBondContact O-N 2.89Å; W81-C85 VanDerWaalsContact O-N 3.07Å; W81-C85 PolarHBondContact O-SG 3.08Å; W81-C85 VanDerWaalsContact O-SG 3.35Å |
| 82 | L | 70.8 | Confident | 63.3 | Low | 53 Ų | 53 | 102.7 Ų | 102.7 | 28% | 0.277 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.4 | -45.7 | 175.3 | -71.6 | 171.7 | 0 | 0 | 0 | 111.6 | L78 L79 T84 C85 F86 | L78-L82 HydrophobicContact CG-CD1 4.11Å; L78-L82 WeakPolarHBondContact O-CG 3.41Å; L78-L82 PolarHBondContact O-N 3.35Å; L79-L82 PolarHBondContact O-N 3.29Å; L82-T84 PolarHBondContact O-N 3.34Å; L82-C85 PolarHBondContact O-N 2.75Å; L82-F86 HydrophobicContact CD2-CE2 4.2Å; L82-F86 WeakPolarHBondContact O-CD2 3.42Å; L82-F86 PolarHBondContact O-N 3.09Å |
| 83 | G | 62.3 | Low | 62.2 | Low | 42 Ų | 42 | 102.7 Ų | 102.7 | 43% | 0.433 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.3 | -32.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L79 P80 W81 S87 | L79-G83 PolarHBondContact O-N 3.34Å; P80-G83 PolarHBondContact O-N 2.73Å; W81-G83 PolarHBondContact O-N 3.49Å; G83-S87 PolarHBondContact O-OG 3.03Å |
| 84 | T | 64.6 | Low | 61.1 | Low | 91 Ų | 91 | 102.7 Ų | 102.7 | 56% | 0.558 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -78.3 | -39.3 | 179.9 | -48.6 | 0 | 0 | 0 | 0 | 111.9 | P80 W81 L82 F86 S87 | P80-T84 PolarHBondContact O-N 3.03Å; P80-T84 VanDerWaalsContact O-N 3.08Å; P80-T84 PolarHBondContact O-OG1 3.37Å; W81-T84 PolarHBondContact O-N 2.99Å; L82-T84 PolarHBondContact O-N 3.34Å; T84-F86 VanDerWaalsContact C-N 3.32Å; T84-F86 PolarHBondContact O-N 3.36Å; T84-S87 PolarHBondContact O-N 3.08Å |
| 85 | C | 55.3 | Low | 60 | Low | 66 Ų | 66 | 106.7 Ų | 106.7 | 45% | 0.446 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.4 | -28.8 | -177.9 | -70.8 | 0 | 0 | 0 | 0 | 114.1 | W81 L82 | W81-C85 VanDerWaalsContact CE2-SG 3.59Å; W81-C85 PolarHBondContact O-N 2.89Å; W81-C85 VanDerWaalsContact O-N 3.07Å; W81-C85 PolarHBondContact O-SG 3.08Å; W81-C85 VanDerWaalsContact O-SG 3.35Å; L82-C85 PolarHBondContact O-N 2.75Å |
| 86 | F | 52.7 | Low | 59 | Low | 171 Ų | 171 | 106.6 Ų | 106.6 | 75% | 0.75 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -8.7 | 177.7 | -65.3 | -69.3 | 0 | 0 | 0 | 114 | L82 T84 | L82-F86 HydrophobicContact CD2-CE2 4.2Å; L82-F86 WeakPolarHBondContact O-CD2 3.42Å; L82-F86 PolarHBondContact O-N 3.09Å; T84-F86 VanDerWaalsContact C-N 3.32Å; T84-F86 PolarHBondContact O-N 3.36Å |
| 87 | S | 51.5 | Low | 58 | Low | 95 Ų | 95 | 106.1 Ų | 106.1 | 66% | 0.664 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -94.1 | -3.2 | -178.3 | -60.2 | 0 | 0 | 0 | 0 | 113.9 | G83 T84 A89 | G83-S87 PolarHBondContact O-OG 3.03Å; T84-S87 PolarHBondContact O-N 3.08Å; S87-A89 VanDerWaalsContact C-N 3.31Å; S87-A89 PolarHBondContact O-N 3.05Å |
| 88 | M | 47.9 | Very low | 57.1 | Low | 165 Ų | 165 | 99.2 Ų | 99.2 | 81% | 0.813 | 59% | 0.585 | S | S | * | * | trans | -84.1 | 7.2 | -174.2 | -72.5 | -135.9 | 69.8 | 0 | 0 | 115.4 | ||||
| 89 | A | 46 | Very low | 56.3 | Low | 80 Ų | 80 | 102.4 Ų | 102.4 | 66% | 0.661 | 60% | 0.601 | S | S | * | * | trans | -120.5 | 93.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | S87 | S87-A89 VanDerWaalsContact C-N 3.31Å; S87-A89 PolarHBondContact O-N 3.05Å | ||
| 90 | T | 42 | Very low | 56.1 | Low | 142 Ų | 142 | 102.6 Ų | 102.6 | 87% | 0.871 | 60% | 0.603 | S | S | * | * | trans | 168.4 | 85.3 | 141.5 | 39.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 91 | S | 41.6 | Very low | 55.9 | Low | 127 Ų | 127 | 104.1 Ų | 104.1 | 89% | 0.888 | 61% | 0.607 | S | S | * | * | trans | -87.3 | 99.1 | 162.1 | 55.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 92 | S | 46.7 | Very low | 56 | Low | 106 Ų | 106 | 101.7 Ų | 101.7 | 74% | 0.741 | 60% | 0.603 | S | S | * | * | trans | 176.5 | 89.7 | 156.7 | 164.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 93 | V | 46.4 | Very low | 56.4 | Low | 118 Ų | 118 | 104.4 Ų | 104.4 | 72% | 0.715 | 62% | 0.615 | S | S | * | * | trans | -93.2 | 116.7 | 173.2 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 94 | T | 50.8 | Low | 57.3 | Low | 85 Ų | 85 | 106.5 Ų | 106.5 | 52% | 0.521 | 61% | 0.613 | S | S | . | * | trans | -89.3 | 142.5 | 163.2 | 49.5 | 0 | 0 | 0 | 0 | 109.7 | D96 T97 | T94-D96 PolarHBondContact O-N 2.8Å; T94-D96 VanDerWaalsContact O-N 3.08Å; T94-T97 PolarHBondContact O-N 3.12Å; T94-T97 VanDerWaalsContact O-N 3.07Å; T94-T97 PolarHBondContact O-OG1 3.22Å; T94-T97 PolarHBondContact OG1-OG1 3.25Å | ||
| 95 | N | 53.3 | Low | 58 | Low | 137 Ų | 137 | 104.9 Ų | 104.9 | 73% | 0.733 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -56.9 | -27 | -169.3 | -71.5 | -20.6 | 0 | 0 | 0 | 114.9 | S98 | N95-S98 PolarHBondContact O-N 3.43Å; N95-S98 PolarHBondContact O-OG 3.22Å |
| 96 | D | 51.6 | Low | 59.5 | Low | 128 Ų | 128 | 104.9 Ų | 104.9 | 68% | 0.684 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -77 | -22.9 | -179.5 | -61 | -28.9 | 0 | 0 | 0 | 113.5 | T94 S98 | T94-D96 PolarHBondContact O-N 2.8Å; T94-D96 VanDerWaalsContact O-N 3.08Å; D96-S98 VanDerWaalsContact C-N 3.3Å |
| 97 | T | 54.6 | Low | 61 | Low | 69 Ų | 69 | 101.6 Ų | 101.6 | 42% | 0.423 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -71.6 | -30.7 | 174.2 | -44.2 | 0 | 0 | 0 | 0 | 110.9 | T94 L101 | T94-T97 PolarHBondContact O-N 3.12Å; T94-T97 VanDerWaalsContact O-N 3.07Å; T94-T97 PolarHBondContact O-OG1 3.22Å; T94-T97 PolarHBondContact OG1-OG1 3.25Å; T97-L101 HydrophobicContact CG2-CD1 4.03Å; T97-L101 HydrophobicContact CG2-CG 4.43Å; T97-L101 WeakPolarHBondContact O-CB 3.32Å; T97-L101 VanDerWaalsContact O-CG 3.25Å; T97-L101 WeakPolarHBondContact O-CG 3.47Å; T97-L101 PolarHBondContact O-N 3.15Å; T97-L101 VanDerWaalsContact O-N 3.09Å |
| 98 | S | 57.1 | Low | 62.7 | Low | 44 Ų | 44 | 102.6 Ų | 102.6 | 31% | 0.308 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67 | -39.8 | -179.1 | 76.4 | 0 | 0 | 0 | 0 | 112.6 | N95 D96 L101 I102 | N95-S98 PolarHBondContact O-N 3.43Å; N95-S98 PolarHBondContact O-OG 3.22Å; D96-S98 VanDerWaalsContact C-N 3.3Å; S98-L101 PolarHBondContact O-N 3.06Å; S98-I102 WeakPolarHBondContact O-CB 3.37Å; S98-I102 WeakPolarHBondContact O-CD1 3.34Å; S98-I102 WeakPolarHBondContact O-CG1 3.42Å; S98-I102 PolarHBondContact O-N 3.18Å |
| 99 | L | 61 | Low | 64.5 | Low | 114 Ų | 114 | 100.1 Ų | 100.1 | 60% | 0.597 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.8 | -40.1 | 178.9 | -86.5 | 171.8 | 0 | 0 | 0 | 112.7 | I102 Q103 | L99-I102 PolarHBondContact O-N 3.36Å; L99-Q103 WeakPolarHBondContact O-CB 3.36Å; L99-Q103 PolarHBondContact O-N 3.28Å |
| 100 | N | 70.7 | Confident | 66.7 | Low | 109 Ų | 109 | 103.2 Ų | 103.2 | 58% | 0.583 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.9 | -40.7 | 175.1 | -78.1 | -32.4 | 0 | 0 | 0 | 111.9 | Q103 E104 | N100-Q103 PolarHBondContact O-N 3.16Å; N100-E104 WeakPolarHBondContact O-CB 3.44Å; N100-E104 PolarHBondContact O-N 3.24Å |
| 101 | L | 72.5 | Confident | 69.1 | Low | 101 Ų | 101 | 102.9 Ų | 102.9 | 53% | 0.529 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.1 | -36.7 | 175.1 | -71 | 171.2 | 0 | 0 | 0 | 112.1 | T97 S98 S105 | T97-L101 HydrophobicContact CG2-CD1 4.03Å; T97-L101 HydrophobicContact CG2-CG 4.43Å; T97-L101 WeakPolarHBondContact O-CB 3.32Å; T97-L101 VanDerWaalsContact O-CG 3.25Å; T97-L101 WeakPolarHBondContact O-CG 3.47Å; T97-L101 PolarHBondContact O-N 3.15Å; T97-L101 VanDerWaalsContact O-N 3.09Å; S98-L101 PolarHBondContact O-N 3.06Å; L101-S105 VanDerWaalsContact O-CB 3.25Å; L101-S105 WeakPolarHBondContact O-CB 3.36Å; L101-S105 PolarHBondContact O-N 2.83Å; L101-S105 PolarHBondContact O-OG 2.9Å |
| 102 | I | 76.4 | Confident | 71.4 | Confident | 92 Ų | 92 | 102.2 Ų | 102.2 | 47% | 0.472 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.6 | -47.1 | 173.6 | -70.7 | 161.9 | 0 | 0 | 0 | 110 | S98 L99 E104 S105 V106 | S98-I102 WeakPolarHBondContact O-CB 3.37Å; S98-I102 WeakPolarHBondContact O-CD1 3.34Å; S98-I102 WeakPolarHBondContact O-CG1 3.42Å; S98-I102 PolarHBondContact O-N 3.18Å; L99-I102 PolarHBondContact O-N 3.36Å; I102-E104 PolarHBondContact O-N 3.34Å; I102-S105 WeakPolarHBondContact CA-OG 3.1Å; I102-S105 PolarHBondContact O-N 3.08Å; I102-S105 PolarHBondContact O-OG 3.36Å; I102-V106 WeakPolarHBondContact O-CG2 3.26Å; I102-V106 PolarHBondContact O-N 3.36Å |
| 103 | Q | 80 | Confident | 73.6 | Confident | 111 Ų | 111 | 104.2 Ų | 104.2 | 52% | 0.519 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 176.9 | -177 | 176.6 | -18.4 | 0 | 0 | 111.7 | L99 N100 S105 V106 E107 | L99-Q103 WeakPolarHBondContact O-CB 3.36Å; L99-Q103 PolarHBondContact O-N 3.28Å; N100-Q103 PolarHBondContact O-N 3.16Å; Q103-S105 VanDerWaalsContact C-N 3.28Å; Q103-S105 PolarHBondContact O-N 3.44Å; Q103-V106 PolarHBondContact O-N 3.26Å; Q103-E107 PolarHBondContact NE2-OE1 2.93Å; Q103-E107 WeakPolarHBondContact O-CG 3.38Å; Q103-E107 PolarHBondContact O-N 2.97Å |
| 104 | E | 79.9 | Confident | 75.9 | Confident | 85 Ų | 85 | 104.2 Ų | 104.2 | 40% | 0.397 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -35.6 | 177.2 | -168.1 | -174.3 | 171.3 | 0 | 0 | 111.5 | N100 I102 K108 | N100-E104 WeakPolarHBondContact O-CB 3.44Å; N100-E104 PolarHBondContact O-N 3.24Å; I102-E104 PolarHBondContact O-N 3.34Å; E104-K108 HydrophobicContact CG-CD 4.3Å; E104-K108 WeakPolarHBondContact O-CB 3.47Å; E104-K108 VanDerWaalsContact O-CG 3.28Å; E104-K108 WeakPolarHBondContact O-CG 3.42Å; E104-K108 PolarHBondContact O-N 2.9Å; E104-K108 WeakPolarHBondContact OE1-CE 3.37Å; E104-K108 IonicContact OE1-NZ 2.97Å; E104-K108 PolarHBondContact OE1-NZ 3.01Å |
| 105 | S | 79.9 | Confident | 77.9 | Confident | 58 Ų | 58 | 105.1 Ų | 105.1 | 41% | 0.406 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 175.1 | 76.4 | 0 | 0 | 0 | 0 | 112.2 | L101 I102 Q103 K108 E109 | L101-S105 VanDerWaalsContact O-CB 3.25Å; L101-S105 WeakPolarHBondContact O-CB 3.36Å; L101-S105 PolarHBondContact O-N 2.83Å; L101-S105 PolarHBondContact O-OG 2.9Å; I102-S105 WeakPolarHBondContact CA-OG 3.1Å; I102-S105 PolarHBondContact O-N 3.08Å; I102-S105 PolarHBondContact O-OG 3.36Å; Q103-S105 VanDerWaalsContact C-N 3.28Å; Q103-S105 PolarHBondContact O-N 3.44Å; S105-K108 PolarHBondContact O-N 3.49Å; S105-E109 VanDerWaalsContact O-CB 3.26Å; S105-E109 WeakPolarHBondContact O-CB 3.3Å; S105-E109 PolarHBondContact O-N 2.82Å |
| 106 | V | 86.8 | Confident | 79.7 | Confident | 65 Ų | 65 | 101.7 Ų | 101.7 | 39% | 0.394 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.6 | -38.1 | 178.3 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | I102 Q103 E109 R110 | I102-V106 WeakPolarHBondContact O-CG2 3.26Å; I102-V106 PolarHBondContact O-N 3.36Å; Q103-V106 PolarHBondContact O-N 3.26Å; V106-E109 PolarHBondContact O-N 3.46Å; V106-R110 WeakPolarHBondContact O-CB 3.41Å; V106-R110 PolarHBondContact O-N 3.36Å |
| 107 | E | 85 | Confident | 81.8 | Confident | 103 Ų | 103 | 98.2 Ų | 98.2 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.6 | -43.2 | 174.7 | -73.8 | 175.3 | -166.1 | 0 | 0 | 112 | Q103 E109 R110 K111 | Q103-E107 PolarHBondContact NE2-OE1 2.93Å; Q103-E107 WeakPolarHBondContact O-CG 3.38Å; Q103-E107 PolarHBondContact O-N 2.97Å; E107-E109 VanDerWaalsContact C-N 3.35Å; E107-R110 WeakPolarHBondContact O-CB 3.47Å; E107-R110 PolarHBondContact O-N 2.94Å; E107-K111 WeakPolarHBondContact O-CB 3.48Å; E107-K111 PolarHBondContact O-N 3.46Å |
| 108 | K | 87.1 | Confident | 83.7 | Confident | 116 Ų | 116 | 97.5 Ų | 97.5 | 50% | 0.504 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 173.3 | -76.4 | 174.8 | -177.1 | 167.2 | 0 | 111.5 | E104 S105 R110 K111 I112 | E104-K108 HydrophobicContact CG-CD 4.3Å; E104-K108 WeakPolarHBondContact O-CB 3.47Å; E104-K108 VanDerWaalsContact O-CG 3.28Å; E104-K108 WeakPolarHBondContact O-CG 3.42Å; E104-K108 PolarHBondContact O-N 2.9Å; E104-K108 WeakPolarHBondContact OE1-CE 3.37Å; E104-K108 IonicContact OE1-NZ 2.97Å; E104-K108 PolarHBondContact OE1-NZ 3.01Å; S105-K108 PolarHBondContact O-N 3.49Å; K108-R110 VanDerWaalsContact C-N 3.34Å; K108-R110 PolarHBondContact O-N 3.4Å; K108-K111 PolarHBondContact O-N 2.97Å; K108-I112 WeakPolarHBondContact O-CB 3.42Å; K108-I112 VanDerWaalsContact O-CG1 3.23Å; K108-I112 WeakPolarHBondContact O-CG1 3.19Å; K108-I112 PolarHBondContact O-N 3.47Å |
| 109 | E | 85.2 | Confident | 85.5 | Confident | 113 Ų | 113 | 101.5 Ų | 101.5 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.3 | -33.3 | 177.9 | -171.9 | 164.1 | -153.4 | 0 | 0 | 112.4 | S105 V106 E107 R113 | S105-E109 VanDerWaalsContact O-CB 3.26Å; S105-E109 WeakPolarHBondContact O-CB 3.3Å; S105-E109 PolarHBondContact O-N 2.82Å; V106-E109 PolarHBondContact O-N 3.46Å; E107-E109 VanDerWaalsContact C-N 3.35Å; E109-R113 WeakPolarHBondContact O-CG 3.21Å; E109-R113 PolarHBondContact O-N 2.97Å; E109-R113 VanDerWaalsContact O-N 3.09Å; E109-R113 PolarHBondContact O-NE 3.5Å |
| 110 | R | 91.7 | Very high | 87.1 | Confident | 144 Ų | 144 | 101 Ų | 101 | 54% | 0.543 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -48.8 | 168.3 | -175.3 | -172.9 | -60.1 | -171 | 1.6 | 110.9 | V106 E107 K108 I112 R113 E114 | V106-R110 WeakPolarHBondContact O-CB 3.41Å; V106-R110 PolarHBondContact O-N 3.36Å; E107-R110 WeakPolarHBondContact O-CB 3.47Å; E107-R110 PolarHBondContact O-N 2.94Å; K108-R110 VanDerWaalsContact C-N 3.34Å; K108-R110 PolarHBondContact O-N 3.4Å; R110-I112 VanDerWaalsContact C-N 3.33Å; R110-I112 PolarHBondContact O-N 2.88Å; R110-R113 WeakPolarHBondContact O-CB 3.5Å; R110-R113 PolarHBondContact O-N 3.04Å; R110-R113 VanDerWaalsContact O-N 3.15Å; R110-E114 WeakPolarHBondContact CG-OE1 3.4Å; R110-E114 PolarHBondContact O-N 3.34Å |
| 111 | K | 92.6 | Very high | 88.4 | Confident | 136 Ų | 136 | 100.5 Ų | 100.5 | 59% | 0.591 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.3 | -37.1 | -179.4 | -165.8 | 169.8 | -172.9 | 173.7 | 0 | 112.4 | E107 K108 E114 L115 | E107-K111 WeakPolarHBondContact O-CB 3.48Å; E107-K111 PolarHBondContact O-N 3.46Å; K108-K111 PolarHBondContact O-N 2.97Å; K111-E114 PolarHBondContact O-N 2.96Å; K111-L115 HydrophobicContact CG-CD1 4.23Å; K111-L115 WeakPolarHBondContact O-CB 3.36Å; K111-L115 VanDerWaalsContact O-CG 3.29Å; K111-L115 WeakPolarHBondContact O-CG 3.3Å; K111-L115 PolarHBondContact O-N 2.87Å |
| 112 | I | 90.9 | Very high | 89.4 | Confident | 112 Ų | 112 | 100.2 Ų | 100.2 | 57% | 0.574 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.9 | -45.3 | 173.3 | -71.8 | 164.4 | 0 | 0 | 0 | 110.1 | K108 R110 L115 S116 | K108-I112 WeakPolarHBondContact O-CB 3.42Å; K108-I112 VanDerWaalsContact O-CG1 3.23Å; K108-I112 WeakPolarHBondContact O-CG1 3.19Å; K108-I112 PolarHBondContact O-N 3.47Å; R110-I112 VanDerWaalsContact C-N 3.33Å; R110-I112 PolarHBondContact O-N 2.88Å; I112-L115 PolarHBondContact O-N 3.33Å; I112-S116 WeakPolarHBondContact O-CB 3.31Å; I112-S116 PolarHBondContact O-N 2.85Å; I112-S116 PolarHBondContact O-OG 3.18Å |
| 113 | R | 92.6 | Very high | 90.3 | Very high | 148 Ų | 148 | 100.4 Ų | 100.4 | 56% | 0.558 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.8 | -39.9 | 177.2 | -78.4 | -176.4 | -74.2 | 169.5 | -8.2 | 113.2 | E109 R110 S116 A117 | E109-R113 WeakPolarHBondContact O-CG 3.21Å; E109-R113 PolarHBondContact O-N 2.97Å; E109-R113 VanDerWaalsContact O-N 3.09Å; E109-R113 PolarHBondContact O-NE 3.5Å; R110-R113 WeakPolarHBondContact O-CB 3.5Å; R110-R113 PolarHBondContact O-N 3.04Å; R110-R113 VanDerWaalsContact O-N 3.15Å; R113-S116 WeakPolarHBondContact CA-OG 3.47Å; R113-S116 PolarHBondContact O-OG 2.85Å; R113-A117 WeakPolarHBondContact O-CB 3.28Å; R113-A117 PolarHBondContact O-N 3.35Å |
| 114 | E | 93.6 | Very high | 91.1 | Very high | 118 Ų | 118 | 100 Ų | 100 | 55% | 0.551 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.6 | -46.2 | 175.9 | -73.7 | 171.3 | -168.9 | 0 | 0 | 111.5 | R110 K111 S116 A117 S118 | R110-E114 WeakPolarHBondContact CG-OE1 3.4Å; R110-E114 PolarHBondContact O-N 3.34Å; K111-E114 PolarHBondContact O-N 2.96Å; E114-S116 VanDerWaalsContact C-N 3.35Å; E114-S116 PolarHBondContact O-N 3.31Å; E114-A117 PolarHBondContact O-N 3.26Å; E114-S118 PolarHBondContact O-N 2.96Å; E114-S118 PolarHBondContact O-OG 2.8Å |
| 115 | L | 92.8 | Very high | 91.9 | Very high | 105 Ų | 105 | 101.6 Ų | 101.6 | 55% | 0.55 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.7 | -36.4 | 177 | -72.8 | 172.6 | 0 | 0 | 0 | 112.4 | K111 I112 S118 H119 | K111-L115 HydrophobicContact CG-CD1 4.23Å; K111-L115 WeakPolarHBondContact O-CB 3.36Å; K111-L115 VanDerWaalsContact O-CG 3.29Å; K111-L115 WeakPolarHBondContact O-CG 3.3Å; K111-L115 PolarHBondContact O-N 2.87Å; I112-L115 PolarHBondContact O-N 3.33Å; L115-S118 WeakPolarHBondContact CA-OG 3.48Å; L115-S118 PolarHBondContact O-OG 2.73Å; L115-H119 VanDerWaalsContact O-CB 3.28Å; L115-H119 WeakPolarHBondContact O-CB 3.49Å; L115-H119 PolarHBondContact O-N 3.29Å |
| 116 | S | 92.6 | Very high | 92.6 | Very high | 64 Ų | 64 | 104.7 Ų | 104.7 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 175.3 | 64.7 | 0 | 0 | 0 | 0 | 111 | I112 R113 E114 H119 E120 | I112-S116 WeakPolarHBondContact O-CB 3.31Å; I112-S116 PolarHBondContact O-N 2.85Å; I112-S116 PolarHBondContact O-OG 3.18Å; R113-S116 WeakPolarHBondContact CA-OG 3.47Å; R113-S116 PolarHBondContact O-OG 2.85Å; E114-S116 VanDerWaalsContact C-N 3.35Å; E114-S116 PolarHBondContact O-N 3.31Å; S116-H119 PolarHBondContact O-N 3.07Å; S116-E120 WeakPolarHBondContact O-CB 3.45Å; S116-E120 PolarHBondContact O-N 2.65Å |
| 117 | A | 94.4 | Very high | 93 | Very high | 55 Ų | 55 | 107.2 Ų | 107.2 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R113 E114 E120 N121 | R113-A117 WeakPolarHBondContact O-CB 3.28Å; R113-A117 PolarHBondContact O-N 3.35Å; E114-A117 PolarHBondContact O-N 3.26Å; A117-E120 PolarHBondContact O-N 3.39Å; A117-N121 WeakPolarHBondContact O-CB 3.49Å; A117-N121 PolarHBondContact O-N 3.05Å |
| 118 | S | 95 | Very high | 93.6 | Very high | 55 Ų | 55 | 106.7 Ų | 106.7 | 39% | 0.385 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66 | -43.1 | 175 | 65.9 | 0 | 0 | 0 | 0 | 111.8 | E114 L115 E120 N121 D122 | E114-S118 PolarHBondContact O-N 2.96Å; E114-S118 PolarHBondContact O-OG 2.8Å; L115-S118 WeakPolarHBondContact CA-OG 3.48Å; L115-S118 PolarHBondContact O-OG 2.73Å; S118-E120 VanDerWaalsContact C-N 3.35Å; S118-E120 PolarHBondContact O-N 2.62Å; S118-N121 PolarHBondContact O-N 3.41Å; S118-D122 PolarHBondContact O-N 2.91Å |
| 119 | H | 94.9 | Very high | 94.1 | Very high | 127 Ų | 127 | 106.2 Ų | 106.2 | 59% | 0.588 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.8 | -39.7 | 177.2 | 179.8 | -89.4 | 0 | 0 | 0 | 112 | L115 S116 D122 M123 | L115-H119 VanDerWaalsContact O-CB 3.28Å; L115-H119 WeakPolarHBondContact O-CB 3.49Å; L115-H119 PolarHBondContact O-N 3.29Å; S116-H119 PolarHBondContact O-N 3.07Å; H119-D122 PolarHBondContact O-N 3.24Å; H119-M123 WeakPolarHBondContact O-CB 3.26Å; H119-M123 PolarHBondContact O-N 3.47Å |
| 120 | E | 95.6 | Very high | 94.6 | Very high | 103 Ų | 103 | 105.6 Ų | 105.6 | 48% | 0.481 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 175.4 | -172.3 | 173.1 | -170.5 | 0 | 0 | 111.9 | S116 A117 S118 M123 Q124 | S116-E120 WeakPolarHBondContact O-CB 3.45Å; S116-E120 PolarHBondContact O-N 2.65Å; A117-E120 PolarHBondContact O-N 3.39Å; S118-E120 VanDerWaalsContact C-N 3.35Å; S118-E120 PolarHBondContact O-N 2.62Å; E120-M123 PolarHBondContact O-N 3.31Å; E120-Q124 WeakPolarHBondContact O-CG 3.49Å; E120-Q124 PolarHBondContact O-N 3.33Å |
| 121 | N | 96.2 | Very high | 94.9 | Very high | 99 Ų | 99 | 102 Ų | 102 | 53% | 0.529 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 174.7 | -171.3 | -18.1 | 0 | 0 | 0 | 111.9 | A117 S118 M123 Q124 K125 | A117-N121 WeakPolarHBondContact O-CB 3.49Å; A117-N121 PolarHBondContact O-N 3.05Å; S118-N121 PolarHBondContact O-N 3.41Å; N121-M123 VanDerWaalsContact C-N 3.29Å; N121-M123 PolarHBondContact O-N 3.16Å; N121-Q124 PolarHBondContact O-N 3.44Å; N121-K125 WeakPolarHBondContact O-CB 3.48Å; N121-K125 PolarHBondContact O-N 3.01Å |
| 122 | D | 95.4 | Very high | 95.1 | Very high | 96 Ų | 96 | 98.1 Ų | 98.1 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 177.3 | -75.5 | -21.7 | 0 | 0 | 0 | 111.8 | S118 H119 K125 M126 | S118-D122 PolarHBondContact O-N 2.91Å; H119-D122 PolarHBondContact O-N 3.24Å; D122-K125 PolarHBondContact O-N 2.84Å; D122-M126 WeakPolarHBondContact O-CG 3.36Å; D122-M126 PolarHBondContact O-N 3.12Å |
| 123 | M | 95.3 | Very high | 95.3 | Very high | 96 Ų | 96 | 96 Ų | 96 | 47% | 0.473 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 175.3 | -173.9 | 177.8 | 63.8 | 0 | 0 | 111.7 | H119 E120 N121 K125 M126 E127 | H119-M123 WeakPolarHBondContact O-CB 3.26Å; H119-M123 PolarHBondContact O-N 3.47Å; E120-M123 PolarHBondContact O-N 3.31Å; N121-M123 VanDerWaalsContact C-N 3.29Å; N121-M123 PolarHBondContact O-N 3.16Å; M123-K125 VanDerWaalsContact C-N 3.29Å; M123-K125 PolarHBondContact O-N 3.02Å; M123-M126 PolarHBondContact O-N 3.4Å; M123-E127 WeakPolarHBondContact O-CB 3.33Å; M123-E127 PolarHBondContact O-N 3.01Å |
| 124 | Q | 95.9 | Very high | 95.5 | Very high | 103 Ų | 103 | 94.2 Ų | 94.2 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -38.9 | 175 | -72.7 | 175.5 | 5 | 0 | 0 | 111.8 | E120 N121 E127 T128 | E120-Q124 WeakPolarHBondContact O-CG 3.49Å; E120-Q124 PolarHBondContact O-N 3.33Å; N121-Q124 PolarHBondContact O-N 3.44Å; Q124-E127 PolarHBondContact O-N 3.24Å; Q124-T128 WeakPolarHBondContact O-CG2 3.46Å; Q124-T128 PolarHBondContact O-N 3.28Å; Q124-T128 PolarHBondContact O-OG1 3.46Å; Q124-T128 VanDerWaalsContact O-OG1 3.09Å |
| 125 | K | 96.9 | Very high | 95.7 | Very high | 117 Ų | 117 | 94.6 Ų | 94.6 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 175.8 | -172.8 | 179.3 | 178 | -176.5 | 0 | 111.9 | N121 D122 M123 E127 T128 Q129 | N121-K125 WeakPolarHBondContact O-CB 3.48Å; N121-K125 PolarHBondContact O-N 3.01Å; D122-K125 PolarHBondContact O-N 2.84Å; M123-K125 VanDerWaalsContact C-N 3.29Å; M123-K125 PolarHBondContact O-N 3.02Å; K125-E127 VanDerWaalsContact C-N 3.34Å; K125-T128 WeakPolarHBondContact CA-OG1 3.48Å; K125-T128 PolarHBondContact O-OG1 3.25Å; K125-Q129 WeakPolarHBondContact O-CB 3.32Å; K125-Q129 VanDerWaalsContact O-CG 3.3Å; K125-Q129 WeakPolarHBondContact O-CG 3.37Å; K125-Q129 PolarHBondContact O-N 3.13Å |
| 126 | M | 94.5 | Very high | 95.9 | Very high | 124 Ų | 124 | 95.7 Ų | 95.7 | 61% | 0.611 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.8 | -38.3 | 174.4 | -71.1 | -144.6 | -60.9 | 0 | 0 | 112.1 | D122 M123 Q129 L130 | D122-M126 WeakPolarHBondContact O-CG 3.36Å; D122-M126 PolarHBondContact O-N 3.12Å; M123-M126 PolarHBondContact O-N 3.4Å; M126-Q129 PolarHBondContact O-N 3.04Å; M126-L130 WeakPolarHBondContact O-CB 3.43Å; M126-L130 WeakPolarHBondContact O-CG 3.43Å; M126-L130 PolarHBondContact O-N 3.12Å |
| 127 | E | 95.5 | Very high | 96.1 | Very high | 118 Ų | 118 | 96.6 Ų | 96.6 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.4 | -46.2 | 177.5 | -171.7 | 169.4 | -162.2 | 0 | 0 | 111.8 | M123 Q124 K125 Q129 L130 C131 | M123-E127 WeakPolarHBondContact O-CB 3.33Å; M123-E127 PolarHBondContact O-N 3.01Å; Q124-E127 PolarHBondContact O-N 3.24Å; K125-E127 VanDerWaalsContact C-N 3.34Å; E127-Q129 VanDerWaalsContact C-N 3.32Å; E127-Q129 PolarHBondContact O-N 3.4Å; E127-L130 PolarHBondContact O-N 3.31Å; E127-C131 PolarHBondContact O-N 3.45Å; E127-C131 PolarHBondContact O-SG 3.07Å; E127-C131 VanDerWaalsContact O-SG 3.37Å |
| 128 | T | 96.6 | Very high | 96.3 | Very high | 92 Ų | 92 | 98.1 Ų | 98.1 | 56% | 0.564 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.1 | -39.2 | 174.9 | 52.9 | 0 | 0 | 0 | 0 | 112.4 | Q124 K125 S132 | Q124-T128 WeakPolarHBondContact O-CG2 3.46Å; Q124-T128 PolarHBondContact O-N 3.28Å; Q124-T128 PolarHBondContact O-OG1 3.46Å; Q124-T128 VanDerWaalsContact O-OG1 3.09Å; K125-T128 WeakPolarHBondContact CA-OG1 3.48Å; K125-T128 PolarHBondContact O-OG1 3.25Å; T128-S132 WeakPolarHBondContact O-CB 3.4Å; T128-S132 PolarHBondContact O-N 2.86Å |
| 129 | Q | 97.3 | Very high | 96.4 | Very high | 105 Ų | 105 | 98.3 Ų | 98.3 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 173 | -75 | -179.5 | -7.8 | 0 | 0 | 111.5 | K125 M126 E127 C131 S132 T133 | K125-Q129 WeakPolarHBondContact O-CB 3.32Å; K125-Q129 VanDerWaalsContact O-CG 3.3Å; K125-Q129 WeakPolarHBondContact O-CG 3.37Å; K125-Q129 PolarHBondContact O-N 3.13Å; M126-Q129 PolarHBondContact O-N 3.04Å; E127-Q129 VanDerWaalsContact C-N 3.32Å; E127-Q129 PolarHBondContact O-N 3.4Å; Q129-C131 PolarHBondContact O-N 3.48Å; Q129-S132 PolarHBondContact O-N 2.95Å; Q129-S132 VanDerWaalsContact O-N 3.16Å; Q129-S132 PolarHBondContact O-OG 3.27Å; Q129-T133 VanDerWaalsContact O-CG2 3.3Å; Q129-T133 WeakPolarHBondContact O-CG2 3.43Å; Q129-T133 PolarHBondContact O-N 3.12Å; Q129-T133 PolarHBondContact O-OG1 2.8Å |
| 130 | L | 97.1 | Very high | 96.5 | Very high | 100 Ų | 100 | 96.6 Ų | 96.6 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.2 | -48.9 | 176.3 | -82.6 | 170.1 | 0 | 0 | 0 | 111.5 | M126 E127 S132 T133 H134 | M126-L130 WeakPolarHBondContact O-CB 3.43Å; M126-L130 WeakPolarHBondContact O-CG 3.43Å; M126-L130 PolarHBondContact O-N 3.12Å; E127-L130 PolarHBondContact O-N 3.31Å; L130-S132 VanDerWaalsContact C-N 3.3Å; L130-S132 PolarHBondContact O-N 3.24Å; L130-T133 WeakPolarHBondContact CA-OG1 2.89Å; L130-T133 PolarHBondContact O-N 3.22Å; L130-T133 PolarHBondContact O-OG1 3.07Å; L130-H134 WeakPolarHBondContact O-CB 3.25Å; L130-H134 PolarHBondContact O-CD2 3.38Å; L130-H134 PolarHBondContact O-N 3.02Å |
| 131 | C | 96.5 | Very high | 96.6 | Very high | 70 Ų | 70 | 97.7 Ų | 97.7 | 47% | 0.473 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.2 | -43.7 | 175.2 | -68.9 | 0 | 0 | 0 | 0 | 111.9 | E127 Q129 T133 H134 L135 | E127-C131 PolarHBondContact O-N 3.45Å; E127-C131 PolarHBondContact O-SG 3.07Å; E127-C131 VanDerWaalsContact O-SG 3.37Å; Q129-C131 PolarHBondContact O-N 3.48Å; C131-T133 PolarHBondContact O-N 3Å; C131-H134 PolarHBondContact O-N 3.49Å; C131-L135 WeakPolarHBondContact O-CG 3.31Å; C131-L135 PolarHBondContact O-N 3.28Å |
| 132 | S | 97.3 | Very high | 96.7 | Very high | 54 Ų | 54 | 98.2 Ų | 98.2 | 38% | 0.378 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 178 | 77.3 | 0 | 0 | 0 | 0 | 112.6 | T128 Q129 L130 L135 Q136 | T128-S132 WeakPolarHBondContact O-CB 3.4Å; T128-S132 PolarHBondContact O-N 2.86Å; Q129-S132 PolarHBondContact O-N 2.95Å; Q129-S132 VanDerWaalsContact O-N 3.16Å; Q129-S132 PolarHBondContact O-OG 3.27Å; L130-S132 VanDerWaalsContact C-N 3.3Å; L130-S132 PolarHBondContact O-N 3.24Å; S132-L135 PolarHBondContact O-N 3.05Å; S132-Q136 WeakPolarHBondContact O-CG 3.44Å; S132-Q136 PolarHBondContact O-N 2.95Å |
| 133 | T | 95.8 | Very high | 96.8 | Very high | 66 Ų | 66 | 99.2 Ų | 99.2 | 41% | 0.405 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.4 | -35.9 | 178.9 | 59.3 | 0 | 0 | 0 | 0 | 111.5 | Q129 L130 C131 Q136 L137 | Q129-T133 VanDerWaalsContact O-CG2 3.3Å; Q129-T133 WeakPolarHBondContact O-CG2 3.43Å; Q129-T133 PolarHBondContact O-N 3.12Å; Q129-T133 PolarHBondContact O-OG1 2.8Å; L130-T133 WeakPolarHBondContact CA-OG1 2.89Å; L130-T133 PolarHBondContact O-N 3.22Å; L130-T133 PolarHBondContact O-OG1 3.07Å; C131-T133 PolarHBondContact O-N 3Å; T133-Q136 PolarHBondContact O-N 2.9Å; T133-L137 VanDerWaalsContact O-CB 3.26Å; T133-L137 WeakPolarHBondContact O-CB 3.46Å; T133-L137 PolarHBondContact O-N 3.36Å |
| 134 | H | 97.3 | Very high | 96.9 | Very high | 112 Ų | 112 | 99.5 Ų | 99.5 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 173.4 | -90.7 | -68 | 0 | 0 | 0 | 111.5 | L130 C131 Q136 L137 D138 | L130-H134 WeakPolarHBondContact O-CB 3.25Å; L130-H134 PolarHBondContact O-CD2 3.38Å; L130-H134 PolarHBondContact O-N 3.02Å; C131-H134 PolarHBondContact O-N 3.49Å; H134-Q136 VanDerWaalsContact C-N 3.35Å; H134-Q136 PolarHBondContact O-N 3.06Å; H134-L137 PolarHBondContact O-N 3.32Å; H134-D138 PolarHBondContact O-N 2.95Å |
| 135 | L | 97.5 | Very high | 96.9 | Very high | 125 Ų | 125 | 97.1 Ų | 97.1 | 65% | 0.654 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62 | -41.2 | 176.8 | -70.5 | 172.2 | 0 | 0 | 0 | 112.4 | C131 S132 D138 S139 | C131-L135 WeakPolarHBondContact O-CG 3.31Å; C131-L135 PolarHBondContact O-N 3.28Å; S132-L135 PolarHBondContact O-N 3.05Å; L135-D138 PolarHBondContact O-N 3.33Å; L135-S139 WeakPolarHBondContact O-CB 3.33Å; L135-S139 PolarHBondContact O-N 3.11Å |
| 136 | Q | 97.3 | Very high | 96.9 | Very high | 128 Ų | 128 | 95 Ų | 95 | 60% | 0.598 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.6 | -42 | 174.8 | -73.9 | 177.5 | -3.5 | 0 | 0 | 111.9 | S132 T133 H134 D138 S139 V140 | S132-Q136 WeakPolarHBondContact O-CG 3.44Å; S132-Q136 PolarHBondContact O-N 2.95Å; T133-Q136 PolarHBondContact O-N 2.9Å; H134-Q136 VanDerWaalsContact C-N 3.35Å; H134-Q136 PolarHBondContact O-N 3.06Å; Q136-D138 VanDerWaalsContact C-N 3.34Å; Q136-S139 WeakPolarHBondContact O-CB 3.45Å; Q136-S139 PolarHBondContact O-N 3.45Å; Q136-V140 WeakPolarHBondContact O-CG2 3.42Å; Q136-V140 PolarHBondContact O-N 2.96Å |
| 137 | L | 96.8 | Very high | 96.9 | Very high | 84 Ų | 84 | 91.6 Ų | 91.6 | 44% | 0.44 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 178.8 | -175.6 | 149.5 | 0 | 0 | 0 | 111.4 | T133 H134 V140 K141 | T133-L137 VanDerWaalsContact O-CB 3.26Å; T133-L137 WeakPolarHBondContact O-CB 3.46Å; T133-L137 PolarHBondContact O-N 3.36Å; H134-L137 PolarHBondContact O-N 3.32Å; L137-V140 PolarHBondContact O-N 3.2Å; L137-K141 HydrophobicContact CD2-CD 3.75Å; L137-K141 HydrophobicContact CD2-CG 4.33Å; L137-K141 WeakPolarHBondContact O-CB 3.43Å; L137-K141 VanDerWaalsContact O-CG 3.31Å; L137-K141 WeakPolarHBondContact O-CG 3.48Å; L137-K141 PolarHBondContact O-N 3.36Å |
| 138 | D | 97.6 | Very high | 97 | Very high | 86 Ų | 86 | 91 Ų | 91 | 46% | 0.46 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67 | -39 | 174.7 | -69.8 | -21.9 | 0 | 0 | 0 | 111.6 | H134 L135 Q136 K141 Q142 | H134-D138 PolarHBondContact O-N 2.95Å; L135-D138 PolarHBondContact O-N 3.33Å; Q136-D138 VanDerWaalsContact C-N 3.34Å; D138-K141 PolarHBondContact O-N 3Å; D138-Q142 PolarHBondContact O-N 3.12Å |
| 139 | S | 97.6 | Very high | 97 | Very high | 60 Ų | 60 | 92.5 Ų | 92.5 | 42% | 0.42 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60 | -49.6 | 172.4 | -168.1 | 0 | 0 | 0 | 0 | 111.9 | L135 Q136 K141 Q142 E143 | L135-S139 WeakPolarHBondContact O-CB 3.33Å; L135-S139 PolarHBondContact O-N 3.11Å; Q136-S139 WeakPolarHBondContact O-CB 3.45Å; Q136-S139 PolarHBondContact O-N 3.45Å; S139-K141 VanDerWaalsContact C-N 3.32Å; S139-K141 PolarHBondContact O-N 3.03Å; S139-Q142 WeakPolarHBondContact O-CB 3.23Å; S139-Q142 PolarHBondContact O-N 3.47Å; S139-Q142 VanDerWaalsContact O-N 3.16Å; S139-E143 WeakPolarHBondContact O-CG 3.42Å; S139-E143 PolarHBondContact O-N 2.88Å |
| 140 | V | 97.1 | Very high | 96.9 | Very high | 90 Ų | 90 | 94 Ų | 94 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -37.4 | 179.7 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | Q136 L137 Q142 E143 L144 | Q136-V140 WeakPolarHBondContact O-CG2 3.42Å; Q136-V140 PolarHBondContact O-N 2.96Å; L137-V140 PolarHBondContact O-N 3.2Å; V140-Q142 VanDerWaalsContact C-N 3.32Å; V140-Q142 PolarHBondContact O-N 2.91Å; V140-E143 PolarHBondContact O-N 3.47Å; V140-L144 WeakPolarHBondContact O-CB 3.35Å; V140-L144 PolarHBondContact O-N 3.35Å |
| 141 | K | 97.4 | Very high | 96.8 | Very high | 126 Ų | 126 | 94.1 Ų | 94.1 | 55% | 0.548 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -41 | 173.5 | -81.5 | 177.6 | 176.4 | 167.4 | 0 | 112 | L137 D138 S139 L144 A145 | L137-K141 HydrophobicContact CD2-CD 3.75Å; L137-K141 HydrophobicContact CD2-CG 4.33Å; L137-K141 WeakPolarHBondContact O-CB 3.43Å; L137-K141 VanDerWaalsContact O-CG 3.31Å; L137-K141 WeakPolarHBondContact O-CG 3.48Å; L137-K141 PolarHBondContact O-N 3.36Å; D138-K141 PolarHBondContact O-N 3Å; S139-K141 VanDerWaalsContact C-N 3.32Å; S139-K141 PolarHBondContact O-N 3.03Å; K141-L144 PolarHBondContact O-N 3.38Å; K141-A145 PolarHBondContact O-N 2.79Å |
| 142 | Q | 97.8 | Very high | 96.7 | Very high | 110 Ų | 110 | 94.9 Ų | 94.9 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.8 | -47 | 176.9 | -173.8 | 59.8 | 44 | 0 | 0 | 111.1 | D138 S139 V140 L144 A145 D146 | D138-Q142 PolarHBondContact O-N 3.12Å; S139-Q142 WeakPolarHBondContact O-CB 3.23Å; S139-Q142 PolarHBondContact O-N 3.47Å; S139-Q142 VanDerWaalsContact O-N 3.16Å; V140-Q142 VanDerWaalsContact C-N 3.32Å; V140-Q142 PolarHBondContact O-N 2.91Å; Q142-L144 VanDerWaalsContact C-N 3.26Å; Q142-L144 PolarHBondContact O-N 3.31Å; Q142-A145 WeakPolarHBondContact O-CB 3.13Å; Q142-A145 PolarHBondContact O-N 3.32Å; Q142-A145 VanDerWaalsContact O-N 3.1Å; Q142-D146 PolarHBondContact NE2-OD1 2.63Å; Q142-D146 VanDerWaalsContact NE2-OD1 3.07Å; Q142-D146 PolarHBondContact O-N 2.93Å |
| 143 | E | 97.1 | Very high | 96.7 | Very high | 118 Ų | 118 | 97 Ų | 97 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.6 | -38.9 | 175.9 | -72.8 | 174.3 | -159.2 | 0 | 0 | 112.1 | S139 V140 D146 A147 | S139-E143 WeakPolarHBondContact O-CG 3.42Å; S139-E143 PolarHBondContact O-N 2.88Å; V140-E143 PolarHBondContact O-N 3.47Å; E143-D146 PolarHBondContact O-N 3.31Å; E143-A147 WeakPolarHBondContact O-CB 3.44Å; E143-A147 PolarHBondContact O-N 3.47Å |
| 144 | L | 97.1 | Very high | 96.6 | Very high | 102 Ų | 102 | 97.9 Ų | 97.9 | 53% | 0.534 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 175.6 | -177.2 | 65.4 | 0 | 0 | 0 | 111.9 | V140 K141 Q142 A147 H148 | V140-L144 WeakPolarHBondContact O-CB 3.35Å; V140-L144 PolarHBondContact O-N 3.35Å; K141-L144 PolarHBondContact O-N 3.38Å; Q142-L144 VanDerWaalsContact C-N 3.26Å; Q142-L144 PolarHBondContact O-N 3.31Å; L144-A147 PolarHBondContact O-N 3.14Å; L144-H148 PolarHBondContact O-CD2 3.04Å; L144-H148 VanDerWaalsContact O-CD2 3.24Å; L144-H148 PolarHBondContact O-N 3.37Å |
| 145 | A | 97.1 | Very high | 96.5 | Very high | 52 Ų | 52 | 99 Ų | 99 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K141 Q142 H148 L149 | K141-A145 PolarHBondContact O-N 2.79Å; Q142-A145 WeakPolarHBondContact O-CB 3.13Å; Q142-A145 PolarHBondContact O-N 3.32Å; Q142-A145 VanDerWaalsContact O-N 3.1Å; A145-H148 PolarHBondContact O-N 3.45Å; A145-L149 PolarHBondContact O-N 3.01Å |
| 146 | D | 97.3 | Very high | 96.4 | Very high | 74 Ų | 74 | 97.8 Ų | 97.8 | 40% | 0.396 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 177.9 | -66.7 | -17.9 | 0 | 0 | 0 | 111.4 | Q142 E143 H148 L149 Q150 | Q142-D146 PolarHBondContact NE2-OD1 2.63Å; Q142-D146 VanDerWaalsContact NE2-OD1 3.07Å; Q142-D146 PolarHBondContact O-N 2.93Å; E143-D146 PolarHBondContact O-N 3.31Å; D146-H148 VanDerWaalsContact C-N 3.35Å; D146-H148 PolarHBondContact O-N 3.33Å; D146-L149 PolarHBondContact O-N 3.43Å; D146-Q150 WeakPolarHBondContact O-CG 3.47Å; D146-Q150 PolarHBondContact O-N 3.16Å |
| 147 | A | 95 | Very high | 96.2 | Very high | 52 Ų | 52 | 96.7 Ų | 96.7 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E143 L144 Q150 L151 | E143-A147 WeakPolarHBondContact O-CB 3.44Å; E143-A147 PolarHBondContact O-N 3.47Å; L144-A147 PolarHBondContact O-N 3.14Å; A147-Q150 PolarHBondContact O-N 2.88Å; A147-L151 WeakPolarHBondContact O-CB 3.25Å; A147-L151 PolarHBondContact O-N 3.02Å |
| 148 | H | 95.7 | Very high | 96 | Very high | 104 Ų | 104 | 96 Ų | 96 | 48% | 0.481 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 173.8 | -90.3 | -63.9 | 0 | 0 | 0 | 112.1 | L144 A145 D146 Q150 L151 D152 | L144-H148 PolarHBondContact O-CD2 3.04Å; L144-H148 VanDerWaalsContact O-CD2 3.24Å; L144-H148 PolarHBondContact O-N 3.37Å; A145-H148 PolarHBondContact O-N 3.45Å; D146-H148 VanDerWaalsContact C-N 3.35Å; D146-H148 PolarHBondContact O-N 3.33Å; H148-Q150 VanDerWaalsContact C-N 3.34Å; H148-Q150 PolarHBondContact O-N 2.95Å; H148-L151 PolarHBondContact O-N 3.26Å; H148-D152 PolarHBondContact O-N 3.28Å |
| 149 | L | 97.1 | Very high | 95.8 | Very high | 124 Ų | 124 | 94.3 Ų | 94.3 | 65% | 0.649 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.4 | -41.1 | 177.7 | -174.2 | 67.8 | 0 | 0 | 0 | 112 | A145 D146 D152 N153 | A145-L149 PolarHBondContact O-N 3.01Å; D146-L149 PolarHBondContact O-N 3.43Å; L149-D152 PolarHBondContact O-N 3.42Å; L149-N153 WeakPolarHBondContact O-CB 3.35Å; L149-N153 PolarHBondContact O-N 3.17Å |
| 150 | Q | 96 | Very high | 95.6 | Very high | 136 Ų | 136 | 95 Ų | 95 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.1 | -41 | 175.6 | -70.7 | -178.7 | 20.6 | 0 | 0 | 112 | D146 A147 H148 N153 T154 | D146-Q150 WeakPolarHBondContact O-CG 3.47Å; D146-Q150 PolarHBondContact O-N 3.16Å; A147-Q150 PolarHBondContact O-N 2.88Å; H148-Q150 VanDerWaalsContact C-N 3.34Å; H148-Q150 PolarHBondContact O-N 2.95Å; Q150-N153 PolarHBondContact O-N 3.28Å; Q150-T154 WeakPolarHBondContact O-CG2 3.44Å; Q150-T154 PolarHBondContact O-N 3.39Å; Q150-T154 PolarHBondContact O-OG1 2.97Å; Q150-T154 VanDerWaalsContact O-OG1 3.07Å |
| 151 | L | 94.9 | Very high | 95.4 | Very high | 104 Ų | 104 | 94.8 Ų | 94.8 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 177 | -177.4 | 62.8 | 0 | 0 | 0 | 111.4 | A147 H148 N153 T154 K155 | A147-L151 WeakPolarHBondContact O-CB 3.25Å; A147-L151 PolarHBondContact O-N 3.02Å; H148-L151 PolarHBondContact O-N 3.26Å; L151-N153 VanDerWaalsContact C-N 3.33Å; L151-N153 PolarHBondContact O-N 3.27Å; L151-T154 WeakPolarHBondContact CA-OG1 3.36Å; L151-T154 PolarHBondContact O-N 3.15Å; L151-T154 PolarHBondContact O-OG1 3.12Å; L151-K155 VanDerWaalsContact O-CB 3.3Å; L151-K155 WeakPolarHBondContact O-CB 3.49Å; L151-K155 PolarHBondContact O-N 3.43Å |
| 152 | D | 94.8 | Very high | 95.2 | Very high | 86 Ų | 86 | 93.6 Ų | 93.6 | 46% | 0.46 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 177.4 | -78.1 | -20.1 | 0 | 0 | 0 | 111.8 | H148 L149 K155 N156 | H148-D152 PolarHBondContact O-N 3.28Å; L149-D152 PolarHBondContact O-N 3.42Å; D152-K155 PolarHBondContact O-N 2.95Å; D152-N156 WeakPolarHBondContact O-CB 3.48Å; D152-N156 VanDerWaalsContact O-CG 3.23Å; D152-N156 PolarHBondContact O-N 2.92Å; D152-N156 PolarHBondContact O-ND2 2.94Å |
| 153 | N | 95.8 | Very high | 94.9 | Very high | 99 Ų | 99 | 93.1 Ų | 93.1 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 175.6 | -167.5 | 19.5 | 0 | 0 | 0 | 112.1 | L149 Q150 L151 K155 N156 M157 | L149-N153 WeakPolarHBondContact O-CB 3.35Å; L149-N153 PolarHBondContact O-N 3.17Å; Q150-N153 PolarHBondContact O-N 3.28Å; L151-N153 VanDerWaalsContact C-N 3.33Å; L151-N153 PolarHBondContact O-N 3.27Å; N153-K155 VanDerWaalsContact C-N 3.33Å; N153-K155 PolarHBondContact O-N 3.26Å; N153-N156 PolarHBondContact O-N 3.46Å; N153-M157 WeakPolarHBondContact O-CG 3.47Å; N153-M157 PolarHBondContact O-N 3.17Å |
| 154 | T | 94.8 | Very high | 94.6 | Very high | 84 Ų | 84 | 90.3 Ų | 90.3 | 52% | 0.515 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -36.2 | 176.9 | 54.8 | 0 | 0 | 0 | 0 | 112.2 | Q150 L151 M157 S158 | Q150-T154 WeakPolarHBondContact O-CG2 3.44Å; Q150-T154 PolarHBondContact O-N 3.39Å; Q150-T154 PolarHBondContact O-OG1 2.97Å; Q150-T154 VanDerWaalsContact O-OG1 3.07Å; L151-T154 WeakPolarHBondContact CA-OG1 3.36Å; L151-T154 PolarHBondContact O-N 3.15Å; L151-T154 PolarHBondContact O-OG1 3.12Å; T154-M157 PolarHBondContact O-N 3.32Å; T154-S158 WeakPolarHBondContact O-CB 3.42Å; T154-S158 PolarHBondContact O-N 2.74Å; T154-S158 PolarHBondContact O-OG 2.86Å |
| 155 | K | 95.4 | Very high | 94.4 | Very high | 136 Ų | 136 | 88.5 Ų | 88.5 | 59% | 0.591 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.5 | -43.2 | 173.3 | -173.7 | 179.7 | 177.6 | -175.5 | 0 | 111.6 | L151 D152 N153 S158 A159 | L151-K155 VanDerWaalsContact O-CB 3.3Å; L151-K155 WeakPolarHBondContact O-CB 3.49Å; L151-K155 PolarHBondContact O-N 3.43Å; D152-K155 PolarHBondContact O-N 2.95Å; N153-K155 VanDerWaalsContact C-N 3.33Å; N153-K155 PolarHBondContact O-N 3.26Å; K155-S158 WeakPolarHBondContact CA-OG 3.45Å; K155-S158 PolarHBondContact O-OG 3.04Å; K155-A159 WeakPolarHBondContact O-CB 3.46Å; K155-A159 PolarHBondContact O-N 3.24Å |
| 156 | N | 94 | Very high | 94.2 | Very high | 99 Ų | 99 | 90.7 Ų | 90.7 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.7 | -44.4 | 176.9 | -70.8 | -19.8 | 0 | 0 | 0 | 111.6 | D152 N153 A159 T160 | D152-N156 WeakPolarHBondContact O-CB 3.48Å; D152-N156 VanDerWaalsContact O-CG 3.23Å; D152-N156 PolarHBondContact O-N 2.92Å; D152-N156 PolarHBondContact O-ND2 2.94Å; N153-N156 PolarHBondContact O-N 3.46Å; N156-A159 PolarHBondContact O-N 3.44Å; N156-T160 WeakPolarHBondContact O-CG2 3.3Å; N156-T160 PolarHBondContact O-N 3Å; N156-T160 PolarHBondContact O-OG1 2.52Å |
| 157 | M | 94.1 | Very high | 94 | Very high | 105 Ų | 105 | 92.3 Ų | 92.3 | 52% | 0.517 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 177.6 | -69.7 | -70.3 | 84 | 0 | 0 | 113.6 | N153 T154 T160 T161 | N153-M157 WeakPolarHBondContact O-CG 3.47Å; N153-M157 PolarHBondContact O-N 3.17Å; T154-M157 PolarHBondContact O-N 3.32Å; M157-T160 WeakPolarHBondContact CA-OG1 3.42Å; M157-T160 HydrophobicContact CE-CG2 4.48Å; M157-T160 PolarHBondContact O-OG1 2.87Å; M157-T161 WeakPolarHBondContact O-CB 3.33Å; M157-T161 PolarHBondContact O-N 3.1Å; M157-T161 PolarHBondContact O-OG1 3.47Å |
| 158 | S | 92.6 | Very high | 94 | Very high | 70 Ų | 70 | 95.3 Ų | 95.3 | 49% | 0.49 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.3 | -39.6 | 175.2 | 53.4 | 0 | 0 | 0 | 0 | 111.7 | T154 K155 T161 L162 | T154-S158 WeakPolarHBondContact O-CB 3.42Å; T154-S158 PolarHBondContact O-N 2.74Å; T154-S158 PolarHBondContact O-OG 2.86Å; K155-S158 WeakPolarHBondContact CA-OG 3.45Å; K155-S158 PolarHBondContact O-OG 3.04Å; S158-T161 PolarHBondContact O-N 3.49Å; S158-L162 WeakPolarHBondContact O-CB 3.2Å; S158-L162 PolarHBondContact O-N 3.48Å |
| 159 | A | 93.6 | Very high | 93.9 | Very high | 49 Ų | 49 | 94.4 Ų | 94.4 | 41% | 0.405 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K155 N156 T161 L162 L163 | K155-A159 WeakPolarHBondContact O-CB 3.46Å; K155-A159 PolarHBondContact O-N 3.24Å; N156-A159 PolarHBondContact O-N 3.44Å; A159-T161 VanDerWaalsContact C-N 3.35Å; A159-T161 PolarHBondContact O-N 3.02Å; A159-L162 PolarHBondContact O-N 2.87Å; A159-L163 WeakPolarHBondContact O-CG 3.37Å; A159-L163 PolarHBondContact O-N 2.91Å; A159-L163 VanDerWaalsContact O-N 3.08Å |
| 160 | T | 92.9 | Very high | 93.7 | Very high | 74 Ų | 74 | 93 Ų | 93 | 45% | 0.454 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 176.8 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | N156 M157 A164 | N156-T160 WeakPolarHBondContact O-CG2 3.3Å; N156-T160 PolarHBondContact O-N 3Å; N156-T160 PolarHBondContact O-OG1 2.52Å; M157-T160 WeakPolarHBondContact CA-OG1 3.42Å; M157-T160 HydrophobicContact CE-CG2 4.48Å; M157-T160 PolarHBondContact O-OG1 2.87Å; T160-A164 PolarHBondContact O-N 2.92Å; T160-A164 VanDerWaalsContact O-N 3.11Å |
| 161 | T | 93.1 | Very high | 93.8 | Very high | 86 Ų | 86 | 92.2 Ų | 92.2 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 177.4 | -54.6 | 0 | 0 | 0 | 0 | 110.8 | M157 S158 A159 A164 T165 | M157-T161 WeakPolarHBondContact O-CB 3.33Å; M157-T161 PolarHBondContact O-N 3.1Å; M157-T161 PolarHBondContact O-OG1 3.47Å; S158-T161 PolarHBondContact O-N 3.49Å; A159-T161 VanDerWaalsContact C-N 3.35Å; A159-T161 PolarHBondContact O-N 3.02Å; T161-A164 PolarHBondContact O-N 2.88Å; T161-T165 WeakPolarHBondContact O-CG2 3.47Å; T161-T165 PolarHBondContact O-N 3.47Å; T161-T165 PolarHBondContact O-OG1 3.21Å |
| 162 | L | 93.7 | Very high | 93.8 | Very high | 102 Ų | 102 | 91.6 Ų | 91.6 | 53% | 0.534 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.1 | -48.5 | 177.6 | -171.3 | 157.8 | 0 | 0 | 0 | 111 | S158 A159 A164 T165 E166 | S158-L162 WeakPolarHBondContact O-CB 3.2Å; S158-L162 PolarHBondContact O-N 3.48Å; A159-L162 PolarHBondContact O-N 2.87Å; L162-A164 VanDerWaalsContact C-N 3.33Å; L162-A164 PolarHBondContact O-N 2.95Å; L162-T165 PolarHBondContact O-N 3.34Å; L162-T165 PolarHBondContact O-OG1 2.84Å; L162-E166 WeakPolarHBondContact O-CB 3.33Å; L162-E166 PolarHBondContact O-N 2.91Å |
| 163 | L | 90.9 | Very high | 93.9 | Very high | 100 Ų | 100 | 93.4 Ų | 93.4 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59 | -43.5 | 177.8 | -70.4 | 173.1 | 0 | 0 | 0 | 112 | A159 T165 E166 D167 | A159-L163 WeakPolarHBondContact O-CG 3.37Å; A159-L163 PolarHBondContact O-N 2.91Å; A159-L163 VanDerWaalsContact O-N 3.08Å; L163-T165 VanDerWaalsContact C-N 3.35Å; L163-T165 PolarHBondContact O-N 2.83Å; L163-E166 PolarHBondContact O-N 3.04Å; L163-D167 PolarHBondContact O-N 3.14Å |
| 164 | A | 90.6 | Very high | 93.9 | Very high | 59 Ų | 59 | 90.9 Ų | 90.9 | 49% | 0.488 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T160 T161 L162 E168 | T160-A164 PolarHBondContact O-N 2.92Å; T160-A164 VanDerWaalsContact O-N 3.11Å; T161-A164 PolarHBondContact O-N 2.88Å; L162-A164 VanDerWaalsContact C-N 3.33Å; L162-A164 PolarHBondContact O-N 2.95Å; A164-E168 PolarHBondContact O-N 2.78Å; A164-E168 VanDerWaalsContact O-N 3.14Å |
| 165 | T | 93.5 | Very high | 94 | Very high | 64 Ų | 64 | 91.8 Ų | 91.8 | 39% | 0.393 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70 | -31.6 | 176.4 | 59.2 | 0 | 0 | 0 | 0 | 112.8 | T161 L162 L163 E168 I169 | T161-T165 WeakPolarHBondContact O-CG2 3.47Å; T161-T165 PolarHBondContact O-N 3.47Å; T161-T165 PolarHBondContact O-OG1 3.21Å; L162-T165 PolarHBondContact O-N 3.34Å; L162-T165 PolarHBondContact O-OG1 2.84Å; L163-T165 VanDerWaalsContact C-N 3.35Å; L163-T165 PolarHBondContact O-N 2.83Å; T165-E168 PolarHBondContact O-N 2.79Å; T165-I169 WeakPolarHBondContact O-CD1 3.43Å; T165-I169 VanDerWaalsContact O-CG1 3.24Å; T165-I169 WeakPolarHBondContact O-CG1 3.37Å; T165-I169 PolarHBondContact O-N 2.88Å |
| 166 | E | 92.6 | Very high | 94 | Very high | 97 Ų | 97 | 89.4 Ų | 89.4 | 45% | 0.453 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.4 | -44.5 | 176.3 | -175 | 170 | -168.8 | 0 | 0 | 111 | L162 L163 E168 I169 L170 | L162-E166 WeakPolarHBondContact O-CB 3.33Å; L162-E166 PolarHBondContact O-N 2.91Å; L163-E166 PolarHBondContact O-N 3.04Å; E166-E168 VanDerWaalsContact C-N 3.34Å; E166-E168 PolarHBondContact O-N 2.98Å; E166-I169 PolarHBondContact O-N 2.71Å; E166-L170 WeakPolarHBondContact O-CG 3.41Å; E166-L170 PolarHBondContact O-N 2.95Å |
| 167 | D | 92.9 | Very high | 94.1 | Very high | 108 Ų | 108 | 92.2 Ų | 92.2 | 58% | 0.578 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60 | -42.6 | 174.4 | -77.2 | -19.1 | 0 | 0 | 0 | 111.7 | L163 L170 Q171 | L163-D167 PolarHBondContact O-N 3.14Å; D167-L170 PolarHBondContact O-N 3.37Å; D167-Q171 PolarHBondContact O-N 3.03Å |
| 168 | E | 95.5 | Very high | 94.3 | Very high | 115 Ų | 115 | 89.6 Ų | 89.6 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 175.3 | -173.4 | 179.7 | -175.3 | 0 | 0 | 111.8 | A164 T165 E166 L170 Q171 L172 | A164-E168 PolarHBondContact O-N 2.78Å; A164-E168 VanDerWaalsContact O-N 3.14Å; T165-E168 PolarHBondContact O-N 2.79Å; E166-E168 VanDerWaalsContact C-N 3.34Å; E166-E168 PolarHBondContact O-N 2.98Å; E168-L170 VanDerWaalsContact C-N 3.31Å; E168-L170 PolarHBondContact O-N 3.28Å; E168-Q171 PolarHBondContact O-N 3.38Å; E168-L172 HydrophobicContact CG-CD1 4.17Å; E168-L172 WeakPolarHBondContact O-CB 3.34Å; E168-L172 WeakPolarHBondContact O-CG 3.39Å; E168-L172 PolarHBondContact O-N 3.44Å |
| 169 | I | 93.4 | Very high | 94.4 | Very high | 86 Ų | 86 | 88.6 Ų | 88.6 | 44% | 0.441 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 176.2 | -71 | 165.5 | 0 | 0 | 0 | 110.9 | T165 E166 L172 K173 | T165-I169 WeakPolarHBondContact O-CD1 3.43Å; T165-I169 VanDerWaalsContact O-CG1 3.24Å; T165-I169 WeakPolarHBondContact O-CG1 3.37Å; T165-I169 PolarHBondContact O-N 2.88Å; E166-I169 PolarHBondContact O-N 2.71Å; I169-L172 PolarHBondContact O-N 2.85Å; I169-K173 HydrophobicContact CG2-CD 4.05Å; I169-K173 HydrophobicContact CG2-CG 4.44Å; I169-K173 WeakPolarHBondContact O-CB 3.29Å; I169-K173 VanDerWaalsContact O-CG 3.27Å; I169-K173 WeakPolarHBondContact O-CG 3.2Å; I169-K173 PolarHBondContact O-N 3.42Å |
| 170 | L | 93.4 | Very high | 94.5 | Very high | 94 Ų | 94 | 94.1 Ų | 94.1 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 176.9 | -72.9 | 173.9 | 0 | 0 | 0 | 111.4 | E166 D167 E168 K173 A174 | E166-L170 WeakPolarHBondContact O-CG 3.41Å; E166-L170 PolarHBondContact O-N 2.95Å; D167-L170 PolarHBondContact O-N 3.37Å; E168-L170 VanDerWaalsContact C-N 3.31Å; E168-L170 PolarHBondContact O-N 3.28Å; L170-K173 PolarHBondContact O-N 3.24Å; L170-A174 PolarHBondContact O-N 3.47Å |
| 171 | Q | 96.7 | Very high | 94.7 | Very high | 119 Ų | 119 | 95.7 Ų | 95.7 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.9 | -51 | 175 | -177.6 | 174.7 | -9.1 | 0 | 0 | 111.4 | D167 E168 K173 A174 E175 | D167-Q171 PolarHBondContact O-N 3.03Å; E168-Q171 PolarHBondContact O-N 3.38Å; Q171-K173 VanDerWaalsContact C-N 3.28Å; Q171-K173 PolarHBondContact O-N 2.86Å; Q171-A174 WeakPolarHBondContact O-CA 3.21Å; Q171-A174 WeakPolarHBondContact O-CB 3.49Å; Q171-A174 PolarHBondContact O-N 2.86Å; Q171-E175 PolarHBondContact NE2-OE1 2.9Å; Q171-E175 PolarHBondContact O-N 3.13Å |
| 172 | L | 96.3 | Very high | 94.8 | Very high | 91 Ų | 91 | 97.2 Ų | 97.2 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.1 | -37.3 | 178.5 | -71.1 | 173.2 | 0 | 0 | 0 | 112.1 | E168 I169 A174 E175 L176 | E168-L172 HydrophobicContact CG-CD1 4.17Å; E168-L172 WeakPolarHBondContact O-CB 3.34Å; E168-L172 WeakPolarHBondContact O-CG 3.39Å; E168-L172 PolarHBondContact O-N 3.44Å; I169-L172 PolarHBondContact O-N 2.85Å; L172-A174 VanDerWaalsContact C-N 3.34Å; L172-A174 PolarHBondContact O-N 3.26Å; L172-E175 PolarHBondContact O-N 3.22Å; L172-L176 WeakPolarHBondContact O-CB 3.42Å; L172-L176 PolarHBondContact O-N 3.5Å |
| 173 | K | 95.2 | Very high | 94.9 | Very high | 124 Ų | 124 | 96.9 Ų | 96.9 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.3 | -33.6 | 173.7 | -79 | 176.1 | 178.8 | 174.6 | 0 | 112.8 | I169 L170 Q171 R177 | I169-K173 HydrophobicContact CG2-CD 4.05Å; I169-K173 HydrophobicContact CG2-CG 4.44Å; I169-K173 WeakPolarHBondContact O-CB 3.29Å; I169-K173 VanDerWaalsContact O-CG 3.27Å; I169-K173 WeakPolarHBondContact O-CG 3.2Å; I169-K173 PolarHBondContact O-N 3.42Å; L170-K173 PolarHBondContact O-N 3.24Å; Q171-K173 VanDerWaalsContact C-N 3.28Å; Q171-K173 PolarHBondContact O-N 2.86Å; K173-R177 WeakPolarHBondContact O-CG 3.42Å; K173-R177 PolarHBondContact O-N 3.43Å; K173-R177 PolarHBondContact O-NE 3.05Å |
| 174 | A | 96.1 | Very high | 95.1 | Very high | 46 Ų | 46 | 96.1 Ų | 96.1 | 38% | 0.38 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.1 | -46.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L170 Q171 L172 L176 R177 A178 | L170-A174 PolarHBondContact O-N 3.47Å; Q171-A174 WeakPolarHBondContact O-CA 3.21Å; Q171-A174 WeakPolarHBondContact O-CB 3.49Å; Q171-A174 PolarHBondContact O-N 2.86Å; L172-A174 VanDerWaalsContact C-N 3.34Å; L172-A174 PolarHBondContact O-N 3.26Å; A174-L176 PolarHBondContact O-N 2.83Å; A174-R177 PolarHBondContact O-N 3.47Å; A174-A178 PolarHBondContact O-N 3.06Å |
| 175 | E | 96.8 | Very high | 95.4 | Very high | 103 Ų | 103 | 96.2 Ų | 96.2 | 48% | 0.481 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 176.6 | -70.1 | 177 | -166.8 | 0 | 0 | 112 | Q171 L172 R177 A178 A179 | Q171-E175 PolarHBondContact NE2-OE1 2.9Å; Q171-E175 PolarHBondContact O-N 3.13Å; L172-E175 PolarHBondContact O-N 3.22Å; E175-R177 VanDerWaalsContact C-N 3.33Å; E175-R177 PolarHBondContact O-N 3.45Å; E175-A178 PolarHBondContact O-N 2.76Å; E175-A179 WeakPolarHBondContact O-CB 2.98Å; E175-A179 PolarHBondContact O-N 3.24Å |
| 176 | L | 96.4 | Very high | 95.5 | Very high | 86 Ų | 86 | 100.1 Ų | 100.1 | 45% | 0.45 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -37.9 | 177.1 | -170.9 | 163.1 | 0 | 0 | 0 | 111.9 | L172 A174 R180 | L172-L176 WeakPolarHBondContact O-CB 3.42Å; L172-L176 PolarHBondContact O-N 3.5Å; A174-L176 PolarHBondContact O-N 2.83Å; L176-R180 HydrophobicContact CD2-CG 4.16Å; L176-R180 VanDerWaalsContact CD2-NE 3.26Å; L176-R180 WeakPolarHBondContact O-CG 3.43Å; L176-R180 PolarHBondContact O-N 3.45Å |
| 177 | R | 96.4 | Very high | 95.7 | Very high | 159 Ų | 159 | 101 Ų | 101 | 60% | 0.6 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64 | -47.8 | 172.6 | -81.4 | -175.5 | -74.9 | 167.4 | -3.6 | 111.5 | K173 A174 E175 A179 R180 D181 | K173-R177 WeakPolarHBondContact O-CG 3.42Å; K173-R177 PolarHBondContact O-N 3.43Å; K173-R177 PolarHBondContact O-NE 3.05Å; A174-R177 PolarHBondContact O-N 3.47Å; E175-R177 VanDerWaalsContact C-N 3.33Å; E175-R177 PolarHBondContact O-N 3.45Å; R177-A179 VanDerWaalsContact C-N 3.3Å; R177-A179 PolarHBondContact O-N 2.67Å; R177-R180 WeakPolarHBondContact O-CB 3.34Å; R177-R180 PolarHBondContact O-N 3.1Å; R177-R180 VanDerWaalsContact O-N 3.14Å; R177-D181 PolarHBondContact O-N 3.39Å |
| 178 | A | 96.7 | Very high | 95.9 | Very high | 49 Ų | 49 | 102.9 Ų | 102.9 | 41% | 0.405 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.4 | -41.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A174 E175 D181 Q182 | A174-A178 PolarHBondContact O-N 3.06Å; E175-A178 PolarHBondContact O-N 2.76Å; A178-D181 PolarHBondContact O-N 2.79Å; A178-Q182 WeakPolarHBondContact O-CG 3.5Å; A178-Q182 PolarHBondContact O-N 3.4Å |
| 179 | A | 95.8 | Very high | 95.9 | Very high | 49 Ų | 49 | 103.3 Ų | 103.3 | 41% | 0.405 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E175 R177 Q182 V183 | E175-A179 WeakPolarHBondContact O-CB 2.98Å; E175-A179 PolarHBondContact O-N 3.24Å; R177-A179 VanDerWaalsContact C-N 3.3Å; R177-A179 PolarHBondContact O-N 2.67Å; A179-Q182 WeakPolarHBondContact O-CB 3.1Å; A179-Q182 PolarHBondContact O-N 3.41Å; A179-V183 WeakPolarHBondContact O-CG2 3.02Å; A179-V183 PolarHBondContact O-N 3.28Å |
| 180 | R | 95.8 | Very high | 96 | Very high | 165 Ų | 165 | 102.8 Ų | 102.8 | 62% | 0.623 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62 | -42.9 | 174.6 | -77.5 | 178.1 | 176.8 | 168.3 | 3.1 | 112.2 | L176 R177 Q182 V183 E184 | L176-R180 HydrophobicContact CD2-CG 4.16Å; L176-R180 VanDerWaalsContact CD2-NE 3.26Å; L176-R180 WeakPolarHBondContact O-CG 3.43Å; L176-R180 PolarHBondContact O-N 3.45Å; R177-R180 WeakPolarHBondContact O-CB 3.34Å; R177-R180 PolarHBondContact O-N 3.1Å; R177-R180 VanDerWaalsContact O-N 3.14Å; R180-Q182 VanDerWaalsContact C-N 3.29Å; R180-Q182 PolarHBondContact O-N 3.03Å; R180-V183 PolarHBondContact O-N 2.91Å; R180-E184 PolarHBondContact O-N 3.18Å |
| 181 | D | 96.2 | Very high | 96.1 | Very high | 108 Ų | 108 | 102.2 Ų | 102.2 | 58% | 0.578 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.3 | -36.3 | 177.8 | -67.7 | -20.9 | 0 | 0 | 0 | 111.8 | R177 A178 T185 | R177-D181 PolarHBondContact O-N 3.39Å; A178-D181 PolarHBondContact O-N 2.79Å; D181-T185 WeakPolarHBondContact O-CB 3.33Å; D181-T185 PolarHBondContact O-N 3.11Å; D181-T185 PolarHBondContact O-OG1 3.19Å |
| 182 | Q | 96.1 | Very high | 96 | Very high | 118 Ų | 118 | 99.9 Ų | 99.9 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.7 | -45.8 | 171.9 | -72.2 | 179.9 | 11.2 | 0 | 0 | 111.7 | A178 A179 R180 E184 T185 Y186 | A178-Q182 WeakPolarHBondContact O-CG 3.5Å; A178-Q182 PolarHBondContact O-N 3.4Å; A179-Q182 WeakPolarHBondContact O-CB 3.1Å; A179-Q182 PolarHBondContact O-N 3.41Å; R180-Q182 VanDerWaalsContact C-N 3.29Å; R180-Q182 PolarHBondContact O-N 3.03Å; Q182-E184 PolarHBondContact O-N 2.88Å; Q182-T185 WeakPolarHBondContact O-CA 3.3Å; Q182-T185 WeakPolarHBondContact O-CB 3.27Å; Q182-T185 PolarHBondContact O-N 2.98Å; Q182-T185 VanDerWaalsContact O-N 3.11Å; Q182-Y186 HydrophobicContact CB-CE2 4.49Å; Q182-Y186 WeakPolarHBondContact O-CD2 3.37Å; Q182-Y186 PolarHBondContact O-N 2.91Å |
| 183 | V | 95.8 | Very high | 96 | Very high | 94 Ų | 94 | 100.9 Ų | 100.9 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.8 | -44.8 | 177.4 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | A179 R180 T185 Y186 K187 | A179-V183 WeakPolarHBondContact O-CG2 3.02Å; A179-V183 PolarHBondContact O-N 3.28Å; R180-V183 PolarHBondContact O-N 2.91Å; V183-T185 VanDerWaalsContact C-N 3.27Å; V183-T185 PolarHBondContact O-N 3.37Å; V183-Y186 PolarHBondContact O-N 3.41Å; V183-K187 WeakPolarHBondContact O-CB 3.28Å; V183-K187 PolarHBondContact O-N 3.47Å |
| 184 | E | 95.9 | Very high | 96 | Very high | 84 Ų | 84 | 98 Ų | 98 | 39% | 0.393 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.5 | -38.5 | 174.6 | -80.8 | -63.9 | 145.8 | 0 | 0 | 112 | R180 Q182 K187 R188 | R180-E184 PolarHBondContact O-N 3.18Å; Q182-E184 PolarHBondContact O-N 2.88Å; E184-K187 PolarHBondContact O-N 3.5Å; E184-R188 WeakPolarHBondContact O-CG 3.45Å; E184-R188 PolarHBondContact O-N 3.13Å; E184-R188 VanDerWaalsContact O-N 3.1Å |
| 185 | T | 96.4 | Very high | 96 | Very high | 62 Ų | 62 | 100 Ų | 100 | 38% | 0.38 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 175.4 | -55.8 | 0 | 0 | 0 | 0 | 111.8 | D181 Q182 V183 R188 K189 | D181-T185 WeakPolarHBondContact O-CB 3.33Å; D181-T185 PolarHBondContact O-N 3.11Å; D181-T185 PolarHBondContact O-OG1 3.19Å; Q182-T185 WeakPolarHBondContact O-CA 3.3Å; Q182-T185 WeakPolarHBondContact O-CB 3.27Å; Q182-T185 PolarHBondContact O-N 2.98Å; Q182-T185 VanDerWaalsContact O-N 3.11Å; V183-T185 VanDerWaalsContact C-N 3.27Å; V183-T185 PolarHBondContact O-N 3.37Å; T185-R188 PolarHBondContact O-N 3.38Å; T185-K189 WeakPolarHBondContact O-CG 3.42Å; T185-K189 PolarHBondContact O-N 3.14Å |
| 186 | Y | 95.9 | Very high | 95.9 | Very high | 145 Ų | 145 | 101.6 Ų | 101.6 | 57% | 0.569 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.9 | -39.2 | 175.3 | -78.1 | -66.7 | 0 | 0 | 0 | 112.2 | Q182 V183 R188 K189 V190 | Q182-Y186 HydrophobicContact CB-CE2 4.49Å; Q182-Y186 WeakPolarHBondContact O-CD2 3.37Å; Q182-Y186 PolarHBondContact O-N 2.91Å; V183-Y186 PolarHBondContact O-N 3.41Å; Y186-R188 PolarHBondContact O-N 3.05Å; Y186-K189 HydrophobicContact CD1-CD 4.42Å; Y186-K189 WeakPolarHBondContact O-CA 3.48Å; Y186-K189 WeakPolarHBondContact O-CB 3.49Å; Y186-K189 PolarHBondContact O-N 3.16Å; Y186-K189 VanDerWaalsContact O-N 3.07Å; Y186-V190 WeakPolarHBondContact O-CG2 3.33Å; Y186-V190 PolarHBondContact O-N 3.5Å |
| 187 | K | 96.3 | Very high | 95.9 | Very high | 115 Ų | 115 | 102.2 Ų | 102.2 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.2 | -47.4 | 175.9 | -172.9 | 179.7 | 176.3 | -174 | 0 | 111.7 | V183 E184 K189 V190 D191 | V183-K187 WeakPolarHBondContact O-CB 3.28Å; V183-K187 PolarHBondContact O-N 3.47Å; E184-K187 PolarHBondContact O-N 3.5Å; K187-K189 VanDerWaalsContact C-N 3.26Å; K187-K189 PolarHBondContact O-N 3Å; K187-V190 WeakPolarHBondContact O-CB 3.48Å; K187-V190 PolarHBondContact O-N 2.9Å; K187-D191 PolarHBondContact O-N 3.31Å |
| 188 | R | 96 | Very high | 95.9 | Very high | 149 Ų | 149 | 100.8 Ų | 100.8 | 56% | 0.562 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58.4 | -37.3 | 174 | -66.5 | 173.7 | -159 | 139.4 | 7 | 112.6 | E184 T185 Y186 D191 V192 | E184-R188 WeakPolarHBondContact O-CG 3.45Å; E184-R188 PolarHBondContact O-N 3.13Å; E184-R188 VanDerWaalsContact O-N 3.1Å; T185-R188 PolarHBondContact O-N 3.38Å; Y186-R188 PolarHBondContact O-N 3.05Å; R188-D191 PolarHBondContact O-N 2.84Å; R188-V192 WeakPolarHBondContact O-CG2 3.33Å; R188-V192 PolarHBondContact O-N 3.28Å |
| 189 | K | 95.9 | Very high | 95.9 | Very high | 123 Ų | 123 | 103.6 Ų | 103.6 | 54% | 0.535 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.3 | -38 | 175.8 | -69.3 | 178.2 | -179.1 | 179.6 | 0 | 111.9 | T185 Y186 K187 V192 L193 | T185-K189 WeakPolarHBondContact O-CG 3.42Å; T185-K189 PolarHBondContact O-N 3.14Å; Y186-K189 HydrophobicContact CD1-CD 4.42Å; Y186-K189 WeakPolarHBondContact O-CA 3.48Å; Y186-K189 WeakPolarHBondContact O-CB 3.49Å; Y186-K189 PolarHBondContact O-N 3.16Å; Y186-K189 VanDerWaalsContact O-N 3.07Å; K187-K189 VanDerWaalsContact C-N 3.26Å; K187-K189 PolarHBondContact O-N 3Å; K189-V192 PolarHBondContact O-N 2.96Å; K189-L193 WeakPolarHBondContact O-CG 3.44Å; K189-L193 PolarHBondContact O-N 3.22Å; K189-L193 VanDerWaalsContact O-N 3.1Å |
| 190 | V | 95.9 | Very high | 95.9 | Very high | 76 Ų | 76 | 104.7 Ų | 104.7 | 46% | 0.461 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 175.2 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | Y186 K187 V192 L193 D194 | Y186-V190 WeakPolarHBondContact O-CG2 3.33Å; Y186-V190 PolarHBondContact O-N 3.5Å; K187-V190 WeakPolarHBondContact O-CB 3.48Å; K187-V190 PolarHBondContact O-N 2.9Å; V190-V192 PolarHBondContact O-N 3.4Å; V190-L193 WeakPolarHBondContact O-CA 3.48Å; V190-L193 WeakPolarHBondContact O-CB 3.43Å; V190-L193 PolarHBondContact O-N 3.46Å; V190-D194 PolarHBondContact O-N 3.46Å |
| 191 | D | 94.7 | Very high | 95.9 | Very high | 81 Ų | 81 | 102.9 Ų | 102.9 | 43% | 0.433 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.2 | -39.8 | 177.4 | -63.5 | -30.4 | 0 | 0 | 0 | 111.8 | K187 R188 D194 D195 | K187-D191 PolarHBondContact O-N 3.31Å; R188-D191 PolarHBondContact O-N 2.84Å; D191-D194 WeakPolarHBondContact O-CB 3.12Å; D191-D194 PolarHBondContact O-N 3.43Å; D191-D195 PolarHBondContact O-N 3.29Å; D191-D195 VanDerWaalsContact O-N 3.14Å |
| 192 | V | 96.4 | Very high | 95.9 | Very high | 71 Ų | 71 | 103.5 Ų | 103.5 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 175.1 | 171.2 | 0 | 0 | 0 | 0 | 112.1 | R188 K189 V190 D195 Y196 | R188-V192 WeakPolarHBondContact O-CG2 3.33Å; R188-V192 PolarHBondContact O-N 3.28Å; K189-V192 PolarHBondContact O-N 2.96Å; V190-V192 PolarHBondContact O-N 3.4Å; V192-D195 PolarHBondContact O-N 2.92Å; V192-Y196 HydrophobicContact CG1-CD2 3.95Å; V192-Y196 HydrophobicContact CG1-CE2 3.47Å; V192-Y196 VanDerWaalsContact CG1-CE2 3.47Å; V192-Y196 WeakPolarHBondContact O-CD2 3.41Å; V192-Y196 PolarHBondContact O-N 3.45Å; V192-Y196 VanDerWaalsContact O-N 3.14Å |
| 193 | L | 94.8 | Very high | 95.9 | Very high | 112 Ų | 112 | 102.8 Ų | 102.8 | 59% | 0.586 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.2 | -39.2 | 175.3 | -70.9 | 174.4 | 0 | 0 | 0 | 111.6 | K189 V190 D195 Y196 E197 | K189-L193 WeakPolarHBondContact O-CG 3.44Å; K189-L193 PolarHBondContact O-N 3.22Å; K189-L193 VanDerWaalsContact O-N 3.1Å; V190-L193 WeakPolarHBondContact O-CA 3.48Å; V190-L193 WeakPolarHBondContact O-CB 3.43Å; V190-L193 PolarHBondContact O-N 3.46Å; L193-D195 VanDerWaalsContact C-N 3.28Å; L193-D195 PolarHBondContact O-N 3.11Å; L193-Y196 PolarHBondContact O-N 3.16Å; L193-E197 PolarHBondContact O-N 2.93Å |
| 194 | D | 95.3 | Very high | 95.9 | Very high | 62 Ų | 62 | 106.9 Ų | 106.9 | 33% | 0.332 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -39.3 | 175.2 | -78.3 | -1.4 | 0 | 0 | 0 | 111.4 | V190 D191 E197 R198 | V190-D194 PolarHBondContact O-N 3.46Å; D191-D194 WeakPolarHBondContact O-CB 3.12Å; D191-D194 PolarHBondContact O-N 3.43Å; D194-E197 PolarHBondContact O-N 3.04Å; D194-R198 VanDerWaalsContact O-CG 3.28Å; D194-R198 WeakPolarHBondContact O-CG 3.31Å; D194-R198 PolarHBondContact O-N 2.56Å |
| 195 | D | 95.7 | Very high | 95.9 | Very high | 90 Ų | 90 | 107.7 Ų | 107.7 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 174.7 | -75.9 | -22.4 | 0 | 0 | 0 | 112.2 | D191 V192 L193 E197 R198 Q199 | D191-D195 PolarHBondContact O-N 3.29Å; D191-D195 VanDerWaalsContact O-N 3.14Å; V192-D195 PolarHBondContact O-N 2.92Å; L193-D195 VanDerWaalsContact C-N 3.28Å; L193-D195 PolarHBondContact O-N 3.11Å; D195-E197 VanDerWaalsContact C-N 3.32Å; D195-E197 PolarHBondContact O-N 3.15Å; D195-R198 PolarHBondContact O-N 3.09Å; D195-R198 IonicContact OD1-CZ 3.32Å; D195-R198 IonicContact OD1-NH1 3.69Å; D195-R198 PolarHBondContact OD1-NH1 2.84Å; D195-Q199 PolarHBondContact O-N 3.18Å |
| 196 | Y | 96.4 | Very high | 95.9 | Very high | 136 Ų | 136 | 109.4 Ų | 109.4 | 53% | 0.533 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 173.4 | -72.1 | -52.7 | 0 | 0 | 0 | 111.9 | V192 L193 Q199 V200 | V192-Y196 HydrophobicContact CG1-CD2 3.95Å; V192-Y196 HydrophobicContact CG1-CE2 3.47Å; V192-Y196 VanDerWaalsContact CG1-CE2 3.47Å; V192-Y196 WeakPolarHBondContact O-CD2 3.41Å; V192-Y196 PolarHBondContact O-N 3.45Å; V192-Y196 VanDerWaalsContact O-N 3.14Å; L193-Y196 PolarHBondContact O-N 3.16Å; Y196-Q199 PolarHBondContact O-N 2.98Å; Y196-V200 WeakPolarHBondContact O-CG2 3.18Å; Y196-V200 PolarHBondContact O-N 2.83Å |
| 197 | E | 96.4 | Very high | 95.8 | Very high | 99 Ų | 99 | 106.7 Ų | 106.7 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 177.5 | -159.4 | -165.6 | 130.8 | 0 | 0 | 111.4 | L193 D194 D195 Q199 V200 R201 | L193-E197 PolarHBondContact O-N 2.93Å; D194-E197 PolarHBondContact O-N 3.04Å; D195-E197 VanDerWaalsContact C-N 3.32Å; D195-E197 PolarHBondContact O-N 3.15Å; E197-Q199 VanDerWaalsContact C-N 3.33Å; E197-Q199 PolarHBondContact O-N 2.93Å; E197-V200 PolarHBondContact O-N 2.9Å; E197-R201 WeakPolarHBondContact O-CG 3.04Å; E197-R201 PolarHBondContact O-N 3.47Å; E197-R201 IonicContact OE1-CZ 2.73Å; E197-R201 IonicContact OE1-NE 2.74Å; E197-R201 PolarHBondContact OE1-NE 3.29Å; E197-R201 IonicContact OE1-NH2 3.44Å; E197-R201 PolarHBondContact OE1-NH2 2.79Å |
| 198 | R | 96.1 | Very high | 95.7 | Very high | 128 Ų | 128 | 104.7 Ų | 104.7 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.5 | -44 | 172.7 | -70.1 | 169 | -161.8 | 150.8 | 5 | 111.4 | D194 D195 V200 R201 L202 | D194-R198 VanDerWaalsContact O-CG 3.28Å; D194-R198 WeakPolarHBondContact O-CG 3.31Å; D194-R198 PolarHBondContact O-N 2.56Å; D195-R198 PolarHBondContact O-N 3.09Å; D195-R198 IonicContact OD1-CZ 3.32Å; D195-R198 IonicContact OD1-NH1 3.69Å; D195-R198 PolarHBondContact OD1-NH1 2.84Å; R198-V200 VanDerWaalsContact C-N 3.34Å; R198-V200 PolarHBondContact O-N 2.84Å; R198-R201 PolarHBondContact O-N 3.19Å; R198-L202 WeakPolarHBondContact O-CG 3.27Å; R198-L202 PolarHBondContact O-N 3.43Å |
| 199 | Q | 95.9 | Very high | 95.7 | Very high | 108 Ų | 108 | 103.4 Ų | 103.4 | 51% | 0.505 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 177.3 | -169.5 | 177.6 | 19.3 | 0 | 0 | 111.8 | D195 Y196 E197 R201 L202 L203 | D195-Q199 PolarHBondContact O-N 3.18Å; Y196-Q199 PolarHBondContact O-N 2.98Å; E197-Q199 VanDerWaalsContact C-N 3.33Å; E197-Q199 PolarHBondContact O-N 2.93Å; Q199-R201 VanDerWaalsContact C-N 3.34Å; Q199-R201 PolarHBondContact O-N 2.91Å; Q199-L202 PolarHBondContact O-N 3.01Å; Q199-L203 HydrophobicContact CG-CD1 4.26Å; Q199-L203 WeakPolarHBondContact O-CB 3.13Å; Q199-L203 WeakPolarHBondContact O-CG 3.23Å; Q199-L203 PolarHBondContact O-N 3Å |
| 200 | V | 96.3 | Very high | 95.6 | Very high | 72 Ų | 72 | 101.5 Ų | 101.5 | 44% | 0.436 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 175.1 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | Y196 E197 R198 L203 R204 | Y196-V200 WeakPolarHBondContact O-CG2 3.18Å; Y196-V200 PolarHBondContact O-N 2.83Å; E197-V200 PolarHBondContact O-N 2.9Å; R198-V200 VanDerWaalsContact C-N 3.34Å; R198-V200 PolarHBondContact O-N 2.84Å; V200-L203 PolarHBondContact O-N 3.1Å; V200-R204 WeakPolarHBondContact O-CB 3.41Å; V200-R204 WeakPolarHBondContact O-CG 3.31Å; V200-R204 PolarHBondContact O-N 2.92Å |
| 201 | R | 95.9 | Very high | 95.4 | Very high | 128 Ų | 128 | 101.9 Ų | 101.9 | 48% | 0.483 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -48.5 | 174.6 | -68.1 | -177.7 | -136.1 | 159.3 | 2.3 | 111.4 | E197 R198 Q199 L203 R204 D205 | E197-R201 WeakPolarHBondContact O-CG 3.04Å; E197-R201 PolarHBondContact O-N 3.47Å; E197-R201 IonicContact OE1-CZ 2.73Å; E197-R201 IonicContact OE1-NE 2.74Å; E197-R201 PolarHBondContact OE1-NE 3.29Å; E197-R201 IonicContact OE1-NH2 3.44Å; E197-R201 PolarHBondContact OE1-NH2 2.79Å; R198-R201 PolarHBondContact O-N 3.19Å; Q199-R201 VanDerWaalsContact C-N 3.34Å; Q199-R201 PolarHBondContact O-N 2.91Å; R201-L203 VanDerWaalsContact C-N 3.35Å; R201-L203 PolarHBondContact O-N 3.48Å; R201-R204 WeakPolarHBondContact O-CB 3.09Å; R201-R204 PolarHBondContact O-N 3.34Å; R201-R204 VanDerWaalsContact O-N 3.13Å; R201-D205 PolarHBondContact O-N 3.39Å |
| 202 | L | 95.8 | Very high | 95.2 | Very high | 121 Ų | 121 | 100.4 Ų | 100.4 | 63% | 0.634 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.3 | -44.2 | 177.6 | -70.5 | 174 | 0 | 0 | 0 | 112.4 | R198 Q199 R204 D205 E206 | R198-L202 WeakPolarHBondContact O-CG 3.27Å; R198-L202 PolarHBondContact O-N 3.43Å; Q199-L202 PolarHBondContact O-N 3.01Å; L202-R204 VanDerWaalsContact C-N 3.33Å; L202-R204 PolarHBondContact O-N 3.32Å; L202-D205 PolarHBondContact O-N 3.21Å; L202-E206 WeakPolarHBondContact O-CB 3.4Å; L202-E206 PolarHBondContact O-N 2.96Å |
| 203 | L | 96.4 | Very high | 95 | Very high | 103 Ų | 103 | 101.1 Ų | 101.1 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.9 | -36.5 | 176.6 | -72.7 | 172 | 0 | 0 | 0 | 112.1 | Q199 V200 R201 E206 V207 | Q199-L203 HydrophobicContact CG-CD1 4.26Å; Q199-L203 WeakPolarHBondContact O-CB 3.13Å; Q199-L203 WeakPolarHBondContact O-CG 3.23Å; Q199-L203 PolarHBondContact O-N 3Å; V200-L203 PolarHBondContact O-N 3.1Å; R201-L203 VanDerWaalsContact C-N 3.35Å; R201-L203 PolarHBondContact O-N 3.48Å; L203-E206 PolarHBondContact O-N 2.52Å; L203-V207 WeakPolarHBondContact O-CB 3.49Å; L203-V207 VanDerWaalsContact O-CG2 3.23Å; L203-V207 WeakPolarHBondContact O-CG2 3.3Å; L203-V207 PolarHBondContact O-N 3.48Å |
| 204 | R | 95.7 | Very high | 94.7 | Very high | 180 Ų | 180 | 102.7 Ų | 102.7 | 68% | 0.679 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.4 | -43.3 | 173.7 | -79.4 | 178.1 | 176.3 | -178.9 | 0.9 | 111.7 | V200 R201 L202 V207 S208 | V200-R204 WeakPolarHBondContact O-CB 3.41Å; V200-R204 WeakPolarHBondContact O-CG 3.31Å; V200-R204 PolarHBondContact O-N 2.92Å; R201-R204 WeakPolarHBondContact O-CB 3.09Å; R201-R204 PolarHBondContact O-N 3.34Å; R201-R204 VanDerWaalsContact O-N 3.13Å; L202-R204 VanDerWaalsContact C-N 3.33Å; L202-R204 PolarHBondContact O-N 3.32Å; R204-V207 PolarHBondContact O-N 3.28Å; R204-S208 WeakPolarHBondContact O-CB 3.36Å; R204-S208 PolarHBondContact O-N 3.46Å |
| 205 | D | 95.7 | Very high | 94.4 | Very high | 101 Ų | 101 | 102.9 Ų | 102.9 | 54% | 0.54 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 177.4 | -66.4 | -18.6 | 0 | 0 | 0 | 110.3 | R201 L202 V207 S208 F209 | R201-D205 PolarHBondContact O-N 3.39Å; L202-D205 PolarHBondContact O-N 3.21Å; D205-V207 PolarHBondContact O-N 2.94Å; D205-S208 WeakPolarHBondContact O-CB 3.47Å; D205-S208 PolarHBondContact O-N 2.96Å; D205-S208 PolarHBondContact O-OG 3.43Å; D205-F209 PolarHBondContact O-N 3.22Å |
| 206 | E | 95.6 | Very high | 93.9 | Very high | 98 Ų | 98 | 103 Ų | 103 | 46% | 0.458 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 175.8 | -172.8 | 62.5 | -162.6 | 0 | 0 | 112.2 | L202 L203 S208 F209 L210 | L202-E206 WeakPolarHBondContact O-CB 3.4Å; L202-E206 PolarHBondContact O-N 2.96Å; L203-E206 PolarHBondContact O-N 2.52Å; E206-S208 VanDerWaalsContact C-N 3.29Å; E206-S208 PolarHBondContact O-N 3.3Å; E206-F209 WeakPolarHBondContact O-CB 3.42Å; E206-F209 PolarHBondContact O-N 3.11Å; E206-L210 HydrophobicContact CG-CD1 4.07Å; E206-L210 HydrophobicContact CG-CG 4.44Å; E206-L210 WeakPolarHBondContact O-CB 3.41Å; E206-L210 VanDerWaalsContact O-CG 3.31Å; E206-L210 WeakPolarHBondContact O-CG 3.43Å; E206-L210 PolarHBondContact O-N 3.44Å |
| 207 | V | 94.4 | Very high | 93.3 | Very high | 88 Ų | 88 | 100.8 Ų | 100.8 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 174.9 | 168.2 | 0 | 0 | 0 | 0 | 110.8 | L203 R204 D205 F209 T211 | L203-V207 WeakPolarHBondContact O-CB 3.49Å; L203-V207 VanDerWaalsContact O-CG2 3.23Å; L203-V207 WeakPolarHBondContact O-CG2 3.3Å; L203-V207 PolarHBondContact O-N 3.48Å; R204-V207 PolarHBondContact O-N 3.28Å; D205-V207 PolarHBondContact O-N 2.94Å; V207-F209 VanDerWaalsContact C-N 3.34Å; V207-T211 VanDerWaalsContact O-CB 3.23Å; V207-T211 WeakPolarHBondContact O-CB 3.2Å; V207-T211 PolarHBondContact O-N 3.37Å; V207-T211 PolarHBondContact O-OG1 3.01Å |
| 208 | S | 95 | Very high | 92.6 | Very high | 72 Ų | 72 | 101.8 Ų | 101.8 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 177 | 81.5 | 0 | 0 | 0 | 0 | 111.7 | R204 D205 E206 T211 A212 | R204-S208 WeakPolarHBondContact O-CB 3.36Å; R204-S208 PolarHBondContact O-N 3.46Å; D205-S208 WeakPolarHBondContact O-CB 3.47Å; D205-S208 PolarHBondContact O-N 2.96Å; D205-S208 PolarHBondContact O-OG 3.43Å; E206-S208 VanDerWaalsContact C-N 3.29Å; E206-S208 PolarHBondContact O-N 3.3Å; S208-T211 PolarHBondContact O-N 3.01Å; S208-A212 WeakPolarHBondContact O-CB 3.49Å; S208-A212 PolarHBondContact O-N 2.97Å |
| 209 | F | 94.9 | Very high | 91.6 | Very high | 122 Ų | 122 | 99.5 Ų | 99.5 | 54% | 0.535 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -51.7 | 176.2 | 178 | -94.6 | 0 | 0 | 0 | 111.6 | D205 E206 V207 T211 A212 E213 | D205-F209 PolarHBondContact O-N 3.22Å; E206-F209 WeakPolarHBondContact O-CB 3.42Å; E206-F209 PolarHBondContact O-N 3.11Å; V207-F209 VanDerWaalsContact C-N 3.34Å; F209-T211 VanDerWaalsContact C-N 3.25Å; F209-T211 PolarHBondContact O-N 3.17Å; F209-A212 WeakPolarHBondContact O-CB 3.26Å; F209-A212 PolarHBondContact O-N 3.3Å; F209-A212 VanDerWaalsContact O-N 3.12Å; F209-E213 PolarHBondContact O-N 3.08Å |
| 210 | L | 93.4 | Very high | 90.4 | Very high | 83 Ų | 83 | 101.5 Ų | 101.5 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.9 | -35.6 | 177.3 | -69.9 | 172.9 | 0 | 0 | 0 | 111.8 | E206 K214 | E206-L210 HydrophobicContact CG-CD1 4.07Å; E206-L210 HydrophobicContact CG-CG 4.44Å; E206-L210 WeakPolarHBondContact O-CB 3.41Å; E206-L210 VanDerWaalsContact O-CG 3.31Å; E206-L210 WeakPolarHBondContact O-CG 3.43Å; E206-L210 PolarHBondContact O-N 3.44Å; L210-K214 WeakPolarHBondContact O-CB 3.13Å; L210-K214 PolarHBondContact O-N 3.12Å |
| 211 | T | 93.1 | Very high | 88.8 | Confident | 84 Ų | 84 | 104.5 Ų | 104.5 | 52% | 0.515 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.5 | -43 | 175.4 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | V207 S208 F209 K214 S215 | V207-T211 VanDerWaalsContact O-CB 3.23Å; V207-T211 WeakPolarHBondContact O-CB 3.2Å; V207-T211 PolarHBondContact O-N 3.37Å; V207-T211 PolarHBondContact O-OG1 3.01Å; S208-T211 PolarHBondContact O-N 3.01Å; F209-T211 VanDerWaalsContact C-N 3.25Å; F209-T211 PolarHBondContact O-N 3.17Å; T211-K214 PolarHBondContact O-N 2.98Å; T211-S215 PolarHBondContact O-N 3.28Å |
| 212 | A | 90.6 | Very high | 87.3 | Confident | 50 Ų | 50 | 104.4 Ų | 104.4 | 41% | 0.413 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S208 F209 K214 S215 M216 | S208-A212 WeakPolarHBondContact O-CB 3.49Å; S208-A212 PolarHBondContact O-N 2.97Å; F209-A212 WeakPolarHBondContact O-CB 3.26Å; F209-A212 PolarHBondContact O-N 3.3Å; F209-A212 VanDerWaalsContact O-N 3.12Å; A212-K214 PolarHBondContact O-N 2.86Å; A212-S215 PolarHBondContact O-N 3.27Å; A212-S215 VanDerWaalsContact O-N 3.16Å; A212-S215 PolarHBondContact O-OG 2.83Å; A212-M216 WeakPolarHBondContact O-CG 3.28Å; A212-M216 PolarHBondContact O-N 3.35Å |
| 213 | E | 90.9 | Very high | 85.2 | Confident | 86 Ų | 86 | 106.7 Ų | 106.7 | 40% | 0.402 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 176.5 | -174.2 | 177.3 | -157.9 | 0 | 0 | 111.5 | F209 S215 M216 L217 | F209-E213 PolarHBondContact O-N 3.08Å; E213-S215 VanDerWaalsContact C-N 3.29Å; E213-S215 PolarHBondContact O-N 3.46Å; E213-M216 PolarHBondContact O-N 3.02Å; E213-M216 VanDerWaalsContact O-N 3.15Å; E213-L217 HydrophobicContact CG-CD1 4.1Å; E213-L217 HydrophobicContact CG-CG 4.35Å; E213-L217 WeakPolarHBondContact O-CB 3.31Å; E213-L217 WeakPolarHBondContact O-CG 3.25Å; E213-L217 PolarHBondContact O-N 3.46Å |
| 214 | K | 89.1 | Confident | 82.7 | Confident | 145 Ų | 145 | 105.9 Ų | 105.9 | 63% | 0.63 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -55.8 | -44.8 | 173 | -179 | -179.2 | 177.4 | -179.4 | 0 | 111.2 | L210 T211 A212 L217 Q218 | L210-K214 WeakPolarHBondContact O-CB 3.13Å; L210-K214 PolarHBondContact O-N 3.12Å; T211-K214 PolarHBondContact O-N 2.98Å; A212-K214 PolarHBondContact O-N 2.86Å; K214-L217 PolarHBondContact O-N 3.37Å; K214-Q218 VanDerWaalsContact O-CB 3.24Å; K214-Q218 WeakPolarHBondContact O-CB 3.44Å; K214-Q218 PolarHBondContact O-N 2.88Å |
| 215 | S | 88.8 | Confident | 80 | Confident | 66 Ų | 66 | 103 Ų | 103 | 46% | 0.462 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 177.5 | 78 | 0 | 0 | 0 | 0 | 112.3 | T211 A212 E213 Q218 E219 | T211-S215 PolarHBondContact O-N 3.28Å; A212-S215 PolarHBondContact O-N 3.27Å; A212-S215 VanDerWaalsContact O-N 3.16Å; A212-S215 PolarHBondContact O-OG 2.83Å; E213-S215 VanDerWaalsContact C-N 3.29Å; E213-S215 PolarHBondContact O-N 3.46Å; S215-Q218 PolarHBondContact O-N 3.25Å; S215-E219 WeakPolarHBondContact O-CB 3.38Å; S215-E219 PolarHBondContact O-N 3.3Å |
| 216 | M | 84.6 | Confident | 77 | Confident | 94 Ų | 94 | 104 Ų | 104 | 46% | 0.463 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.4 | -42 | 175.5 | -71.9 | -155.8 | 84.9 | 0 | 0 | 112.4 | A212 E213 Q218 E219 R220 | A212-M216 WeakPolarHBondContact O-CG 3.28Å; A212-M216 PolarHBondContact O-N 3.35Å; E213-M216 PolarHBondContact O-N 3.02Å; E213-M216 VanDerWaalsContact O-N 3.15Å; M216-Q218 VanDerWaalsContact C-N 3.33Å; M216-E219 PolarHBondContact O-N 2.93Å; M216-R220 WeakPolarHBondContact O-CB 3.5Å; M216-R220 VanDerWaalsContact O-CG 3.25Å; M216-R220 WeakPolarHBondContact O-CG 3.25Å; M216-R220 PolarHBondContact O-N 3.44Å |
| 217 | L | 84.8 | Confident | 74.6 | Confident | 88 Ų | 88 | 104.7 Ų | 104.7 | 46% | 0.461 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.1 | -39 | 177.1 | -71.1 | 175.2 | 0 | 0 | 0 | 110.9 | E213 K214 R220 L221 | E213-L217 HydrophobicContact CG-CD1 4.1Å; E213-L217 HydrophobicContact CG-CG 4.35Å; E213-L217 WeakPolarHBondContact O-CB 3.31Å; E213-L217 WeakPolarHBondContact O-CG 3.25Å; E213-L217 PolarHBondContact O-N 3.46Å; K214-L217 PolarHBondContact O-N 3.37Å; L217-R220 PolarHBondContact O-N 3.43Å; L217-L221 WeakPolarHBondContact O-CB 3.33Å; L217-L221 PolarHBondContact O-N 3.06Å |
| 218 | Q | 82.2 | Confident | 71.8 | Confident | 120 Ų | 120 | 105.7 Ų | 105.7 | 56% | 0.561 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.5 | -40.5 | 173.9 | -167.6 | 167.1 | -6 | 0 | 0 | 111.4 | K214 S215 M216 L221 V222 | K214-Q218 VanDerWaalsContact O-CB 3.24Å; K214-Q218 WeakPolarHBondContact O-CB 3.44Å; K214-Q218 PolarHBondContact O-N 2.88Å; S215-Q218 PolarHBondContact O-N 3.25Å; M216-Q218 VanDerWaalsContact C-N 3.33Å; Q218-L221 PolarHBondContact O-N 3.04Å; Q218-V222 VanDerWaalsContact O-CG2 3.29Å; Q218-V222 WeakPolarHBondContact O-CG2 3.4Å; Q218-V222 PolarHBondContact O-N 3.45Å |
| 219 | E | 74.4 | Confident | 69.7 | Low | 81 Ų | 81 | 108.2 Ų | 108.2 | 38% | 0.379 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66 | -37.8 | 173.5 | -167.6 | -179 | -164.9 | 0 | 0 | 112.2 | S215 M216 V222 R223 | S215-E219 WeakPolarHBondContact O-CB 3.38Å; S215-E219 PolarHBondContact O-N 3.3Å; M216-E219 PolarHBondContact O-N 2.93Å; E219-V222 PolarHBondContact O-N 3.06Å; E219-R223 VanDerWaalsContact O-CB 3.3Å; E219-R223 WeakPolarHBondContact O-CB 3.29Å; E219-R223 WeakPolarHBondContact O-CG 3.03Å; E219-R223 PolarHBondContact O-N 3.3Å; E219-R223 IonicContact OE1-CZ 3.78Å; E219-R223 IonicContact OE1-NH1 2.95Å; E219-R223 PolarHBondContact OE1-NH1 3.05Å; E219-R223 IonicContact OE1-NH2 2.69Å; E219-R223 PolarHBondContact OE1-NH2 3.18Å; E219-R223 IonicContact OE2-NH1 3.45Å |
| 220 | R | 70.7 | Confident | 67.3 | Low | 150 Ų | 150 | 109.9 Ų | 109.9 | 57% | 0.566 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.8 | -37 | 173.3 | -74.5 | 179.1 | -144.8 | 173 | 7.4 | 112.5 | M216 L217 V222 R223 S224 | M216-R220 WeakPolarHBondContact O-CB 3.5Å; M216-R220 VanDerWaalsContact O-CG 3.25Å; M216-R220 WeakPolarHBondContact O-CG 3.25Å; M216-R220 PolarHBondContact O-N 3.44Å; L217-R220 PolarHBondContact O-N 3.43Å; R220-V222 VanDerWaalsContact C-N 3.31Å; R220-R223 CarbonylContact O-C 3.59Å; R220-R223 PolarHBondContact O-N 3.23Å; R220-S224 PolarHBondContact O-N 3.14Å |
| 221 | L | 63.6 | Low | 65.2 | Low | 135 Ų | 135 | 111.1 Ų | 111.1 | 71% | 0.707 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.8 | -34 | 174.8 | -167.1 | 72.9 | 0 | 0 | 0 | 111.5 | L217 Q218 S224 | L217-L221 WeakPolarHBondContact O-CB 3.33Å; L217-L221 PolarHBondContact O-N 3.06Å; Q218-L221 PolarHBondContact O-N 3.04Å; L221-S224 PolarHBondContact O-OG 3.02Å; L221-S224 VanDerWaalsContact O-OG 3.09Å |
| 222 | V | 62.8 | Low | 62.4 | Low | 125 Ų | 125 | 117.1 Ų | 117.1 | 76% | 0.758 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -75.8 | -25.9 | 173 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | Q218 E219 R220 | Q218-V222 VanDerWaalsContact O-CG2 3.29Å; Q218-V222 WeakPolarHBondContact O-CG2 3.4Å; Q218-V222 PolarHBondContact O-N 3.45Å; E219-V222 PolarHBondContact O-N 3.06Å; R220-V222 VanDerWaalsContact C-N 3.31Å |
| 223 | R | 53.1 | Low | 59.9 | Low | 169 Ų | 169 | 122.4 Ų | 122.4 | 64% | 0.638 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -97.5 | 6.3 | -179.2 | -73.8 | -175.1 | 176.8 | 143.3 | 11.3 | 115.4 | E219 R220 C225 | E219-R223 VanDerWaalsContact O-CB 3.3Å; E219-R223 WeakPolarHBondContact O-CB 3.29Å; E219-R223 WeakPolarHBondContact O-CG 3.03Å; E219-R223 PolarHBondContact O-N 3.3Å; E219-R223 IonicContact OE1-CZ 3.78Å; E219-R223 IonicContact OE1-NH1 2.95Å; E219-R223 PolarHBondContact OE1-NH1 3.05Å; E219-R223 IonicContact OE1-NH2 2.69Å; E219-R223 PolarHBondContact OE1-NH2 3.18Å; E219-R223 IonicContact OE2-NH1 3.45Å; R220-R223 CarbonylContact O-C 3.59Å; R220-R223 PolarHBondContact O-N 3.23Å; R223-C225 PolarHBondContact O-N 2.83Å |
| 224 | S | 43.1 | Very low | 57.2 | Low | 87 Ų | 87 | 123.9 Ų | 123.9 | 61% | 0.608 | 67% | 0.671 | S | S | * | * | trans | -75 | 71.2 | 173.8 | 52.3 | 0 | 0 | 0 | 0 | 111.9 | R220 L221 | R220-S224 PolarHBondContact O-N 3.14Å; L221-S224 PolarHBondContact O-OG 3.02Å; L221-S224 VanDerWaalsContact O-OG 3.09Å | ||
| 225 | C | 38.4 | Very low | 55 | Low | 120 Ų | 120 | 128.7 Ų | 128.7 | 81% | 0.811 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -136.7 | 98 | 152.9 | -83.5 | 0 | 0 | 0 | 0 | 107.2 | R223 | R223-C225 PolarHBondContact O-N 2.83Š|
| 226 | S | 32.8 | Very low | 52.7 | Low | 121 Ų | 121 | 131.4 Ų | 131.4 | 85% | 0.846 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 76.7 | 154.8 | 162.6 | -68.7 | 0 | 0 | 0 | 0 | 120.1 | ||
| 227 | P | 45.7 | Very low | 50.5 | Low | 113 Ų | 113 | 132.7 Ų | 132.7 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | trans | -109.8 | 148.9 | -138.4 | 39 | -31.1 | 0 | 0 | 0 | 115.8 | ||||
| 228 | S | 36.7 | Very low | 48.3 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | trans | 30.4 | 144.8 | 148.3 | 57.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 229 | P | 49.8 | Very low | 46.6 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 81% | 0.805 | 74% | 0.744 | S | S | * | * | cis | -147.9 | 168.1 | 49 | 35.5 | -12.4 | 0 | 0 | 0 | 118.4 | ||||
| 230 | L | 44.3 | Very low | 45.1 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -48.5 | 159.2 | 160.2 | -76.9 | 165.6 | 0 | 0 | 0 | 112.1 | ||||
| 231 | P | 49.9 | Very low | 43.8 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | -159.8 | -178.8 | 57.2 | 40.8 | -17.2 | 0 | 0 | 0 | 119.1 | |||||
| 232 | R | 34.8 | Very low | 42.6 | Very low | 210 Ų | 210 | 139.5 Ų | 139.5 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | 104.6 | 111.4 | 148.8 | -75.4 | -177.8 | 179.8 | -147.1 | 2.1 | 119.8 | ||||
| 233 | Q | 38.2 | Very low | 42.2 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | 69.6 | 105.4 | 110.2 | -156.1 | 171.4 | 30 | 0 | 0 | 118.1 | |||||
| 234 | S | 33.3 | Very low | 42.4 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -164.5 | 117.6 | 134.9 | 5.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 235 | R | 43.3 | Very low | 43.6 | Very low | 246 Ų | 246 | 137 Ų | 137 | 93% | 0.928 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 136.9 | 159.4 | -80.9 | 176.1 | 167.2 | -168.4 | -4.3 | 108.2 | ||
| 236 | P | 40.3 | Very low | 45.2 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 132.2 | 153 | 13.3 | 3.7 | 0 | 0 | 0 | 109.5 | ||
| 237 | S | 38.9 | Very low | 47.1 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 130.8 | 166.2 | -66.9 | 0 | 0 | 0 | 0 | 110.6 | ||
| 238 | S | 37.9 | Very low | 48.4 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 74% | 0.741 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 141.2 | 168.9 | 50 | 0 | 0 | 0 | 0 | 110.8 | ||
| 239 | P | 46.7 | Very low | 50.5 | Low | 124 Ų | 124 | 126.8 Ų | 126.8 | 81% | 0.805 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 149.3 | 173.7 | -12.4 | 26.9 | 0 | 0 | 0 | 111.2 | ||
| 240 | L | 43.7 | Very low | 51.9 | Low | 173 Ų | 173 | 126.9 Ų | 126.9 | 91% | 0.906 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -48 | 135.5 | 172.5 | -70.1 | 154.2 | 0 | 0 | 0 | 111.1 | S242 | L240-S242 PolarHBondContact O-N 3.25Š|
| 241 | K | 41.9 | Very low | 53.9 | Low | 206 Ų | 206 | 121.3 Ų | 121.3 | 90% | 0.896 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 118.6 | 176.3 | -73.8 | 172.4 | 171.8 | 176.6 | 0 | 110.8 | E243 | K241-E243 PolarHBondContact O-N 2.86Š|
| 242 | S | 38.7 | Very low | 55.7 | Low | 108 Ų | 108 | 117.2 Ų | 117.2 | 76% | 0.755 | 62% | 0.62 | S | S | * | * | trans | -70.3 | 114.4 | 157.9 | 60.8 | 0 | 0 | 0 | 0 | 107.7 | L240 S244 | L240-S242 PolarHBondContact O-N 3.25Å; S242-S244 PolarHBondContact O-N 2.71Å | ||
| 243 | E | 54 | Low | 58.3 | Low | 159 Ų | 159 | 111.8 Ų | 111.8 | 74% | 0.743 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -60 | 122.6 | 164.7 | -86.2 | 163.4 | 158.1 | 0 | 0 | 108.3 | K241 | K241-E243 PolarHBondContact O-N 2.86Š|
| 244 | S | 57.4 | Low | 60.8 | Low | 98 Ų | 98 | 106.6 Ų | 106.6 | 69% | 0.685 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -65 | 128.9 | 175.4 | -58.5 | 0 | 0 | 0 | 0 | 108.6 | S242 T246 | S242-S244 PolarHBondContact O-N 2.71Å; S244-T246 PolarHBondContact O-N 3.15Å |
| 245 | P | 69.3 | Low | 63.7 | Low | 71 Ų | 71 | 102 Ų | 102 | 46% | 0.461 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 136.7 | -178.1 | 21.6 | -30.9 | 0 | 0 | 0 | 111.8 | Q249 L250 | P245-Q249 HydrophobicContact CB-CB 4.3Å; P245-Q249 VanDerWaalsContact CB-OE1 3.26Å; P245-L250 HydrophobicContact CB-CD2 4.42Å; P245-L250 HydrophobicContact CG-CD2 3.95Å; P245-L250 HydrophobicContact CG-CG 4.42Å |
| 246 | T | 72.3 | Confident | 66.2 | Low | 9 Ų | 9 | 92.2 Ų | 92.2 | 6% | 0.055 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 155.2 | 178.7 | -45.9 | 0 | 0 | 0 | 0 | 110.5 | S244 A248 Q249 L250 E326 D334 | S244-T246 PolarHBondContact O-N 3.15Å; T246-A248 VanDerWaalsContact C-N 3.26Å; T246-A248 PolarHBondContact O-N 3.49Å; T246-Q249 VanDerWaalsContact N-OE1 3.08Å; T246-Q249 WeakPolarHBondContact O-CB 3.22Å; T246-Q249 PolarHBondContact O-N 3.43Å; T246-L250 PolarHBondContact O-N 3.44Å; T246-L250 VanDerWaalsContact O-N 3.08Å; T246-E326 WeakPolarHBondContact CG2-OE2 3.4Å; T246-E326 PolarHBondContact OG1-OE2 3.38Å; T246-D334 HydrophobicContact CG2-CB 3.75Å |
| 247 | R | 71.8 | Confident | 68.8 | Low | 160 Ų | 160 | 89.3 Ų | 89.3 | 60% | 0.604 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -57.8 | -36.7 | 180 | -176.7 | -178.5 | 178.5 | 87.9 | -0.3 | 112.8 | Q249 L250 T251 | R247-Q249 VanDerWaalsContact C-N 3.31Å; R247-Q249 PolarHBondContact O-N 2.9Å; R247-L250 PolarHBondContact O-N 3.42Å; R247-T251 PolarHBondContact O-N 3.02Å; R247-T251 VanDerWaalsContact O-N 3.15Å; R247-T251 PolarHBondContact O-OG1 2.9Å |
| 248 | A | 73.8 | Confident | 71.5 | Confident | 5 Ų | 5 | 90.2 Ų | 90.2 | 4% | 0.041 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -53.7 | -46.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T246 T251 N252 V333 D334 V337 | T246-A248 VanDerWaalsContact C-N 3.26Å; T246-A248 PolarHBondContact O-N 3.49Å; A248-T251 PolarHBondContact O-N 3.38Å; A248-T251 PolarHBondContact O-OG1 2.81Å; A248-N252 WeakPolarHBondContact O-CB 3.25Å; A248-N252 PolarHBondContact O-N 3.27Å; A248-V333 HydrophobicContact CB-CG1 4.33Å; A248-D334 HydrophobicContact CB-CB 4.44Å; A248-D334 PolarHBondContact N-OD1 3.04Å; A248-V337 HydrophobicContact CB-CG2 4.32Å |
| 249 | Q | 79.3 | Confident | 74.3 | Confident | 75 Ų | 75 | 86.1 Ų | 86.1 | 35% | 0.35 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 179 | -62.9 | 172 | -14.6 | 0 | 0 | 111.5 | P245 T246 R247 T251 N252 | P245-Q249 HydrophobicContact CB-CB 4.3Å; P245-Q249 VanDerWaalsContact CB-OE1 3.26Å; T246-Q249 VanDerWaalsContact N-OE1 3.08Å; T246-Q249 WeakPolarHBondContact O-CB 3.22Å; T246-Q249 PolarHBondContact O-N 3.43Å; R247-Q249 VanDerWaalsContact C-N 3.31Å; R247-Q249 PolarHBondContact O-N 2.9Å; Q249-T251 PolarHBondContact O-N 3.2Å; Q249-N252 WeakPolarHBondContact O-CB 3.4Å; Q249-N252 PolarHBondContact O-N 3.06Å |
| 250 | L | 80 | Confident | 76.7 | Confident | 126 Ų | 126 | 81.4 Ų | 81.4 | 66% | 0.66 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -60.7 | -30.9 | 178.5 | -70.6 | 174.7 | 0 | 0 | 0 | 113.3 | P245 T246 R247 | P245-L250 HydrophobicContact CB-CD2 4.42Å; P245-L250 HydrophobicContact CG-CD2 3.95Å; P245-L250 HydrophobicContact CG-CG 4.42Å; T246-L250 PolarHBondContact O-N 3.44Å; T246-L250 VanDerWaalsContact O-N 3.08Å; R247-L250 PolarHBondContact O-N 3.42Å |
| 251 | T | 85.6 | Confident | 79.3 | Confident | 40 Ų | 40 | 76.1 Ų | 76.1 | 25% | 0.245 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -96.8 | -8.6 | -179.5 | 61.3 | 0 | 0 | 0 | 0 | 113.6 | R247 A248 Q249 S253 S254 R255 | R247-T251 PolarHBondContact O-N 3.02Å; R247-T251 VanDerWaalsContact O-N 3.15Å; R247-T251 PolarHBondContact O-OG1 2.9Å; A248-T251 PolarHBondContact O-N 3.38Å; A248-T251 PolarHBondContact O-OG1 2.81Å; Q249-T251 PolarHBondContact O-N 3.2Å; T251-S253 PolarHBondContact O-N 3.48Å; T251-S254 PolarHBondContact O-N 3.43Å; T251-S254 PolarHBondContact O-OG 2.76Å; T251-R255 WeakPolarHBondContact O-CG 3.31Å; T251-R255 PolarHBondContact O-N 2.91Å |
| 252 | N | 88.8 | Confident | 81.9 | Confident | 23 Ų | 23 | 70.4 Ų | 70.4 | 12% | 0.123 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58 | -51.4 | -169.1 | -175.1 | 30.8 | 0 | 0 | 0 | 112.5 | A248 Q249 S254 R255 H256 L390 D391 | A248-N252 WeakPolarHBondContact O-CB 3.25Å; A248-N252 PolarHBondContact O-N 3.27Å; Q249-N252 WeakPolarHBondContact O-CB 3.4Å; Q249-N252 PolarHBondContact O-N 3.06Å; N252-S254 VanDerWaalsContact C-N 3.3Å; N252-S254 PolarHBondContact O-N 2.86Å; N252-R255 WeakPolarHBondContact O-CB 3.26Å; N252-R255 PolarHBondContact O-N 2.84Å; N252-H256 WeakPolarHBondContact O-CB 3.22Å; N252-H256 PolarHBondContact O-N 3.38Å; N252-L390 WeakPolarHBondContact OD1-CD2 3.49Å; N252-D391 VanDerWaalsContact ND2-CB 3.31Å; N252-D391 WeakPolarHBondContact ND2-CB 3.39Å; N252-D391 PolarHBondContact ND2-OD2 3.47Å |
| 253 | S | 89.1 | Confident | 84.7 | Confident | 96 Ų | 96 | 65.2 Ų | 65.2 | 67% | 0.671 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58.5 | -40.4 | -179.7 | -47.3 | 0 | 0 | 0 | 0 | 112.8 | T251 A257 | T251-S253 PolarHBondContact O-N 3.48Å; S253-A257 PolarHBondContact O-N 3.29Å; S253-A257 VanDerWaalsContact O-N 3.08Å |
| 254 | S | 91.8 | Very high | 86.8 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.4 | -36.8 | 177.8 | 81.3 | 0 | 0 | 0 | 0 | 112.1 | T251 N252 R258 | T251-S254 PolarHBondContact O-N 3.43Å; T251-S254 PolarHBondContact O-OG 2.76Å; N252-S254 VanDerWaalsContact C-N 3.3Å; N252-S254 PolarHBondContact O-N 2.86Å; S254-R258 WeakPolarHBondContact O-CG 3.49Å; S254-R258 PolarHBondContact O-N 3.47Å; S254-R258 VanDerWaalsContact O-N 3.12Å; S254-R258 PolarHBondContact O-NH1 3.29Å; S254-R258 PolarHBondContact OG-NH1 3.28Å; S254-R258 VanDerWaalsContact OG-NH1 3.09Å |
| 255 | R | 93.4 | Very high | 88.6 | Confident | 20 Ų | 20 | 57.8 Ų | 57.8 | 8% | 0.075 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -71 | -44.1 | 178 | -71.4 | 173.9 | 61.1 | -140 | -8.8 | 110.7 | T251 N252 R258 L259 V337 T389 L390 | T251-R255 WeakPolarHBondContact O-CG 3.31Å; T251-R255 PolarHBondContact O-N 2.91Å; N252-R255 WeakPolarHBondContact O-CB 3.26Å; N252-R255 PolarHBondContact O-N 2.84Å; R255-R258 VanDerWaalsContact CG-NH2 3.33Å; R255-R258 PolarHBondContact O-N 3.37Å; R255-L259 WeakPolarHBondContact O-CB 3.34Å; R255-L259 VanDerWaalsContact O-CG 3.3Å; R255-L259 WeakPolarHBondContact O-CG 3.39Å; R255-L259 PolarHBondContact O-N 2.66Å; R255-V337 VanDerWaalsContact NH1-CG1 3.27Å; R255-T389 PolarHBondContact NH1-O 3.45Å; R255-T389 PolarHBondContact NH2-OG1 3.28Å; R255-L390 HydrophobicContact CB-CD2 3.97Å |
| 256 | H | 95.3 | Very high | 90 | Very high | 42 Ų | 42 | 54.4 Ų | 54.4 | 19% | 0.194 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -53.6 | -54.8 | 174.1 | 179.1 | -79.5 | 0 | 0 | 0 | 110.6 | N252 R258 L259 V260 L390 E433 | N252-H256 WeakPolarHBondContact O-CB 3.22Å; N252-H256 PolarHBondContact O-N 3.38Å; H256-R258 VanDerWaalsContact C-N 3.35Å; H256-R258 PolarHBondContact O-N 2.94Å; H256-L259 PolarHBondContact O-N 3.49Å; H256-V260 WeakPolarHBondContact O-CG2 3.39Å; H256-V260 PolarHBondContact O-N 3.05Å; H256-L390 HydrophobicContact CB-CD1 4.34Å; H256-L390 HydrophobicContact CB-CD2 4.2Å; H256-E433 IonicContact NE2-OE1 3.29Å; H256-E433 IonicContact NE2-OE2 3.68Å |
| 257 | A | 94.6 | Very high | 91.1 | Very high | 61 Ų | 61 | 57.5 Ų | 57.5 | 50% | 0.504 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S253 S261 | S253-A257 PolarHBondContact O-N 3.29Å; S253-A257 VanDerWaalsContact O-N 3.08Å; A257-S261 PolarHBondContact O-N 3.12Å |
| 258 | R | 95.9 | Very high | 92.3 | Very high | 140 Ų | 140 | 52.4 Ų | 52.4 | 53% | 0.528 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 176.4 | -75 | -167.8 | -57.4 | -88.1 | 3.2 | 112.6 | S254 R255 H256 S261 R262 | S254-R258 WeakPolarHBondContact O-CG 3.49Å; S254-R258 PolarHBondContact O-N 3.47Å; S254-R258 VanDerWaalsContact O-N 3.12Å; S254-R258 PolarHBondContact O-NH1 3.29Å; S254-R258 PolarHBondContact OG-NH1 3.28Å; S254-R258 VanDerWaalsContact OG-NH1 3.09Å; R255-R258 VanDerWaalsContact CG-NH2 3.33Å; R255-R258 PolarHBondContact O-N 3.37Å; H256-R258 VanDerWaalsContact C-N 3.35Å; H256-R258 PolarHBondContact O-N 2.94Å; R258-S261 WeakPolarHBondContact O-CB 3.46Å; R258-S261 PolarHBondContact O-N 3.29Å; R258-R262 WeakPolarHBondContact O-CG 3.15Å; R258-R262 PolarHBondContact O-N 2.93Å |
| 259 | L | 97 | Very high | 93.3 | Very high | 20 Ų | 20 | 55.6 Ų | 55.6 | 11% | 0.105 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.8 | -38.7 | -179.7 | -72.7 | 167.8 | 0 | 0 | 0 | 112.1 | R255 H256 S261 R262 F263 V383 A386 M387 L390 | R255-L259 WeakPolarHBondContact O-CB 3.34Å; R255-L259 VanDerWaalsContact O-CG 3.3Å; R255-L259 WeakPolarHBondContact O-CG 3.39Å; R255-L259 PolarHBondContact O-N 2.66Å; H256-L259 PolarHBondContact O-N 3.49Å; L259-S261 VanDerWaalsContact C-N 3.32Å; L259-S261 PolarHBondContact O-N 3.49Å; L259-R262 PolarHBondContact O-N 3.39Å; L259-F263 WeakPolarHBondContact O-CB 3.31Å; L259-F263 PolarHBondContact O-N 3.24Å; L259-V383 HydrophobicContact CD2-CG1 4.43Å; L259-A386 HydrophobicContact CD1-CB 4.17Å; L259-A386 HydrophobicContact CD2-CB 3.66Å; L259-M387 HydrophobicContact CB-CE 4.27Å; L259-M387 HydrophobicContact CB-CG 4.11Å; L259-M387 HydrophobicContact CD1-CG 4.21Å; L259-M387 HydrophobicContact CD2-CG 4.45Å; L259-M387 HydrophobicContact CG-CG 4.49Å; L259-M387 WeakPolarHBondContact O-CE 3.32Å; L259-L390 HydrophobicContact CD1-CD1 3.9Å; L259-L390 HydrophobicContact CD1-CD2 3.98Å; L259-L390 HydrophobicContact CD1-CG 4.02Å |
| 260 | V | 97.4 | Very high | 94.2 | Very high | 25 Ų | 25 | 53.6 Ų | 53.6 | 15% | 0.152 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 172.1 | 173 | 0 | 0 | 0 | 0 | 110.9 | H256 F263 S264 L394 L431 I438 V439 | H256-V260 WeakPolarHBondContact O-CG2 3.39Å; H256-V260 PolarHBondContact O-N 3.05Å; V260-F263 PolarHBondContact O-N 3.43Å; V260-S264 PolarHBondContact O-N 3.21Å; V260-S264 VanDerWaalsContact O-N 3.11Å; V260-S264 PolarHBondContact O-OG 3.1Å; V260-L394 HydrophobicContact CG2-CD1 3.78Å; V260-L431 HydrophobicContact CG2-CD2 4.3Å; V260-I438 HydrophobicContact CG1-CG2 4.1Å; V260-I438 HydrophobicContact CG2-CG2 3.98Å; V260-V439 HydrophobicContact CG1-CG2 3.73Å |
| 261 | S | 97.1 | Very high | 94.9 | Very high | 63 Ų | 63 | 48.6 Ų | 48.6 | 44% | 0.441 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.4 | -48.4 | 173.5 | -168.8 | 0 | 0 | 0 | 0 | 111.4 | A257 R258 L259 F263 S264 D265 | A257-S261 PolarHBondContact O-N 3.12Å; R258-S261 WeakPolarHBondContact O-CB 3.46Å; R258-S261 PolarHBondContact O-N 3.29Å; L259-S261 VanDerWaalsContact C-N 3.32Å; L259-S261 PolarHBondContact O-N 3.49Å; S261-F263 VanDerWaalsContact C-N 3.29Å; S261-F263 PolarHBondContact O-N 3.12Å; S261-S264 CarbonylContact O-C 3.56Å; S261-S264 WeakPolarHBondContact O-CA 3.36Å; S261-S264 WeakPolarHBondContact O-CB 3.42Å; S261-S264 PolarHBondContact O-N 2.94Å; S261-D265 PolarHBondContact O-N 3.41Å |
| 262 | R | 97.4 | Very high | 95.4 | Very high | 85 Ų | 85 | 50.7 Ų | 50.7 | 32% | 0.321 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.2 | -34.6 | 178.9 | -72.2 | -60.4 | -64 | 145.1 | 0.1 | 112.7 | R258 L259 S264 D265 L266 E270 E379 V383 | R258-R262 WeakPolarHBondContact O-CG 3.15Å; R258-R262 PolarHBondContact O-N 2.93Å; L259-R262 PolarHBondContact O-N 3.39Å; R262-S264 VanDerWaalsContact C-N 3.31Å; R262-D265 IonicContact CZ-OD2 3.94Å; R262-D265 IonicContact NH1-OD2 3.14Å; R262-D265 PolarHBondContact NH1-OD2 2.84Å; R262-D265 WeakPolarHBondContact O-CB 3.3Å; R262-D265 PolarHBondContact O-N 2.87Å; R262-L266 WeakPolarHBondContact O-CG 3.45Å; R262-L266 PolarHBondContact O-N 3.03Å; R262-E270 IonicContact CZ-OE1 3.57Å; R262-E270 IonicContact NH1-OE1 3.86Å; R262-E270 IonicContact NH2-OE1 2.96Å; R262-E270 PolarHBondContact NH2-OE1 2.92Å; R262-E270 VanDerWaalsContact NH2-OE1 3.07Å; R262-E379 IonicContact NH2-OE1 3.92Å; R262-E379 PolarHBondContact NH2-OE1 2.91Å; R262-V383 HydrophobicContact CB-CG2 4.35Å |
| 263 | F | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.5 | -36.5 | 172.2 | -175.2 | -100.3 | 0 | 0 | 0 | 112.8 | L259 V260 S261 L266 Y267 F300 M387 L396 W428 P429 L431 V439 | L259-F263 WeakPolarHBondContact O-CB 3.31Å; L259-F263 PolarHBondContact O-N 3.24Å; V260-F263 PolarHBondContact O-N 3.43Å; S261-F263 VanDerWaalsContact C-N 3.29Å; S261-F263 PolarHBondContact O-N 3.12Å; F263-L266 PolarHBondContact O-N 3.02Å; F263-Y267 PolarHBondContact O-N 3.39Å; F263-F300 HydrophobicContact CD2-CE2 4.3Å; F263-F300 AromaticContact CD2-CZ 3.91Å; F263-F300 HydrophobicContact CD2-CZ 3.91Å; F263-F300 AromaticContact CE2-CE2 3.93Å; F263-F300 HydrophobicContact CE2-CE2 3.93Å; F263-F300 AromaticContact CE2-CZ 3.74Å; F263-F300 HydrophobicContact CE2-CZ 3.74Å; F263-M387 HydrophobicContact CB-CE 3.58Å; F263-M387 HydrophobicContact CD2-CE 4.06Å; F263-M387 HydrophobicContact CG-CE 4.04Å; F263-L396 HydrophobicContact CE2-CD2 3.96Å; F263-L396 HydrophobicContact CZ-CD2 3.96Å; F263-W428 HydrophobicContact CD2-CZ2 4.31Å; F263-W428 HydrophobicContact CE1-CZ2 4.4Å; F263-W428 AromaticContact CE1-NE1 3.19Å; F263-W428 AromaticContact CE2-CZ2 3.85Å; F263-W428 HydrophobicContact CE2-CZ2 3.85Å; F263-W428 AromaticContact CZ-CE2 3.75Å; F263-W428 AromaticContact CZ-CZ2 3.91Å; F263-W428 HydrophobicContact CZ-CZ2 3.91Å; F263-W428 AromaticContact CZ-NE1 3.21Å; F263-P429 HydrophobicContact CZ-CG 4.36Å; F263-L431 HydrophobicContact CB-CD2 4.37Å; F263-L431 HydrophobicContact CD1-CB 4.06Å; F263-L431 HydrophobicContact CD1-CD1 4.48Å; F263-L431 HydrophobicContact CD1-CD2 3.95Å; F263-L431 HydrophobicContact CD1-CG 4.41Å; F263-L431 HydrophobicContact CD2-CD1 4.31Å; F263-L431 HydrophobicContact CE1-CB 3.74Å; F263-L431 HydrophobicContact CE1-CD1 4.41Å; F263-L431 HydrophobicContact CE1-CD2 4.46Å; F263-L431 HydrophobicContact CE1-CG 4.44Å; F263-L431 HydrophobicContact CE2-CD1 4.24Å; F263-L431 HydrophobicContact CG-CD1 4.42Å; F263-L431 HydrophobicContact CG-CD2 4.11Å; F263-L431 HydrophobicContact CZ-CB 4.22Å; F263-L431 HydrophobicContact CZ-CD1 4.28Å; F263-V439 HydrophobicContact CD1-CB 4.38Å; F263-V439 HydrophobicContact CD1-CG1 4.36Å; F263-V439 HydrophobicContact CD1-CG2 4.47Å; F263-V439 HydrophobicContact CE1-CB 4.43Å; F263-V439 HydrophobicContact CE1-CG1 4.38Å |
| 264 | S | 96.9 | Very high | 96.1 | Very high | 46 Ų | 46 | 50.8 Ų | 50.8 | 32% | 0.322 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.9 | -36.8 | 174.2 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | V260 S261 R262 Y267 A268 | V260-S264 PolarHBondContact O-N 3.21Å; V260-S264 VanDerWaalsContact O-N 3.11Å; V260-S264 PolarHBondContact O-OG 3.1Å; S261-S264 CarbonylContact O-C 3.56Å; S261-S264 WeakPolarHBondContact O-CA 3.36Å; S261-S264 WeakPolarHBondContact O-CB 3.42Å; S261-S264 PolarHBondContact O-N 2.94Å; R262-S264 VanDerWaalsContact C-N 3.31Å; S264-Y267 WeakPolarHBondContact O-CB 3.46Å; S264-Y267 PolarHBondContact O-N 2.96Å; S264-A268 WeakPolarHBondContact O-CB 3.44Å; S264-A268 PolarHBondContact O-N 3.02Å |
| 265 | D | 96.9 | Very high | 96.3 | Very high | 55 Ų | 55 | 50 Ų | 50 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63 | -46.4 | 172.8 | -60.9 | -19.9 | 0 | 0 | 0 | 111 | S261 R262 Y267 A268 V269 E270 | S261-D265 PolarHBondContact O-N 3.41Å; R262-D265 IonicContact CZ-OD2 3.94Å; R262-D265 IonicContact NH1-OD2 3.14Å; R262-D265 PolarHBondContact NH1-OD2 2.84Å; R262-D265 WeakPolarHBondContact O-CB 3.3Å; R262-D265 PolarHBondContact O-N 2.87Å; D265-Y267 PolarHBondContact O-N 2.83Å; D265-Y267 VanDerWaalsContact O-N 3.12Å; D265-A268 CarbonylContact O-C 3.57Å; D265-A268 PolarHBondContact O-N 2.97Å; D265-V269 PolarHBondContact O-N 3.32Å; D265-E270 VanDerWaalsContact C-OE2 3.24Å |
| 266 | L | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -51.5 | -39.3 | 176.2 | -77.2 | 176.9 | 0 | 0 | 0 | 112 | R262 F263 E270 R271 E379 V383 W428 | R262-L266 WeakPolarHBondContact O-CG 3.45Å; R262-L266 PolarHBondContact O-N 3.03Å; F263-L266 PolarHBondContact O-N 3.02Å; L266-E270 VanDerWaalsContact CA-OE2 3.25Å; L266-E270 WeakPolarHBondContact CA-OE2 3.27Å; L266-E270 HydrophobicContact CD2-CB 3.98Å; L266-E270 HydrophobicContact CD2-CG 4Å; L266-E270 PolarHBondContact N-OE2 3.41Å; L266-R271 WeakPolarHBondContact O-CB 3.32Å; L266-R271 PolarHBondContact O-N 3.29Å; L266-E379 HydrophobicContact CD2-CB 4.28Å; L266-E379 HydrophobicContact CD2-CG 3.87Å; L266-V383 HydrophobicContact CD1-CB 4.01Å; L266-V383 HydrophobicContact CD1-CG1 4.12Å; L266-V383 HydrophobicContact CD1-CG2 3.99Å; L266-W428 HydrophobicContact CB-CH2 3.93Å; L266-W428 HydrophobicContact CB-CZ2 4.03Å |
| 267 | Y | 96.5 | Very high | 96.3 | Very high | 74 Ų | 74 | 52.5 Ų | 52.5 | 29% | 0.29 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -72 | -40.5 | 175.2 | 170.6 | -103.5 | 0 | 0 | 0 | 113.5 | F263 S264 D265 R271 W428 E442 | F263-Y267 PolarHBondContact O-N 3.39Å; S264-Y267 WeakPolarHBondContact O-CB 3.46Å; S264-Y267 PolarHBondContact O-N 2.96Å; D265-Y267 PolarHBondContact O-N 2.83Å; D265-Y267 VanDerWaalsContact O-N 3.12Å; Y267-R271 WeakPolarHBondContact O-CB 3.36Å; Y267-R271 PolarHBondContact O-NE 3.47Å; Y267-W428 HydrophobicContact CD2-CB 3.63Å; Y267-W428 AromaticContact CD2-CD1 3.78Å; Y267-W428 AromaticContact CD2-CD2 3.59Å; Y267-W428 HydrophobicContact CD2-CD2 3.59Å; Y267-W428 HydrophobicContact CD2-CE3 4.09Å; Y267-W428 AromaticContact CD2-CG 3.37Å; Y267-W428 HydrophobicContact CD2-CG 3.37Å; Y267-W428 HydrophobicContact CE2-CB 3.82Å; Y267-W428 HydrophobicContact CE2-CG 4.07Å; Y267-W428 HydrophobicContact CG-CD2 4.22Å; Y267-W428 HydrophobicContact CG-CG 4.14Å; Y267-E442 HydrophobicContact CE2-CB 4.41Å; Y267-E442 WeakPolarHBondContact CE2-OE2 3.23Å; Y267-E442 VanDerWaalsContact CZ-OE2 3.24Å; Y267-E442 PolarHBondContact OH-OE2 3.12Å |
| 268 | A | 95.6 | Very high | 96.3 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 44% | 0.438 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -81.3 | -31 | -173 | 0 | 0 | 0 | 0 | 0 | 113.5 | S264 D265 L272 | S264-A268 WeakPolarHBondContact O-CB 3.44Å; S264-A268 PolarHBondContact O-N 3.02Å; D265-A268 CarbonylContact O-C 3.57Å; D265-A268 PolarHBondContact O-N 2.97Å; A268-L272 WeakPolarHBondContact O-CD1 3.41Å |
| 269 | V | 95.9 | Very high | 96.2 | Very high | 71 Ų | 71 | 48 Ų | 48 | 43% | 0.43 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -70.8 | -171.7 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | D265 R271 L272 E273 | D265-V269 PolarHBondContact O-N 3.32Å; V269-R271 VanDerWaalsContact C-N 3.28Å; V269-R271 PolarHBondContact O-N 2.85Å; V269-L272 PolarHBondContact O-N 3.38Å; V269-E273 PolarHBondContact O-N 3.17Å |
| 270 | E | 97.1 | Very high | 96 | Very high | 33 Ų | 33 | 56.2 Ų | 56.2 | 15% | 0.154 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.2 | -33.4 | -169.5 | -66.6 | 86.8 | 158.2 | 0 | 0 | 112.2 | R262 D265 L266 E273 A274 F376 | R262-E270 IonicContact CZ-OE1 3.57Å; R262-E270 IonicContact NH1-OE1 3.86Å; R262-E270 IonicContact NH2-OE1 2.96Å; R262-E270 PolarHBondContact NH2-OE1 2.92Å; R262-E270 VanDerWaalsContact NH2-OE1 3.07Å; D265-E270 VanDerWaalsContact C-OE2 3.24Å; L266-E270 VanDerWaalsContact CA-OE2 3.25Å; L266-E270 WeakPolarHBondContact CA-OE2 3.27Å; L266-E270 HydrophobicContact CD2-CB 3.98Å; L266-E270 HydrophobicContact CD2-CG 4Å; L266-E270 PolarHBondContact N-OE2 3.41Å; E270-E273 PolarHBondContact O-N 2.94Å; E270-A274 WeakPolarHBondContact O-CB 3.31Å; E270-A274 PolarHBondContact O-N 3.14Å; E270-F376 HydrophobicContact CB-CD2 3.95Å; E270-F376 HydrophobicContact CB-CE2 4.44Å |
| 271 | R | 96.5 | Very high | 95.6 | Very high | 22 Ų | 22 | 60.7 Ų | 60.7 | 8% | 0.083 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 172.4 | -175.2 | -159.7 | 65.7 | 81 | -5.7 | 112.2 | L266 Y267 V269 Q275 I292 W428 | L266-R271 WeakPolarHBondContact O-CB 3.32Å; L266-R271 PolarHBondContact O-N 3.29Å; Y267-R271 WeakPolarHBondContact O-CB 3.36Å; Y267-R271 PolarHBondContact O-NE 3.47Å; V269-R271 VanDerWaalsContact C-N 3.28Å; V269-R271 PolarHBondContact O-N 2.85Å; R271-Q275 VanDerWaalsContact O-CB 3.29Å; R271-Q275 WeakPolarHBondContact O-CB 3.44Å; R271-Q275 PolarHBondContact O-N 2.95Å; R271-I292 HydrophobicContact CG-CG2 3.77Å; R271-W428 HydrophobicContact CB-CZ3 4.14Å; R271-W428 HydrophobicContact CG-CE3 4.15Å; R271-W428 HydrophobicContact CG-CZ3 4.09Å |
| 272 | L | 95.9 | Very high | 95.4 | Very high | 83 Ų | 83 | 58.4 Ų | 58.4 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69.3 | -38.8 | 179.2 | -77.9 | -180 | 0 | 0 | 0 | 111.3 | A268 V269 Q275 S276 | A268-L272 WeakPolarHBondContact O-CD1 3.41Å; V269-L272 PolarHBondContact O-N 3.38Å; L272-Q275 PolarHBondContact O-N 3.34Å; L272-S276 WeakPolarHBondContact O-CB 3.38Å; L272-S276 PolarHBondContact O-N 3.12Å |
| 273 | E | 96.1 | Very high | 95 | Very high | 115 Ų | 115 | 61.5 Ų | 61.5 | 54% | 0.537 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.9 | -50.4 | 173.5 | -68.2 | -177.9 | 173.9 | 0 | 0 | 110.9 | V269 E270 Q275 S276 L277 | V269-E273 PolarHBondContact O-N 3.17Å; E270-E273 PolarHBondContact O-N 2.94Å; E273-Q275 VanDerWaalsContact C-N 3.31Å; E273-Q275 PolarHBondContact O-N 2.72Å; E273-S276 PolarHBondContact O-N 3.36Å; E273-S276 PolarHBondContact O-OG 3.16Å; E273-L277 WeakPolarHBondContact O-CB 3.43Å; E273-L277 PolarHBondContact O-N 3.15Å |
| 274 | A | 96.1 | Very high | 94.7 | Very high | 6 Ų | 6 | 65.1 Ų | 65.1 | 5% | 0.05 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.5 | -42.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E270 L277 L278 I292 I373 F376 | E270-A274 WeakPolarHBondContact O-CB 3.31Å; E270-A274 PolarHBondContact O-N 3.14Å; A274-L277 PolarHBondContact O-N 2.96Å; A274-L278 WeakPolarHBondContact O-CB 3.09Å; A274-L278 VanDerWaalsContact O-CG 3.26Å; A274-L278 WeakPolarHBondContact O-CG 3.41Å; A274-L278 PolarHBondContact O-N 2.88Å; A274-I292 HydrophobicContact CB-CD1 4.36Å; A274-I292 HydrophobicContact CB-CG1 4.4Å; A274-I373 HydrophobicContact CB-CG2 4.19Å; A274-F376 HydrophobicContact CB-CB 4.03Å; A274-F376 HydrophobicContact CB-CD1 4.48Å; A274-F376 HydrophobicContact CB-CD2 4.26Å; A274-F376 HydrophobicContact CB-CG 3.99Å |
| 275 | Q | 95.4 | Very high | 94.5 | Very high | 36 Ų | 36 | 65 Ų | 65 | 17% | 0.168 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 175.8 | -172.8 | -176.8 | -57.2 | 0 | 0 | 111.5 | R271 L272 E273 L277 L278 R279 L285 V288 I292 | R271-Q275 VanDerWaalsContact O-CB 3.29Å; R271-Q275 WeakPolarHBondContact O-CB 3.44Å; R271-Q275 PolarHBondContact O-N 2.95Å; L272-Q275 PolarHBondContact O-N 3.34Å; E273-Q275 VanDerWaalsContact C-N 3.31Å; E273-Q275 PolarHBondContact O-N 2.72Å; Q275-L277 PolarHBondContact O-N 3.16Å; Q275-L278 PolarHBondContact O-N 2.86Å; Q275-R279 HydrophobicContact CG-CG 4.26Å; Q275-R279 VanDerWaalsContact O-CB 3.31Å; Q275-R279 WeakPolarHBondContact O-CB 3.4Å; Q275-R279 WeakPolarHBondContact O-CG 3.35Å; Q275-R279 PolarHBondContact O-N 3.37Å; Q275-L285 HydrophobicContact CG-CD1 4.25Å; Q275-V288 HydrophobicContact CB-CG1 4.28Å; Q275-V288 HydrophobicContact CG-CG1 3.75Å; Q275-I292 HydrophobicContact CB-CD1 3.71Å; Q275-I292 HydrophobicContact CG-CD1 4.37Å |
| 276 | S | 95.1 | Very high | 94.2 | Very high | 65 Ų | 65 | 63.6 Ų | 63.6 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.7 | -34.2 | 179.6 | 77.7 | 0 | 0 | 0 | 0 | 112.2 | L272 E273 | L272-S276 WeakPolarHBondContact O-CB 3.38Å; L272-S276 PolarHBondContact O-N 3.12Å; E273-S276 PolarHBondContact O-N 3.36Å; E273-S276 PolarHBondContact O-OG 3.16Å |
| 277 | L | 94.1 | Very high | 94 | Very high | 49 Ų | 49 | 64.8 Ų | 64.8 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -77.6 | -44.4 | -177.6 | -164.4 | 159.6 | 0 | 0 | 0 | 110.7 | E273 A274 Q275 R279 R280 Y281 L372 | E273-L277 WeakPolarHBondContact O-CB 3.43Å; E273-L277 PolarHBondContact O-N 3.15Å; A274-L277 PolarHBondContact O-N 2.96Å; Q275-L277 PolarHBondContact O-N 3.16Å; L277-R279 VanDerWaalsContact C-N 3.35Å; L277-R279 PolarHBondContact O-N 3.33Å; L277-R280 WeakPolarHBondContact O-CB 3.38Å; L277-R280 PolarHBondContact O-N 3.47Å; L277-Y281 WeakPolarHBondContact O-CD2 3.47Å; L277-L372 HydrophobicContact CD2-CB 4.45Å; L277-L372 HydrophobicContact CD2-CD1 3.35Å; L277-L372 HydrophobicContact CD2-CD2 3.55Å; L277-L372 HydrophobicContact CD2-CG 3.15Å |
| 278 | L | 93.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.4 | -36.2 | 173.9 | -71.5 | 169.3 | 0 | 0 | 0 | 112.7 | A274 Q275 R280 Y281 I282 V288 I291 I292 F364 L372 I373 | A274-L278 WeakPolarHBondContact O-CB 3.09Å; A274-L278 VanDerWaalsContact O-CG 3.26Å; A274-L278 WeakPolarHBondContact O-CG 3.41Å; A274-L278 PolarHBondContact O-N 2.88Å; Q275-L278 PolarHBondContact O-N 2.86Å; L278-R280 PolarHBondContact O-N 3.2Å; L278-R280 VanDerWaalsContact O-N 3.1Å; L278-Y281 PolarHBondContact O-N 3.29Å; L278-I282 PolarHBondContact O-N 2.88Å; L278-V288 HydrophobicContact CB-CB 4.48Å; L278-V288 HydrophobicContact CB-CG1 3.7Å; L278-V288 HydrophobicContact CB-CG2 4.06Å; L278-V288 HydrophobicContact CD1-CG1 3.88Å; L278-V288 HydrophobicContact CG-CG1 4.46Å; L278-I291 HydrophobicContact CD1-CB 4.46Å; L278-I291 HydrophobicContact CD1-CG2 4Å; L278-I292 HydrophobicContact CD1-CD1 4.09Å; L278-I292 HydrophobicContact CD1-CG1 3.72Å; L278-F364 HydrophobicContact CD2-CE2 3.61Å; L278-F364 HydrophobicContact CD2-CZ 4.04Å; L278-L372 HydrophobicContact CD2-CD2 4.31Å; L278-I373 HydrophobicContact CD1-CG2 3.96Å; L278-I373 HydrophobicContact CD2-CG2 3.84Å; L278-I373 HydrophobicContact CG-CG2 3.71Å |
| 279 | R | 93.4 | Very high | 93.8 | Very high | 108 Ų | 108 | 59.4 Ų | 59.4 | 41% | 0.408 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -13 | 178.5 | -75.5 | -76 | -76.3 | 155.1 | -9.5 | 114.2 | Q275 L277 Y281 I282 D283 V288 | Q275-R279 HydrophobicContact CG-CG 4.26Å; Q275-R279 VanDerWaalsContact O-CB 3.31Å; Q275-R279 WeakPolarHBondContact O-CB 3.4Å; Q275-R279 WeakPolarHBondContact O-CG 3.35Å; Q275-R279 PolarHBondContact O-N 3.37Å; L277-R279 VanDerWaalsContact C-N 3.35Å; L277-R279 PolarHBondContact O-N 3.33Å; R279-Y281 VanDerWaalsContact C-N 3.27Å; R279-I282 PolarHBondContact NH1-O 2.77Å; R279-D283 PolarHBondContact NH1-O 2.89Å; R279-V288 HydrophobicContact CG-CG1 4.48Å; R279-V288 HydrophobicContact CG-CG2 4.38Å |
| 280 | R | 92.6 | Very high | 93.7 | Very high | 191 Ų | 191 | 59.2 Ų | 59.2 | 72% | 0.721 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -18.1 | 171.7 | -60.2 | 179.3 | -172.2 | 179.4 | 1.5 | 113 | L277 L278 | L277-R280 WeakPolarHBondContact O-CB 3.38Å; L277-R280 PolarHBondContact O-N 3.47Å; L278-R280 PolarHBondContact O-N 3.2Å; L278-R280 VanDerWaalsContact O-N 3.1Å |
| 281 | Y | 90.6 | Very high | 93.6 | Very high | 120 Ų | 120 | 57.6 Ų | 57.6 | 47% | 0.471 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -21 | -175.2 | -56.7 | -84 | 0 | 0 | 0 | 113 | L277 L278 R279 V368 L372 | L277-Y281 WeakPolarHBondContact O-CD2 3.47Å; L278-Y281 PolarHBondContact O-N 3.29Å; R279-Y281 VanDerWaalsContact C-N 3.27Å; Y281-V368 HydrophobicContact CD1-CG1 4.34Å; Y281-V368 HydrophobicContact CD1-CG2 3.85Å; Y281-V368 HydrophobicContact CG-CG1 4.3Å; Y281-V368 HydrophobicContact CG-CG2 4.26Å; Y281-L372 HydrophobicContact CD2-CD2 3.53Å; Y281-L372 HydrophobicContact CE2-CD1 4.06Å; Y281-L372 HydrophobicContact CE2-CD2 3.61Å; Y281-L372 HydrophobicContact CE2-CG 4.48Å; Y281-L372 HydrophobicContact CG-CD2 4.42Å |
| 282 | I | 91.2 | Very high | 93.6 | Very high | 14 Ų | 14 | 56.6 Ų | 56.6 | 7% | 0.072 | 27% | 0.265 | C | S | . | . | trans | -125.7 | 116.5 | -178.2 | -56.9 | 176.7 | 0 | 0 | 0 | 110.4 | L278 R279 D284 M287 V288 I291 F364 P365 | L278-I282 PolarHBondContact O-N 2.88Å; R279-I282 PolarHBondContact NH1-O 2.77Å; I282-D284 HydrophobicContact CG2-CB 4.37Å; I282-M287 HydrophobicContact CG2-CB 4.16Å; I282-M287 HydrophobicContact CG2-CG 4.37Å; I282-V288 HydrophobicContact CB-CG2 3.7Å; I282-V288 HydrophobicContact CD1-CG2 4.44Å; I282-V288 HydrophobicContact CG2-CG2 3.75Å; I282-I291 HydrophobicContact CD1-CD1 3.45Å; I282-I291 VanDerWaalsContact CD1-CD1 3.45Å; I282-F364 HydrophobicContact CD1-CD2 3.58Å; I282-F364 HydrophobicContact CD1-CE2 3.54Å; I282-F364 HydrophobicContact CG1-CE2 4.42Å; I282-P365 HydrophobicContact CG1-CG 4.19Å | ||
| 283 | D | 89.8 | Confident | 93.6 | Very high | 150 Ų | 150 | 53.3 Ų | 53.3 | 80% | 0.802 | 25% | 0.248 | S | C | * | . | trans | -76.6 | -23.8 | 178.8 | -66.3 | -34.5 | 0 | 0 | 0 | 113.5 | R279 L285 | R279-D283 PolarHBondContact NH1-O 2.89Å; D283-L285 PolarHBondContact O-N 3.2Å | ||
| 284 | D | 92.1 | Very high | 93.6 | Very high | 77 Ų | 77 | 48.3 Ų | 48.3 | 41% | 0.412 | 23% | 0.225 | S | C | . | . | trans | -83.4 | 107.4 | 177.2 | -177.6 | 16 | 0 | 0 | 0 | 111.4 | I282 E286 M287 V288 | I282-D284 HydrophobicContact CG2-CB 4.37Å; D284-E286 VanDerWaalsContact C-N 3.27Å; D284-E286 PolarHBondContact O-N 3.46Å; D284-E286 WeakPolarHBondContact OD1-CB 3.39Å; D284-E286 PolarHBondContact OD1-N 3.5Å; D284-M287 HydrophobicContact CB-CB 4.01Å; D284-M287 PolarHBondContact O-N 2.69Å; D284-M287 PolarHBondContact OD2-N 3.43Å; D284-V288 WeakPolarHBondContact O-CG2 3.44Å; D284-V288 PolarHBondContact O-N 2.81Å; D284-V288 VanDerWaalsContact O-N 3.12Å | ||
| 285 | L | 91.6 | Very high | 93.6 | Very high | 43 Ų | 43 | 48 Ų | 48 | 23% | 0.225 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.4 | -35.2 | 177.5 | -178.7 | 64.4 | 0 | 0 | 0 | 112.3 | Q275 D283 M287 V288 Q289 | Q275-L285 HydrophobicContact CG-CD1 4.25Å; D283-L285 PolarHBondContact O-N 3.2Å; L285-M287 VanDerWaalsContact C-N 3.35Å; L285-V288 PolarHBondContact O-N 3.41Å; L285-Q289 HydrophobicContact CD1-CG 4.36Å; L285-Q289 HydrophobicContact CG-CG 4.43Å; L285-Q289 WeakPolarHBondContact O-CG 3.3Å; L285-Q289 PolarHBondContact O-N 3.42Å |
| 286 | E | 92.1 | Very high | 93.7 | Very high | 25 Ų | 25 | 46.3 Ų | 46.3 | 12% | 0.117 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.6 | -43.5 | 179 | 170.9 | 173.8 | 152.4 | 0 | 0 | 110.4 | D284 Q289 R290 Y425 R446 | D284-E286 VanDerWaalsContact C-N 3.27Å; D284-E286 PolarHBondContact O-N 3.46Å; D284-E286 WeakPolarHBondContact OD1-CB 3.39Å; D284-E286 PolarHBondContact OD1-N 3.5Å; E286-Q289 PolarHBondContact O-N 2.91Å; E286-R290 WeakPolarHBondContact O-CG 3.44Å; E286-R290 PolarHBondContact O-N 2.74Å; E286-R290 IonicContact OE1-CZ 2.63Å; E286-R290 IonicContact OE1-NE 3.38Å; E286-R290 IonicContact OE1-NH1 2.95Å; E286-R290 PolarHBondContact OE1-NH1 3.35Å; E286-R290 IonicContact OE1-NH2 2.75Å; E286-R290 PolarHBondContact OE1-NH2 2.9Å; E286-Y425 HydrophobicContact CB-CE1 4.05Å; E286-Y425 HydrophobicContact CG-CD1 3.66Å; E286-Y425 HydrophobicContact CG-CE1 3.45Å; E286-Y425 VanDerWaalsContact CG-CE1 3.45Å; E286-Y425 HydrophobicContact CG-CE2 4.38Å; E286-Y425 HydrophobicContact CG-CG 4.2Å; E286-R446 IonicContact OE2-CZ 2.88Å; E286-R446 IonicContact OE2-NH1 2.83Å; E286-R446 PolarHBondContact OE2-NH1 3.45Å; E286-R446 IonicContact OE2-NH2 3.93Å |
| 287 | M | 92.4 | Very high | 93.8 | Very high | 25 Ų | 25 | 44.4 Ų | 44.4 | 12% | 0.123 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63 | -43.9 | 174.7 | -171.5 | 58.4 | 65.1 | 0 | 0 | 112 | I282 D284 L285 Q289 R290 I291 I362 S363 | I282-M287 HydrophobicContact CG2-CB 4.16Å; I282-M287 HydrophobicContact CG2-CG 4.37Å; D284-M287 HydrophobicContact CB-CB 4.01Å; D284-M287 PolarHBondContact O-N 2.69Å; D284-M287 PolarHBondContact OD2-N 3.43Å; L285-M287 VanDerWaalsContact C-N 3.35Å; M287-Q289 VanDerWaalsContact C-N 3.34Å; M287-Q289 PolarHBondContact O-N 3.28Å; M287-R290 PolarHBondContact O-N 3.34Å; M287-I291 HydrophobicContact CG-CD1 4.06Å; M287-I291 VanDerWaalsContact O-CG1 3.3Å; M287-I291 WeakPolarHBondContact O-CG1 3.33Å; M287-I291 PolarHBondContact O-N 3.02Å; M287-I362 HydrophobicContact SD-CB 4.32Å; M287-I362 HydrophobicContact SD-CG2 4.31Å; M287-S363 VanDerWaalsContact CE-OG 3.25Å; M287-S363 WeakPolarHBondContact CE-OG 3.31Å; M287-S363 PolarHBondContact SD-N 3.41Å |
| 288 | V | 94.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.4 | -46.3 | 176.5 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | Q275 L278 R279 I282 D284 L285 R290 I291 I292 | Q275-V288 HydrophobicContact CB-CG1 4.28Å; Q275-V288 HydrophobicContact CG-CG1 3.75Å; L278-V288 HydrophobicContact CB-CB 4.48Å; L278-V288 HydrophobicContact CB-CG1 3.7Å; L278-V288 HydrophobicContact CB-CG2 4.06Å; L278-V288 HydrophobicContact CD1-CG1 3.88Å; L278-V288 HydrophobicContact CG-CG1 4.46Å; R279-V288 HydrophobicContact CG-CG1 4.48Å; R279-V288 HydrophobicContact CG-CG2 4.38Å; I282-V288 HydrophobicContact CB-CG2 3.7Å; I282-V288 HydrophobicContact CD1-CG2 4.44Å; I282-V288 HydrophobicContact CG2-CG2 3.75Å; D284-V288 WeakPolarHBondContact O-CG2 3.44Å; D284-V288 PolarHBondContact O-N 2.81Å; D284-V288 VanDerWaalsContact O-N 3.12Å; L285-V288 PolarHBondContact O-N 3.41Å; V288-R290 PolarHBondContact O-N 2.63Å; V288-I291 PolarHBondContact O-N 3.4Å; V288-I292 HydrophobicContact CG1-CD1 4.01Å; V288-I292 WeakPolarHBondContact O-CG1 3.46Å; V288-I292 PolarHBondContact O-N 2.97Å; V288-I292 VanDerWaalsContact O-N 3.12Å |
| 289 | Q | 94.4 | Very high | 94.1 | Very high | 15 Ų | 15 | 43.6 Ų | 43.6 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.3 | -39.9 | 178.6 | -72 | 173.5 | -31.1 | 0 | 0 | 111.7 | L285 E286 M287 I292 F293 Y425 V427 | L285-Q289 HydrophobicContact CD1-CG 4.36Å; L285-Q289 HydrophobicContact CG-CG 4.43Å; L285-Q289 WeakPolarHBondContact O-CG 3.3Å; L285-Q289 PolarHBondContact O-N 3.42Å; E286-Q289 PolarHBondContact O-N 2.91Å; M287-Q289 VanDerWaalsContact C-N 3.34Å; M287-Q289 PolarHBondContact O-N 3.28Å; Q289-I292 PolarHBondContact O-N 3.43Å; Q289-F293 WeakPolarHBondContact O-CB 3.49Å; Q289-F293 PolarHBondContact O-N 3.32Å; Q289-Y425 HydrophobicContact CB-CE2 4.03Å; Q289-Y425 PolarHBondContact OE1-OH 3.37Å; Q289-V427 HydrophobicContact CG-CG1 4.32Å |
| 290 | R | 93.8 | Very high | 94.3 | Very high | 66 Ų | 66 | 38.6 Ų | 38.6 | 25% | 0.249 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.7 | -42.4 | 173.7 | -76.3 | 177.5 | 173.2 | 146.4 | 1.9 | 112.7 | E286 M287 V288 F293 I294 I362 Y425 | E286-R290 WeakPolarHBondContact O-CG 3.44Å; E286-R290 PolarHBondContact O-N 2.74Å; E286-R290 IonicContact OE1-CZ 2.63Å; E286-R290 IonicContact OE1-NE 3.38Å; E286-R290 IonicContact OE1-NH1 2.95Å; E286-R290 PolarHBondContact OE1-NH1 3.35Å; E286-R290 IonicContact OE1-NH2 2.75Å; E286-R290 PolarHBondContact OE1-NH2 2.9Å; M287-R290 PolarHBondContact O-N 3.34Å; V288-R290 PolarHBondContact O-N 2.63Å; R290-F293 PolarHBondContact O-N 3.43Å; R290-I294 WeakPolarHBondContact O-CB 3.4Å; R290-I294 VanDerWaalsContact O-CG1 3.3Å; R290-I294 WeakPolarHBondContact O-CG1 3.34Å; R290-I294 PolarHBondContact O-N 3.39Å; R290-I362 HydrophobicContact CB-CG2 3.8Å; R290-Y425 HydrophobicContact CG-CD2 4.49Å; R290-Y425 HydrophobicContact CG-CG 4.48Å |
| 291 | I | 94.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.2 | -48.6 | 177.2 | -70.8 | 162.9 | 0 | 0 | 0 | 110.3 | L278 I282 M287 V288 I294 A295 M356 I362 F364 F370 I373 | L278-I291 HydrophobicContact CD1-CB 4.46Å; L278-I291 HydrophobicContact CD1-CG2 4Å; I282-I291 HydrophobicContact CD1-CD1 3.45Å; I282-I291 VanDerWaalsContact CD1-CD1 3.45Å; M287-I291 HydrophobicContact CG-CD1 4.06Å; M287-I291 VanDerWaalsContact O-CG1 3.3Å; M287-I291 WeakPolarHBondContact O-CG1 3.33Å; M287-I291 PolarHBondContact O-N 3.02Å; V288-I291 PolarHBondContact O-N 3.4Å; I291-I294 PolarHBondContact O-N 3.49Å; I291-A295 VanDerWaalsContact O-CB 3.31Å; I291-A295 WeakPolarHBondContact O-CB 3.43Å; I291-A295 PolarHBondContact O-N 3.06Å; I291-M356 HydrophobicContact CG2-CE 3.79Å; I291-I362 HydrophobicContact CB-CG2 4.47Å; I291-I362 HydrophobicContact CG1-CB 3.96Å; I291-I362 HydrophobicContact CG1-CG2 3.78Å; I291-F364 HydrophobicContact CD1-CD2 3.78Å; I291-F364 HydrophobicContact CD1-CE2 4.24Å; I291-F370 HydrophobicContact CD1-CE1 4.28Å; I291-F370 HydrophobicContact CG1-CE1 4.14Å; I291-F370 HydrophobicContact CG2-CD1 4.07Å; I291-F370 HydrophobicContact CG2-CE1 3.77Å; I291-I373 HydrophobicContact CG2-CD1 4.06Å |
| 292 | I | 96 | Very high | 94.8 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.4 | -42.7 | -179.3 | -62.8 | 165.2 | 0 | 0 | 0 | 111.3 | R271 A274 Q275 L278 V288 Q289 A295 T296 F376 W428 | R271-I292 HydrophobicContact CG-CG2 3.77Å; A274-I292 HydrophobicContact CB-CD1 4.36Å; A274-I292 HydrophobicContact CB-CG1 4.4Å; Q275-I292 HydrophobicContact CB-CD1 3.71Å; Q275-I292 HydrophobicContact CG-CD1 4.37Å; L278-I292 HydrophobicContact CD1-CD1 4.09Å; L278-I292 HydrophobicContact CD1-CG1 3.72Å; V288-I292 HydrophobicContact CG1-CD1 4.01Å; V288-I292 WeakPolarHBondContact O-CG1 3.46Å; V288-I292 PolarHBondContact O-N 2.97Å; V288-I292 VanDerWaalsContact O-N 3.12Å; Q289-I292 PolarHBondContact O-N 3.43Å; I292-A295 PolarHBondContact O-N 2.97Å; I292-T296 PolarHBondContact O-N 3.22Å; I292-T296 PolarHBondContact O-OG1 3.34Å; I292-F376 HydrophobicContact CG2-CE1 3.85Å; I292-F376 HydrophobicContact CG2-CE2 4.43Å; I292-F376 HydrophobicContact CG2-CZ 3.7Å; I292-W428 HydrophobicContact CG2-CZ3 4.48Å |
| 293 | F | 96.1 | Very high | 95.1 | Very high | 14 Ų | 14 | 28.4 Ų | 28.4 | 6% | 0.061 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.9 | -49.6 | 175.9 | 173.8 | -95 | 0 | 0 | 0 | 111.4 | Q289 R290 T296 V297 T399 H426 P429 | Q289-F293 WeakPolarHBondContact O-CB 3.49Å; Q289-F293 PolarHBondContact O-N 3.32Å; R290-F293 PolarHBondContact O-N 3.43Å; F293-T296 WeakPolarHBondContact O-CB 3.5Å; F293-T296 PolarHBondContact O-N 3.21Å; F293-V297 HydrophobicContact CD1-CG2 4.35Å; F293-V297 HydrophobicContact CE1-CG2 3.8Å; F293-V297 HydrophobicContact CE2-CG2 4.07Å; F293-V297 HydrophobicContact CZ-CG2 3.64Å; F293-V297 WeakPolarHBondContact O-CG2 3.47Å; F293-V297 PolarHBondContact O-N 2.89Å; F293-T399 HydrophobicContact CE2-CG2 4.42Å; F293-T399 HydrophobicContact CZ-CG2 3.87Å; F293-H426 WeakPolarHBondContact CB-O 3.45Å; F293-H426 HydrophobicContact CD1-CB 4.28Å; F293-H426 HydrophobicContact CD2-CB 3.48Å; F293-H426 VanDerWaalsContact CD2-CB 3.48Å; F293-H426 HydrophobicContact CE1-CB 4.13Å; F293-H426 HydrophobicContact CE2-CB 3.29Å; F293-H426 HydrophobicContact CG-CB 3.99Å; F293-H426 HydrophobicContact CZ-CB 3.65Å; F293-P429 HydrophobicContact CD2-CB 4.47Å; F293-P429 HydrophobicContact CE2-CB 3.82Å; F293-P429 HydrophobicContact CE2-CG 4.39Å |
| 294 | I | 95.4 | Very high | 95.4 | Very high | 10 Ų | 10 | 23.4 Ų | 23.4 | 5% | 0.051 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65 | -44 | 179.5 | -67.7 | -177.2 | 0 | 0 | 0 | 110.8 | R290 I291 T296 V297 E298 M356 N359 R361 I362 | R290-I294 WeakPolarHBondContact O-CB 3.4Å; R290-I294 VanDerWaalsContact O-CG1 3.3Å; R290-I294 WeakPolarHBondContact O-CG1 3.34Å; R290-I294 PolarHBondContact O-N 3.39Å; I291-I294 PolarHBondContact O-N 3.49Å; I294-T296 PolarHBondContact O-N 2.91Å; I294-V297 PolarHBondContact O-N 3.4Å; I294-V297 VanDerWaalsContact O-N 3.1Å; I294-E298 HydrophobicContact CG2-CG 3.81Å; I294-E298 WeakPolarHBondContact O-CB 3.4Å; I294-E298 WeakPolarHBondContact O-CG 3.35Å; I294-E298 PolarHBondContact O-N 2.87Å; I294-M356 HydrophobicContact CG2-CG 4.26Å; I294-N359 WeakPolarHBondContact CG2-ND2 3.26Å; I294-R361 HydrophobicContact CD1-CB 3.82Å; I294-I362 HydrophobicContact CB-CD1 4.34Å; I294-I362 HydrophobicContact CD1-CB 4.28Å; I294-I362 HydrophobicContact CD1-CD1 4.25Å; I294-I362 HydrophobicContact CD1-CG1 4.05Å; I294-I362 HydrophobicContact CD1-CG2 3.44Å; I294-I362 VanDerWaalsContact CD1-CG2 3.44Å; I294-I362 HydrophobicContact CG1-CG2 4.3Å; I294-I362 HydrophobicContact CG2-CD1 4.05Å |
| 295 | A | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -53.8 | -40.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I291 I292 A299 M356 I373 F376 I377 | I291-A295 VanDerWaalsContact O-CB 3.31Å; I291-A295 WeakPolarHBondContact O-CB 3.43Å; I291-A295 PolarHBondContact O-N 3.06Å; I292-A295 PolarHBondContact O-N 2.97Å; A295-A299 WeakPolarHBondContact O-CB 3.3Å; A295-A299 PolarHBondContact O-N 3.09Å; A295-M356 HydrophobicContact CB-CE 3.79Å; A295-M356 HydrophobicContact CB-SD 3.64Å; A295-I373 HydrophobicContact CB-CD1 4.11Å; A295-F376 HydrophobicContact CB-CD1 4.47Å; A295-F376 HydrophobicContact CB-CE1 4.11Å; A295-I377 HydrophobicContact CB-CG1 4.27Å |
| 296 | T | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.8 | -47 | 177.3 | -50.3 | 0 | 0 | 0 | 0 | 111.6 | I292 F293 I294 A299 F300 F376 T380 L396 W428 P429 | I292-T296 PolarHBondContact O-N 3.22Å; I292-T296 PolarHBondContact O-OG1 3.34Å; F293-T296 WeakPolarHBondContact O-CB 3.5Å; F293-T296 PolarHBondContact O-N 3.21Å; I294-T296 PolarHBondContact O-N 2.91Å; T296-A299 PolarHBondContact O-N 2.85Å; T296-F300 HydrophobicContact CG2-CD2 4.35Å; T296-F300 HydrophobicContact CG2-CE2 4.31Å; T296-F300 WeakPolarHBondContact O-CD2 3.23Å; T296-F300 PolarHBondContact O-N 3.06Å; T296-F300 VanDerWaalsContact O-N 3.11Å; T296-F376 WeakPolarHBondContact OG1-CZ 3.43Å; T296-T380 HydrophobicContact CG2-CG2 3.99Å; T296-L396 HydrophobicContact CG2-CD1 4.47Å; T296-W428 HydrophobicContact CG2-CH2 4.04Å; T296-W428 HydrophobicContact CG2-CZ2 4.39Å; T296-W428 HydrophobicContact CG2-CZ3 4.29Å; T296-P429 HydrophobicContact CG2-CG 3.73Å |
| 297 | V | 96.8 | Very high | 96.1 | Very high | 24 Ų | 24 | 23.2 Ų | 23.2 | 15% | 0.145 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.1 | -48.1 | 179.8 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | F293 I294 A299 F300 Q301 L396 | F293-V297 HydrophobicContact CD1-CG2 4.35Å; F293-V297 HydrophobicContact CE1-CG2 3.8Å; F293-V297 HydrophobicContact CE2-CG2 4.07Å; F293-V297 HydrophobicContact CZ-CG2 3.64Å; F293-V297 WeakPolarHBondContact O-CG2 3.47Å; F293-V297 PolarHBondContact O-N 2.89Å; I294-V297 PolarHBondContact O-N 3.4Å; I294-V297 VanDerWaalsContact O-N 3.1Å; V297-A299 VanDerWaalsContact C-N 3.32Å; V297-A299 PolarHBondContact O-N 3.36Å; V297-F300 PolarHBondContact O-N 3.29Å; V297-Q301 WeakPolarHBondContact O-CG 3.48Å; V297-Q301 PolarHBondContact O-N 3.02Å; V297-Q301 VanDerWaalsContact O-N 3.08Å; V297-L396 HydrophobicContact CB-CD1 4.42Å; V297-L396 HydrophobicContact CG2-CD1 4.02Å |
| 298 | E | 96.6 | Very high | 96.2 | Very high | 33 Ų | 33 | 28.9 Ų | 28.9 | 15% | 0.154 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.9 | -37.1 | 178.5 | -63.7 | -56.6 | 155.9 | 0 | 0 | 111.2 | I294 F300 Q301 A302 V352 A355 M356 | I294-E298 HydrophobicContact CG2-CG 3.81Å; I294-E298 WeakPolarHBondContact O-CB 3.4Å; I294-E298 WeakPolarHBondContact O-CG 3.35Å; I294-E298 PolarHBondContact O-N 2.87Å; E298-F300 PolarHBondContact O-N 3.44Å; E298-Q301 PolarHBondContact O-N 3.14Å; E298-A302 WeakPolarHBondContact O-CB 3.33Å; E298-A302 PolarHBondContact O-N 3.24Å; E298-V352 HydrophobicContact CB-CG1 3.96Å; E298-V352 HydrophobicContact CB-CG2 4.39Å; E298-A355 HydrophobicContact CG-CB 4.21Å; E298-M356 HydrophobicContact CG-CG 4.48Å |
| 299 | A | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.5 | -40.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A295 T296 V297 A303 V352 T380 | A295-A299 WeakPolarHBondContact O-CB 3.3Å; A295-A299 PolarHBondContact O-N 3.09Å; T296-A299 PolarHBondContact O-N 2.85Å; V297-A299 VanDerWaalsContact C-N 3.32Å; V297-A299 PolarHBondContact O-N 3.36Å; A299-A303 WeakPolarHBondContact O-CB 3.05Å; A299-A303 PolarHBondContact O-N 3.05Å; A299-V352 HydrophobicContact CB-CG2 4.15Å; A299-T380 HydrophobicContact CB-CG2 3.67Å |
| 300 | F | 97.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.009 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.2 | -39.9 | 174.4 | -91.2 | -108 | 0 | 0 | 0 | 112.3 | F263 T296 V297 E298 K304 T380 A384 M387 L396 L431 | F263-F300 HydrophobicContact CD2-CE2 4.3Å; F263-F300 AromaticContact CD2-CZ 3.91Å; F263-F300 HydrophobicContact CD2-CZ 3.91Å; F263-F300 AromaticContact CE2-CE2 3.93Å; F263-F300 HydrophobicContact CE2-CE2 3.93Å; F263-F300 AromaticContact CE2-CZ 3.74Å; F263-F300 HydrophobicContact CE2-CZ 3.74Å; T296-F300 HydrophobicContact CG2-CD2 4.35Å; T296-F300 HydrophobicContact CG2-CE2 4.31Å; T296-F300 WeakPolarHBondContact O-CD2 3.23Å; T296-F300 PolarHBondContact O-N 3.06Å; T296-F300 VanDerWaalsContact O-N 3.11Å; V297-F300 PolarHBondContact O-N 3.29Å; E298-F300 PolarHBondContact O-N 3.44Å; F300-K304 VanDerWaalsContact O-CB 3.28Å; F300-K304 WeakPolarHBondContact O-CB 3.41Å; F300-K304 PolarHBondContact O-N 3.39Å; F300-T380 HydrophobicContact CD2-CG2 4.22Å; F300-T380 HydrophobicContact CE2-CG2 4.11Å; F300-A384 HydrophobicContact CB-CB 4.39Å; F300-A384 HydrophobicContact CD1-CB 3.92Å; F300-A384 HydrophobicContact CD2-CB 3.66Å; F300-A384 HydrophobicContact CE1-CB 4.08Å; F300-A384 HydrophobicContact CE2-CB 3.83Å; F300-A384 HydrophobicContact CG-CB 3.72Å; F300-A384 HydrophobicContact CZ-CB 4.04Å; F300-M387 HydrophobicContact CE1-SD 3.6Å; F300-M387 HydrophobicContact CZ-SD 3.6Å; F300-M387 VanDerWaalsContact CZ-SD 3.6Å; F300-L396 HydrophobicContact CB-CD1 3.74Å; F300-L396 HydrophobicContact CB-CG 4.03Å; F300-L396 HydrophobicContact CD1-CD1 4.19Å; F300-L396 HydrophobicContact CD1-CD2 3.96Å; F300-L396 HydrophobicContact CD1-CG 3.63Å; F300-L396 HydrophobicContact CD2-CD1 3.73Å; F300-L396 HydrophobicContact CD2-CD2 4.14Å; F300-L396 HydrophobicContact CD2-CG 3.99Å; F300-L396 HydrophobicContact CE1-CD2 3.79Å; F300-L396 HydrophobicContact CE1-CG 4.01Å; F300-L396 HydrophobicContact CE2-CD1 4.36Å; F300-L396 HydrophobicContact CE2-CD2 3.98Å; F300-L396 HydrophobicContact CE2-CG 4.34Å; F300-L396 HydrophobicContact CG-CD1 3.62Å; F300-L396 HydrophobicContact CG-CD2 4.12Å; F300-L396 HydrophobicContact CG-CG 3.61Å; F300-L396 HydrophobicContact CZ-CD2 3.79Å; F300-L396 HydrophobicContact CZ-CG 4.35Å; F300-L431 HydrophobicContact CE1-CD1 4.15Å; F300-L431 HydrophobicContact CZ-CD1 4.29Å |
| 301 | Q | 96.6 | Very high | 96.4 | Very high | 102 Ų | 102 | 34.2 Ų | 34.2 | 48% | 0.477 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.5 | -48.2 | 176.1 | -68.2 | -179.3 | 30.6 | 0 | 0 | 111.7 | V297 E298 K304 L305 | V297-Q301 WeakPolarHBondContact O-CG 3.48Å; V297-Q301 PolarHBondContact O-N 3.02Å; V297-Q301 VanDerWaalsContact O-N 3.08Å; E298-Q301 PolarHBondContact O-N 3.14Å; Q301-K304 PolarHBondContact O-N 3.34Å; Q301-L305 WeakPolarHBondContact O-CG 3.48Å; Q301-L305 PolarHBondContact O-N 3.1Å |
| 302 | A | 97.4 | Very high | 96.4 | Very high | 10 Ų | 10 | 39.2 Ų | 39.2 | 8% | 0.083 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E298 K304 L305 A306 D351 V352 | E298-A302 WeakPolarHBondContact O-CB 3.33Å; E298-A302 PolarHBondContact O-N 3.24Å; A302-K304 VanDerWaalsContact C-N 3.35Å; A302-K304 PolarHBondContact O-N 2.88Å; A302-L305 PolarHBondContact O-N 3.37Å; A302-A306 WeakPolarHBondContact O-CB 3.46Å; A302-A306 PolarHBondContact O-N 3.3Å; A302-D351 HydrophobicContact CB-CB 4.42Å; A302-V352 HydrophobicContact CB-CG2 3.75Å |
| 303 | A | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.8 | -39.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A299 A306 Y307 A384 F385 | A299-A303 WeakPolarHBondContact O-CB 3.05Å; A299-A303 PolarHBondContact O-N 3.05Å; A303-A306 PolarHBondContact O-N 3.06Å; A303-Y307 WeakPolarHBondContact O-CB 3.44Å; A303-Y307 PolarHBondContact O-N 2.99Å; A303-A384 HydrophobicContact CB-CB 3.62Å; A303-F385 HydrophobicContact CB-CB 4.1Å |
| 304 | K | 95.9 | Very high | 96.3 | Very high | 44 Ų | 44 | 46 Ų | 46 | 19% | 0.191 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.5 | -42.6 | 175.2 | 177.9 | 177 | -79.4 | -178.6 | 0 | 112.4 | F300 Q301 A302 R308 Q388 D395 | F300-K304 VanDerWaalsContact O-CB 3.28Å; F300-K304 WeakPolarHBondContact O-CB 3.41Å; F300-K304 PolarHBondContact O-N 3.39Å; Q301-K304 PolarHBondContact O-N 3.34Å; A302-K304 VanDerWaalsContact C-N 3.35Å; A302-K304 PolarHBondContact O-N 2.88Å; K304-R308 VanDerWaalsContact O-CG 3.31Å; K304-R308 WeakPolarHBondContact O-CG 3.29Å; K304-R308 PolarHBondContact O-N 3.25Å; K304-R308 VanDerWaalsContact O-N 3.12Å; K304-Q388 HydrophobicContact CB-CG 4.36Å; K304-Q388 VanDerWaalsContact CE-OE1 3.23Å; K304-D395 IonicContact NZ-OD1 2.93Å; K304-D395 PolarHBondContact NZ-OD1 2.96Å; K304-D395 IonicContact NZ-OD2 2.63Å; K304-D395 PolarHBondContact NZ-OD2 3.2Å |
| 305 | L | 96.6 | Very high | 96.2 | Very high | 96 Ų | 96 | 49.2 Ų | 49.2 | 50% | 0.503 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.3 | -44.1 | 175 | -68.4 | 174.9 | 0 | 0 | 0 | 111.3 | Q301 A302 Y307 R308 Q309 | Q301-L305 WeakPolarHBondContact O-CG 3.48Å; Q301-L305 PolarHBondContact O-N 3.1Å; A302-L305 PolarHBondContact O-N 3.37Å; L305-Y307 PolarHBondContact O-N 2.94Å; L305-R308 PolarHBondContact O-N 3.42Å; L305-Q309 WeakPolarHBondContact O-CG 3.36Å; L305-Q309 PolarHBondContact O-N 3.37Å |
| 306 | A | 96.6 | Very high | 96.1 | Very high | 18 Ų | 18 | 56.9 Ų | 56.9 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | A302 A303 Q309 F310 Y343 F385 | A302-A306 WeakPolarHBondContact O-CB 3.46Å; A302-A306 PolarHBondContact O-N 3.3Å; A303-A306 PolarHBondContact O-N 3.06Å; A306-Q309 PolarHBondContact O-N 2.93Å; A306-F310 WeakPolarHBondContact O-CB 3.38Å; A306-F310 PolarHBondContact O-N 2.9Å; A306-Y343 HydrophobicContact CB-CE2 3.82Å; A306-F385 HydrophobicContact CB-CD2 4.33Å; A306-F385 HydrophobicContact CB-CE2 4.34Å |
| 307 | Y | 96.5 | Very high | 95.8 | Very high | 28 Ų | 28 | 61.9 Ų | 61.9 | 11% | 0.11 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 176 | 173.2 | -106 | 0 | 0 | 0 | 111.8 | A303 L305 Q309 F310 K311 I336 F385 Q388 T389 | A303-Y307 WeakPolarHBondContact O-CB 3.44Å; A303-Y307 PolarHBondContact O-N 2.99Å; L305-Y307 PolarHBondContact O-N 2.94Å; Y307-Q309 VanDerWaalsContact C-N 3.33Å; Y307-Q309 PolarHBondContact O-N 3.42Å; Y307-F310 PolarHBondContact O-N 2.87Å; Y307-K311 HydrophobicContact CE1-CD 4.23Å; Y307-K311 VanDerWaalsContact O-CB 3.3Å; Y307-K311 WeakPolarHBondContact O-CB 3.47Å; Y307-K311 PolarHBondContact O-N 3.01Å; Y307-I336 HydrophobicContact CD2-CG2 4.46Å; Y307-I336 HydrophobicContact CE2-CD1 3.99Å; Y307-I336 HydrophobicContact CE2-CG2 4.05Å; Y307-F385 HydrophobicContact CD2-CE2 4.46Å; Y307-F385 HydrophobicContact CD2-CZ 4.3Å; Y307-Q388 HydrophobicContact CD1-CB 3.68Å; Y307-Q388 HydrophobicContact CD2-CB 4.27Å; Y307-Q388 HydrophobicContact CE1-CB 4.29Å; Y307-Q388 WeakPolarHBondContact CE1-O 3.45Å; Y307-Q388 HydrophobicContact CG-CB 3.65Å; Y307-T389 HydrophobicContact CD2-CG2 3.76Å; Y307-T389 HydrophobicContact CE2-CG2 3.62Å |
| 308 | R | 95.8 | Very high | 95.5 | Very high | 143 Ų | 143 | 62.8 Ų | 62.8 | 54% | 0.54 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.7 | -45.5 | 176.9 | -72 | 170.3 | 178.7 | -179.4 | -1.8 | 111.5 | K304 L305 L312 | K304-R308 VanDerWaalsContact O-CG 3.31Å; K304-R308 WeakPolarHBondContact O-CG 3.29Å; K304-R308 PolarHBondContact O-N 3.25Å; K304-R308 VanDerWaalsContact O-N 3.12Å; L305-R308 PolarHBondContact O-N 3.42Å; R308-L312 VanDerWaalsContact O-CG 3.29Å; R308-L312 WeakPolarHBondContact O-CG 3.3Å; R308-L312 PolarHBondContact O-N 3.5Å |
| 309 | Q | 95.6 | Very high | 95.2 | Very high | 127 Ų | 127 | 64.2 Ų | 64.2 | 59% | 0.593 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.2 | -43.1 | 177.2 | -68.9 | 176.4 | 3 | 0 | 0 | 111.9 | L305 A306 Y307 L312 R313 | L305-Q309 WeakPolarHBondContact O-CG 3.36Å; L305-Q309 PolarHBondContact O-N 3.37Å; A306-Q309 PolarHBondContact O-N 2.93Å; Y307-Q309 VanDerWaalsContact C-N 3.33Å; Y307-Q309 PolarHBondContact O-N 3.42Å; Q309-L312 PolarHBondContact O-N 3.23Å; Q309-R313 WeakPolarHBondContact O-CG 3.48Å; Q309-R313 PolarHBondContact O-N 3.32Å |
| 310 | F | 95.7 | Very high | 94.6 | Very high | 10 Ų | 10 | 69.3 Ų | 69.3 | 4% | 0.044 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.3 | -46.6 | 177.8 | -172.3 | -126 | 0 | 0 | 0 | 111.5 | A306 Y307 L312 R313 V314 I336 L342 F385 | A306-F310 WeakPolarHBondContact O-CB 3.38Å; A306-F310 PolarHBondContact O-N 2.9Å; Y307-F310 PolarHBondContact O-N 2.87Å; F310-L312 VanDerWaalsContact C-N 3.32Å; F310-L312 PolarHBondContact O-N 2.98Å; F310-R313 PolarHBondContact O-N 2.86Å; F310-R313 VanDerWaalsContact O-N 3.11Å; F310-V314 HydrophobicContact CD1-CG2 4.39Å; F310-V314 HydrophobicContact CD2-CG2 4.16Å; F310-V314 HydrophobicContact CE1-CG2 4.17Å; F310-V314 HydrophobicContact CE2-CG2 3.93Å; F310-V314 HydrophobicContact CG-CG2 4.41Å; F310-V314 HydrophobicContact CZ-CG2 3.94Å; F310-V314 WeakPolarHBondContact O-CG2 3.43Å; F310-V314 PolarHBondContact O-N 3.2Å; F310-I336 HydrophobicContact CD1-CB 4.42Å; F310-I336 HydrophobicContact CD1-CD1 4.31Å; F310-I336 HydrophobicContact CD1-CG1 3.81Å; F310-I336 HydrophobicContact CD1-CG2 3.93Å; F310-I336 HydrophobicContact CE1-CB 4.11Å; F310-I336 HydrophobicContact CE1-CG1 3.7Å; F310-I336 HydrophobicContact CE1-CG2 3.84Å; F310-L342 HydrophobicContact CE2-CB 4.37Å; F310-L342 HydrophobicContact CZ-CB 4.05Å; F310-L342 HydrophobicContact CZ-CD1 4.49Å; F310-F385 HydrophobicContact CB-CZ 4.43Å; F310-F385 AromaticContact CD1-CZ 3.85Å; F310-F385 HydrophobicContact CD1-CZ 3.85Å; F310-F385 HydrophobicContact CG-CZ 4.4Å |
| 311 | K | 95.1 | Very high | 94 | Very high | 56 Ų | 56 | 73.7 Ų | 73.7 | 24% | 0.243 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.3 | -44.3 | 176 | -171.7 | 176.7 | -178.9 | 179.1 | 0 | 111.8 | Y307 V314 K315 E329 V332 I336 | Y307-K311 HydrophobicContact CE1-CD 4.23Å; Y307-K311 VanDerWaalsContact O-CB 3.3Å; Y307-K311 WeakPolarHBondContact O-CB 3.47Å; Y307-K311 PolarHBondContact O-N 3.01Å; K311-V314 PolarHBondContact O-N 3.49Å; K311-K315 VanDerWaalsContact O-CB 3.27Å; K311-K315 WeakPolarHBondContact O-CB 3.25Å; K311-K315 PolarHBondContact O-N 2.97Å; K311-E329 WeakPolarHBondContact CE-OE2 3.02Å; K311-E329 IonicContact NZ-OE2 2.74Å; K311-E329 PolarHBondContact NZ-OE2 3.4Å; K311-V332 HydrophobicContact CG-CG1 3.78Å; K311-I336 HydrophobicContact CB-CD1 3.94Å; K311-I336 HydrophobicContact CG-CD1 4.03Å |
| 312 | L | 94.9 | Very high | 93.4 | Very high | 105 Ų | 105 | 71.5 Ų | 71.5 | 55% | 0.55 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 175.7 | -73.2 | 172 | 0 | 0 | 0 | 112.7 | R308 Q309 F310 K316 | R308-L312 VanDerWaalsContact O-CG 3.29Å; R308-L312 WeakPolarHBondContact O-CG 3.3Å; R308-L312 PolarHBondContact O-N 3.5Å; Q309-L312 PolarHBondContact O-N 3.23Å; F310-L312 VanDerWaalsContact C-N 3.32Å; F310-L312 PolarHBondContact O-N 2.98Å; L312-K316 WeakPolarHBondContact O-CG 3.46Å; L312-K316 PolarHBondContact O-N 2.91Å; L312-K316 VanDerWaalsContact O-N 3.14Å |
| 313 | R | 94.5 | Very high | 92.3 | Very high | 148 Ų | 148 | 79.4 Ų | 79.4 | 56% | 0.558 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.2 | -51.2 | 175.9 | -74.3 | -169.6 | -66.7 | 129.1 | -11.7 | 111.2 | Q309 F310 K315 K316 T317 | Q309-R313 WeakPolarHBondContact O-CG 3.48Å; Q309-R313 PolarHBondContact O-N 3.32Å; F310-R313 PolarHBondContact O-N 2.86Å; F310-R313 VanDerWaalsContact O-N 3.11Å; R313-K315 VanDerWaalsContact C-N 3.33Å; R313-K315 PolarHBondContact O-N 2.9Å; R313-K316 PolarHBondContact O-N 3Å; R313-T317 PolarHBondContact O-N 2.89Å; R313-T317 PolarHBondContact O-OG1 2.62Å; R313-T317 VanDerWaalsContact O-OG1 3.13Å |
| 314 | V | 94.6 | Very high | 91.1 | Very high | 9 Ų | 9 | 81.2 Ų | 81.2 | 6% | 0.055 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 179.1 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | F310 K311 K316 T317 L318 V332 Y335 I336 | F310-V314 HydrophobicContact CD1-CG2 4.39Å; F310-V314 HydrophobicContact CD2-CG2 4.16Å; F310-V314 HydrophobicContact CE1-CG2 4.17Å; F310-V314 HydrophobicContact CE2-CG2 3.93Å; F310-V314 HydrophobicContact CG-CG2 4.41Å; F310-V314 HydrophobicContact CZ-CG2 3.94Å; F310-V314 WeakPolarHBondContact O-CG2 3.43Å; F310-V314 PolarHBondContact O-N 3.2Å; K311-V314 PolarHBondContact O-N 3.49Å; V314-K316 VanDerWaalsContact C-N 3.35Å; V314-K316 PolarHBondContact O-N 3.48Å; V314-T317 PolarHBondContact O-N 2.92Å; V314-T317 VanDerWaalsContact O-N 3.15Å; V314-L318 HydrophobicContact CG1-CD1 3.52Å; V314-L318 HydrophobicContact CG1-CG 4.07Å; V314-L318 WeakPolarHBondContact O-CB 3.45Å; V314-L318 WeakPolarHBondContact O-CG 3.4Å; V314-L318 PolarHBondContact O-N 3.4Å; V314-V332 HydrophobicContact CB-CG1 4.21Å; V314-V332 HydrophobicContact CG1-CB 4.32Å; V314-V332 HydrophobicContact CG1-CG1 3.89Å; V314-V332 HydrophobicContact CG1-CG2 4.24Å; V314-Y335 HydrophobicContact CB-CD1 4.31Å; V314-Y335 HydrophobicContact CG1-CD1 3.44Å; V314-Y335 VanDerWaalsContact CG1-CD1 3.44Å; V314-Y335 HydrophobicContact CG1-CE1 4.12Å; V314-Y335 HydrophobicContact CG1-CG 3.98Å; V314-Y335 HydrophobicContact CG2-CD1 3.81Å; V314-Y335 HydrophobicContact CG2-CE1 3.88Å; V314-I336 HydrophobicContact CB-CG1 4.46Å; V314-I336 HydrophobicContact CG1-CG1 4.43Å; V314-I336 HydrophobicContact CG2-CG1 4.12Å |
| 315 | K | 94.3 | Very high | 90.2 | Very high | 78 Ų | 78 | 85.3 Ų | 85.3 | 34% | 0.339 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -57.8 | -44 | 176.5 | -176.3 | 173.2 | 179.2 | 169.3 | 0 | 112.8 | K311 R313 T317 S319 L328 E329 V332 | K311-K315 VanDerWaalsContact O-CB 3.27Å; K311-K315 WeakPolarHBondContact O-CB 3.25Å; K311-K315 PolarHBondContact O-N 2.97Å; R313-K315 VanDerWaalsContact C-N 3.33Å; R313-K315 PolarHBondContact O-N 2.9Å; K315-T317 VanDerWaalsContact C-N 3.34Å; K315-S319 WeakPolarHBondContact O-CB 3.44Å; K315-S319 PolarHBondContact O-N 3.48Å; K315-L328 HydrophobicContact CG-CD2 4.24Å; K315-E329 WeakPolarHBondContact CE-OE1 3.34Å; K315-E329 IonicContact NZ-OE1 2.81Å; K315-E329 PolarHBondContact NZ-OE1 3.26Å; K315-V332 HydrophobicContact CB-CG2 3.91Å; K315-V332 HydrophobicContact CG-CG2 4.33Å |
| 316 | K | 93.8 | Very high | 89.3 | Confident | 162 Ų | 162 | 84.2 Ų | 84.2 | 70% | 0.704 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.6 | -36 | 176.8 | -73.5 | 177.6 | 179.3 | -176.4 | 0 | 112.6 | L312 R313 V314 S319 P320 | L312-K316 WeakPolarHBondContact O-CG 3.46Å; L312-K316 PolarHBondContact O-N 2.91Å; L312-K316 VanDerWaalsContact O-N 3.14Å; R313-K316 PolarHBondContact O-N 3Å; V314-K316 VanDerWaalsContact C-N 3.35Å; V314-K316 PolarHBondContact O-N 3.48Å; K316-S319 PolarHBondContact O-OG 3.35Å; K316-P320 WeakPolarHBondContact O-CD 3.42Å |
| 317 | T | 91.4 | Very high | 88.9 | Confident | 104 Ų | 104 | 86.5 Ų | 86.5 | 64% | 0.638 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -74.6 | -37.4 | 179.2 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | R313 V314 K315 P320 | R313-T317 PolarHBondContact O-N 2.89Å; R313-T317 PolarHBondContact O-OG1 2.62Å; R313-T317 VanDerWaalsContact O-OG1 3.13Å; V314-T317 PolarHBondContact O-N 2.92Å; V314-T317 VanDerWaalsContact O-N 3.15Å; K315-T317 VanDerWaalsContact C-N 3.34Å; T317-P320 WeakPolarHBondContact O-CD 3.39Å |
| 318 | L | 90.4 | Very high | 88.4 | Confident | 43 Ų | 43 | 87.3 Ų | 87.3 | 23% | 0.225 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -84.3 | -25.1 | -178.1 | -67.4 | 179.1 | 0 | 0 | 0 | 113.5 | V314 P320 S321 H322 L328 V332 Y335 | V314-L318 HydrophobicContact CG1-CD1 3.52Å; V314-L318 HydrophobicContact CG1-CG 4.07Å; V314-L318 WeakPolarHBondContact O-CB 3.45Å; V314-L318 WeakPolarHBondContact O-CG 3.4Å; V314-L318 PolarHBondContact O-N 3.4Å; L318-P320 VanDerWaalsContact C-CD 3.41Å; L318-S321 PolarHBondContact O-N 3.04Å; L318-S321 VanDerWaalsContact O-N 3.12Å; L318-H322 WeakPolarHBondContact O-CB 3.32Å; L318-H322 PolarHBondContact O-N 3.49Å; L318-H322 VanDerWaalsContact O-N 3.12Å; L318-L328 HydrophobicContact CB-CD1 4.3Å; L318-V332 HydrophobicContact CD1-CG2 4.01Å; L318-Y335 HydrophobicContact CD1-CG 4.21Å |
| 319 | S | 90.5 | Very high | 88.1 | Confident | 64 Ų | 64 | 83.6 Ų | 83.6 | 45% | 0.448 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -39.1 | -176.8 | 66.1 | 0 | 0 | 0 | 0 | 115.2 | K315 K316 S321 | K315-S319 WeakPolarHBondContact O-CB 3.44Å; K315-S319 PolarHBondContact O-N 3.48Å; K316-S319 PolarHBondContact O-OG 3.35Å; S319-S321 VanDerWaalsContact C-N 3.34Å |
| 320 | P | 86.3 | Confident | 87.7 | Confident | 106 Ų | 106 | 80.1 Ų | 80.1 | 69% | 0.688 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -22.5 | -179.7 | -14.5 | 32.2 | 0 | 0 | 0 | 113.6 | K316 T317 L318 | K316-P320 WeakPolarHBondContact O-CD 3.42Å; T317-P320 WeakPolarHBondContact O-CD 3.39Å; L318-P320 VanDerWaalsContact C-CD 3.41Å |
| 321 | S | 83.6 | Confident | 87.4 | Confident | 94 Ų | 94 | 81.1 Ų | 81.1 | 66% | 0.657 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -0.6 | -173.9 | -55.6 | 0 | 0 | 0 | 0 | 113.3 | L318 S319 L323 | L318-S321 PolarHBondContact O-N 3.04Å; L318-S321 VanDerWaalsContact O-N 3.12Å; S319-S321 VanDerWaalsContact C-N 3.34Å; S321-L323 PolarHBondContact O-N 3.34Å |
| 322 | H | 84.3 | Confident | 87.2 | Confident | 56 Ų | 56 | 78.4 Ų | 78.4 | 26% | 0.259 | 43% | 0.432 | S | S | . | . | trans | -78.5 | 104.4 | -175.8 | -175.4 | -83.1 | 0 | 0 | 0 | 111.7 | L318 E326 L328 S331 | L318-H322 WeakPolarHBondContact O-CB 3.32Å; L318-H322 PolarHBondContact O-N 3.49Å; L318-H322 VanDerWaalsContact O-N 3.12Å; H322-E326 PolarHBondContact CE1-O 3.18Å; H322-E326 PolarHBondContact NE2-O 3.44Å; H322-E326 VanDerWaalsContact NE2-O 3.13Å; H322-L328 HydrophobicContact CB-CD1 3.88Å; H322-S331 PolarHBondContact CD2-OG 3.34Å; H322-S331 PolarHBondContact NE2-OG 2.82Å | ||
| 323 | L | 75.4 | Confident | 87 | Confident | 176 Ų | 176 | 74.5 Ų | 74.5 | 92% | 0.921 | 41% | 0.412 | S | S | * | . | trans | -121.4 | 12.5 | 174.6 | -67.1 | 168.3 | 0 | 0 | 0 | 112.3 | S321 | S321-L323 PolarHBondContact O-N 3.34Š| ||
| 324 | G | 71.7 | Confident | 86.8 | Confident | 39 Ų | 39 | 68.5 Ų | 68.5 | 40% | 0.402 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -79.2 | 160.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E326 | G324-E326 VanDerWaalsContact C-N 3.25Š|
| 325 | P | 76.5 | Confident | 86.7 | Confident | 129 Ų | 129 | 72.4 Ų | 72.4 | 84% | 0.838 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -71.8 | -18.8 | 172.2 | 30.8 | -34.9 | 0 | 0 | 0 | 113.1 | ||
| 326 | E | 78.4 | Confident | 86.6 | Confident | 74 Ų | 74 | 68.7 Ų | 68.7 | 35% | 0.346 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -77.2 | 162.2 | 177 | -60.8 | -169.4 | -162.6 | 0 | 0 | 111.4 | T246 H322 G324 | T246-E326 WeakPolarHBondContact CG2-OE2 3.4Å; T246-E326 PolarHBondContact OG1-OE2 3.38Å; H322-E326 PolarHBondContact CE1-O 3.18Å; H322-E326 PolarHBondContact NE2-O 3.44Å; H322-E326 VanDerWaalsContact NE2-O 3.13Å; G324-E326 VanDerWaalsContact C-N 3.25Å |
| 327 | T | 86.8 | Confident | 86.5 | Confident | 65 Ų | 65 | 62 Ų | 62 | 40% | 0.399 | 36% | 0.363 | S | S | . | . | trans | -71.5 | 152.8 | 175 | 78.4 | 0 | 0 | 0 | 0 | 110.7 | E329 D330 S331 | T327-E329 PolarHBondContact O-N 2.91Å; T327-D330 WeakPolarHBondContact CB-OD2 3.49Å; T327-D330 PolarHBondContact O-N 3.19Å; T327-D330 PolarHBondContact OG1-N 2.88Å; T327-D330 VanDerWaalsContact OG1-N 3.16Å; T327-D330 PolarHBondContact OG1-OD2 3.46Å; T327-S331 PolarHBondContact O-N 3.32Å; T327-S331 PolarHBondContact O-OG 3.5Å | ||
| 328 | L | 87.9 | Confident | 86.5 | Confident | 46 Ų | 46 | 64.7 Ų | 64.7 | 24% | 0.241 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.5 | -34.6 | 175.4 | 177.6 | 64.6 | 0 | 0 | 0 | 111.5 | K315 L318 H322 V332 | K315-L328 HydrophobicContact CG-CD2 4.24Å; L318-L328 HydrophobicContact CB-CD1 4.3Å; H322-L328 HydrophobicContact CB-CD1 3.88Å; L328-V332 HydrophobicContact CD1-CG2 4.39Å; L328-V332 WeakPolarHBondContact O-CB 3.34Å; L328-V332 WeakPolarHBondContact O-CG2 3.35Å; L328-V332 PolarHBondContact O-N 2.93Å |
| 329 | E | 88 | Confident | 86.6 | Confident | 65 Ų | 65 | 64.7 Ų | 64.7 | 30% | 0.304 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.4 | -42.4 | 177.7 | -70.9 | -65.8 | 148.7 | 0 | 0 | 111.6 | K311 K315 T327 V332 V333 | K311-E329 WeakPolarHBondContact CE-OE2 3.02Å; K311-E329 IonicContact NZ-OE2 2.74Å; K311-E329 PolarHBondContact NZ-OE2 3.4Å; K315-E329 WeakPolarHBondContact CE-OE1 3.34Å; K315-E329 IonicContact NZ-OE1 2.81Å; K315-E329 PolarHBondContact NZ-OE1 3.26Å; T327-E329 PolarHBondContact O-N 2.91Å; E329-V332 PolarHBondContact O-N 3.41Å; E329-V333 WeakPolarHBondContact O-CG2 3.28Å; E329-V333 PolarHBondContact O-N 3.43Å |
| 330 | D | 87.4 | Confident | 86.5 | Confident | 53 Ų | 53 | 64.4 Ų | 64.4 | 28% | 0.283 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.4 | -42 | 177.5 | -61.2 | -38.1 | 0 | 0 | 0 | 111.2 | T327 V332 V333 D334 | T327-D330 WeakPolarHBondContact CB-OD2 3.49Å; T327-D330 PolarHBondContact O-N 3.19Å; T327-D330 PolarHBondContact OG1-N 2.88Å; T327-D330 VanDerWaalsContact OG1-N 3.16Å; T327-D330 PolarHBondContact OG1-OD2 3.46Å; D330-V332 VanDerWaalsContact C-N 3.32Å; D330-V332 PolarHBondContact O-N 3.46Å; D330-V333 PolarHBondContact O-N 3.08Å; D330-D334 WeakPolarHBondContact O-CB 3.38Å; D330-D334 PolarHBondContact O-N 2.93Å |
| 331 | S | 88.9 | Confident | 86.8 | Confident | 31 Ų | 31 | 65.5 Ų | 65.5 | 22% | 0.217 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 174.9 | -66.7 | 0 | 0 | 0 | 0 | 112.4 | H322 T327 Y335 | H322-S331 PolarHBondContact CD2-OG 3.34Å; H322-S331 PolarHBondContact NE2-OG 2.82Å; T327-S331 PolarHBondContact O-N 3.32Å; T327-S331 PolarHBondContact O-OG 3.5Å; S331-Y335 WeakPolarHBondContact O-CB 3.32Å; S331-Y335 PolarHBondContact O-N 3.15Å |
| 332 | V | 91.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.6 | -45.1 | 175.8 | 166.7 | 0 | 0 | 0 | 0 | 110.7 | K311 V314 K315 L318 L328 E329 D330 Y335 I336 | K311-V332 HydrophobicContact CG-CG1 3.78Å; V314-V332 HydrophobicContact CB-CG1 4.21Å; V314-V332 HydrophobicContact CG1-CB 4.32Å; V314-V332 HydrophobicContact CG1-CG1 3.89Å; V314-V332 HydrophobicContact CG1-CG2 4.24Å; K315-V332 HydrophobicContact CB-CG2 3.91Å; K315-V332 HydrophobicContact CG-CG2 4.33Å; L318-V332 HydrophobicContact CD1-CG2 4.01Å; L328-V332 HydrophobicContact CD1-CG2 4.39Å; L328-V332 WeakPolarHBondContact O-CB 3.34Å; L328-V332 WeakPolarHBondContact O-CG2 3.35Å; L328-V332 PolarHBondContact O-N 2.93Å; E329-V332 PolarHBondContact O-N 3.41Å; D330-V332 VanDerWaalsContact C-N 3.32Å; D330-V332 PolarHBondContact O-N 3.46Å; V332-Y335 PolarHBondContact O-N 3.09Å; V332-I336 HydrophobicContact CG1-CD1 3.84Å; V332-I336 WeakPolarHBondContact O-CD1 3.39Å; V332-I336 VanDerWaalsContact O-CG1 3.23Å; V332-I336 WeakPolarHBondContact O-CG1 3.22Å; V332-I336 PolarHBondContact O-N 2.94Å |
| 333 | V | 90.9 | Very high | 87.7 | Confident | 23 Ų | 23 | 63.4 Ų | 63.4 | 14% | 0.139 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65 | -45.3 | 178.6 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | A248 E329 D330 Y335 I336 V337 | A248-V333 HydrophobicContact CB-CG1 4.33Å; E329-V333 WeakPolarHBondContact O-CG2 3.28Å; E329-V333 PolarHBondContact O-N 3.43Å; D330-V333 PolarHBondContact O-N 3.08Å; V333-Y335 VanDerWaalsContact C-N 3.32Å; V333-Y335 PolarHBondContact O-N 3.43Å; V333-I336 PolarHBondContact O-N 2.96Å; V333-I336 VanDerWaalsContact O-N 3.16Å; V333-V337 HydrophobicContact CG1-CG2 4.21Å; V333-V337 WeakPolarHBondContact O-CB 3.45Å; V333-V337 VanDerWaalsContact O-CG2 3.28Å; V333-V337 WeakPolarHBondContact O-CG2 3.43Å; V333-V337 PolarHBondContact O-N 3.45Å |
| 334 | D | 90 | Very high | 88.7 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 12% | 0.118 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 177.4 | -162.3 | 66.3 | 0 | 0 | 0 | 111.5 | T246 A248 D330 I336 V337 R338 | T246-D334 HydrophobicContact CG2-CB 3.75Å; A248-D334 HydrophobicContact CB-CB 4.44Å; A248-D334 PolarHBondContact N-OD1 3.04Å; D330-D334 WeakPolarHBondContact O-CB 3.38Å; D330-D334 PolarHBondContact O-N 2.93Å; D334-I336 PolarHBondContact O-N 3.03Å; D334-V337 PolarHBondContact O-N 2.94Å; D334-R338 WeakPolarHBondContact O-CB 3.45Å; D334-R338 WeakPolarHBondContact O-CD 3.26Å; D334-R338 WeakPolarHBondContact O-CG 3.36Å; D334-R338 PolarHBondContact O-N 3.33Å; D334-R338 VanDerWaalsContact OD2-CD 3.26Å; D334-R338 WeakPolarHBondContact OD2-CD 3.45Å; D334-R338 IonicContact OD2-NH1 2.67Å |
| 335 | Y | 91.8 | Very high | 89.8 | Confident | 90 Ų | 90 | 58.5 Ų | 58.5 | 35% | 0.353 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59 | -47.5 | 173.8 | -178.2 | -87.8 | 0 | 0 | 0 | 112 | V314 L318 S331 V332 V333 R338 N339 | V314-Y335 HydrophobicContact CB-CD1 4.31Å; V314-Y335 HydrophobicContact CG1-CD1 3.44Å; V314-Y335 VanDerWaalsContact CG1-CD1 3.44Å; V314-Y335 HydrophobicContact CG1-CE1 4.12Å; V314-Y335 HydrophobicContact CG1-CG 3.98Å; V314-Y335 HydrophobicContact CG2-CD1 3.81Å; V314-Y335 HydrophobicContact CG2-CE1 3.88Å; L318-Y335 HydrophobicContact CD1-CG 4.21Å; S331-Y335 WeakPolarHBondContact O-CB 3.32Å; S331-Y335 PolarHBondContact O-N 3.15Å; V332-Y335 PolarHBondContact O-N 3.09Å; V333-Y335 VanDerWaalsContact C-N 3.32Å; V333-Y335 PolarHBondContact O-N 3.43Å; Y335-R338 PolarHBondContact O-N 3.3Å; Y335-N339 HydrophobicContact CE1-CB 4.45Å; Y335-N339 WeakPolarHBondContact O-CB 3.41Å; Y335-N339 PolarHBondContact O-N 3.14Å; Y335-N339 VanDerWaalsContact O-N 3.12Å; Y335-N339 PolarHBondContact O-ND2 3.19Å |
| 336 | I | 93.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.2 | -45.4 | -179.7 | -67.3 | 164.2 | 0 | 0 | 0 | 110.9 | Y307 F310 K311 V314 V332 V333 D334 R338 N339 L340 T389 | Y307-I336 HydrophobicContact CD2-CG2 4.46Å; Y307-I336 HydrophobicContact CE2-CD1 3.99Å; Y307-I336 HydrophobicContact CE2-CG2 4.05Å; F310-I336 HydrophobicContact CD1-CB 4.42Å; F310-I336 HydrophobicContact CD1-CD1 4.31Å; F310-I336 HydrophobicContact CD1-CG1 3.81Å; F310-I336 HydrophobicContact CD1-CG2 3.93Å; F310-I336 HydrophobicContact CE1-CB 4.11Å; F310-I336 HydrophobicContact CE1-CG1 3.7Å; F310-I336 HydrophobicContact CE1-CG2 3.84Å; K311-I336 HydrophobicContact CB-CD1 3.94Å; K311-I336 HydrophobicContact CG-CD1 4.03Å; V314-I336 HydrophobicContact CB-CG1 4.46Å; V314-I336 HydrophobicContact CG1-CG1 4.43Å; V314-I336 HydrophobicContact CG2-CG1 4.12Å; V332-I336 HydrophobicContact CG1-CD1 3.84Å; V332-I336 WeakPolarHBondContact O-CD1 3.39Å; V332-I336 VanDerWaalsContact O-CG1 3.23Å; V332-I336 WeakPolarHBondContact O-CG1 3.22Å; V332-I336 PolarHBondContact O-N 2.94Å; V333-I336 PolarHBondContact O-N 2.96Å; V333-I336 VanDerWaalsContact O-N 3.16Å; D334-I336 PolarHBondContact O-N 3.03Å; I336-R338 PolarHBondContact O-N 2.92Å; I336-N339 CarbonylContact O-C 3.45Å; I336-N339 PolarHBondContact O-N 3.1Å; I336-N339 VanDerWaalsContact O-N 3.12Å; I336-L340 PolarHBondContact O-N 3.15Å; I336-T389 HydrophobicContact CG2-CG2 3.69Å |
| 337 | V | 91.7 | Very high | 91.6 | Very high | 22 Ų | 22 | 54.4 Ų | 54.4 | 13% | 0.133 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.8 | -32.3 | -179.3 | 169.4 | 0 | 0 | 0 | 0 | 111.9 | A248 R255 V333 D334 | A248-V337 HydrophobicContact CB-CG2 4.32Å; R255-V337 VanDerWaalsContact NH1-CG1 3.27Å; V333-V337 HydrophobicContact CG1-CG2 4.21Å; V333-V337 WeakPolarHBondContact O-CB 3.45Å; V333-V337 VanDerWaalsContact O-CG2 3.28Å; V333-V337 WeakPolarHBondContact O-CG2 3.43Å; V333-V337 PolarHBondContact O-N 3.45Å; D334-V337 PolarHBondContact O-N 2.94Å |
| 338 | R | 89.9 | Confident | 92.1 | Very high | 159 Ų | 159 | 51.4 Ų | 51.4 | 60% | 0.6 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -79 | -22.5 | 176.8 | -68.8 | 171.5 | 78.6 | 135.3 | 3.6 | 113.8 | D334 Y335 I336 | D334-R338 WeakPolarHBondContact O-CB 3.45Å; D334-R338 WeakPolarHBondContact O-CD 3.26Å; D334-R338 WeakPolarHBondContact O-CG 3.36Å; D334-R338 PolarHBondContact O-N 3.33Å; D334-R338 VanDerWaalsContact OD2-CD 3.26Å; D334-R338 WeakPolarHBondContact OD2-CD 3.45Å; D334-R338 IonicContact OD2-NH1 2.67Å; Y335-R338 PolarHBondContact O-N 3.3Å; I336-R338 PolarHBondContact O-N 2.92Å |
| 339 | N | 92.5 | Very high | 92.6 | Very high | 44 Ų | 44 | 49.3 Ų | 49.3 | 24% | 0.235 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | 44.4 | -174.1 | -59.8 | -85.6 | 0 | 0 | 0 | 111.5 | Y335 I336 D341 L342 | Y335-N339 HydrophobicContact CE1-CB 4.45Å; Y335-N339 WeakPolarHBondContact O-CB 3.41Å; Y335-N339 PolarHBondContact O-N 3.14Å; Y335-N339 VanDerWaalsContact O-N 3.12Å; Y335-N339 PolarHBondContact O-ND2 3.19Å; I336-N339 CarbonylContact O-C 3.45Å; I336-N339 PolarHBondContact O-N 3.1Å; I336-N339 VanDerWaalsContact O-N 3.12Å; N339-D341 VanDerWaalsContact CA-OD1 3.26Å; N339-D341 WeakPolarHBondContact CA-OD1 3.43Å; N339-D341 PolarHBondContact O-N 3.34Å; N339-L342 HydrophobicContact CB-CD1 3.7Å; N339-L342 HydrophobicContact CB-CG 3.97Å; N339-L342 WeakPolarHBondContact O-CB 3.5Å; N339-L342 PolarHBondContact O-N 2.88Å |
| 340 | L | 90.4 | Very high | 93 | Very high | 58 Ų | 58 | 50.5 Ų | 50.5 | 30% | 0.304 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -63.1 | -23.1 | 177.5 | -71.5 | 173.7 | 0 | 0 | 0 | 112.6 | I336 L342 Y343 F385 T389 | I336-L340 PolarHBondContact O-N 3.15Å; L340-L342 VanDerWaalsContact C-N 3.27Å; L340-L342 PolarHBondContact O-N 3.22Å; L340-Y343 VanDerWaalsContact O-CB 3.25Å; L340-Y343 WeakPolarHBondContact O-CB 3.47Å; L340-Y343 PolarHBondContact O-N 3.2Å; L340-F385 HydrophobicContact CD2-CD1 4.25Å; L340-F385 HydrophobicContact CD2-CE1 4.04Å; L340-T389 HydrophobicContact CD2-CG2 3.84Å |
| 341 | D | 90.9 | Very high | 93.4 | Very high | 129 Ų | 129 | 52.5 Ų | 52.5 | 69% | 0.69 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -67.6 | -22.8 | 175.7 | 61.8 | -51.4 | 0 | 0 | 0 | 113.4 | N339 Y343 | N339-D341 VanDerWaalsContact CA-OD1 3.26Å; N339-D341 WeakPolarHBondContact CA-OD1 3.43Å; N339-D341 PolarHBondContact O-N 3.34Å; D341-Y343 PolarHBondContact O-N 2.82Å |
| 342 | L | 92.4 | Very high | 93.8 | Very high | 83 Ų | 83 | 51 Ų | 51 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -73.9 | -3.4 | 173.9 | -61.2 | -177.4 | 0 | 0 | 0 | 113.3 | F310 N339 L340 D344 | F310-L342 HydrophobicContact CE2-CB 4.37Å; F310-L342 HydrophobicContact CZ-CB 4.05Å; F310-L342 HydrophobicContact CZ-CD1 4.49Å; N339-L342 HydrophobicContact CB-CD1 3.7Å; N339-L342 HydrophobicContact CB-CG 3.97Å; N339-L342 WeakPolarHBondContact O-CB 3.5Å; N339-L342 PolarHBondContact O-N 2.88Å; L340-L342 VanDerWaalsContact C-N 3.27Å; L340-L342 PolarHBondContact O-N 3.22Å; L342-D344 PolarHBondContact O-N 3.08Å |
| 343 | Y | 95.2 | Very high | 93.9 | Very high | 22 Ų | 22 | 51.7 Ų | 51.7 | 9% | 0.086 | 26% | 0.262 | C | S | . | . | trans | -67.6 | 116.8 | 173.8 | 173.3 | -141.7 | 0 | 0 | 0 | 110.6 | A306 L340 D341 V345 S348 F385 | A306-Y343 HydrophobicContact CB-CE2 3.82Å; L340-Y343 VanDerWaalsContact O-CB 3.25Å; L340-Y343 WeakPolarHBondContact O-CB 3.47Å; L340-Y343 PolarHBondContact O-N 3.2Å; D341-Y343 PolarHBondContact O-N 2.82Å; Y343-V345 VanDerWaalsContact C-N 3.29Å; Y343-V345 HydrophobicContact CD1-CB 4.48Å; Y343-V345 HydrophobicContact CD1-CG2 3.46Å; Y343-V345 VanDerWaalsContact CD1-CG2 3.46Å; Y343-V345 HydrophobicContact CE1-CB 4.22Å; Y343-V345 HydrophobicContact CE1-CG1 4.49Å; Y343-V345 HydrophobicContact CE1-CG2 3.57Å; Y343-V345 HydrophobicContact CG-CG2 4.17Å; Y343-V345 PolarHBondContact O-N 2.9Å; Y343-S348 WeakPolarHBondContact CE2-OG 3.49Å; Y343-S348 WeakPolarHBondContact OH-CB 3.31Å; Y343-S348 PolarHBondContact OH-OG 3.49Å; Y343-F385 HydrophobicContact CD1-CB 3.64Å; Y343-F385 AromaticContact CD1-CD1 3.79Å; Y343-F385 HydrophobicContact CD1-CD1 3.79Å; Y343-F385 AromaticContact CD1-CD2 3.96Å; Y343-F385 HydrophobicContact CD1-CD2 3.96Å; Y343-F385 HydrophobicContact CD1-CE1 4.43Å; Y343-F385 AromaticContact CD1-CG 3.52Å; Y343-F385 HydrophobicContact CD1-CG 3.52Å; Y343-F385 HydrophobicContact CD2-CD1 4.4Å; Y343-F385 AromaticContact CD2-CD2 3.5Å; Y343-F385 HydrophobicContact CD2-CD2 3.5Å; Y343-F385 HydrophobicContact CD2-CE1 4.46Å; Y343-F385 AromaticContact CD2-CE2 3.54Å; Y343-F385 HydrophobicContact CD2-CE2 3.54Å; Y343-F385 AromaticContact CD2-CG 3.95Å; Y343-F385 HydrophobicContact CD2-CG 3.95Å; Y343-F385 HydrophobicContact CD2-CZ 4.04Å; Y343-F385 HydrophobicContact CE1-CB 3.37Å; Y343-F385 HydrophobicContact CE1-CD1 4.39Å; Y343-F385 AromaticContact CE1-CD2 3.98Å; Y343-F385 HydrophobicContact CE1-CD2 3.98Å; Y343-F385 AromaticContact CE1-CG 3.68Å; Y343-F385 HydrophobicContact CE1-CG 3.68Å; Y343-F385 HydrophobicContact CE2-CB 4.48Å; Y343-F385 AromaticContact CE2-CD2 3.56Å; Y343-F385 HydrophobicContact CE2-CD2 3.56Å; Y343-F385 AromaticContact CE2-CE2 3.97Å; Y343-F385 HydrophobicContact CE2-CE2 3.97Å; Y343-F385 HydrophobicContact CE2-CG 4.13Å; Y343-F385 HydrophobicContact CG-CB 4.3Å; Y343-F385 AromaticContact CG-CD1 3.81Å; Y343-F385 HydrophobicContact CG-CD1 3.81Å; Y343-F385 AromaticContact CG-CD2 3.74Å; Y343-F385 HydrophobicContact CG-CD2 3.74Å; Y343-F385 AromaticContact CG-CE1 3.99Å; Y343-F385 HydrophobicContact CG-CE1 3.99Å; Y343-F385 AromaticContact CG-CE2 3.9Å; Y343-F385 HydrophobicContact CG-CE2 3.9Å; Y343-F385 AromaticContact CG-CG 3.68Å; Y343-F385 HydrophobicContact CG-CG 3.68Å; Y343-F385 HydrophobicContact CG-CZ 4.03Å; Y343-F385 AromaticContact CZ-CD2 3.8Å; Y343-F385 AromaticContact CZ-CG 3.99Å | ||
| 344 | D | 95.4 | Very high | 94.1 | Very high | 95 Ų | 95 | 55.3 Ų | 55.3 | 51% | 0.508 | 28% | 0.28 | S | S | . | . | trans | -74.5 | 83.3 | 171.7 | -172.3 | -6.1 | 0 | 0 | 0 | 111 | L342 Q346 A347 | L342-D344 PolarHBondContact O-N 3.08Å; D344-Q346 PolarHBondContact O-N 3.33Å; D344-Q346 WeakPolarHBondContact OD1-CB 3.36Å; D344-Q346 PolarHBondContact OD1-N 3.5Å; D344-A347 HydrophobicContact CB-CB 4.29Å; D344-A347 PolarHBondContact O-N 2.95Å; D344-A347 PolarHBondContact OD1-N 2.94Å | ||
| 345 | V | 96.4 | Very high | 94.3 | Very high | 18 Ų | 18 | 55.6 Ų | 55.6 | 11% | 0.109 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.3 | -28.7 | 176.2 | -174.1 | 0 | 0 | 0 | 0 | 111.1 | Y343 S348 V349 R378 C381 R382 | Y343-V345 VanDerWaalsContact C-N 3.29Å; Y343-V345 HydrophobicContact CD1-CB 4.48Å; Y343-V345 HydrophobicContact CD1-CG2 3.46Å; Y343-V345 VanDerWaalsContact CD1-CG2 3.46Å; Y343-V345 HydrophobicContact CE1-CB 4.22Å; Y343-V345 HydrophobicContact CE1-CG1 4.49Å; Y343-V345 HydrophobicContact CE1-CG2 3.57Å; Y343-V345 HydrophobicContact CG-CG2 4.17Å; Y343-V345 PolarHBondContact O-N 2.9Å; V345-S348 PolarHBondContact O-N 3.42Å; V345-V349 HydrophobicContact CG1-CG2 4.12Å; V345-V349 WeakPolarHBondContact O-CG2 3.47Å; V345-V349 PolarHBondContact O-N 3.08Å; V345-R378 HydrophobicContact CG1-CB 4.37Å; V345-R378 HydrophobicContact CG1-CG 3.68Å; V345-C381 HydrophobicContact CG1-CB 4.13Å; V345-R382 HydrophobicContact CG1-CG 4.11Å; V345-R382 HydrophobicContact CG2-CG 3.64Å |
| 346 | Q | 96.3 | Very high | 94.4 | Very high | 76 Ų | 76 | 51.4 Ų | 51.4 | 36% | 0.355 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.3 | -41.7 | -177.6 | -65.3 | -48.4 | -97.6 | 0 | 0 | 112.8 | D344 S348 V349 N350 R378 | D344-Q346 PolarHBondContact O-N 3.33Å; D344-Q346 WeakPolarHBondContact OD1-CB 3.36Å; D344-Q346 PolarHBondContact OD1-N 3.5Å; Q346-S348 VanDerWaalsContact C-N 3.31Å; Q346-S348 PolarHBondContact O-N 2.83Å; Q346-V349 PolarHBondContact O-N 3.44Å; Q346-N350 VanDerWaalsContact O-CG 3.31Å; Q346-N350 PolarHBondContact O-N 3.44Å; Q346-N350 PolarHBondContact O-ND2 3.49Å; Q346-R378 VanDerWaalsContact CD-NH1 3.28Å |
| 347 | A | 96.4 | Very high | 94.3 | Very high | 41 Ų | 41 | 55.8 Ų | 55.8 | 34% | 0.339 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -55.4 | -49.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | D344 V349 N350 D351 | D344-A347 HydrophobicContact CB-CB 4.29Å; D344-A347 PolarHBondContact O-N 2.95Å; D344-A347 PolarHBondContact OD1-N 2.94Å; A347-V349 PolarHBondContact O-N 2.98Å; A347-N350 PolarHBondContact O-N 3.36Å; A347-D351 PolarHBondContact O-N 3.21Å |
| 348 | S | 97.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.014 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65 | -38.1 | 178.7 | -62.3 | 0 | 0 | 0 | 0 | 113.7 | Y343 V345 Q346 N350 D351 V352 | Y343-S348 WeakPolarHBondContact CE2-OG 3.49Å; Y343-S348 WeakPolarHBondContact OH-CB 3.31Å; Y343-S348 PolarHBondContact OH-OG 3.49Å; V345-S348 PolarHBondContact O-N 3.42Å; Q346-S348 VanDerWaalsContact C-N 3.31Å; Q346-S348 PolarHBondContact O-N 2.83Å; S348-N350 VanDerWaalsContact C-N 3.31Å; S348-N350 PolarHBondContact O-N 2.82Å; S348-D351 PolarHBondContact O-N 3.38Å; S348-V352 VanDerWaalsContact O-CG2 3.25Å; S348-V352 WeakPolarHBondContact O-CG2 3.42Å; S348-V352 PolarHBondContact O-N 2.76Å |
| 349 | V | 97.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 175.3 | 166.6 | 0 | 0 | 0 | 0 | 110.9 | V345 Q346 A347 V352 I353 N374 I377 R378 | V345-V349 HydrophobicContact CG1-CG2 4.12Å; V345-V349 WeakPolarHBondContact O-CG2 3.47Å; V345-V349 PolarHBondContact O-N 3.08Å; Q346-V349 PolarHBondContact O-N 3.44Å; A347-V349 PolarHBondContact O-N 2.98Å; V349-V352 PolarHBondContact O-N 3.49Å; V349-I353 HydrophobicContact CG1-CD1 3.85Å; V349-I353 WeakPolarHBondContact O-CG1 3.43Å; V349-I353 PolarHBondContact O-N 3.12Å; V349-N374 WeakPolarHBondContact CG1-OD1 3.25Å; V349-I377 HydrophobicContact CB-CG2 4.42Å; V349-I377 HydrophobicContact CG1-CG2 4.3Å; V349-I377 HydrophobicContact CG2-CG2 4.08Å; V349-R378 HydrophobicContact CG2-CB 4.01Å |
| 350 | N | 96.4 | Very high | 94.1 | Very high | 90 Ų | 90 | 58.1 Ų | 58.1 | 48% | 0.481 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 177.8 | -67.4 | -25.8 | 0 | 0 | 0 | 111.4 | Q346 A347 S348 V352 I353 N354 | Q346-N350 VanDerWaalsContact O-CG 3.31Å; Q346-N350 PolarHBondContact O-N 3.44Å; Q346-N350 PolarHBondContact O-ND2 3.49Å; A347-N350 PolarHBondContact O-N 3.36Å; S348-N350 VanDerWaalsContact C-N 3.31Å; S348-N350 PolarHBondContact O-N 2.82Å; N350-V352 VanDerWaalsContact C-N 3.29Å; N350-V352 PolarHBondContact O-N 3.22Å; N350-I353 PolarHBondContact O-N 2.84Å; N350-N354 WeakPolarHBondContact O-CB 3.13Å; N350-N354 PolarHBondContact O-N 3.43Å; N350-N354 PolarHBondContact O-ND2 3.38Å; N350-N354 VanDerWaalsContact O-ND2 3.12Å |
| 351 | D | 96.3 | Very high | 93.8 | Very high | 94 Ų | 94 | 62.4 Ų | 62.4 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59 | -41.8 | 175.3 | -67.5 | -23.4 | 0 | 0 | 0 | 111.6 | A302 A347 S348 N354 A355 | A302-D351 HydrophobicContact CB-CB 4.42Å; A347-D351 PolarHBondContact O-N 3.21Å; S348-D351 PolarHBondContact O-N 3.38Å; D351-N354 PolarHBondContact O-N 2.99Å; D351-A355 WeakPolarHBondContact O-CB 3.12Å; D351-A355 PolarHBondContact O-N 2.86Å |
| 352 | V | 97.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.9 | -49.2 | 176.4 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | E298 A299 A302 S348 V349 N350 N354 A355 M356 I377 | E298-V352 HydrophobicContact CB-CG1 3.96Å; E298-V352 HydrophobicContact CB-CG2 4.39Å; A299-V352 HydrophobicContact CB-CG2 4.15Å; A302-V352 HydrophobicContact CB-CG2 3.75Å; S348-V352 VanDerWaalsContact O-CG2 3.25Å; S348-V352 WeakPolarHBondContact O-CG2 3.42Å; S348-V352 PolarHBondContact O-N 2.76Å; V349-V352 PolarHBondContact O-N 3.49Å; N350-V352 VanDerWaalsContact C-N 3.29Å; N350-V352 PolarHBondContact O-N 3.22Å; V352-N354 VanDerWaalsContact C-N 3.28Å; V352-N354 PolarHBondContact O-N 3.43Å; V352-A355 PolarHBondContact O-N 3.18Å; V352-A355 VanDerWaalsContact O-N 3.17Å; V352-M356 HydrophobicContact CG1-CG 4.22Å; V352-M356 HydrophobicContact CG1-SD 3.84Å; V352-M356 WeakPolarHBondContact O-CB 3.49Å; V352-M356 VanDerWaalsContact O-CG 3.27Å; V352-M356 WeakPolarHBondContact O-CG 3.29Å; V352-M356 PolarHBondContact O-N 3.02Å; V352-I377 HydrophobicContact CB-CG2 3.89Å; V352-I377 HydrophobicContact CG1-CD1 4.27Å; V352-I377 HydrophobicContact CG1-CG1 4.47Å; V352-I377 HydrophobicContact CG1-CG2 3.69Å; V352-I377 HydrophobicContact CG2-CG2 4.22Å |
| 353 | I | 94.8 | Very high | 93.2 | Very high | 14 Ų | 14 | 56.5 Ų | 56.5 | 7% | 0.072 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 179.5 | -69.3 | 169.1 | 0 | 0 | 0 | 110.3 | V349 N350 A355 M356 N357 F370 V371 I377 | V349-I353 HydrophobicContact CG1-CD1 3.85Å; V349-I353 WeakPolarHBondContact O-CG1 3.43Å; V349-I353 PolarHBondContact O-N 3.12Å; N350-I353 PolarHBondContact O-N 2.84Å; I353-A355 PolarHBondContact O-N 3.33Å; I353-M356 PolarHBondContact O-N 2.98Å; I353-N357 WeakPolarHBondContact O-CB 3.37Å; I353-N357 PolarHBondContact O-N 3.49Å; I353-N357 PolarHBondContact O-ND2 3.03Å; I353-F370 HydrophobicContact CG2-CB 4.48Å; I353-V371 HydrophobicContact CD1-CG2 4.02Å; I353-I377 HydrophobicContact CG1-CD1 4.07Å |
| 354 | N | 94.1 | Very high | 92.4 | Very high | 99 Ų | 99 | 57 Ų | 57 | 53% | 0.529 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 176.1 | -71 | -29.4 | 0 | 0 | 0 | 112.2 | N350 D351 V352 N357 | N350-N354 WeakPolarHBondContact O-CB 3.13Å; N350-N354 PolarHBondContact O-N 3.43Å; N350-N354 PolarHBondContact O-ND2 3.38Å; N350-N354 VanDerWaalsContact O-ND2 3.12Å; D351-N354 PolarHBondContact O-N 2.99Å; V352-N354 VanDerWaalsContact C-N 3.28Å; V352-N354 PolarHBondContact O-N 3.43Å; N354-N357 PolarHBondContact O-N 3.22Å |
| 355 | A | 94.3 | Very high | 91.6 | Very high | 28 Ų | 28 | 54.3 Ų | 54.3 | 23% | 0.231 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E298 D351 V352 I353 V358 N359 | E298-A355 HydrophobicContact CG-CB 4.21Å; D351-A355 WeakPolarHBondContact O-CB 3.12Å; D351-A355 PolarHBondContact O-N 2.86Å; V352-A355 PolarHBondContact O-N 3.18Å; V352-A355 VanDerWaalsContact O-N 3.17Å; I353-A355 PolarHBondContact O-N 3.33Å; A355-V358 VanDerWaalsContact O-CG2 3.29Å; A355-V358 WeakPolarHBondContact O-CG2 3.48Å; A355-V358 PolarHBondContact O-N 3.1Å; A355-N359 PolarHBondContact O-N 3.47Å |
| 356 | M | 93.9 | Very high | 90.4 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 176.5 | -72.1 | -179.3 | 69.4 | 0 | 0 | 112.1 | I291 I294 A295 E298 V352 I353 V358 N359 I362 F370 I373 I377 | I291-M356 HydrophobicContact CG2-CE 3.79Å; I294-M356 HydrophobicContact CG2-CG 4.26Å; A295-M356 HydrophobicContact CB-CE 3.79Å; A295-M356 HydrophobicContact CB-SD 3.64Å; E298-M356 HydrophobicContact CG-CG 4.48Å; V352-M356 HydrophobicContact CG1-CG 4.22Å; V352-M356 HydrophobicContact CG1-SD 3.84Å; V352-M356 WeakPolarHBondContact O-CB 3.49Å; V352-M356 VanDerWaalsContact O-CG 3.27Å; V352-M356 WeakPolarHBondContact O-CG 3.29Å; V352-M356 PolarHBondContact O-N 3.02Å; I353-M356 PolarHBondContact O-N 2.98Å; M356-V358 PolarHBondContact O-N 3.46Å; M356-N359 WeakPolarHBondContact O-CB 3.5Å; M356-N359 PolarHBondContact O-N 3.01Å; M356-N359 VanDerWaalsContact O-N 3.1Å; M356-I362 HydrophobicContact CB-CD1 4.09Å; M356-I362 HydrophobicContact CE-CD1 3.99Å; M356-I362 HydrophobicContact CG-CD1 4.38Å; M356-F370 HydrophobicContact CB-CD2 3.86Å; M356-F370 HydrophobicContact CB-CE2 3.91Å; M356-F370 HydrophobicContact CB-CG 4.4Å; M356-F370 HydrophobicContact CB-CZ 4.47Å; M356-F370 HydrophobicContact CE-CB 4.5Å; M356-F370 HydrophobicContact CE-CD1 3.57Å; M356-F370 HydrophobicContact CE-CD2 4.4Å; M356-F370 HydrophobicContact CE-CE1 3.76Å; M356-F370 HydrophobicContact CE-CG 3.92Å; M356-F370 HydrophobicContact CE-CZ 4.25Å; M356-I373 HydrophobicContact CE-CD1 4.3Å; M356-I377 HydrophobicContact SD-CD1 4.16Å |
| 357 | N | 91.5 | Very high | 89.4 | Confident | 93 Ų | 93 | 63.1 Ų | 63.1 | 50% | 0.497 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.9 | -25.2 | 179.9 | -81.3 | -33.6 | 0 | 0 | 0 | 114 | I353 N354 F370 | I353-N357 WeakPolarHBondContact O-CB 3.37Å; I353-N357 PolarHBondContact O-N 3.49Å; I353-N357 PolarHBondContact O-ND2 3.03Å; N354-N357 PolarHBondContact O-N 3.22Å; N357-F370 VanDerWaalsContact OD1-CD2 3.23Å; N357-F370 WeakPolarHBondContact OD1-CD2 3.21Å; N357-F370 WeakPolarHBondContact OD1-CE2 3.31Å |
| 358 | V | 91.4 | Very high | 88.4 | Confident | 117 Ų | 117 | 62.9 Ų | 62.9 | 71% | 0.709 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 0.5 | 178 | -59.7 | 0 | 0 | 0 | 0 | 113.3 | A355 M356 P360 | A355-V358 VanDerWaalsContact O-CG2 3.29Å; A355-V358 WeakPolarHBondContact O-CG2 3.48Å; A355-V358 PolarHBondContact O-N 3.1Å; M356-V358 PolarHBondContact O-N 3.46Å; V358-P360 WeakPolarHBondContact O-CD 3.23Å |
| 359 | N | 89.4 | Confident | 87.8 | Confident | 29 Ų | 29 | 66.6 Ų | 66.6 | 16% | 0.155 | 37% | 0.369 | C | S | . | . | trans | -81 | 118.8 | -172.3 | -166.8 | -48.2 | 0 | 0 | 0 | 111.7 | I294 A355 M356 R361 I362 | I294-N359 WeakPolarHBondContact CG2-ND2 3.26Å; A355-N359 PolarHBondContact O-N 3.47Å; M356-N359 WeakPolarHBondContact O-CB 3.5Å; M356-N359 PolarHBondContact O-N 3.01Å; M356-N359 VanDerWaalsContact O-N 3.1Å; N359-R361 PolarHBondContact O-N 3.46Å; N359-R361 VanDerWaalsContact O-N 3.14Å; N359-R361 WeakPolarHBondContact OD1-CB 3.42Å; N359-R361 PolarHBondContact OD1-N 2.98Å; N359-I362 HydrophobicContact CB-CD1 4.27Å; N359-I362 HydrophobicContact CB-CG1 3.94Å; N359-I362 PolarHBondContact O-N 3.25Å | ||
| 360 | P | 88 | Confident | 87.3 | Confident | 128 Ų | 128 | 66.7 Ų | 66.7 | 83% | 0.831 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -7.1 | -174.2 | 31.1 | -37.3 | 0 | 0 | 0 | 114.3 | V358 | V358-P360 WeakPolarHBondContact O-CD 3.23Š|
| 361 | R | 85.8 | Confident | 86.9 | Confident | 147 Ų | 147 | 66 Ų | 66 | 56% | 0.555 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -13 | -178 | -63.8 | -175.1 | 178.9 | 167.2 | 3.7 | 113.5 | I294 N359 | I294-R361 HydrophobicContact CD1-CB 3.82Å; N359-R361 PolarHBondContact O-N 3.46Å; N359-R361 VanDerWaalsContact O-N 3.14Å; N359-R361 WeakPolarHBondContact OD1-CB 3.42Å; N359-R361 PolarHBondContact OD1-N 2.98Å |
| 362 | I | 88.6 | Confident | 86.7 | Confident | 16 Ų | 16 | 63.7 Ų | 63.7 | 8% | 0.082 | 36% | 0.355 | C | S | . | . | trans | -123.8 | 147.1 | 178.5 | 51.3 | 172.7 | 0 | 0 | 0 | 109.6 | M287 R290 I291 I294 M356 N359 F370 | M287-I362 HydrophobicContact SD-CB 4.32Å; M287-I362 HydrophobicContact SD-CG2 4.31Å; R290-I362 HydrophobicContact CB-CG2 3.8Å; I291-I362 HydrophobicContact CB-CG2 4.47Å; I291-I362 HydrophobicContact CG1-CB 3.96Å; I291-I362 HydrophobicContact CG1-CG2 3.78Å; I294-I362 HydrophobicContact CB-CD1 4.34Å; I294-I362 HydrophobicContact CD1-CB 4.28Å; I294-I362 HydrophobicContact CD1-CD1 4.25Å; I294-I362 HydrophobicContact CD1-CG1 4.05Å; I294-I362 HydrophobicContact CD1-CG2 3.44Å; I294-I362 VanDerWaalsContact CD1-CG2 3.44Å; I294-I362 HydrophobicContact CG1-CG2 4.3Å; I294-I362 HydrophobicContact CG2-CD1 4.05Å; M356-I362 HydrophobicContact CB-CD1 4.09Å; M356-I362 HydrophobicContact CE-CD1 3.99Å; M356-I362 HydrophobicContact CG-CD1 4.38Å; N359-I362 HydrophobicContact CB-CD1 4.27Å; N359-I362 HydrophobicContact CB-CG1 3.94Å; N359-I362 PolarHBondContact O-N 3.25Å; I362-F370 HydrophobicContact CD1-CE1 4.26Å; I362-F370 HydrophobicContact CD1-CE2 4.4Å; I362-F370 HydrophobicContact CD1-CZ 3.75Å; I362-F370 HydrophobicContact CG1-CZ 4.45Å | ||
| 363 | S | 82.1 | Confident | 86.6 | Confident | 72 Ų | 72 | 63.7 Ų | 63.7 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | trans | -129.4 | 134.8 | 172.5 | 58.4 | 0 | 0 | 0 | 0 | 107.7 | M287 | M287-S363 VanDerWaalsContact CE-OG 3.25Å; M287-S363 WeakPolarHBondContact CE-OG 3.31Å; M287-S363 PolarHBondContact SD-N 3.41Å | ||
| 364 | F | 78.1 | Confident | 86.6 | Confident | 33 Ų | 33 | 65.2 Ų | 65.2 | 15% | 0.145 | 36% | 0.363 | C | S | . | . | trans | -117.4 | 140.2 | 174.3 | -151.2 | -121.4 | 0 | 0 | 0 | 108.2 | L278 I282 I291 V368 D369 F370 L372 | L278-F364 HydrophobicContact CD2-CE2 3.61Å; L278-F364 HydrophobicContact CD2-CZ 4.04Å; I282-F364 HydrophobicContact CD1-CD2 3.58Å; I282-F364 HydrophobicContact CD1-CE2 3.54Å; I282-F364 HydrophobicContact CG1-CE2 4.42Å; I291-F364 HydrophobicContact CD1-CD2 3.78Å; I291-F364 HydrophobicContact CD1-CE2 4.24Å; F364-V368 VanDerWaalsContact CD1-C 3.48Å; F364-V368 HydrophobicContact CD1-CB 3.93Å; F364-V368 HydrophobicContact CD1-CG1 4.39Å; F364-V368 WeakPolarHBondContact CD1-O 3.49Å; F364-V368 HydrophobicContact CE1-CB 3.28Å; F364-V368 HydrophobicContact CE1-CG1 3.29Å; F364-V368 WeakPolarHBondContact CE1-O 3.46Å; F364-V368 HydrophobicContact CZ-CB 3.85Å; F364-V368 HydrophobicContact CZ-CG1 3.49Å; F364-V368 VanDerWaalsContact CZ-CG1 3.49Å; F364-D369 WeakPolarHBondContact CE1-O 3.35Å; F364-F370 HydrophobicContact CB-CE1 3.82Å; F364-F370 HydrophobicContact CB-CE2 4.22Å; F364-F370 HydrophobicContact CB-CZ 3.6Å; F364-F370 HydrophobicContact CD1-CD1 4.35Å; F364-F370 HydrophobicContact CD1-CE1 4.32Å; F364-F370 HydrophobicContact CD2-CD1 4.04Å; F364-F370 AromaticContact CD2-CE1 3.56Å; F364-F370 HydrophobicContact CD2-CE1 3.56Å; F364-F370 HydrophobicContact CD2-CZ 4.25Å; F364-F370 HydrophobicContact CE2-CD1 4.31Å; F364-F370 HydrophobicContact CE2-CE1 4.23Å; F364-F370 HydrophobicContact CG-CD1 4.1Å; F364-F370 AromaticContact CG-CE1 3.66Å; F364-F370 HydrophobicContact CG-CE1 3.66Å; F364-F370 AromaticContact CG-CZ 3.96Å; F364-F370 HydrophobicContact CG-CZ 3.96Å; F364-L372 HydrophobicContact CZ-CD2 4.13Å | ||
| 365 | P | 78.5 | Confident | 86.6 | Confident | 38 Ų | 38 | 64.3 Ų | 64.3 | 25% | 0.247 | 37% | 0.365 | C | S | . | . | trans | -53.6 | 134.5 | 174.3 | -23.1 | 33 | 0 | 0 | 0 | 109.6 | I282 E367 V368 | I282-P365 HydrophobicContact CG1-CG 4.19Å; P365-E367 WeakPolarHBondContact CB-OE2 3.46Å; P365-E367 PolarHBondContact O-N 2.96Å; P365-V368 HydrophobicContact CB-CG2 4.35Å; P365-V368 PolarHBondContact O-N 3.41Å | ||
| 366 | P | 71.6 | Confident | 86.8 | Confident | 122 Ų | 122 | 63.2 Ų | 63.2 | 79% | 0.792 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -15.8 | -174.5 | 24.2 | -32.5 | 0 | 0 | 0 | 113.6 | ||
| 367 | E | 74 | Confident | 87 | Confident | 158 Ų | 158 | 63.1 Ų | 63.1 | 74% | 0.738 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -9.1 | 178.6 | -55.6 | 79.4 | -171.6 | 0 | 0 | 113.9 | P365 | P365-E367 WeakPolarHBondContact CB-OE2 3.46Å; P365-E367 PolarHBondContact O-N 2.96Å |
| 368 | V | 76.6 | Confident | 87.3 | Confident | 35 Ų | 35 | 61.4 Ų | 61.4 | 21% | 0.212 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -124.5 | 148.7 | -173.8 | -162.7 | 0 | 0 | 0 | 0 | 108.4 | Y281 F364 P365 L372 | Y281-V368 HydrophobicContact CD1-CG1 4.34Å; Y281-V368 HydrophobicContact CD1-CG2 3.85Å; Y281-V368 HydrophobicContact CG-CG1 4.3Å; Y281-V368 HydrophobicContact CG-CG2 4.26Å; F364-V368 VanDerWaalsContact CD1-C 3.48Å; F364-V368 HydrophobicContact CD1-CB 3.93Å; F364-V368 HydrophobicContact CD1-CG1 4.39Å; F364-V368 WeakPolarHBondContact CD1-O 3.49Å; F364-V368 HydrophobicContact CE1-CB 3.28Å; F364-V368 HydrophobicContact CE1-CG1 3.29Å; F364-V368 WeakPolarHBondContact CE1-O 3.46Å; F364-V368 HydrophobicContact CZ-CB 3.85Å; F364-V368 HydrophobicContact CZ-CG1 3.49Å; F364-V368 VanDerWaalsContact CZ-CG1 3.49Å; P365-V368 HydrophobicContact CB-CG2 4.35Å; P365-V368 PolarHBondContact O-N 3.41Å; V368-L372 HydrophobicContact CG1-CD2 3.81Å |
| 369 | D | 84.4 | Confident | 87.5 | Confident | 80 Ų | 80 | 58 Ų | 58 | 43% | 0.428 | 32% | 0.317 | S | S | . | . | trans | -112.1 | 149.2 | 175.9 | -167.9 | -14.7 | 0 | 0 | 0 | 111.6 | F364 V371 L372 | F364-D369 WeakPolarHBondContact CE1-O 3.35Å; D369-V371 HydrophobicContact CB-CB 4.31Å; D369-V371 HydrophobicContact CB-CG2 4.38Å; D369-V371 PolarHBondContact O-N 3.21Å; D369-V371 VanDerWaalsContact O-N 3.12Å; D369-V371 PolarHBondContact OD1-N 2.96Å; D369-V371 WeakPolarHBondContact OD2-CG2 3.3Å; D369-L372 WeakPolarHBondContact O-CB 3.36Å; D369-L372 PolarHBondContact O-N 2.98Å | ||
| 370 | F | 87.3 | Confident | 87.9 | Confident | 5 Ų | 5 | 56.6 Ų | 56.6 | 2% | 0.022 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -62.1 | -13.6 | 173.3 | -67.3 | -59.9 | 0 | 0 | 0 | 113.5 | I291 I353 M356 N357 I362 F364 L372 I373 | I291-F370 HydrophobicContact CD1-CE1 4.28Å; I291-F370 HydrophobicContact CG1-CE1 4.14Å; I291-F370 HydrophobicContact CG2-CD1 4.07Å; I291-F370 HydrophobicContact CG2-CE1 3.77Å; I353-F370 HydrophobicContact CG2-CB 4.48Å; M356-F370 HydrophobicContact CB-CD2 3.86Å; M356-F370 HydrophobicContact CB-CE2 3.91Å; M356-F370 HydrophobicContact CB-CG 4.4Å; M356-F370 HydrophobicContact CB-CZ 4.47Å; M356-F370 HydrophobicContact CE-CB 4.5Å; M356-F370 HydrophobicContact CE-CD1 3.57Å; M356-F370 HydrophobicContact CE-CD2 4.4Å; M356-F370 HydrophobicContact CE-CE1 3.76Å; M356-F370 HydrophobicContact CE-CG 3.92Å; M356-F370 HydrophobicContact CE-CZ 4.25Å; N357-F370 VanDerWaalsContact OD1-CD2 3.23Å; N357-F370 WeakPolarHBondContact OD1-CD2 3.21Å; N357-F370 WeakPolarHBondContact OD1-CE2 3.31Å; I362-F370 HydrophobicContact CD1-CE1 4.26Å; I362-F370 HydrophobicContact CD1-CE2 4.4Å; I362-F370 HydrophobicContact CD1-CZ 3.75Å; I362-F370 HydrophobicContact CG1-CZ 4.45Å; F364-F370 HydrophobicContact CB-CE1 3.82Å; F364-F370 HydrophobicContact CB-CE2 4.22Å; F364-F370 HydrophobicContact CB-CZ 3.6Å; F364-F370 HydrophobicContact CD1-CD1 4.35Å; F364-F370 HydrophobicContact CD1-CE1 4.32Å; F364-F370 HydrophobicContact CD2-CD1 4.04Å; F364-F370 AromaticContact CD2-CE1 3.56Å; F364-F370 HydrophobicContact CD2-CE1 3.56Å; F364-F370 HydrophobicContact CD2-CZ 4.25Å; F364-F370 HydrophobicContact CE2-CD1 4.31Å; F364-F370 HydrophobicContact CE2-CE1 4.23Å; F364-F370 HydrophobicContact CG-CD1 4.1Å; F364-F370 AromaticContact CG-CE1 3.66Å; F364-F370 HydrophobicContact CG-CE1 3.66Å; F364-F370 AromaticContact CG-CZ 3.96Å; F364-F370 HydrophobicContact CG-CZ 3.96Å; F370-L372 PolarHBondContact O-N 3.37Å; F370-I373 VanDerWaalsContact O-CG1 3.25Å; F370-I373 WeakPolarHBondContact O-CG1 3.12Å; F370-I373 PolarHBondContact O-N 3.5Å |
| 371 | V | 88.2 | Confident | 88.4 | Confident | 74 Ų | 74 | 50.5 Ų | 50.5 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -49.7 | -26.6 | 165.2 | 176.1 | 0 | 0 | 0 | 0 | 111.9 | I353 D369 I373 N374 | I353-V371 HydrophobicContact CD1-CG2 4.02Å; D369-V371 HydrophobicContact CB-CB 4.31Å; D369-V371 HydrophobicContact CB-CG2 4.38Å; D369-V371 PolarHBondContact O-N 3.21Å; D369-V371 VanDerWaalsContact O-N 3.12Å; D369-V371 PolarHBondContact OD1-N 2.96Å; D369-V371 WeakPolarHBondContact OD2-CG2 3.3Å; V371-I373 PolarHBondContact O-N 2.66Å; V371-I373 VanDerWaalsContact O-N 3.17Å; V371-N374 WeakPolarHBondContact O-CB 3.43Å; V371-N374 PolarHBondContact O-N 3.41Å |
| 372 | L | 90.9 | Very high | 88.9 | Confident | 47 Ų | 47 | 48.7 Ų | 48.7 | 25% | 0.246 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -53 | -33.2 | 175.1 | -174.7 | 66.9 | 0 | 0 | 0 | 113.8 | L277 L278 Y281 F364 V368 D369 F370 | L277-L372 HydrophobicContact CD2-CB 4.45Å; L277-L372 HydrophobicContact CD2-CD1 3.35Å; L277-L372 HydrophobicContact CD2-CD2 3.55Å; L277-L372 HydrophobicContact CD2-CG 3.15Å; L278-L372 HydrophobicContact CD2-CD2 4.31Å; Y281-L372 HydrophobicContact CD2-CD2 3.53Å; Y281-L372 HydrophobicContact CE2-CD1 4.06Å; Y281-L372 HydrophobicContact CE2-CD2 3.61Å; Y281-L372 HydrophobicContact CE2-CG 4.48Å; Y281-L372 HydrophobicContact CG-CD2 4.42Å; F364-L372 HydrophobicContact CZ-CD2 4.13Å; V368-L372 HydrophobicContact CG1-CD2 3.81Å; D369-L372 WeakPolarHBondContact O-CB 3.36Å; D369-L372 PolarHBondContact O-N 2.98Å; F370-L372 PolarHBondContact O-N 3.37Å |
| 373 | I | 94.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -106.3 | 23 | 177.2 | 58.1 | 164.7 | 0 | 0 | 0 | 112.9 | A274 L278 I291 A295 M356 F370 V371 S375 F376 I377 | A274-I373 HydrophobicContact CB-CG2 4.19Å; L278-I373 HydrophobicContact CD1-CG2 3.96Å; L278-I373 HydrophobicContact CD2-CG2 3.84Å; L278-I373 HydrophobicContact CG-CG2 3.71Å; I291-I373 HydrophobicContact CG2-CD1 4.06Å; A295-I373 HydrophobicContact CB-CD1 4.11Å; M356-I373 HydrophobicContact CE-CD1 4.3Å; F370-I373 VanDerWaalsContact O-CG1 3.25Å; F370-I373 WeakPolarHBondContact O-CG1 3.12Å; F370-I373 PolarHBondContact O-N 3.5Å; V371-I373 PolarHBondContact O-N 2.66Å; V371-I373 VanDerWaalsContact O-N 3.17Å; I373-S375 VanDerWaalsContact C-N 3.26Å; I373-S375 PolarHBondContact O-N 2.79Å; I373-F376 HydrophobicContact CB-CB 4.47Å; I373-F376 WeakPolarHBondContact O-CB 3.11Å; I373-F376 PolarHBondContact O-N 3.43Å; I373-I377 HydrophobicContact CD1-CD1 4.19Å; I373-I377 HydrophobicContact CD1-CG1 4.3Å; I373-I377 HydrophobicContact CG1-CD1 3.94Å; I373-I377 HydrophobicContact CG1-CG1 4.25Å; I373-I377 WeakPolarHBondContact O-CG1 3.45Å; I373-I377 PolarHBondContact O-N 3.23Å |
| 374 | N | 94.9 | Very high | 90.1 | Very high | 45 Ų | 45 | 44.8 Ų | 44.8 | 24% | 0.241 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.5 | -36.1 | -180 | 172.3 | 31.1 | 0 | 0 | 0 | 113.3 | V349 V371 F376 I377 R378 | V349-N374 WeakPolarHBondContact CG1-OD1 3.25Å; V371-N374 WeakPolarHBondContact O-CB 3.43Å; V371-N374 PolarHBondContact O-N 3.41Å; N374-F376 VanDerWaalsContact C-N 3.34Å; N374-F376 PolarHBondContact O-N 3.07Å; N374-I377 PolarHBondContact O-N 2.85Å; N374-R378 PolarHBondContact ND2-NH2 3.35Å; N374-R378 WeakPolarHBondContact O-CB 3.48Å; N374-R378 PolarHBondContact O-N 2.9Å; N374-R378 PolarHBondContact OD1-NH2 3.43Å |
| 375 | S | 95.9 | Very high | 91 | Very high | 81 Ų | 81 | 43.4 Ų | 43.4 | 57% | 0.566 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -59.1 | -46.5 | 175.6 | 52.4 | 0 | 0 | 0 | 0 | 111.7 | I373 E379 | I373-S375 VanDerWaalsContact C-N 3.26Å; I373-S375 PolarHBondContact O-N 2.79Å; S375-E379 PolarHBondContact O-N 3.35Å; S375-E379 VanDerWaalsContact O-N 3.13Å |
| 376 | F | 97.4 | Very high | 91.8 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.2 | -48 | 177.4 | 172.8 | -101.1 | 0 | 0 | 0 | 112 | E270 A274 I292 A295 T296 I373 N374 R378 E379 T380 W428 | E270-F376 HydrophobicContact CB-CD2 3.95Å; E270-F376 HydrophobicContact CB-CE2 4.44Å; A274-F376 HydrophobicContact CB-CB 4.03Å; A274-F376 HydrophobicContact CB-CD1 4.48Å; A274-F376 HydrophobicContact CB-CD2 4.26Å; A274-F376 HydrophobicContact CB-CG 3.99Å; I292-F376 HydrophobicContact CG2-CE1 3.85Å; I292-F376 HydrophobicContact CG2-CE2 4.43Å; I292-F376 HydrophobicContact CG2-CZ 3.7Å; A295-F376 HydrophobicContact CB-CD1 4.47Å; A295-F376 HydrophobicContact CB-CE1 4.11Å; T296-F376 WeakPolarHBondContact OG1-CZ 3.43Å; I373-F376 HydrophobicContact CB-CB 4.47Å; I373-F376 WeakPolarHBondContact O-CB 3.11Å; I373-F376 PolarHBondContact O-N 3.43Å; N374-F376 VanDerWaalsContact C-N 3.34Å; N374-F376 PolarHBondContact O-N 3.07Å; F376-R378 VanDerWaalsContact C-N 3.34Å; F376-R378 PolarHBondContact O-N 3.33Å; F376-E379 PolarHBondContact O-N 3.26Å; F376-T380 WeakPolarHBondContact O-CB 3.35Å; F376-T380 PolarHBondContact O-N 3.42Å; F376-T380 PolarHBondContact O-OG1 3.14Å; F376-W428 HydrophobicContact CE2-CH2 4.37Å; F376-W428 HydrophobicContact CE2-CZ3 4.33Å; F376-W428 HydrophobicContact CZ-CH2 4.25Å; F376-W428 HydrophobicContact CZ-CZ3 4Å |
| 377 | I | 97.6 | Very high | 93 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.2 | -46.8 | 179.4 | -63 | 170.9 | 0 | 0 | 0 | 110.2 | A295 V349 V352 I353 M356 I373 N374 E379 T380 C381 | A295-I377 HydrophobicContact CB-CG1 4.27Å; V349-I377 HydrophobicContact CB-CG2 4.42Å; V349-I377 HydrophobicContact CG1-CG2 4.3Å; V349-I377 HydrophobicContact CG2-CG2 4.08Å; V352-I377 HydrophobicContact CB-CG2 3.89Å; V352-I377 HydrophobicContact CG1-CD1 4.27Å; V352-I377 HydrophobicContact CG1-CG1 4.47Å; V352-I377 HydrophobicContact CG1-CG2 3.69Å; V352-I377 HydrophobicContact CG2-CG2 4.22Å; I353-I377 HydrophobicContact CG1-CD1 4.07Å; M356-I377 HydrophobicContact SD-CD1 4.16Å; I373-I377 HydrophobicContact CD1-CD1 4.19Å; I373-I377 HydrophobicContact CD1-CG1 4.3Å; I373-I377 HydrophobicContact CG1-CD1 3.94Å; I373-I377 HydrophobicContact CG1-CG1 4.25Å; I373-I377 WeakPolarHBondContact O-CG1 3.45Å; I373-I377 PolarHBondContact O-N 3.23Å; N374-I377 PolarHBondContact O-N 2.85Å; I377-E379 PolarHBondContact O-N 3.37Å; I377-T380 PolarHBondContact O-N 2.85Å; I377-C381 WeakPolarHBondContact O-CB 3.28Å; I377-C381 PolarHBondContact O-N 2.71Å; I377-C381 PolarHBondContact O-SG 3.21Å; I377-C381 VanDerWaalsContact O-SG 3.39Å |
| 378 | R | 97.3 | Very high | 94.1 | Very high | 57 Ų | 57 | 29.6 Ų | 29.6 | 22% | 0.215 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58 | -48 | 179.6 | 178.1 | -169.7 | -58.7 | -89.1 | -18.6 | 112.3 | V345 Q346 V349 N374 F376 T380 C381 R382 | V345-R378 HydrophobicContact CG1-CB 4.37Å; V345-R378 HydrophobicContact CG1-CG 3.68Å; Q346-R378 VanDerWaalsContact CD-NH1 3.28Å; V349-R378 HydrophobicContact CG2-CB 4.01Å; N374-R378 PolarHBondContact ND2-NH2 3.35Å; N374-R378 WeakPolarHBondContact O-CB 3.48Å; N374-R378 PolarHBondContact O-N 2.9Å; N374-R378 PolarHBondContact OD1-NH2 3.43Å; F376-R378 VanDerWaalsContact C-N 3.34Å; F376-R378 PolarHBondContact O-N 3.33Å; R378-T380 VanDerWaalsContact C-N 3.34Å; R378-C381 PolarHBondContact O-N 2.61Å; R378-R382 WeakPolarHBondContact O-CG 3.26Å; R378-R382 PolarHBondContact O-N 3.27Å; R378-R382 VanDerWaalsContact O-N 3.1Å |
| 379 | E | 97.5 | Very high | 94.9 | Very high | 45 Ų | 45 | 28 Ų | 28 | 21% | 0.21 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.5 | -39.5 | -179.5 | -168.3 | 60.8 | -166.4 | 0 | 0 | 111.2 | R262 L266 S375 F376 I377 C381 R382 V383 | R262-E379 IonicContact NH2-OE1 3.92Å; R262-E379 PolarHBondContact NH2-OE1 2.91Å; L266-E379 HydrophobicContact CD2-CB 4.28Å; L266-E379 HydrophobicContact CD2-CG 3.87Å; S375-E379 PolarHBondContact O-N 3.35Å; S375-E379 VanDerWaalsContact O-N 3.13Å; F376-E379 PolarHBondContact O-N 3.26Å; I377-E379 PolarHBondContact O-N 3.37Å; E379-C381 PolarHBondContact O-N 2.88Å; E379-R382 PolarHBondContact O-N 3.4Å; E379-R382 IonicContact OE2-CZ 3.86Å; E379-R382 IonicContact OE2-NH1 3.07Å; E379-R382 PolarHBondContact OE2-NH1 3.38Å; E379-V383 WeakPolarHBondContact O-CG2 3.4Å; E379-V383 PolarHBondContact O-N 2.87Å |
| 380 | T | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.5 | -44.4 | 174.9 | -53.2 | 0 | 0 | 0 | 0 | 111.8 | T296 A299 F300 F376 I377 R378 R382 V383 A384 | T296-T380 HydrophobicContact CG2-CG2 3.99Å; A299-T380 HydrophobicContact CB-CG2 3.67Å; F300-T380 HydrophobicContact CD2-CG2 4.22Å; F300-T380 HydrophobicContact CE2-CG2 4.11Å; F376-T380 WeakPolarHBondContact O-CB 3.35Å; F376-T380 PolarHBondContact O-N 3.42Å; F376-T380 PolarHBondContact O-OG1 3.14Å; I377-T380 PolarHBondContact O-N 2.85Å; R378-T380 VanDerWaalsContact C-N 3.34Å; T380-R382 VanDerWaalsContact C-N 3.35Å; T380-R382 PolarHBondContact O-N 3.25Å; T380-V383 PolarHBondContact O-N 3.39Å; T380-A384 WeakPolarHBondContact O-CB 3.39Å; T380-A384 PolarHBondContact O-N 3.04Å |
| 381 | C | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.8 | -42.2 | 175.4 | -75.7 | 0 | 0 | 0 | 0 | 112.3 | V345 I377 R378 E379 A384 F385 | V345-C381 HydrophobicContact CG1-CB 4.13Å; I377-C381 WeakPolarHBondContact O-CB 3.28Å; I377-C381 PolarHBondContact O-N 2.71Å; I377-C381 PolarHBondContact O-SG 3.21Å; I377-C381 VanDerWaalsContact O-SG 3.39Å; R378-C381 PolarHBondContact O-N 2.61Å; E379-C381 PolarHBondContact O-N 2.88Å; C381-A384 PolarHBondContact O-N 2.66Å; C381-F385 VanDerWaalsContact O-CB 3.28Å; C381-F385 WeakPolarHBondContact O-CB 3.12Å; C381-F385 PolarHBondContact O-N 3.47Å |
| 382 | R | 96.8 | Very high | 95.5 | Very high | 109 Ų | 109 | 27.7 Ų | 27.7 | 41% | 0.411 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -62 | -48.2 | 177.3 | -73 | 175.4 | -175.6 | 142 | -7.3 | 112 | V345 R378 E379 T380 F385 A386 | V345-R382 HydrophobicContact CG1-CG 4.11Å; V345-R382 HydrophobicContact CG2-CG 3.64Å; R378-R382 WeakPolarHBondContact O-CG 3.26Å; R378-R382 PolarHBondContact O-N 3.27Å; R378-R382 VanDerWaalsContact O-N 3.1Å; E379-R382 PolarHBondContact O-N 3.4Å; E379-R382 IonicContact OE2-CZ 3.86Å; E379-R382 IonicContact OE2-NH1 3.07Å; E379-R382 PolarHBondContact OE2-NH1 3.38Å; T380-R382 VanDerWaalsContact C-N 3.35Å; T380-R382 PolarHBondContact O-N 3.25Å; R382-F385 PolarHBondContact O-N 2.9Å; R382-A386 WeakPolarHBondContact O-CB 3.14Å; R382-A386 PolarHBondContact O-N 3.36Å |
| 383 | V | 97.3 | Very high | 95.6 | Very high | 6 Ų | 6 | 28.7 Ų | 28.7 | 4% | 0.036 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.4 | -47.5 | 179 | 173.5 | 0 | 0 | 0 | 0 | 110 | L259 R262 L266 E379 T380 F385 A386 M387 | L259-V383 HydrophobicContact CD2-CG1 4.43Å; R262-V383 HydrophobicContact CB-CG2 4.35Å; L266-V383 HydrophobicContact CD1-CB 4.01Å; L266-V383 HydrophobicContact CD1-CG1 4.12Å; L266-V383 HydrophobicContact CD1-CG2 3.99Å; E379-V383 WeakPolarHBondContact O-CG2 3.4Å; E379-V383 PolarHBondContact O-N 2.87Å; T380-V383 PolarHBondContact O-N 3.39Å; V383-F385 VanDerWaalsContact C-N 3.35Å; V383-F385 PolarHBondContact O-N 3.32Å; V383-A386 PolarHBondContact O-N 3.09Å; V383-M387 HydrophobicContact CG1-CE 3.76Å; V383-M387 HydrophobicContact CG1-SD 4.16Å; V383-M387 VanDerWaalsContact O-CG 3.31Å; V383-M387 WeakPolarHBondContact O-CG 3.32Å; V383-M387 PolarHBondContact O-N 2.89Å |
| 384 | A | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.9 | -41.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F300 A303 T380 C381 M387 Q388 | F300-A384 HydrophobicContact CB-CB 4.39Å; F300-A384 HydrophobicContact CD1-CB 3.92Å; F300-A384 HydrophobicContact CD2-CB 3.66Å; F300-A384 HydrophobicContact CE1-CB 4.08Å; F300-A384 HydrophobicContact CE2-CB 3.83Å; F300-A384 HydrophobicContact CG-CB 3.72Å; F300-A384 HydrophobicContact CZ-CB 4.04Å; A303-A384 HydrophobicContact CB-CB 3.62Å; T380-A384 WeakPolarHBondContact O-CB 3.39Å; T380-A384 PolarHBondContact O-N 3.04Å; C381-A384 PolarHBondContact O-N 2.66Å; A384-M387 WeakPolarHBondContact O-CB 3.46Å; A384-M387 PolarHBondContact O-N 3.33Å; A384-Q388 WeakPolarHBondContact O-CG 3.46Å; A384-Q388 PolarHBondContact O-N 2.92Å |
| 385 | F | 97.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64 | -47.4 | 176.9 | -176.1 | -87.9 | 0 | 0 | 0 | 110.9 | A303 A306 Y307 F310 L340 Y343 C381 R382 V383 M387 Q388 T389 | A303-F385 HydrophobicContact CB-CB 4.1Å; A306-F385 HydrophobicContact CB-CD2 4.33Å; A306-F385 HydrophobicContact CB-CE2 4.34Å; Y307-F385 HydrophobicContact CD2-CE2 4.46Å; Y307-F385 HydrophobicContact CD2-CZ 4.3Å; F310-F385 HydrophobicContact CB-CZ 4.43Å; F310-F385 AromaticContact CD1-CZ 3.85Å; F310-F385 HydrophobicContact CD1-CZ 3.85Å; F310-F385 HydrophobicContact CG-CZ 4.4Å; L340-F385 HydrophobicContact CD2-CD1 4.25Å; L340-F385 HydrophobicContact CD2-CE1 4.04Å; Y343-F385 HydrophobicContact CD1-CB 3.64Å; Y343-F385 AromaticContact CD1-CD1 3.79Å; Y343-F385 HydrophobicContact CD1-CD1 3.79Å; Y343-F385 AromaticContact CD1-CD2 3.96Å; Y343-F385 HydrophobicContact CD1-CD2 3.96Å; Y343-F385 HydrophobicContact CD1-CE1 4.43Å; Y343-F385 AromaticContact CD1-CG 3.52Å; Y343-F385 HydrophobicContact CD1-CG 3.52Å; Y343-F385 HydrophobicContact CD2-CD1 4.4Å; Y343-F385 AromaticContact CD2-CD2 3.5Å; Y343-F385 HydrophobicContact CD2-CD2 3.5Å; Y343-F385 HydrophobicContact CD2-CE1 4.46Å; Y343-F385 AromaticContact CD2-CE2 3.54Å; Y343-F385 HydrophobicContact CD2-CE2 3.54Å; Y343-F385 AromaticContact CD2-CG 3.95Å; Y343-F385 HydrophobicContact CD2-CG 3.95Å; Y343-F385 HydrophobicContact CD2-CZ 4.04Å; Y343-F385 HydrophobicContact CE1-CB 3.37Å; Y343-F385 HydrophobicContact CE1-CD1 4.39Å; Y343-F385 AromaticContact CE1-CD2 3.98Å; Y343-F385 HydrophobicContact CE1-CD2 3.98Å; Y343-F385 AromaticContact CE1-CG 3.68Å; Y343-F385 HydrophobicContact CE1-CG 3.68Å; Y343-F385 HydrophobicContact CE2-CB 4.48Å; Y343-F385 AromaticContact CE2-CD2 3.56Å; Y343-F385 HydrophobicContact CE2-CD2 3.56Å; Y343-F385 AromaticContact CE2-CE2 3.97Å; Y343-F385 HydrophobicContact CE2-CE2 3.97Å; Y343-F385 HydrophobicContact CE2-CG 4.13Å; Y343-F385 HydrophobicContact CG-CB 4.3Å; Y343-F385 AromaticContact CG-CD1 3.81Å; Y343-F385 HydrophobicContact CG-CD1 3.81Å; Y343-F385 AromaticContact CG-CD2 3.74Å; Y343-F385 HydrophobicContact CG-CD2 3.74Å; Y343-F385 AromaticContact CG-CE1 3.99Å; Y343-F385 HydrophobicContact CG-CE1 3.99Å; Y343-F385 AromaticContact CG-CE2 3.9Å; Y343-F385 HydrophobicContact CG-CE2 3.9Å; Y343-F385 AromaticContact CG-CG 3.68Å; Y343-F385 HydrophobicContact CG-CG 3.68Å; Y343-F385 HydrophobicContact CG-CZ 4.03Å; Y343-F385 AromaticContact CZ-CD2 3.8Å; Y343-F385 AromaticContact CZ-CG 3.99Å; C381-F385 VanDerWaalsContact O-CB 3.28Å; C381-F385 WeakPolarHBondContact O-CB 3.12Å; C381-F385 PolarHBondContact O-N 3.47Å; R382-F385 PolarHBondContact O-N 2.9Å; V383-F385 VanDerWaalsContact C-N 3.35Å; V383-F385 PolarHBondContact O-N 3.32Å; F385-M387 VanDerWaalsContact C-N 3.25Å; F385-M387 PolarHBondContact O-N 3.48Å; F385-Q388 WeakPolarHBondContact O-CB 3.32Å; F385-Q388 PolarHBondContact O-N 2.87Å; F385-T389 HydrophobicContact CD1-CG2 4.43Å; F385-T389 HydrophobicContact CE1-CG2 4.21Å |
| 386 | A | 95.9 | Very high | 95.7 | Very high | 15 Ų | 15 | 25.7 Ų | 25.7 | 12% | 0.124 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.8 | -35 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L259 R382 V383 Q388 T389 | L259-A386 HydrophobicContact CD1-CB 4.17Å; L259-A386 HydrophobicContact CD2-CB 3.66Å; R382-A386 WeakPolarHBondContact O-CB 3.14Å; R382-A386 PolarHBondContact O-N 3.36Å; V383-A386 PolarHBondContact O-N 3.09Å; A386-Q388 VanDerWaalsContact C-N 3.31Å; A386-Q388 PolarHBondContact O-N 2.63Å; A386-T389 PolarHBondContact O-N 3.36Å; A386-T389 VanDerWaalsContact O-N 3.14Å; A386-T389 PolarHBondContact O-OG1 2.71Å |
| 387 | M | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.3 | -31.7 | 173.7 | -77.2 | 176.6 | 170 | 0 | 0 | 113.9 | L259 F263 F300 V383 A384 F385 T389 L394 L431 | L259-M387 HydrophobicContact CB-CE 4.27Å; L259-M387 HydrophobicContact CB-CG 4.11Å; L259-M387 HydrophobicContact CD1-CG 4.21Å; L259-M387 HydrophobicContact CD2-CG 4.45Å; L259-M387 HydrophobicContact CG-CG 4.49Å; L259-M387 WeakPolarHBondContact O-CE 3.32Å; F263-M387 HydrophobicContact CB-CE 3.58Å; F263-M387 HydrophobicContact CD2-CE 4.06Å; F263-M387 HydrophobicContact CG-CE 4.04Å; F300-M387 HydrophobicContact CE1-SD 3.6Å; F300-M387 HydrophobicContact CZ-SD 3.6Å; F300-M387 VanDerWaalsContact CZ-SD 3.6Å; V383-M387 HydrophobicContact CG1-CE 3.76Å; V383-M387 HydrophobicContact CG1-SD 4.16Å; V383-M387 VanDerWaalsContact O-CG 3.31Å; V383-M387 WeakPolarHBondContact O-CG 3.32Å; V383-M387 PolarHBondContact O-N 2.89Å; A384-M387 WeakPolarHBondContact O-CB 3.46Å; A384-M387 PolarHBondContact O-N 3.33Å; F385-M387 VanDerWaalsContact C-N 3.25Å; F385-M387 PolarHBondContact O-N 3.48Å; M387-T389 PolarHBondContact O-N 3.22Å; M387-L394 HydrophobicContact CB-CB 4.05Å; M387-L394 HydrophobicContact CE-CD1 4.36Å; M387-L394 HydrophobicContact CG-CB 4.08Å; M387-L394 HydrophobicContact CG-CD1 4.24Å; M387-L394 PolarHBondContact O-N 3.43Å; M387-L394 HydrophobicContact SD-CB 4.08Å; M387-L431 HydrophobicContact CE-CD1 4.06Å; M387-L431 HydrophobicContact CE-CD2 3.91Å; M387-L431 HydrophobicContact SD-CD1 4.01Å |
| 388 | Q | 96 | Very high | 95 | Very high | 13 Ų | 13 | 34 Ų | 34 | 6% | 0.061 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -72.6 | -14.1 | 175.6 | -58.3 | -53.9 | -65.3 | 0 | 0 | 113.3 | K304 Y307 A384 F385 A386 L394 | K304-Q388 HydrophobicContact CB-CG 4.36Å; K304-Q388 VanDerWaalsContact CE-OE1 3.23Å; Y307-Q388 HydrophobicContact CD1-CB 3.68Å; Y307-Q388 HydrophobicContact CD2-CB 4.27Å; Y307-Q388 HydrophobicContact CE1-CB 4.29Å; Y307-Q388 WeakPolarHBondContact CE1-O 3.45Å; Y307-Q388 HydrophobicContact CG-CB 3.65Å; A384-Q388 WeakPolarHBondContact O-CG 3.46Å; A384-Q388 PolarHBondContact O-N 2.92Å; F385-Q388 WeakPolarHBondContact O-CB 3.32Å; F385-Q388 PolarHBondContact O-N 2.87Å; A386-Q388 VanDerWaalsContact C-N 3.31Å; A386-Q388 PolarHBondContact O-N 2.63Å; Q388-L394 PolarHBondContact NE2-O 3.19Å |
| 389 | T | 93.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 9.4 | -179.5 | 69.1 | 0 | 0 | 0 | 0 | 113.6 | R255 Y307 I336 L340 F385 A386 M387 | R255-T389 PolarHBondContact NH1-O 3.45Å; R255-T389 PolarHBondContact NH2-OG1 3.28Å; Y307-T389 HydrophobicContact CD2-CG2 3.76Å; Y307-T389 HydrophobicContact CE2-CG2 3.62Å; I336-T389 HydrophobicContact CG2-CG2 3.69Å; L340-T389 HydrophobicContact CD2-CG2 3.84Å; F385-T389 HydrophobicContact CD1-CG2 4.43Å; F385-T389 HydrophobicContact CE1-CG2 4.21Å; A386-T389 PolarHBondContact O-N 3.36Å; A386-T389 VanDerWaalsContact O-N 3.14Å; A386-T389 PolarHBondContact O-OG1 2.71Å; M387-T389 PolarHBondContact O-N 3.22Å |
| 390 | L | 93.6 | Very high | 93.5 | Very high | 9 Ų | 9 | 32.5 Ų | 32.5 | 5% | 0.047 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -82.6 | 155.1 | 171 | -63.9 | 171.8 | 0 | 0 | 0 | 109.9 | N252 R255 H256 L259 S392 L394 | N252-L390 WeakPolarHBondContact OD1-CD2 3.49Å; R255-L390 HydrophobicContact CB-CD2 3.97Å; H256-L390 HydrophobicContact CB-CD1 4.34Å; H256-L390 HydrophobicContact CB-CD2 4.2Å; L259-L390 HydrophobicContact CD1-CD1 3.9Å; L259-L390 HydrophobicContact CD1-CD2 3.98Å; L259-L390 HydrophobicContact CD1-CG 4.02Å; L390-S392 VanDerWaalsContact C-N 3.25Å; L390-S392 WeakPolarHBondContact CB-O 3.42Å; L390-S392 PolarHBondContact O-N 2.87Å; L390-L394 HydrophobicContact CD1-CD1 3.67Å; L390-L394 HydrophobicContact CD1-CG 3.87Å |
| 391 | D | 88.1 | Confident | 92.3 | Very high | 85 Ų | 85 | 35.1 Ų | 35.1 | 46% | 0.455 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -60.3 | -41.6 | 178.7 | -58.7 | -20.8 | 0 | 0 | 0 | 110.8 | N252 | N252-D391 VanDerWaalsContact ND2-CB 3.31Å; N252-D391 WeakPolarHBondContact ND2-CB 3.39Å; N252-D391 PolarHBondContact ND2-OD2 3.47Å |
| 392 | S | 91.3 | Very high | 91.1 | Very high | 60 Ų | 60 | 36 Ų | 36 | 42% | 0.42 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -104.5 | 107.5 | 166.1 | -70 | 0 | 0 | 0 | 0 | 108.8 | L390 L394 E433 | L390-S392 VanDerWaalsContact C-N 3.25Å; L390-S392 WeakPolarHBondContact CB-O 3.42Å; L390-S392 PolarHBondContact O-N 2.87Å; S392-L394 PolarHBondContact O-N 3.3Å; S392-E433 WeakPolarHBondContact CB-OE1 3.31Å |
| 393 | P | 92.8 | Very high | 90.7 | Very high | 68 Ų | 68 | 32.1 Ų | 32.1 | 44% | 0.442 | 20% | 0.196 | S | C | . | . | trans | -71.1 | 133.2 | -174.9 | 27.2 | -33.3 | 0 | 0 | 0 | 110.9 | ||||
| 394 | L | 95.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 137.4 | 172.6 | -62.7 | 171.6 | 0 | 0 | 0 | 110 | V260 M387 Q388 L390 S392 L431 E433 I438 | V260-L394 HydrophobicContact CG2-CD1 3.78Å; M387-L394 HydrophobicContact CB-CB 4.05Å; M387-L394 HydrophobicContact CE-CD1 4.36Å; M387-L394 HydrophobicContact CG-CB 4.08Å; M387-L394 HydrophobicContact CG-CD1 4.24Å; M387-L394 PolarHBondContact O-N 3.43Å; M387-L394 HydrophobicContact SD-CB 4.08Å; Q388-L394 PolarHBondContact NE2-O 3.19Å; L390-L394 HydrophobicContact CD1-CD1 3.67Å; L390-L394 HydrophobicContact CD1-CG 3.87Å; S392-L394 PolarHBondContact O-N 3.3Å; L394-L431 HydrophobicContact CB-CD1 4.2Å; L394-L431 HydrophobicContact CB-CG 4.43Å; L394-L431 HydrophobicContact CD1-CD2 4.22Å; L394-E433 HydrophobicContact CD2-CB 3.71Å; L394-E433 HydrophobicContact CD2-CG 4.03Å; L394-I438 HydrophobicContact CD2-CG1 4.21Å |
| 395 | D | 95.1 | Very high | 89.9 | Confident | 45 Ų | 45 | 39.8 Ų | 39.8 | 24% | 0.241 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 173 | -178.4 | -163.8 | 23.5 | 0 | 0 | 0 | 111.7 | K304 V432 | K304-D395 IonicContact NZ-OD1 2.93Å; K304-D395 PolarHBondContact NZ-OD1 2.96Å; K304-D395 IonicContact NZ-OD2 2.63Å; K304-D395 PolarHBondContact NZ-OD2 3.2Å; D395-V432 PolarHBondContact N-O 3.25Å; D395-V432 WeakPolarHBondContact O-CG2 3.45Å; D395-V432 PolarHBondContact O-N 3.43Å |
| 396 | L | 95.8 | Very high | 89.6 | Confident | 19 Ų | 19 | 41.6 Ų | 41.6 | 10% | 0.099 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 142.5 | 176.2 | -55.3 | -178.4 | 0 | 0 | 0 | 111.3 | F263 T296 V297 F300 F398 P429 A430 L431 | F263-L396 HydrophobicContact CE2-CD2 3.96Å; F263-L396 HydrophobicContact CZ-CD2 3.96Å; T296-L396 HydrophobicContact CG2-CD1 4.47Å; V297-L396 HydrophobicContact CB-CD1 4.42Å; V297-L396 HydrophobicContact CG2-CD1 4.02Å; F300-L396 HydrophobicContact CB-CD1 3.74Å; F300-L396 HydrophobicContact CB-CG 4.03Å; F300-L396 HydrophobicContact CD1-CD1 4.19Å; F300-L396 HydrophobicContact CD1-CD2 3.96Å; F300-L396 HydrophobicContact CD1-CG 3.63Å; F300-L396 HydrophobicContact CD2-CD1 3.73Å; F300-L396 HydrophobicContact CD2-CD2 4.14Å; F300-L396 HydrophobicContact CD2-CG 3.99Å; F300-L396 HydrophobicContact CE1-CD2 3.79Å; F300-L396 HydrophobicContact CE1-CG 4.01Å; F300-L396 HydrophobicContact CE2-CD1 4.36Å; F300-L396 HydrophobicContact CE2-CD2 3.98Å; F300-L396 HydrophobicContact CE2-CG 4.34Å; F300-L396 HydrophobicContact CG-CD1 3.62Å; F300-L396 HydrophobicContact CG-CD2 4.12Å; F300-L396 HydrophobicContact CG-CG 3.61Å; F300-L396 HydrophobicContact CZ-CD2 3.79Å; F300-L396 HydrophobicContact CZ-CG 4.35Å; L396-F398 PolarHBondContact O-N 3.06Å; L396-P429 HydrophobicContact CB-CB 4.25Å; L396-P429 HydrophobicContact CD1-CB 3.92Å; L396-P429 HydrophobicContact CD1-CG 3.8Å; L396-P429 HydrophobicContact CD2-CB 3.92Å; L396-P429 HydrophobicContact CD2-CG 3.79Å; L396-P429 HydrophobicContact CG-CB 4.24Å; L396-P429 HydrophobicContact CG-CG 4.33Å; L396-A430 CarbonylContact C-O 3.59Å; L396-A430 WeakPolarHBondContact CA-O 3.33Å; L396-L431 HydrophobicContact CD2-CD1 4.22Å |
| 397 | A | 92.6 | Very high | 89.4 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 7% | 0.066 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 137.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | T399 A430 V432 | A397-T399 PolarHBondContact O-N 2.81Å; A397-A430 HydrophobicContact CB-CB 3.91Å; A397-A430 PolarHBondContact N-O 2.95Å; A397-V432 HydrophobicContact CB-CG1 3.84Å |
| 398 | F | 87.7 | Confident | 89.2 | Confident | 170 Ų | 170 | 50.8 Ų | 50.8 | 75% | 0.746 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 125.9 | 173.5 | -178.7 | -98 | 0 | 0 | 0 | 110.7 | L396 | L396-F398 PolarHBondContact O-N 3.06Š|
| 399 | T | 85.8 | Confident | 89 | Confident | 21 Ų | 21 | 53.8 Ų | 53.8 | 13% | 0.129 | 31% | 0.307 | C | S | . | . | trans | -117.1 | 127.1 | 179.4 | 50.9 | 0 | 0 | 0 | 0 | 111.4 | F293 A397 Y410 | F293-T399 HydrophobicContact CE2-CG2 4.42Å; F293-T399 HydrophobicContact CZ-CG2 3.87Å; A397-T399 PolarHBondContact O-N 2.81Å; T399-Y410 WeakPolarHBondContact CG2-OH 3.39Å | ||
| 400 | S | 78.4 | Confident | 89 | Confident | 50 Ų | 50 | 53.8 Ų | 53.8 | 35% | 0.35 | 31% | 0.307 | S | S | . | . | trans | -111.3 | 149.8 | 170.3 | 62.3 | 0 | 0 | 0 | 0 | 111.5 | G402 E403 | S400-G402 PolarHBondContact O-N 3.42Å; S400-E403 PolarHBondContact N-OE2 2.99Å; S400-E403 PolarHBondContact O-N 3.4Å; S400-E403 WeakPolarHBondContact OG-CB 3.43Å; S400-E403 PolarHBondContact OG-OE2 2.91Å | ||
| 401 | G | 73.1 | Confident | 89.1 | Confident | 54 Ų | 54 | 59.9 Ų | 59.9 | 56% | 0.557 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 126.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 402 | G | 72.8 | Confident | 89.3 | Confident | 19 Ų | 19 | 58.3 Ų | 58.3 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 25.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S400 L422 V423 | S400-G402 PolarHBondContact O-N 3.42Å; G402-L422 WeakPolarHBondContact O-CD2 3.37Å; G402-V423 WeakPolarHBondContact CA-O 3.46Å |
| 403 | E | 87.5 | Confident | 89.3 | Confident | 28 Ų | 28 | 55.6 Ų | 55.6 | 13% | 0.131 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 158.2 | 175.4 | 69 | -173.2 | -166.6 | 0 | 0 | 113.1 | S400 Y410 V423 H426 | S400-E403 PolarHBondContact N-OE2 2.99Å; S400-E403 PolarHBondContact O-N 3.4Å; S400-E403 WeakPolarHBondContact OG-CB 3.43Å; S400-E403 PolarHBondContact OG-OE2 2.91Å; E403-Y410 VanDerWaalsContact OE1-CE2 3.31Å; E403-Y410 WeakPolarHBondContact OE1-CE2 3.15Å; E403-Y410 PolarHBondContact OE1-OH 3.48Å; E403-V423 HydrophobicContact CG-CB 4.31Å; E403-V423 HydrophobicContact CG-CG2 4.2Å; E403-V423 PolarHBondContact O-N 3.19Å; E403-H426 IonicContact OE1-CE1 3.98Å; E403-H426 PolarHBondContact OE1-CE1 3.07Å; E403-H426 IonicContact OE1-NE2 3.78Å; E403-H426 PolarHBondContact OE1-NE2 3.44Å |
| 404 | L | 88.3 | Confident | 89 | Confident | 128 Ų | 128 | 61.6 Ų | 61.6 | 67% | 0.67 | 31% | 0.313 | S | S | * | . | B | Isolated β-bridge | trans | -66.6 | 133.7 | 172.2 | -70.9 | 170.3 | 0 | 0 | 0 | 109.7 | S406 P421 L422 | L404-S406 PolarHBondContact O-N 3.14Å; L404-P421 WeakPolarHBondContact CA-O 3.33Å; L404-P421 HydrophobicContact CD2-CB 4.22Å; L404-L422 HydrophobicContact CD2-CD2 3.87Å; L404-L422 HydrophobicContact CG-CD2 4.49Å |
| 405 | Y | 90.9 | Very high | 88.6 | Confident | 38 Ų | 38 | 63.9 Ų | 63.9 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 126.4 | 175.6 | 174.6 | -92.1 | 0 | 0 | 0 | 110.3 | D407 Y410 R412 P421 V423 T445 | Y405-D407 HydrophobicContact CE1-CB 3.88Å; Y405-D407 PolarHBondContact OH-OD1 3.25Å; Y405-Y410 PolarHBondContact OH-O 3.08Å; Y405-R412 HydrophobicContact CD2-CG 4.1Å; Y405-R412 HydrophobicContact CE1-CG 4.28Å; Y405-R412 HydrophobicContact CE2-CG 3.38Å; Y405-R412 VanDerWaalsContact CZ-CG 3.5Å; Y405-P421 PolarHBondContact N-O 2.92Å; Y405-V423 HydrophobicContact CD2-CG2 4.45Å; Y405-T445 HydrophobicContact CD2-CG2 3.78Å; Y405-T445 HydrophobicContact CG-CG2 4.13Å |
| 406 | S | 91 | Very high | 88.4 | Confident | 42 Ų | 42 | 62.2 Ų | 62.2 | 29% | 0.294 | 32% | 0.317 | S | S | . | . | trans | -113.5 | 117.3 | 174.1 | -179.2 | 0 | 0 | 0 | 0 | 109.8 | L404 N408 K409 Y410 | L404-S406 PolarHBondContact O-N 3.14Å; S406-N408 PolarHBondContact O-N 2.86Å; S406-K409 PolarHBondContact O-N 3.38Å; S406-K409 VanDerWaalsContact O-N 3.15Å; S406-Y410 PolarHBondContact O-N 3.07Å | ||
| 407 | D | 90.4 | Very high | 88.1 | Confident | 101 Ų | 101 | 64.7 Ų | 64.7 | 54% | 0.54 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -21.9 | -179.4 | -160.6 | 64.1 | 0 | 0 | 0 | 113.2 | Y405 K440 | Y405-D407 HydrophobicContact CE1-CB 3.88Å; Y405-D407 PolarHBondContact OH-OD1 3.25Å; D407-K440 WeakPolarHBondContact O-CE 3.47Å; D407-K440 PolarHBondContact O-NZ 3.09Å |
| 408 | N | 92.7 | Very high | 87.8 | Confident | 107 Ų | 107 | 70.9 Ų | 70.9 | 57% | 0.572 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -37.3 | 174.1 | -168.2 | 27.9 | 0 | 0 | 0 | 111.6 | S406 K440 | S406-N408 PolarHBondContact O-N 2.86Å; N408-K440 WeakPolarHBondContact O-CE 3.45Å |
| 409 | K | 92.3 | Very high | 87.8 | Confident | 77 Ų | 77 | 67.5 Ų | 67.5 | 34% | 0.335 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -36.2 | -173.8 | -65.5 | -176.1 | 179.3 | -176.5 | 0 | 113.2 | S406 A430 V437 K440 G441 | S406-K409 PolarHBondContact O-N 3.38Å; S406-K409 VanDerWaalsContact O-N 3.15Å; K409-A430 HydrophobicContact CB-CB 4.43Å; K409-A430 VanDerWaalsContact O-CB 3.23Å; K409-A430 WeakPolarHBondContact O-CB 3.32Å; K409-V437 HydrophobicContact CG-CG2 3.94Å; K409-K440 CarbonylContact O-C 3.58Å; K409-K440 VanDerWaalsContact O-CA 3.3Å; K409-K440 WeakPolarHBondContact O-CA 3.35Å; K409-G441 PolarHBondContact O-N 3.11Å |
| 410 | Y | 94.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 152.9 | -168.9 | -53.3 | -69.8 | 0 | 0 | 0 | 112.2 | T399 E403 Y405 S406 H426 A430 G441 A443 | T399-Y410 WeakPolarHBondContact CG2-OH 3.39Å; E403-Y410 VanDerWaalsContact OE1-CE2 3.31Å; E403-Y410 WeakPolarHBondContact OE1-CE2 3.15Å; E403-Y410 PolarHBondContact OE1-OH 3.48Å; Y405-Y410 PolarHBondContact OH-O 3.08Å; S406-Y410 PolarHBondContact O-N 3.07Å; Y410-H426 AromaticContact CE1-CD2 3.73Å; Y410-H426 AromaticContact CE2-NE2 4Å; Y410-H426 AromaticContact CZ-CD2 3.76Å; Y410-H426 AromaticContact CZ-NE2 3.75Å; Y410-A430 HydrophobicContact CD1-CB 4.35Å; Y410-A430 HydrophobicContact CE1-CB 3.9Å; Y410-G441 CarbonylContact C-O 3.59Å; Y410-G441 WeakPolarHBondContact CA-O 3.32Å; Y410-A443 HydrophobicContact CD1-CB 4.43Å; Y410-A443 HydrophobicContact CG-CB 4.11Å |
| 411 | R | 94.3 | Very high | 88.4 | Confident | 137 Ų | 137 | 67.7 Ų | 67.7 | 52% | 0.517 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 145.6 | 161.1 | -57.8 | -175.9 | -172.6 | 91.2 | -2.4 | 108.6 | K440 G441 E442 A443 | R411-K440 HydrophobicContact CG-CB 4.1Å; R411-K440 HydrophobicContact CG-CD 4.19Å; R411-K440 PolarHBondContact NH1-O 3.37Å; R411-G441 PolarHBondContact N-O 3.28Å; R411-E442 WeakPolarHBondContact O-CA 3.25Å; R411-A443 PolarHBondContact O-N 3.18Å |
| 412 | R | 92.8 | Very high | 89.2 | Confident | 53 Ų | 53 | 66.8 Ų | 66.8 | 20% | 0.2 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 130.7 | 172 | -67 | -173.5 | -175.6 | -122.5 | 3.1 | 110.2 | Y405 E417 F418 A420 A443 T445 | Y405-R412 HydrophobicContact CD2-CG 4.1Å; Y405-R412 HydrophobicContact CE1-CG 4.28Å; Y405-R412 HydrophobicContact CE2-CG 3.38Å; Y405-R412 VanDerWaalsContact CZ-CG 3.5Å; R412-E417 PolarHBondContact NH1-O 2.85Å; R412-E417 VanDerWaalsContact NH1-O 3.14Å; R412-F418 HydrophobicContact CB-CD1 4.45Å; R412-F418 HydrophobicContact CB-CE1 3.96Å; R412-F418 HydrophobicContact CB-CZ 4.46Å; R412-F418 PolarHBondContact NH1-O 3.44Å; R412-A420 PolarHBondContact NH1-O 2.93Å; R412-A420 PolarHBondContact NH2-O 2.89Å; R412-A420 VanDerWaalsContact NH2-O 3.15Å; R412-A443 WeakPolarHBondContact CA-O 3.38Å; R412-T445 VanDerWaalsContact NH1-CB 3.27Å; R412-T445 PolarHBondContact NH1-OG1 3.37Å |
| 413 | S | 90.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.014 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 157.4 | 167.2 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | D415 S416 E442 A443 | S413-D415 WeakPolarHBondContact CB-OD1 3.46Å; S413-D415 PolarHBondContact O-N 2.9Å; S413-S416 WeakPolarHBondContact O-CB 3.42Å; S413-S416 PolarHBondContact O-N 2.97Å; S413-S416 VanDerWaalsContact O-N 3.11Å; S413-S416 PolarHBondContact O-OG 2.87Å; S413-E442 VanDerWaalsContact CB-OE1 3.27Å; S413-E442 WeakPolarHBondContact CB-OE1 3.45Å; S413-E442 WeakPolarHBondContact OG-CG 3.2Å; S413-E442 PolarHBondContact OG-OE1 2.86Å; S413-A443 PolarHBondContact N-O 3.5Å |
| 414 | Y | 86.8 | Confident | 90.3 | Very high | 195 Ų | 195 | 65.7 Ų | 65.7 | 77% | 0.765 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -25.8 | -177.4 | 73 | -89.4 | 0 | 0 | 0 | 114 | S416 | Y414-S416 PolarHBondContact O-N 3.46Š|
| 415 | D | 86.5 | Confident | 90.4 | Very high | 47 Ų | 47 | 60 Ų | 60 | 25% | 0.251 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 6.8 | 179.8 | 70.1 | -38.9 | 0 | 0 | 0 | 113.1 | S413 Y425 V444 R446 | S413-D415 WeakPolarHBondContact CB-OD1 3.46Å; S413-D415 PolarHBondContact O-N 2.9Å; D415-Y425 PolarHBondContact OD2-OH 3.14Å; D415-V444 WeakPolarHBondContact OD1-CG2 3.45Å; D415-R446 IonicContact OD2-NH2 3.93Å |
| 416 | S | 90.9 | Very high | 90.6 | Very high | 10 Ų | 10 | 58.9 Ų | 58.9 | 7% | 0.07 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -75.5 | 143.3 | 177.1 | -76.8 | 0 | 0 | 0 | 0 | 113.6 | S413 Y414 F418 A443 V444 T445 | S413-S416 WeakPolarHBondContact O-CB 3.42Å; S413-S416 PolarHBondContact O-N 2.97Å; S413-S416 VanDerWaalsContact O-N 3.11Å; S413-S416 PolarHBondContact O-OG 2.87Å; Y414-S416 PolarHBondContact O-N 3.46Å; S416-F418 VanDerWaalsContact O-CD2 3.31Å; S416-F418 WeakPolarHBondContact O-CD2 3.44Å; S416-F418 PolarHBondContact O-N 2.92Å; S416-A443 PolarHBondContact OG-O 3.32Å; S416-V444 WeakPolarHBondContact OG-CA 3.45Å; S416-T445 WeakPolarHBondContact CA-O 3.33Å; S416-T445 WeakPolarHBondContact CB-OG1 3.32Å; S416-T445 PolarHBondContact OG-N 3.49Å; S416-T445 PolarHBondContact OG-OG1 2.96Å |
| 417 | E | 90 | Very high | 90.7 | Very high | 72 Ų | 72 | 57 Ų | 57 | 34% | 0.336 | 28% | 0.276 | S | S | . | . | trans | -77 | 99.3 | 158.6 | -68.6 | 179.5 | -139.2 | 0 | 0 | 109.7 | R412 T419 A420 T445 R447 | R412-E417 PolarHBondContact NH1-O 2.85Å; R412-E417 VanDerWaalsContact NH1-O 3.14Å; E417-T419 PolarHBondContact O-N 3.34Å; E417-A420 HydrophobicContact CB-CB 3.84Å; E417-A420 VanDerWaalsContact O-CB 3.25Å; E417-A420 WeakPolarHBondContact O-CB 3.44Å; E417-A420 PolarHBondContact O-N 3.11Å; E417-T445 PolarHBondContact N-O 3.4Å; E417-T445 PolarHBondContact O-OG1 2.97Å; E417-R447 PolarHBondContact OE1-N 3.37Å; E417-R447 WeakPolarHBondContact OE2-CB 3.24Å; E417-R447 VanDerWaalsContact OE2-CG 3.31Å; E417-R447 WeakPolarHBondContact OE2-CG 3.4Å; E417-R447 IonicContact OE2-CZ 3.84Å; E417-R447 PolarHBondContact OE2-N 3.45Å; E417-R447 VanDerWaalsContact OE2-N 3.16Å; E417-R447 IonicContact OE2-NE 3.91Å; E417-R447 PolarHBondContact OE2-NE 3.04Å; E417-R447 VanDerWaalsContact OE2-NE 3.14Å | ||
| 418 | F | 86.9 | Confident | 91 | Very high | 138 Ų | 138 | 52.3 Ų | 52.3 | 61% | 0.605 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -26.7 | -175.9 | -72.9 | -93.4 | 0 | 0 | 0 | 114.9 | R412 S416 | R412-F418 HydrophobicContact CB-CD1 4.45Å; R412-F418 HydrophobicContact CB-CE1 3.96Å; R412-F418 HydrophobicContact CB-CZ 4.46Å; R412-F418 PolarHBondContact NH1-O 3.44Å; S416-F418 VanDerWaalsContact O-CD2 3.31Å; S416-F418 WeakPolarHBondContact O-CD2 3.44Å; S416-F418 PolarHBondContact O-N 2.92Å |
| 419 | T | 87 | Confident | 91.2 | Very high | 98 Ų | 98 | 47.2 Ų | 47.2 | 60% | 0.601 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -7.2 | 175.9 | 58.4 | 0 | 0 | 0 | 0 | 113.9 | E417 R447 | E417-T419 PolarHBondContact O-N 3.34Å; T419-R447 PolarHBondContact OG1-NH1 3.17Å; T419-R447 VanDerWaalsContact OG1-NH1 3.15Å; T419-R447 PolarHBondContact OG1-NH2 2.75Å |
| 420 | A | 88.9 | Confident | 91.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -77.6 | 130.4 | 179 | 0 | 0 | 0 | 0 | 0 | 110.4 | R412 E417 R446 R447 | R412-A420 PolarHBondContact NH1-O 2.93Å; R412-A420 PolarHBondContact NH2-O 2.89Å; R412-A420 VanDerWaalsContact NH2-O 3.15Å; E417-A420 HydrophobicContact CB-CB 3.84Å; E417-A420 VanDerWaalsContact O-CB 3.25Å; E417-A420 WeakPolarHBondContact O-CB 3.44Å; E417-A420 PolarHBondContact O-N 3.11Å; A420-R446 VanDerWaalsContact CB-C 3.46Å; A420-R447 HydrophobicContact CB-CG 4.22Å | ||
| 421 | P | 87.8 | Confident | 91.5 | Very high | 76 Ų | 76 | 43.6 Ų | 43.6 | 49% | 0.494 | 21% | 0.207 | S | C | . | . | trans | -82.5 | -15.3 | -178.5 | 30.1 | -32.7 | 0 | 0 | 0 | 113.5 | L404 Y405 | L404-P421 WeakPolarHBondContact CA-O 3.33Å; L404-P421 HydrophobicContact CD2-CB 4.22Å; Y405-P421 PolarHBondContact N-O 2.92Å | ||
| 422 | L | 91.2 | Very high | 91.6 | Very high | 34 Ų | 34 | 38 Ų | 38 | 18% | 0.178 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -107.3 | 139.8 | -172.4 | -60.8 | 171.2 | 0 | 0 | 0 | 111.8 | G402 L404 A424 T445 R446 A449 L450 | G402-L422 WeakPolarHBondContact O-CD2 3.37Å; L404-L422 HydrophobicContact CD2-CD2 3.87Å; L404-L422 HydrophobicContact CG-CD2 4.49Å; L422-A424 PolarHBondContact O-N 3.42Å; L422-T445 WeakPolarHBondContact O-CA 3.45Å; L422-T445 WeakPolarHBondContact O-CB 3.39Å; L422-R446 PolarHBondContact O-N 2.9Å; L422-A449 HydrophobicContact CB-CB 4.07Å; L422-L450 HydrophobicContact CD1-CD1 3.5Å; L422-L450 HydrophobicContact CD1-CG 3.89Å |
| 423 | V | 91.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 121.1 | 169.5 | 178.6 | 0 | 0 | 0 | 0 | 109 | G402 E403 Y405 A443 V444 T445 | G402-V423 WeakPolarHBondContact CA-O 3.46Å; E403-V423 HydrophobicContact CG-CB 4.31Å; E403-V423 HydrophobicContact CG-CG2 4.2Å; E403-V423 PolarHBondContact O-N 3.19Å; Y405-V423 HydrophobicContact CD2-CG2 4.45Å; V423-A443 HydrophobicContact CG1-CB 3.88Å; V423-A443 HydrophobicContact CG2-CB 4.17Å; V423-V444 CarbonylContact C-O 3.55Å; V423-T445 HydrophobicContact CG2-CG2 4.36Å |
| 424 | A | 90.3 | Very high | 91.7 | Very high | 23 Ų | 23 | 41.1 Ų | 41.1 | 19% | 0.19 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | -48.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L422 V444 R446 A449 | L422-A424 PolarHBondContact O-N 3.42Å; A424-V444 PolarHBondContact N-O 3.32Å; A424-R446 HydrophobicContact CB-CB 4.08Å; A424-R446 HydrophobicContact CB-CG 4.15Å; A424-A449 HydrophobicContact CB-CB 4.17Å |
| 425 | Y | 91.7 | Very high | 91.8 | Very high | 10 Ų | 10 | 39.9 Ų | 39.9 | 4% | 0.039 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 158.6 | 172.8 | 61.7 | -88 | 0 | 0 | 0 | 110.3 | E286 Q289 R290 D415 V427 V444 | E286-Y425 HydrophobicContact CB-CE1 4.05Å; E286-Y425 HydrophobicContact CG-CD1 3.66Å; E286-Y425 HydrophobicContact CG-CE1 3.45Å; E286-Y425 VanDerWaalsContact CG-CE1 3.45Å; E286-Y425 HydrophobicContact CG-CE2 4.38Å; E286-Y425 HydrophobicContact CG-CG 4.2Å; Q289-Y425 HydrophobicContact CB-CE2 4.03Å; Q289-Y425 PolarHBondContact OE1-OH 3.37Å; R290-Y425 HydrophobicContact CG-CD2 4.49Å; R290-Y425 HydrophobicContact CG-CG 4.48Å; D415-Y425 PolarHBondContact OD2-OH 3.14Å; Y425-V427 HydrophobicContact CD2-CG2 4.38Å; Y425-V427 HydrophobicContact CE2-CG2 3.93Å; Y425-V444 HydrophobicContact CD1-CB 4.12Å; Y425-V444 HydrophobicContact CD2-CB 4.42Å; Y425-V444 HydrophobicContact CD2-CG2 4.23Å; Y425-V444 HydrophobicContact CE1-CB 3.72Å; Y425-V444 HydrophobicContact CE1-CG1 3.88Å; Y425-V444 HydrophobicContact CE1-CG2 3.97Å; Y425-V444 HydrophobicContact CE2-CB 4.04Å; Y425-V444 HydrophobicContact CE2-CG2 3.52Å; Y425-V444 HydrophobicContact CG-CB 4.46Å; Y425-V444 PolarHBondContact N-O 2.85Å; Y425-V444 PolarHBondContact O-N 3.48Å |
| 426 | H | 93.6 | Very high | 92 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 6% | 0.06 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 136.5 | 177 | -58.9 | 81 | 0 | 0 | 0 | 109.9 | F293 E403 Y410 | F293-H426 WeakPolarHBondContact CB-O 3.45Å; F293-H426 HydrophobicContact CD1-CB 4.28Å; F293-H426 HydrophobicContact CD2-CB 3.48Å; F293-H426 VanDerWaalsContact CD2-CB 3.48Å; F293-H426 HydrophobicContact CE1-CB 4.13Å; F293-H426 HydrophobicContact CE2-CB 3.29Å; F293-H426 HydrophobicContact CG-CB 3.99Å; F293-H426 HydrophobicContact CZ-CB 3.65Å; E403-H426 IonicContact OE1-CE1 3.98Å; E403-H426 PolarHBondContact OE1-CE1 3.07Å; E403-H426 IonicContact OE1-NE2 3.78Å; E403-H426 PolarHBondContact OE1-NE2 3.44Å; Y410-H426 AromaticContact CE1-CD2 3.73Å; Y410-H426 AromaticContact CE2-NE2 4Å; Y410-H426 AromaticContact CZ-CD2 3.76Å; Y410-H426 AromaticContact CZ-NE2 3.75Å |
| 427 | V | 94.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -39.3 | 175.2 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | Q289 Y425 E442 V444 | Q289-V427 HydrophobicContact CG-CG1 4.32Å; Y425-V427 HydrophobicContact CD2-CG2 4.38Å; Y425-V427 HydrophobicContact CE2-CG2 3.93Å; V427-E442 HydrophobicContact CB-CB 4.1Å; V427-E442 HydrophobicContact CB-CG 3.98Å; V427-E442 HydrophobicContact CG1-CG 4.48Å; V427-E442 HydrophobicContact CG2-CG 4.32Å; V427-E442 PolarHBondContact N-O 2.96Å; V427-V444 HydrophobicContact CG2-CG2 3.76Å |
| 428 | W | 96.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 42 Ų | 42 | 1% | 0.011 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 135.7 | 179.2 | -166.1 | -107.6 | 0 | 0 | 0 | 111.2 | F263 L266 Y267 R271 I292 T296 F376 G441 E442 | F263-W428 HydrophobicContact CD2-CZ2 4.31Å; F263-W428 HydrophobicContact CE1-CZ2 4.4Å; F263-W428 AromaticContact CE1-NE1 3.19Å; F263-W428 AromaticContact CE2-CZ2 3.85Å; F263-W428 HydrophobicContact CE2-CZ2 3.85Å; F263-W428 AromaticContact CZ-CE2 3.75Å; F263-W428 AromaticContact CZ-CZ2 3.91Å; F263-W428 HydrophobicContact CZ-CZ2 3.91Å; F263-W428 AromaticContact CZ-NE1 3.21Å; L266-W428 HydrophobicContact CB-CH2 3.93Å; L266-W428 HydrophobicContact CB-CZ2 4.03Å; Y267-W428 HydrophobicContact CD2-CB 3.63Å; Y267-W428 AromaticContact CD2-CD1 3.78Å; Y267-W428 AromaticContact CD2-CD2 3.59Å; Y267-W428 HydrophobicContact CD2-CD2 3.59Å; Y267-W428 HydrophobicContact CD2-CE3 4.09Å; Y267-W428 AromaticContact CD2-CG 3.37Å; Y267-W428 HydrophobicContact CD2-CG 3.37Å; Y267-W428 HydrophobicContact CE2-CB 3.82Å; Y267-W428 HydrophobicContact CE2-CG 4.07Å; Y267-W428 HydrophobicContact CG-CD2 4.22Å; Y267-W428 HydrophobicContact CG-CG 4.14Å; R271-W428 HydrophobicContact CB-CZ3 4.14Å; R271-W428 HydrophobicContact CG-CE3 4.15Å; R271-W428 HydrophobicContact CG-CZ3 4.09Å; I292-W428 HydrophobicContact CG2-CZ3 4.48Å; T296-W428 HydrophobicContact CG2-CH2 4.04Å; T296-W428 HydrophobicContact CG2-CZ2 4.39Å; T296-W428 HydrophobicContact CG2-CZ3 4.29Å; F376-W428 HydrophobicContact CE2-CH2 4.37Å; F376-W428 HydrophobicContact CE2-CZ3 4.33Å; F376-W428 HydrophobicContact CZ-CH2 4.25Å; F376-W428 HydrophobicContact CZ-CZ3 4Å; W428-G441 CarbonylContact O-C 3.59Å; W428-G441 VanDerWaalsContact O-CA 3.3Å; W428-G441 WeakPolarHBondContact O-CA 3.5Å; W428-E442 HydrophobicContact CB-CB 4.09Å; W428-E442 PolarHBondContact N-O 3.35Å; W428-E442 VanDerWaalsContact N-O 3.09Å; W428-E442 PolarHBondContact O-N 3.34Å |
| 429 | P | 96.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -71.2 | 152.5 | 178.7 | 30.2 | -34.5 | 0 | 0 | 0 | 112 | F263 F293 T296 L396 G441 | F263-P429 HydrophobicContact CZ-CG 4.36Å; F293-P429 HydrophobicContact CD2-CB 4.47Å; F293-P429 HydrophobicContact CE2-CB 3.82Å; F293-P429 HydrophobicContact CE2-CG 4.39Å; T296-P429 HydrophobicContact CG2-CG 3.73Å; L396-P429 HydrophobicContact CB-CB 4.25Å; L396-P429 HydrophobicContact CD1-CB 3.92Å; L396-P429 HydrophobicContact CD1-CG 3.8Å; L396-P429 HydrophobicContact CD2-CB 3.92Å; L396-P429 HydrophobicContact CD2-CG 3.79Å; L396-P429 HydrophobicContact CG-CB 4.24Å; L396-P429 HydrophobicContact CG-CG 4.33Å; P429-G441 WeakPolarHBondContact O-CA 3.49Å |
| 430 | A | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -82.9 | 137.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110 | L396 A397 K409 Y410 V437 V439 | L396-A430 CarbonylContact C-O 3.59Å; L396-A430 WeakPolarHBondContact CA-O 3.33Å; A397-A430 HydrophobicContact CB-CB 3.91Å; A397-A430 PolarHBondContact N-O 2.95Å; K409-A430 HydrophobicContact CB-CB 4.43Å; K409-A430 VanDerWaalsContact O-CB 3.23Å; K409-A430 WeakPolarHBondContact O-CB 3.32Å; Y410-A430 HydrophobicContact CD1-CB 4.35Å; Y410-A430 HydrophobicContact CE1-CB 3.9Å; A430-V437 HydrophobicContact CB-CG1 4.48Å; A430-V439 CarbonylContact C-O 3.33Å; A430-V439 WeakPolarHBondContact CA-O 3.48Å |
| 431 | L | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 128.7 | 176.4 | -166.2 | 71.4 | 0 | 0 | 0 | 109.6 | V260 F263 F300 M387 L394 L396 I438 V439 | V260-L431 HydrophobicContact CG2-CD2 4.3Å; F263-L431 HydrophobicContact CB-CD2 4.37Å; F263-L431 HydrophobicContact CD1-CB 4.06Å; F263-L431 HydrophobicContact CD1-CD1 4.48Å; F263-L431 HydrophobicContact CD1-CD2 3.95Å; F263-L431 HydrophobicContact CD1-CG 4.41Å; F263-L431 HydrophobicContact CD2-CD1 4.31Å; F263-L431 HydrophobicContact CE1-CB 3.74Å; F263-L431 HydrophobicContact CE1-CD1 4.41Å; F263-L431 HydrophobicContact CE1-CD2 4.46Å; F263-L431 HydrophobicContact CE1-CG 4.44Å; F263-L431 HydrophobicContact CE2-CD1 4.24Å; F263-L431 HydrophobicContact CG-CD1 4.42Å; F263-L431 HydrophobicContact CG-CD2 4.11Å; F263-L431 HydrophobicContact CZ-CB 4.22Å; F263-L431 HydrophobicContact CZ-CD1 4.28Å; F300-L431 HydrophobicContact CE1-CD1 4.15Å; F300-L431 HydrophobicContact CZ-CD1 4.29Å; M387-L431 HydrophobicContact CE-CD1 4.06Å; M387-L431 HydrophobicContact CE-CD2 3.91Å; M387-L431 HydrophobicContact SD-CD1 4.01Å; L394-L431 HydrophobicContact CB-CD1 4.2Å; L394-L431 HydrophobicContact CB-CG 4.43Å; L394-L431 HydrophobicContact CD1-CD2 4.22Å; L396-L431 HydrophobicContact CD2-CD1 4.22Å; L431-I438 PolarHBondContact O-N 2.84Å; L431-V439 HydrophobicContact CB-CB 3.86Å; L431-V439 HydrophobicContact CB-CG2 4.23Å; L431-V439 HydrophobicContact CD2-CG2 4.09Å; L431-V439 PolarHBondContact N-O 2.75Å; L431-V439 PolarHBondContact O-N 3.45Å |
| 432 | V | 96.3 | Very high | 94.1 | Very high | 19 Ų | 19 | 32.6 Ų | 32.6 | 12% | 0.115 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 148.8 | -177.4 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | D395 A397 S436 V437 | D395-V432 PolarHBondContact N-O 3.25Å; D395-V432 WeakPolarHBondContact O-CG2 3.45Å; D395-V432 PolarHBondContact O-N 3.43Å; A397-V432 HydrophobicContact CB-CG1 3.84Å; V432-S436 CarbonylContact C-O 3.57Å; V432-S436 WeakPolarHBondContact CA-O 3.35Å; V432-S436 WeakPolarHBondContact CB-O 3.39Å; V432-V437 HydrophobicContact CG1-CG2 4.15Å |
| 433 | E | 94.9 | Very high | 94.2 | Very high | 56 Ų | 56 | 31 Ų | 31 | 26% | 0.262 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 105.9 | 169.2 | -169.4 | -179.2 | -154.7 | 0 | 0 | 107 | H256 S392 L394 D435 S436 I438 | H256-E433 IonicContact NE2-OE1 3.29Å; H256-E433 IonicContact NE2-OE2 3.68Å; S392-E433 WeakPolarHBondContact CB-OE1 3.31Å; L394-E433 HydrophobicContact CD2-CB 3.71Å; L394-E433 HydrophobicContact CD2-CG 4.03Å; E433-D435 PolarHBondContact O-N 2.86Å; E433-D435 VanDerWaalsContact O-N 3.14Å; E433-S436 PolarHBondContact N-O 3.45Å; E433-S436 PolarHBondContact O-N 3.48Å; E433-I438 HydrophobicContact CB-CD1 3.93Å; E433-I438 HydrophobicContact CB-CG1 3.73Å |
| 434 | G | 90.4 | Very high | 94.3 | Very high | 66 Ų | 66 | 30.9 Ų | 30.9 | 68% | 0.68 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | -117.5 | -166.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 435 | D | 87.6 | Confident | 94.4 | Very high | 169 Ų | 169 | 29.8 Ų | 29.8 | 90% | 0.904 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -3.8 | 178.8 | -67.9 | -27.9 | 0 | 0 | 0 | 113.8 | E433 | E433-D435 PolarHBondContact O-N 2.86Å; E433-D435 VanDerWaalsContact O-N 3.14Å |
| 436 | S | 92.5 | Very high | 94.3 | Very high | 75 Ų | 75 | 33.2 Ų | 33.2 | 52% | 0.524 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 132.9 | -175.4 | -63.4 | 0 | 0 | 0 | 0 | 111.6 | V432 E433 I438 | V432-S436 CarbonylContact C-O 3.57Å; V432-S436 WeakPolarHBondContact CA-O 3.35Å; V432-S436 WeakPolarHBondContact CB-O 3.39Å; E433-S436 PolarHBondContact N-O 3.45Å; E433-S436 PolarHBondContact O-N 3.48Å; S436-I438 PolarHBondContact O-N 3.29Å |
| 437 | V | 94.9 | Very high | 93.9 | Very high | 33 Ų | 33 | 40.3 Ų | 40.3 | 20% | 0.2 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 115.3 | 174.8 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | K409 A430 V432 K440 | K409-V437 HydrophobicContact CG-CG2 3.94Å; A430-V437 HydrophobicContact CB-CG1 4.48Å; V432-V437 HydrophobicContact CG1-CG2 4.15Å; V437-K440 HydrophobicContact CG1-CG 4.4Å |
| 438 | I | 95.7 | Very high | 92.8 | Very high | 64 Ų | 64 | 42 Ų | 42 | 33% | 0.328 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -43.7 | 178.1 | -54.2 | -55.8 | 0 | 0 | 0 | 110.4 | V260 L394 L431 E433 S436 | V260-I438 HydrophobicContact CG1-CG2 4.1Å; V260-I438 HydrophobicContact CG2-CG2 3.98Å; L394-I438 HydrophobicContact CD2-CG1 4.21Å; L431-I438 PolarHBondContact O-N 2.84Å; E433-I438 HydrophobicContact CB-CD1 3.93Å; E433-I438 HydrophobicContact CB-CG1 3.73Å; S436-I438 PolarHBondContact O-N 3.29Å |
| 439 | V | 96.2 | Very high | 91.2 | Very high | 21 Ų | 21 | 42.7 Ų | 42.7 | 13% | 0.127 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 121.3 | 177.1 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | V260 F263 A430 L431 G441 | V260-V439 HydrophobicContact CG1-CG2 3.73Å; F263-V439 HydrophobicContact CD1-CB 4.38Å; F263-V439 HydrophobicContact CD1-CG1 4.36Å; F263-V439 HydrophobicContact CD1-CG2 4.47Å; F263-V439 HydrophobicContact CE1-CB 4.43Å; F263-V439 HydrophobicContact CE1-CG1 4.38Å; A430-V439 CarbonylContact C-O 3.33Å; A430-V439 WeakPolarHBondContact CA-O 3.48Å; L431-V439 HydrophobicContact CB-CB 3.86Å; L431-V439 HydrophobicContact CB-CG2 4.23Å; L431-V439 HydrophobicContact CD2-CG2 4.09Å; L431-V439 PolarHBondContact N-O 2.75Å; L431-V439 PolarHBondContact O-N 3.45Å; V439-G441 PolarHBondContact O-N 2.88Å |
| 440 | K | 96.2 | Very high | 89.3 | Confident | 67 Ų | 67 | 47.5 Ų | 47.5 | 29% | 0.291 | 26% | 0.264 | S | S | . | . | trans | -65.5 | 134.7 | 173.8 | -61.7 | -166.6 | 177.9 | -170.3 | 0 | 110.3 | D407 N408 K409 R411 V437 | D407-K440 WeakPolarHBondContact O-CE 3.47Å; D407-K440 PolarHBondContact O-NZ 3.09Å; N408-K440 WeakPolarHBondContact O-CE 3.45Å; K409-K440 CarbonylContact O-C 3.58Å; K409-K440 VanDerWaalsContact O-CA 3.3Å; K409-K440 WeakPolarHBondContact O-CA 3.35Å; R411-K440 HydrophobicContact CG-CB 4.1Å; R411-K440 HydrophobicContact CG-CD 4.19Å; R411-K440 PolarHBondContact NH1-O 3.37Å; V437-K440 HydrophobicContact CG1-CG 4.4Å | ||
| 441 | G | 95.6 | Very high | 87.1 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | -168.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K409 Y410 R411 W428 P429 V439 | K409-G441 PolarHBondContact O-N 3.11Å; Y410-G441 CarbonylContact C-O 3.59Å; Y410-G441 WeakPolarHBondContact CA-O 3.32Å; R411-G441 PolarHBondContact N-O 3.28Å; W428-G441 CarbonylContact O-C 3.59Å; W428-G441 VanDerWaalsContact O-CA 3.3Å; W428-G441 WeakPolarHBondContact O-CA 3.5Å; P429-G441 WeakPolarHBondContact O-CA 3.49Å; V439-G441 PolarHBondContact O-N 2.88Å |
| 442 | E | 95.4 | Very high | 84.7 | Confident | 26 Ų | 26 | 68.6 Ų | 68.6 | 12% | 0.121 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 133.9 | 178.6 | -175.3 | -175.7 | 177.1 | 0 | 0 | 110.2 | Y267 R411 S413 V427 W428 | Y267-E442 HydrophobicContact CE2-CB 4.41Å; Y267-E442 WeakPolarHBondContact CE2-OE2 3.23Å; Y267-E442 VanDerWaalsContact CZ-OE2 3.24Å; Y267-E442 PolarHBondContact OH-OE2 3.12Å; R411-E442 WeakPolarHBondContact O-CA 3.25Å; S413-E442 VanDerWaalsContact CB-OE1 3.27Å; S413-E442 WeakPolarHBondContact CB-OE1 3.45Å; S413-E442 WeakPolarHBondContact OG-CG 3.2Å; S413-E442 PolarHBondContact OG-OE1 2.86Å; V427-E442 HydrophobicContact CB-CB 4.1Å; V427-E442 HydrophobicContact CB-CG 3.98Å; V427-E442 HydrophobicContact CG1-CG 4.48Å; V427-E442 HydrophobicContact CG2-CG 4.32Å; V427-E442 PolarHBondContact N-O 2.96Å; W428-E442 HydrophobicContact CB-CB 4.09Å; W428-E442 PolarHBondContact N-O 3.35Å; W428-E442 VanDerWaalsContact N-O 3.09Å; W428-E442 PolarHBondContact O-N 3.34Å |
| 443 | A | 94.4 | Very high | 82.1 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 144.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y410 R411 R412 S413 S416 V423 | Y410-A443 HydrophobicContact CD1-CB 4.43Å; Y410-A443 HydrophobicContact CG-CB 4.11Å; R411-A443 PolarHBondContact O-N 3.18Å; R412-A443 WeakPolarHBondContact CA-O 3.38Å; S413-A443 PolarHBondContact N-O 3.5Å; S416-A443 PolarHBondContact OG-O 3.32Å; V423-A443 HydrophobicContact CG1-CB 3.88Å; V423-A443 HydrophobicContact CG2-CB 4.17Å |
| 444 | V | 93.3 | Very high | 79.4 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 134.4 | 172.1 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | D415 S416 V423 A424 Y425 V427 R446 | D415-V444 WeakPolarHBondContact OD1-CG2 3.45Å; S416-V444 WeakPolarHBondContact OG-CA 3.45Å; V423-V444 CarbonylContact C-O 3.55Å; A424-V444 PolarHBondContact N-O 3.32Å; Y425-V444 HydrophobicContact CD1-CB 4.12Å; Y425-V444 HydrophobicContact CD2-CB 4.42Å; Y425-V444 HydrophobicContact CD2-CG2 4.23Å; Y425-V444 HydrophobicContact CE1-CB 3.72Å; Y425-V444 HydrophobicContact CE1-CG1 3.88Å; Y425-V444 HydrophobicContact CE1-CG2 3.97Å; Y425-V444 HydrophobicContact CE2-CB 4.04Å; Y425-V444 HydrophobicContact CE2-CG2 3.52Å; Y425-V444 HydrophobicContact CG-CB 4.46Å; Y425-V444 PolarHBondContact N-O 2.85Å; Y425-V444 PolarHBondContact O-N 3.48Å; V427-V444 HydrophobicContact CG2-CG2 3.76Å; V444-R446 HydrophobicContact CG1-CG 4.42Å |
| 445 | T | 93.3 | Very high | 76.8 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 135.4 | -179.3 | 49.7 | 0 | 0 | 0 | 0 | 110.2 | Y405 R412 S416 E417 L422 V423 | Y405-T445 HydrophobicContact CD2-CG2 3.78Å; Y405-T445 HydrophobicContact CG-CG2 4.13Å; R412-T445 VanDerWaalsContact NH1-CB 3.27Å; R412-T445 PolarHBondContact NH1-OG1 3.37Å; S416-T445 WeakPolarHBondContact CA-O 3.33Å; S416-T445 WeakPolarHBondContact CB-OG1 3.32Å; S416-T445 PolarHBondContact OG-N 3.49Å; S416-T445 PolarHBondContact OG-OG1 2.96Å; E417-T445 PolarHBondContact N-O 3.4Å; E417-T445 PolarHBondContact O-OG1 2.97Å; L422-T445 WeakPolarHBondContact O-CA 3.45Å; L422-T445 WeakPolarHBondContact O-CB 3.39Å; V423-T445 HydrophobicContact CG2-CG2 4.36Å |
| 446 | R | 89.6 | Confident | 74.4 | Confident | 82 Ų | 82 | 86 Ų | 86 | 31% | 0.309 | 41% | 0.405 | S | S | . | . | trans | -145.2 | 147.7 | 179.2 | -66.2 | -172.6 | -175.5 | 148.6 | 5.2 | 111 | E286 D415 A420 L422 A424 V444 | E286-R446 IonicContact OE2-CZ 2.88Å; E286-R446 IonicContact OE2-NH1 2.83Å; E286-R446 PolarHBondContact OE2-NH1 3.45Å; E286-R446 IonicContact OE2-NH2 3.93Å; D415-R446 IonicContact OD2-NH2 3.93Å; A420-R446 VanDerWaalsContact CB-C 3.46Å; L422-R446 PolarHBondContact O-N 2.9Å; A424-R446 HydrophobicContact CB-CB 4.08Å; A424-R446 HydrophobicContact CB-CG 4.15Å; V444-R446 HydrophobicContact CG1-CG 4.42Å | ||
| 447 | R | 84.6 | Confident | 71.6 | Confident | 162 Ų | 162 | 87.2 Ų | 87.2 | 61% | 0.611 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 137.7 | 170 | -84.2 | -178.4 | -107 | -106.6 | 6.3 | 110.1 | E417 T419 A420 | E417-R447 PolarHBondContact OE1-N 3.37Å; E417-R447 WeakPolarHBondContact OE2-CB 3.24Å; E417-R447 VanDerWaalsContact OE2-CG 3.31Å; E417-R447 WeakPolarHBondContact OE2-CG 3.4Å; E417-R447 IonicContact OE2-CZ 3.84Å; E417-R447 PolarHBondContact OE2-N 3.45Å; E417-R447 VanDerWaalsContact OE2-N 3.16Å; E417-R447 IonicContact OE2-NE 3.91Å; E417-R447 PolarHBondContact OE2-NE 3.04Å; E417-R447 VanDerWaalsContact OE2-NE 3.14Å; T419-R447 PolarHBondContact OG1-NH1 3.17Å; T419-R447 VanDerWaalsContact OG1-NH1 3.15Å; T419-R447 PolarHBondContact OG1-NH2 2.75Å; A420-R447 HydrophobicContact CB-CG 4.22Å |
| 448 | G | 71.3 | Confident | 68.7 | Low | 37 Ų | 37 | 91.9 Ų | 91.9 | 38% | 0.381 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 18.2 | 180 | 0 | 0 | 0 | 0 | 0 | 115 | L450 W451 | G448-L450 PolarHBondContact O-N 2.97Å; G448-W451 VanDerWaalsContact O-CB 3.32Å; G448-W451 WeakPolarHBondContact O-CB 3.36Å; G448-W451 PolarHBondContact O-N 3.08Å |
| 449 | A | 62.4 | Low | 65.7 | Low | 18 Ų | 18 | 93.5 Ų | 93.5 | 15% | 0.149 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -48.2 | -35.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L422 A424 W451 | L422-A449 HydrophobicContact CB-CB 4.07Å; A424-A449 HydrophobicContact CB-CB 4.17Å; A449-W451 PolarHBondContact O-N 2.85Å |
| 450 | L | 57.6 | Low | 63.4 | Low | 101 Ų | 101 | 98 Ų | 98 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -70.8 | -13 | 178.3 | -70.9 | 162.8 | 0 | 0 | 0 | 114.3 | L422 G448 | L422-L450 HydrophobicContact CD1-CD1 3.5Å; L422-L450 HydrophobicContact CD1-CG 3.89Å; G448-L450 PolarHBondContact O-N 2.97Å |
| 451 | W | 49.1 | Very low | 60.5 | Low | 222 Ų | 222 | 101.1 Ų | 101.1 | 84% | 0.841 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -89.6 | -14 | -168.6 | -66.9 | 40.4 | 0 | 0 | 0 | 112.8 | G448 A449 | G448-W451 VanDerWaalsContact O-CB 3.32Å; G448-W451 WeakPolarHBondContact O-CB 3.36Å; G448-W451 PolarHBondContact O-N 3.08Å; A449-W451 PolarHBondContact O-N 2.85Å |
| 452 | R | 48.3 | Very low | 57.6 | Low | 222 Ų | 222 | 112.2 Ų | 112.2 | 84% | 0.838 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -91 | -13.4 | 178.7 | -72.9 | -164.9 | 173.5 | -135.7 | 0.9 | 114.5 | ||
| 453 | S | 40.1 | Very low | 54.8 | Low | 106 Ų | 106 | 116.7 Ų | 116.7 | 74% | 0.741 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -89.5 | -1.9 | -177.7 | -58 | 0 | 0 | 0 | 0 | 115 | S455 | S453-S455 PolarHBondContact O-N 2.8Š|
| 454 | R | 39.9 | Very low | 51.9 | Low | 226 Ų | 226 | 120.3 Ų | 120.3 | 85% | 0.853 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -91.7 | 93.3 | 166.7 | -110.1 | -178.2 | 179.8 | -174.5 | 0.2 | 108.6 | R456 | R454-R456 PolarHBondContact O-N 3.17Š|
| 455 | S | 36 | Very low | 49.2 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 78% | 0.783 | 67% | 0.668 | S | S | * | * | trans | -41.6 | 103 | 159.4 | 32.2 | 0 | 0 | 0 | 0 | 109.7 | S453 S457 | S453-S455 PolarHBondContact O-N 2.8Å; S455-S457 VanDerWaalsContact C-N 3.28Å; S455-S457 PolarHBondContact O-N 3.21Å | ||
| 456 | R | 35.3 | Very low | 46.9 | Very low | 232 Ų | 232 | 131.6 Ų | 131.6 | 88% | 0.875 | 71% | 0.706 | S | S | * | * | trans | -70.8 | 95 | 163.1 | -79.8 | -173.5 | 176.2 | -159.5 | -0.3 | 106.2 | R454 C458 | R454-R456 PolarHBondContact O-N 3.17Å; R456-C458 PolarHBondContact O-N 3.48Å | ||
| 457 | S | 33.5 | Very low | 44.4 | Very low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | trans | -55.8 | 106.4 | 155.4 | 52.3 | 0 | 0 | 0 | 0 | 107.4 | S455 S459 | S455-S457 VanDerWaalsContact C-N 3.28Å; S455-S457 PolarHBondContact O-N 3.21Å; S457-S459 VanDerWaalsContact C-N 3.27Å; S457-S459 PolarHBondContact O-N 3.32Å | ||
| 458 | C | 35.5 | Very low | 42 | Very low | 131 Ų | 131 | 137 Ų | 137 | 89% | 0.885 | 74% | 0.742 | S | S | * | * | trans | -66.3 | 92.5 | 164.5 | -83.8 | 0 | 0 | 0 | 0 | 107.9 | R456 | R456-C458 PolarHBondContact O-N 3.48Š| ||
| 459 | S | 32.9 | Very low | 40.4 | Very low | 99 Ų | 99 | 141 Ų | 141 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | trans | -90.9 | 128 | 159.5 | -49.5 | 0 | 0 | 0 | 0 | 107.7 | S457 | S457-S459 VanDerWaalsContact C-N 3.27Å; S457-S459 PolarHBondContact O-N 3.32Å | ||
| 460 | P | 47.3 | Very low | 39.1 | Very low | 116 Ų | 116 | 148.5 Ų | 148.5 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -77.2 | 164.1 | 174.3 | 32.4 | -30.7 | 0 | 0 | 0 | 110.2 | ||||
| 461 | V | 35.5 | Very low | 37.9 | Very low | 132 Ų | 132 | 146.8 Ų | 146.8 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | 89.9 | 101.5 | 171.1 | -164.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 462 | R | 33.3 | Very low | 37.2 | Very low | 234 Ų | 234 | 147 Ų | 147 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | -177.4 | 123.4 | 88.1 | -140.6 | 166.4 | -168.9 | -146.7 | 3.5 | 110.6 | |||||
| 463 | S | 38.4 | Very low | 36.4 | Very low | 120 Ų | 120 | 142 Ų | 142 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -53.6 | 129.5 | 163.4 | 47.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 464 | G | 33.1 | Very low | 36.2 | Very low | 75 Ų | 75 | 148.9 Ų | 148.9 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -151.6 | 97.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 465 | S | 36.1 | Very low | 35.9 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -61.2 | 152.8 | 174.6 | -47.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 466 | P | 45.8 | Very low | 35.9 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | trans | -97.7 | 112.6 | 179.2 | 34 | -25.6 | 0 | 0 | 0 | 111.2 | ||||
| 467 | T | 37 | Very low | 36.1 | Very low | 132 Ų | 132 | 143 Ų | 143 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -164.7 | 118.2 | 155.4 | -16.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 468 | R | 33.3 | Very low | 36.9 | Very low | 226 Ų | 226 | 143.6 Ų | 143.6 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | 155 | 109.9 | 124.1 | -88.9 | -179.4 | 149.8 | -156.6 | -5.8 | 112.7 | |||||
| 469 | T | 37.7 | Very low | 36.9 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | -9.3 | 139.5 | 132.5 | 45.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 470 | L | 34.5 | Very low | 37.7 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | 155.1 | 134 | 139.1 | -83.1 | 157.6 | 0 | 0 | 0 | 106.1 | ||||
| 471 | G | 33.5 | Very low | 37.1 | Very low | 64 Ų | 64 | 142.6 Ų | 142.6 | 66% | 0.66 | 82% | 0.819 | S | S | * | * | cis | 144.3 | 95.4 | 22.6 | 0 | 0 | 0 | 0 | 0 | 105 | S473 | G471-S473 PolarHBondContact O-N 3.23Š| ||
| 472 | F | 34.4 | Very low | 37.1 | Very low | 227 Ų | 227 | 147.3 Ų | 147.3 | 100% | 0.996 | 82% | 0.822 | S | S | * | * | trans | -78.5 | 116.2 | 176.6 | -90.7 | -85.3 | 0 | 0 | 0 | 109.2 | ||||
| 473 | S | 31.3 | Very low | 37.5 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -128 | 134.9 | 167.5 | 60.6 | 0 | 0 | 0 | 0 | 110.8 | G471 | G471-S473 PolarHBondContact O-N 3.23Š| ||
| 474 | R | 35.7 | Very low | 37.3 | Very low | 250 Ų | 250 | 143 Ų | 143 | 94% | 0.943 | 82% | 0.815 | S | S | * | * | trans | -86.5 | 151.3 | -176.6 | -80.4 | 170.2 | 155.3 | -171.7 | -5.2 | 111.9 | ||||
| 475 | S | 34.6 | Very low | 37.6 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -161.9 | 110.5 | 143.5 | 54.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 476 | R | 34.4 | Very low | 37.9 | Very low | 236 Ų | 236 | 142.5 Ų | 142.5 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | 85.6 | 101.6 | 98.6 | -81.4 | -176.1 | -179.6 | -126.2 | 2.1 | 113.4 | |||||
| 477 | S | 39.6 | Very low | 37.6 | Very low | 104 Ų | 104 | 147.7 Ų | 147.7 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | 97.7 | 158.5 | 80.7 | 57.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 478 | P | 50.1 | Low | 37.8 | Very low | 111 Ų | 111 | 152.9 Ų | 152.9 | 72% | 0.721 | 83% | 0.83 | S | S | * | * | cis | -147.3 | 153.9 | 26 | 39.3 | -16.6 | 0 | 0 | 0 | 121.5 | ||||
| 479 | S | 36.8 | Very low | 38.1 | Very low | 113 Ų | 113 | 149.3 Ų | 149.3 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | trans | 59.7 | 164 | 133 | -55.5 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 480 | P | 50.1 | Low | 38.1 | Very low | 130 Ų | 130 | 150.7 Ų | 150.7 | 84% | 0.844 | 83% | 0.833 | S | S | * | * | cis | -133.5 | 155.1 | -10.3 | 30.2 | -8.8 | 0 | 0 | 0 | 116.4 | ||||
| 481 | G | 34.1 | Very low | 38.3 | Very low | 81 Ų | 81 | 149.4 Ų | 149.4 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | trans | -141.9 | 131.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 482 | R | 35.8 | Very low | 38.6 | Very low | 231 Ų | 231 | 154.4 Ų | 154.4 | 87% | 0.872 | 84% | 0.838 | S | S | * | * | trans | -93.9 | 165.2 | -156.7 | -149.3 | -179.6 | -145.6 | -120.7 | 5.6 | 111.9 | ||||
| 483 | L | 40.7 | Very low | 38.8 | Very low | 161 Ų | 161 | 149.9 Ų | 149.9 | 84% | 0.843 | 83% | 0.828 | S | S | * | * | trans | 84.5 | 141.6 | 164 | -48.6 | 167.3 | 0 | 0 | 0 | 115.1 | ||||
| 484 | S | 34.9 | Very low | 39.3 | Very low | 104 Ų | 104 | 152 Ų | 152 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | cis | -175.4 | 145.7 | -5 | 150.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 485 | A | 39.5 | Very low | 39.6 | Very low | 80 Ų | 80 | 145 Ų | 145 | 66% | 0.661 | 82% | 0.82 | S | S | * | * | trans | 48.2 | 110.5 | 150.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 486 | S | 41.7 | Very low | 40 | Very low | 98 Ų | 98 | 147.9 Ų | 147.9 | 69% | 0.685 | 83% | 0.826 | S | S | * | * | 77.3 | 128.1 | 66.9 | 81.3 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 487 | R | 40.2 | Very low | 40.4 | Very low | 233 Ų | 233 | 140.6 Ų | 140.6 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | trans | 81.1 | 128.2 | 159 | -60.6 | -179.5 | -167.9 | -135.2 | 2.6 | 114.8 | ||||
| 488 | L | 41.8 | Very low | 40.5 | Very low | 241 Ų | 241 | 143.9 Ų | 143.9 | 100% | 1.262 | 83% | 0.829 | S | S | * | * | cis | -145.5 | 0 | 19.5 | -104.6 | 153.2 | 0 | 0 | 0 | 109.8 |
Retrieved 488 of 488 residues in 1819.2 ms
(Link to these results)