| 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 | 52.5 | Low | 84.8 | Confident | 239 Ų | 239 | 112.8 Ų | 112.8 | 100% | 1.177 | 58% | 0.58 | S | S | * | * | 0 | 121.3 | 0 | -158.2 | 173.2 | -78.5 | 0 | 0 | 105.5 | |||||
| 2 | E | 76.5 | Confident | 85.7 | Confident | 190 Ų | 190 | 107.8 Ų | 107.8 | 89% | 0.888 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 141.3 | -179.5 | -73.2 | 177.8 | 157.3 | 0 | 0 | 110 | I4 | E2-I4 PolarHBondContact O-N 3.11Š|
| 3 | N | 80.1 | Confident | 86.5 | Confident | 165 Ų | 165 | 100.2 Ų | 100.2 | 88% | 0.882 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 126.6 | 174.5 | -73.3 | -36.1 | 0 | 0 | 0 | 108.9 | S5 | N3-S5 PolarHBondContact O-N 3.46Š|
| 4 | I | 81.9 | Confident | 87.2 | Confident | 116 Ų | 116 | 100.9 Ų | 100.9 | 60% | 0.595 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 124.2 | 171.6 | -66.5 | 168.7 | 0 | 0 | 0 | 108.1 | E2 F8 A9 | E2-I4 PolarHBondContact O-N 3.11Å; I4-F8 HydrophobicContact CG2-CD1 4.1Å; I4-A9 HydrophobicContact CG2-CB 3.94Å |
| 5 | S | 88.2 | Confident | 87.8 | Confident | 62 Ų | 62 | 99 Ų | 99 | 43% | 0.434 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 147.3 | 171.7 | 68.1 | 0 | 0 | 0 | 0 | 110.5 | N3 D7 F8 A9 | N3-S5 PolarHBondContact O-N 3.46Å; S5-D7 PolarHBondContact O-N 3.14Å; S5-F8 PolarHBondContact O-N 3.35Å; S5-F8 VanDerWaalsContact OG-CB 3.29Å; S5-F8 WeakPolarHBondContact OG-CB 3.42Å; S5-F8 PolarHBondContact OG-N 3.4Å; S5-A9 PolarHBondContact O-N 3.09Å; S5-A9 VanDerWaalsContact O-N 3.09Å |
| 6 | S | 89.5 | Confident | 88.3 | Confident | 56 Ų | 56 | 95.1 Ų | 95.1 | 39% | 0.392 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56 | -40.2 | 175.1 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | F8 A9 I10 | S6-F8 PolarHBondContact O-N 3.45Å; S6-A9 PolarHBondContact O-N 3.05Å; S6-I10 WeakPolarHBondContact O-CB 3.42Å; S6-I10 VanDerWaalsContact O-CG1 3.26Å; S6-I10 WeakPolarHBondContact O-CG1 3.42Å; S6-I10 PolarHBondContact O-N 3.14Å |
| 7 | D | 91.7 | Very high | 88.8 | Confident | 128 Ų | 128 | 90.2 Ų | 90.2 | 68% | 0.684 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.5 | -41.8 | 179 | -62.3 | -17.5 | 0 | 0 | 0 | 112.4 | S5 I10 K11 | S5-D7 PolarHBondContact O-N 3.14Å; D7-I10 PolarHBondContact O-N 2.9Å; D7-K11 WeakPolarHBondContact O-CB 3.46Å; D7-K11 PolarHBondContact O-N 3.37Å |
| 8 | F | 92.5 | Very high | 89.1 | Confident | 118 Ų | 118 | 89.5 Ų | 89.5 | 52% | 0.518 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 176.7 | 178 | -100.3 | 0 | 0 | 0 | 111 | I4 S5 S6 I10 K11 V12 | I4-F8 HydrophobicContact CG2-CD1 4.1Å; S5-F8 PolarHBondContact O-N 3.35Å; S5-F8 VanDerWaalsContact OG-CB 3.29Å; S5-F8 WeakPolarHBondContact OG-CB 3.42Å; S5-F8 PolarHBondContact OG-N 3.4Å; S6-F8 PolarHBondContact O-N 3.45Å; F8-I10 PolarHBondContact O-N 3Å; F8-K11 WeakPolarHBondContact O-CB 3.45Å; F8-K11 PolarHBondContact O-N 3.43Å; F8-V12 HydrophobicContact CD1-CG2 4.31Å; F8-V12 HydrophobicContact CE1-CG2 3.88Å; F8-V12 HydrophobicContact CE2-CG2 4.38Å; F8-V12 HydrophobicContact CZ-CG2 3.92Å; F8-V12 WeakPolarHBondContact O-CG2 3.29Å; F8-V12 PolarHBondContact O-N 3.46Å |
| 9 | A | 91.9 | Very high | 89.3 | Confident | 13 Ų | 13 | 91.4 Ų | 91.4 | 11% | 0.107 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I4 S5 S6 K11 V12 L13 I62 | I4-A9 HydrophobicContact CG2-CB 3.94Å; S5-A9 PolarHBondContact O-N 3.09Å; S5-A9 VanDerWaalsContact O-N 3.09Å; S6-A9 PolarHBondContact O-N 3.05Å; A9-K11 VanDerWaalsContact C-N 3.33Å; A9-V12 PolarHBondContact O-N 2.97Å; A9-L13 WeakPolarHBondContact O-CG 3.44Å; A9-L13 PolarHBondContact O-N 2.93Å; A9-I62 HydrophobicContact CB-CD1 3.78Å; A9-I62 HydrophobicContact CB-CG1 4.31Å; A9-I62 HydrophobicContact CB-CG2 3.48Å; A9-I62 VanDerWaalsContact CB-CG2 3.48Å |
| 10 | I | 93.2 | Very high | 89.5 | Confident | 38 Ų | 38 | 87.2 Ų | 87.2 | 20% | 0.195 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 173.8 | -70.8 | 164.3 | 0 | 0 | 0 | 110.5 | S6 D7 F8 V12 L13 Q14 L63 | S6-I10 WeakPolarHBondContact O-CB 3.42Å; S6-I10 VanDerWaalsContact O-CG1 3.26Å; S6-I10 WeakPolarHBondContact O-CG1 3.42Å; S6-I10 PolarHBondContact O-N 3.14Å; D7-I10 PolarHBondContact O-N 2.9Å; F8-I10 PolarHBondContact O-N 3Å; I10-V12 VanDerWaalsContact C-N 3.33Å; I10-V12 PolarHBondContact O-N 3.19Å; I10-L13 PolarHBondContact O-N 3.13Å; I10-Q14 WeakPolarHBondContact O-CG 3.43Å; I10-Q14 PolarHBondContact O-N 2.97Å; I10-L63 HydrophobicContact CD1-CD2 4.21Å; I10-L63 HydrophobicContact CG1-CD2 3.62Å |
| 11 | K | 95.2 | Very high | 89.4 | Confident | 116 Ų | 116 | 84.1 Ų | 84.1 | 50% | 0.504 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 176.2 | -176.7 | -178.2 | 174.8 | -172.9 | 0 | 111.8 | D7 F8 A9 L13 Q14 E15 | D7-K11 WeakPolarHBondContact O-CB 3.46Å; D7-K11 PolarHBondContact O-N 3.37Å; F8-K11 WeakPolarHBondContact O-CB 3.45Å; F8-K11 PolarHBondContact O-N 3.43Å; A9-K11 VanDerWaalsContact C-N 3.33Å; K11-L13 PolarHBondContact O-N 2.75Å; K11-Q14 WeakPolarHBondContact O-CB 3.44Å; K11-Q14 PolarHBondContact O-N 3.2Å; K11-E15 VanDerWaalsContact CE-OE1 3.27Å; K11-E15 WeakPolarHBondContact CE-OE1 3.41Å; K11-E15 WeakPolarHBondContact O-CG 3.4Å; K11-E15 PolarHBondContact O-N 3.19Å |
| 12 | V | 95.6 | Very high | 91.1 | Very high | 52 Ų | 52 | 76.5 Ų | 76.5 | 32% | 0.315 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 177.1 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | F8 A9 I10 Q14 E15 D16 | F8-V12 HydrophobicContact CD1-CG2 4.31Å; F8-V12 HydrophobicContact CE1-CG2 3.88Å; F8-V12 HydrophobicContact CE2-CG2 4.38Å; F8-V12 HydrophobicContact CZ-CG2 3.92Å; F8-V12 WeakPolarHBondContact O-CG2 3.29Å; F8-V12 PolarHBondContact O-N 3.46Å; A9-V12 PolarHBondContact O-N 2.97Å; I10-V12 VanDerWaalsContact C-N 3.33Å; I10-V12 PolarHBondContact O-N 3.19Å; V12-Q14 VanDerWaalsContact C-N 3.32Å; V12-Q14 PolarHBondContact O-N 2.95Å; V12-E15 PolarHBondContact O-N 3.32Å; V12-D16 PolarHBondContact O-N 3.01Å |
| 13 | L | 96.4 | Very high | 91.5 | Very high | 10 Ų | 10 | 70.3 Ų | 70.3 | 5% | 0.052 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 175.3 | -71.2 | 169.8 | 0 | 0 | 0 | 111.9 | A9 I10 K11 D16 A17 F50 Q53 V54 A57 L63 M71 | A9-L13 WeakPolarHBondContact O-CG 3.44Å; A9-L13 PolarHBondContact O-N 2.93Å; I10-L13 PolarHBondContact O-N 3.13Å; K11-L13 PolarHBondContact O-N 2.75Å; L13-D16 PolarHBondContact O-N 3.14Å; L13-A17 PolarHBondContact O-N 3.43Å; L13-F50 HydrophobicContact CB-CE2 4.22Å; L13-F50 HydrophobicContact CD2-CE2 4.09Å; L13-F50 VanDerWaalsContact O-CE2 3.25Å; L13-F50 WeakPolarHBondContact O-CE2 3.47Å; L13-Q53 HydrophobicContact CD2-CB 3.85Å; L13-V54 HydrophobicContact CD2-CG2 4.24Å; L13-A57 HydrophobicContact CD1-CB 3.95Å; L13-L63 HydrophobicContact CD1-CD1 3.89Å; L13-L63 HydrophobicContact CD1-CD2 4.21Å; L13-L63 HydrophobicContact CD1-CG 4.29Å; L13-M71 HydrophobicContact CB-SD 4.39Å; L13-M71 HydrophobicContact CD1-SD 4.4Å |
| 14 | Q | 95.6 | Very high | 91.4 | Very high | 109 Ų | 109 | 62.5 Ų | 62.5 | 51% | 0.509 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 175.7 | -72.1 | 171.8 | -14.5 | 0 | 0 | 111.9 | I10 K11 V12 D16 A17 D18 | I10-Q14 WeakPolarHBondContact O-CG 3.43Å; I10-Q14 PolarHBondContact O-N 2.97Å; K11-Q14 WeakPolarHBondContact O-CB 3.44Å; K11-Q14 PolarHBondContact O-N 3.2Å; V12-Q14 VanDerWaalsContact C-N 3.32Å; V12-Q14 PolarHBondContact O-N 2.95Å; Q14-D16 VanDerWaalsContact C-N 3.32Å; Q14-D16 PolarHBondContact O-N 3.47Å; Q14-A17 PolarHBondContact O-N 3.26Å; Q14-D18 PolarHBondContact O-N 3.2Å |
| 15 | E | 96.3 | Very high | 91.3 | Very high | 73 Ų | 73 | 64 Ų | 64 | 34% | 0.341 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 175.6 | -70.7 | 177.5 | -170.1 | 0 | 0 | 112.2 | K11 V12 D18 R19 | K11-E15 VanDerWaalsContact CE-OE1 3.27Å; K11-E15 WeakPolarHBondContact CE-OE1 3.41Å; K11-E15 WeakPolarHBondContact O-CG 3.4Å; K11-E15 PolarHBondContact O-N 3.19Å; V12-E15 PolarHBondContact O-N 3.32Å; E15-D18 PolarHBondContact O-N 3.21Å; E15-R19 WeakPolarHBondContact O-CG 3.45Å; E15-R19 PolarHBondContact O-N 3.06Å; E15-R19 IonicContact OE2-NH2 3.76Å; E15-R19 PolarHBondContact OE2-NH2 2.9Å |
| 16 | D | 95.8 | Very high | 90.7 | Very high | 36 Ų | 36 | 66.1 Ų | 66.1 | 19% | 0.193 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 174.3 | -84.7 | -13.4 | 0 | 0 | 0 | 111.6 | V12 L13 Q14 D18 R19 I20 F50 Q53 | V12-D16 PolarHBondContact O-N 3.01Å; L13-D16 PolarHBondContact O-N 3.14Å; Q14-D16 VanDerWaalsContact C-N 3.32Å; Q14-D16 PolarHBondContact O-N 3.47Å; D16-D18 VanDerWaalsContact C-N 3.31Å; D16-D18 PolarHBondContact O-N 3.04Å; D16-R19 WeakPolarHBondContact O-CB 3.43Å; D16-R19 PolarHBondContact O-N 3.29Å; D16-R19 IonicContact OD1-CZ 3.35Å; D16-R19 IonicContact OD1-NH1 2.74Å; D16-R19 PolarHBondContact OD1-NH1 3.09Å; D16-I20 WeakPolarHBondContact O-CG1 3.29Å; D16-I20 PolarHBondContact O-N 3.43Å; D16-F50 HydrophobicContact CB-CD2 4.24Å; D16-F50 HydrophobicContact CB-CE2 4.48Å; D16-Q53 PolarHBondContact OD2-NE2 3.44Å; D16-Q53 PolarHBondContact OD2-OE1 3.22Å |
| 17 | A | 96.1 | Very high | 89.6 | Confident | 13 Ų | 13 | 66.2 Ų | 66.2 | 11% | 0.107 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L13 Q14 R19 I20 K21 F50 L75 | L13-A17 PolarHBondContact O-N 3.43Å; Q14-A17 PolarHBondContact O-N 3.26Å; A17-R19 PolarHBondContact O-N 3.19Å; A17-I20 PolarHBondContact O-N 3.21Å; A17-K21 PolarHBondContact O-N 3.3Å; A17-F50 HydrophobicContact CB-CE1 4.41Å; A17-F50 HydrophobicContact CB-CE2 4.14Å; A17-F50 HydrophobicContact CB-CZ 3.92Å; A17-L75 HydrophobicContact CB-CD1 4.25Å; A17-L75 HydrophobicContact CB-CD2 3.92Å |
| 18 | D | 94.5 | Very high | 88.1 | Confident | 77 Ų | 77 | 65.8 Ų | 65.8 | 41% | 0.412 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.6 | -37 | 176.8 | -75.5 | -23.7 | 0 | 0 | 0 | 112.7 | Q14 E15 D16 I20 K21 L22 | Q14-D18 PolarHBondContact O-N 3.2Å; E15-D18 PolarHBondContact O-N 3.21Å; D16-D18 VanDerWaalsContact C-N 3.31Å; D16-D18 PolarHBondContact O-N 3.04Å; D18-I20 VanDerWaalsContact C-N 3.31Å; D18-I20 PolarHBondContact O-N 2.93Å; D18-K21 PolarHBondContact O-N 2.85Å; D18-K21 WeakPolarHBondContact OD1-CE 3.49Å; D18-K21 IonicContact OD1-NZ 3.9Å; D18-K21 PolarHBondContact OD1-NZ 2.66Å; D18-L22 WeakPolarHBondContact O-CG 3.46Å; D18-L22 PolarHBondContact O-N 3.06Å |
| 19 | R | 93.7 | Very high | 86.5 | Confident | 126 Ų | 126 | 65.7 Ų | 65.7 | 48% | 0.475 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 174 | -72.5 | 171.7 | -169 | 110.5 | 13.1 | 111.8 | E15 D16 A17 K21 L22 L23 | E15-R19 WeakPolarHBondContact O-CG 3.45Å; E15-R19 PolarHBondContact O-N 3.06Å; E15-R19 IonicContact OE2-NH2 3.76Å; E15-R19 PolarHBondContact OE2-NH2 2.9Å; D16-R19 WeakPolarHBondContact O-CB 3.43Å; D16-R19 PolarHBondContact O-N 3.29Å; D16-R19 IonicContact OD1-CZ 3.35Å; D16-R19 IonicContact OD1-NH1 2.74Å; D16-R19 PolarHBondContact OD1-NH1 3.09Å; A17-R19 PolarHBondContact O-N 3.19Å; R19-K21 VanDerWaalsContact C-N 3.33Å; R19-K21 PolarHBondContact O-N 3.13Å; R19-L22 PolarHBondContact O-N 3.18Å; R19-L23 PolarHBondContact O-N 3.4Å |
| 20 | I | 92.6 | Very high | 84.7 | Confident | 6 Ų | 6 | 68 Ų | 68 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 177.1 | -60 | 177.1 | 0 | 0 | 0 | 110.3 | D16 A17 D18 L22 L23 V43 Q46 M47 F50 L75 L79 | D16-I20 WeakPolarHBondContact O-CG1 3.29Å; D16-I20 PolarHBondContact O-N 3.43Å; A17-I20 PolarHBondContact O-N 3.21Å; D18-I20 VanDerWaalsContact C-N 3.31Å; D18-I20 PolarHBondContact O-N 2.93Å; I20-L22 VanDerWaalsContact C-N 3.32Å; I20-L22 PolarHBondContact O-N 3.41Å; I20-L23 VanDerWaalsContact O-CB 3.3Å; I20-L23 WeakPolarHBondContact O-CB 3.47Å; I20-L23 PolarHBondContact O-N 3.38Å; I20-L23 VanDerWaalsContact O-N 3.17Å; I20-V43 HydrophobicContact CG2-CG1 4.34Å; I20-Q46 HydrophobicContact CD1-CB 3.98Å; I20-Q46 HydrophobicContact CG1-CB 3.92Å; I20-Q46 HydrophobicContact CG2-CB 4.32Å; I20-M47 HydrophobicContact CD1-SD 4.43Å; I20-M47 HydrophobicContact CG2-SD 4.38Å; I20-F50 HydrophobicContact CD1-CB 3.71Å; I20-F50 HydrophobicContact CD1-CG 4.21Å; I20-L75 HydrophobicContact CD1-CD2 4.04Å; I20-L79 HydrophobicContact CG2-CD1 4.01Å; I20-L79 HydrophobicContact CG2-CD2 3.98Å |
| 21 | K | 88.9 | Confident | 82.9 | Confident | 23 Ų | 23 | 73.7 Ų | 73.7 | 10% | 0.1 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.5 | -36.7 | 176.9 | -65.5 | -178.3 | -64.8 | -170 | 0 | 112.9 | A17 D18 R19 L23 I24 R25 L75 E78 L79 L82 | A17-K21 PolarHBondContact O-N 3.3Å; D18-K21 PolarHBondContact O-N 2.85Å; D18-K21 WeakPolarHBondContact OD1-CE 3.49Å; D18-K21 IonicContact OD1-NZ 3.9Å; D18-K21 PolarHBondContact OD1-NZ 2.66Å; R19-K21 VanDerWaalsContact C-N 3.33Å; R19-K21 PolarHBondContact O-N 3.13Å; K21-L23 PolarHBondContact O-N 3.23Å; K21-I24 PolarHBondContact O-N 3.03Å; K21-R25 PolarHBondContact O-N 3.47Å; K21-R25 VanDerWaalsContact O-N 3.1Å; K21-L75 HydrophobicContact CD-CD1 3.9Å; K21-L75 HydrophobicContact CG-CD1 3.58Å; K21-E78 HydrophobicContact CD-CB 4.07Å; K21-E78 WeakPolarHBondContact CD-OE2 3.48Å; K21-E78 WeakPolarHBondContact CE-OE2 2.85Å; K21-E78 IonicContact NZ-OE1 3.72Å; K21-E78 IonicContact NZ-OE2 2.62Å; K21-E78 PolarHBondContact NZ-OE2 2.87Å; K21-L79 HydrophobicContact CG-CD2 4.07Å; K21-L82 HydrophobicContact CB-CD1 4.29Å |
| 22 | L | 87.5 | Confident | 81.1 | Confident | 80 Ų | 80 | 70.4 Ų | 70.4 | 42% | 0.419 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.9 | -28.9 | 176.2 | -73.8 | 168.4 | 0 | 0 | 0 | 112.4 | D18 R19 I20 I24 R25 N26 | D18-L22 WeakPolarHBondContact O-CG 3.46Å; D18-L22 PolarHBondContact O-N 3.06Å; R19-L22 PolarHBondContact O-N 3.18Å; I20-L22 VanDerWaalsContact C-N 3.32Å; I20-L22 PolarHBondContact O-N 3.41Å; L22-I24 VanDerWaalsContact C-N 3.26Å; L22-I24 PolarHBondContact O-N 3.34Å; L22-R25 PolarHBondContact O-N 3.12Å; L22-N26 WeakPolarHBondContact O-CB 3.26Å; L22-N26 PolarHBondContact O-N 3.2Å; L22-N26 PolarHBondContact O-ND2 2.77Å |
| 23 | L | 83.8 | Confident | 78.9 | Confident | 60 Ų | 60 | 74.9 Ų | 74.9 | 31% | 0.314 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58 | -42.8 | 173.9 | -65.8 | 174.5 | 0 | 0 | 0 | 111 | R19 I20 K21 Q27 F39 V42 Q46 | R19-L23 PolarHBondContact O-N 3.4Å; I20-L23 VanDerWaalsContact O-CB 3.3Å; I20-L23 WeakPolarHBondContact O-CB 3.47Å; I20-L23 PolarHBondContact O-N 3.38Å; I20-L23 VanDerWaalsContact O-N 3.17Å; K21-L23 PolarHBondContact O-N 3.23Å; L23-Q27 PolarHBondContact O-NE2 3.36Å; L23-F39 HydrophobicContact CB-CE2 3.81Å; L23-F39 HydrophobicContact CB-CZ 3.84Å; L23-F39 WeakPolarHBondContact O-CE2 3.41Å; L23-F39 WeakPolarHBondContact O-CZ 3.46Å; L23-V42 HydrophobicContact CD1-CG1 4.46Å; L23-Q46 HydrophobicContact CD1-CG 3.82Å |
| 24 | I | 79.4 | Confident | 76.9 | Confident | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.005 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -73.1 | -47.5 | -179.7 | -51 | -165.4 | 0 | 0 | 0 | 110 | K21 L22 N26 Q27 F39 V43 L79 L82 Y83 L86 | K21-I24 PolarHBondContact O-N 3.03Å; L22-I24 VanDerWaalsContact C-N 3.26Å; L22-I24 PolarHBondContact O-N 3.34Å; I24-N26 VanDerWaalsContact C-N 3.27Å; I24-N26 PolarHBondContact O-N 2.99Å; I24-Q27 WeakPolarHBondContact O-CB 3.49Å; I24-Q27 PolarHBondContact O-N 3.4Å; I24-Q27 VanDerWaalsContact O-N 3.11Å; I24-F39 VanDerWaalsContact CA-CZ 3.48Å; I24-F39 HydrophobicContact CB-CE1 4.25Å; I24-F39 HydrophobicContact CB-CZ 4.19Å; I24-F39 HydrophobicContact CG1-CE1 3.81Å; I24-F39 HydrophobicContact CG1-CZ 3.82Å; I24-F39 HydrophobicContact CG2-CE1 4.45Å; I24-V43 HydrophobicContact CD1-CG1 4.4Å; I24-V43 HydrophobicContact CD1-CG2 4.5Å; I24-V43 HydrophobicContact CG1-CG2 4.08Å; I24-L79 HydrophobicContact CD1-CB 3.91Å; I24-L79 HydrophobicContact CD1-CD2 3.37Å; I24-L79 HydrophobicContact CD1-CG 4.17Å; I24-L79 HydrophobicContact CG1-CD2 3.98Å; I24-L82 HydrophobicContact CB-CB 4.26Å; I24-L82 HydrophobicContact CB-CD1 4.17Å; I24-L82 HydrophobicContact CD1-CB 4.29Å; I24-L82 HydrophobicContact CG2-CB 3.66Å; I24-L82 HydrophobicContact CG2-CD1 4.47Å; I24-Y83 HydrophobicContact CD1-CD2 4.02Å; I24-Y83 HydrophobicContact CD1-CE1 4.22Å; I24-Y83 HydrophobicContact CD1-CE2 3.61Å; I24-Y83 HydrophobicContact CD1-CG 4.48Å; I24-L86 HydrophobicContact CG2-CD1 3.47Å; I24-L86 VanDerWaalsContact CG2-CD1 3.47Å |
| 25 | R | 78.6 | Confident | 75.2 | Confident | 146 Ų | 146 | 77.6 Ų | 77.6 | 55% | 0.551 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.9 | -32 | -178.4 | -69.5 | -179.4 | 178.8 | 170 | 1.7 | 113.6 | K21 L22 Q27 L82 | K21-R25 PolarHBondContact O-N 3.47Å; K21-R25 VanDerWaalsContact O-N 3.1Å; L22-R25 PolarHBondContact O-N 3.12Å; R25-Q27 PolarHBondContact O-N 2.99Å; R25-L82 HydrophobicContact CG-CD1 4.24Å; R25-L82 HydrophobicContact CG-CD2 3.99Å |
| 26 | N | 76.8 | Confident | 73.9 | Confident | 108 Ų | 108 | 76 Ų | 76 | 58% | 0.578 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -0.1 | 179.8 | -68.9 | -16.9 | 0 | 0 | 0 | 113.2 | L22 I24 T28 | L22-N26 WeakPolarHBondContact O-CB 3.26Å; L22-N26 PolarHBondContact O-N 3.2Å; L22-N26 PolarHBondContact O-ND2 2.77Å; I24-N26 VanDerWaalsContact C-N 3.27Å; I24-N26 PolarHBondContact O-N 2.99Å; N26-T28 PolarHBondContact O-N 3.01Å |
| 27 | Q | 66.5 | Low | 73.2 | Confident | 58 Ų | 58 | 80.8 Ų | 80.8 | 27% | 0.271 | 42% | 0.42 | S | S | . | . | trans | -75.2 | 65.8 | 169.8 | -61.2 | -57.1 | -41.3 | 0 | 0 | 110.5 | L23 I24 R25 N29 F39 | L23-Q27 PolarHBondContact O-NE2 3.36Å; I24-Q27 WeakPolarHBondContact O-CB 3.49Å; I24-Q27 PolarHBondContact O-N 3.4Å; I24-Q27 VanDerWaalsContact O-N 3.11Å; R25-Q27 PolarHBondContact O-N 2.99Å; Q27-N29 VanDerWaalsContact C-N 3.26Å; Q27-F39 HydrophobicContact CG-CD1 4.41Å; Q27-F39 HydrophobicContact CG-CD2 4.19Å; Q27-F39 HydrophobicContact CG-CE1 4.18Å; Q27-F39 HydrophobicContact CG-CE2 3.95Å; Q27-F39 HydrophobicContact CG-CG 4.43Å; Q27-F39 HydrophobicContact CG-CZ 3.99Å; Q27-F39 VanDerWaalsContact NE2-CD2 3.29Å | ||
| 28 | T | 58.6 | Low | 72.5 | Confident | 119 Ų | 119 | 82.6 Ų | 82.6 | 73% | 0.73 | 44% | 0.435 | S | S | * | . | trans | -73.3 | -22.5 | 168.8 | 46.8 | 0 | 0 | 0 | 0 | 111.8 | N26 S30 | N26-T28 PolarHBondContact O-N 3.01Å; T28-S30 VanDerWaalsContact C-N 3.33Å; T28-S30 PolarHBondContact O-N 2.96Å | ||
| 29 | N | 59.5 | Low | 71.9 | Confident | 116 Ų | 116 | 80 Ų | 80 | 62% | 0.62 | 42% | 0.42 | S | S | * | . | trans | -82.8 | 78 | 175.9 | -69.4 | -30.6 | 0 | 0 | 0 | 110.2 | Q27 L31 | Q27-N29 VanDerWaalsContact C-N 3.26Å; N29-L31 PolarHBondContact O-N 2.62Å | ||
| 30 | S | 55.2 | Low | 71.5 | Confident | 61 Ų | 61 | 76.8 Ų | 76.8 | 43% | 0.427 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -2.9 | 177.8 | 55.6 | 0 | 0 | 0 | 0 | 115.5 | T28 R90 | T28-S30 VanDerWaalsContact C-N 3.33Å; T28-S30 PolarHBondContact O-N 2.96Å; S30-R90 PolarHBondContact O-NH1 2.99Å |
| 31 | L | 54.6 | Low | 71.4 | Confident | 157 Ų | 157 | 81.7 Ų | 81.7 | 82% | 0.822 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 2.6 | -160.6 | -81.8 | 161.9 | 0 | 0 | 0 | 117 | N29 | N29-L31 PolarHBondContact O-N 2.62Š|
| 32 | C | 56.6 | Low | 71.4 | Confident | 47 Ų | 47 | 83.9 Ų | 83.9 | 32% | 0.318 | 45% | 0.448 | S | S | . | . | trans | -122.5 | 102.1 | 175.8 | -88.3 | 0 | 0 | 0 | 0 | 112.3 | S34 Q35 C36 | C32-S34 PolarHBondContact O-N 3.25Å; C32-Q35 HydrophobicContact CB-CB 3.64Å; C32-Q35 HydrophobicContact CB-CG 3.38Å; C32-Q35 WeakPolarHBondContact O-CA 3.44Å; C32-Q35 VanDerWaalsContact O-CB 3.3Å; C32-Q35 WeakPolarHBondContact O-CB 3.47Å; C32-Q35 PolarHBondContact O-N 3.44Å; C32-Q35 PolarHBondContact SG-NE2 3.48Å; C32-C36 PolarHBondContact O-N 2.98Å | ||
| 33 | I | 49.8 | Very low | 71.6 | Confident | 147 Ų | 147 | 80.1 Ų | 80.1 | 75% | 0.754 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -54.4 | -35.4 | 170.8 | -69.3 | 163.1 | 0 | 0 | 0 | 111.5 | Q35 | I33-Q35 VanDerWaalsContact C-N 3.3Å |
| 34 | S | 54.7 | Low | 72.1 | Confident | 90 Ų | 90 | 82.1 Ų | 82.1 | 63% | 0.629 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -69 | -29.2 | 173.7 | 56.1 | 0 | 0 | 0 | 0 | 113 | C32 A38 | C32-S34 PolarHBondContact O-N 3.25Å; S34-A38 WeakPolarHBondContact O-CB 3.4Å; S34-A38 PolarHBondContact O-N 3.26Å |
| 35 | Q | 60.4 | Low | 72.8 | Confident | 86 Ų | 86 | 86.4 Ų | 86.4 | 40% | 0.402 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -71 | -41.5 | 177.2 | -72.7 | 173.3 | 24.3 | 0 | 0 | 110 | C32 I33 K37 A38 F39 | C32-Q35 HydrophobicContact CB-CB 3.64Å; C32-Q35 HydrophobicContact CB-CG 3.38Å; C32-Q35 WeakPolarHBondContact O-CA 3.44Å; C32-Q35 VanDerWaalsContact O-CB 3.3Å; C32-Q35 WeakPolarHBondContact O-CB 3.47Å; C32-Q35 PolarHBondContact O-N 3.44Å; C32-Q35 PolarHBondContact SG-NE2 3.48Å; I33-Q35 VanDerWaalsContact C-N 3.3Å; Q35-K37 PolarHBondContact O-N 3.43Å; Q35-A38 PolarHBondContact O-N 3.5Å; Q35-F39 WeakPolarHBondContact O-CA 3.43Å; Q35-F39 WeakPolarHBondContact O-CB 3.36Å; Q35-F39 PolarHBondContact O-N 3.02Å |
| 36 | C | 69.5 | Low | 73.6 | Confident | 39 Ų | 39 | 83.8 Ų | 83.8 | 26% | 0.264 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -56.5 | -48.1 | 179.8 | -70.1 | 0 | 0 | 0 | 0 | 113.3 | C32 F39 E40 | C32-C36 PolarHBondContact O-N 2.98Å; C36-F39 CarbonylContact O-C 3.58Å; C36-F39 WeakPolarHBondContact O-CB 3.49Å; C36-F39 PolarHBondContact O-N 3.44Å; C36-E40 WeakPolarHBondContact O-CB 3.39Å; C36-E40 WeakPolarHBondContact O-CG 3.48Å; C36-E40 PolarHBondContact O-N 2.88Å |
| 37 | K | 79.3 | Confident | 74.6 | Confident | 137 Ų | 137 | 80.2 Ų | 80.2 | 60% | 0.596 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -66.9 | -48.4 | 178.5 | -176 | 179.6 | 177.1 | -177.7 | 0 | 112.4 | Q35 F39 E40 E41 | Q35-K37 PolarHBondContact O-N 3.43Å; K37-F39 PolarHBondContact O-N 3Å; K37-E40 PolarHBondContact O-N 3.25Å; K37-E41 WeakPolarHBondContact O-CG 3.46Å; K37-E41 PolarHBondContact O-N 3.31Å |
| 38 | A | 82.3 | Confident | 76.1 | Confident | 50 Ų | 50 | 84.6 Ų | 84.6 | 41% | 0.413 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.1 | -29.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S34 Q35 V42 | S34-A38 WeakPolarHBondContact O-CB 3.4Å; S34-A38 PolarHBondContact O-N 3.26Å; Q35-A38 PolarHBondContact O-N 3.5Å; A38-V42 VanDerWaalsContact O-CG2 3.31Å; A38-V42 WeakPolarHBondContact O-CG2 3.46Å; A38-V42 PolarHBondContact O-N 3.45Å; A38-V42 VanDerWaalsContact O-N 3.09Å |
| 39 | F | 82.5 | Confident | 78 | Confident | 22 Ų | 22 | 80.4 Ų | 80.4 | 10% | 0.096 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -75.8 | -41.7 | 177.7 | 176.3 | -95.3 | 0 | 0 | 0 | 111.7 | L23 I24 Q27 Q35 C36 K37 E41 V42 V43 Y83 | L23-F39 HydrophobicContact CB-CE2 3.81Å; L23-F39 HydrophobicContact CB-CZ 3.84Å; L23-F39 WeakPolarHBondContact O-CE2 3.41Å; L23-F39 WeakPolarHBondContact O-CZ 3.46Å; I24-F39 VanDerWaalsContact CA-CZ 3.48Å; I24-F39 HydrophobicContact CB-CE1 4.25Å; I24-F39 HydrophobicContact CB-CZ 4.19Å; I24-F39 HydrophobicContact CG1-CE1 3.81Å; I24-F39 HydrophobicContact CG1-CZ 3.82Å; I24-F39 HydrophobicContact CG2-CE1 4.45Å; Q27-F39 HydrophobicContact CG-CD1 4.41Å; Q27-F39 HydrophobicContact CG-CD2 4.19Å; Q27-F39 HydrophobicContact CG-CE1 4.18Å; Q27-F39 HydrophobicContact CG-CE2 3.95Å; Q27-F39 HydrophobicContact CG-CG 4.43Å; Q27-F39 HydrophobicContact CG-CZ 3.99Å; Q27-F39 VanDerWaalsContact NE2-CD2 3.29Å; Q35-F39 WeakPolarHBondContact O-CA 3.43Å; Q35-F39 WeakPolarHBondContact O-CB 3.36Å; Q35-F39 PolarHBondContact O-N 3.02Å; C36-F39 CarbonylContact O-C 3.58Å; C36-F39 WeakPolarHBondContact O-CB 3.49Å; C36-F39 PolarHBondContact O-N 3.44Å; K37-F39 PolarHBondContact O-N 3Å; F39-E41 VanDerWaalsContact C-N 3.27Å; F39-E41 PolarHBondContact O-N 3.45Å; F39-V42 CarbonylContact O-C 3.57Å; F39-V42 WeakPolarHBondContact O-CA 3.25Å; F39-V42 WeakPolarHBondContact O-CB 3.37Å; F39-V42 PolarHBondContact O-N 2.81Å; F39-V43 HydrophobicContact CD1-CG2 4.09Å; F39-V43 HydrophobicContact CE1-CG2 3.45Å; F39-V43 VanDerWaalsContact CE1-CG2 3.45Å; F39-V43 HydrophobicContact CE2-CG2 4.05Å; F39-V43 HydrophobicContact CZ-CG2 3.37Å; F39-V43 WeakPolarHBondContact O-CG2 3.44Å; F39-V43 PolarHBondContact O-N 3.23Å; F39-Y83 HydrophobicContact CD1-CE1 4.32Å; F39-Y83 HydrophobicContact CE1-CE1 4.18Å |
| 40 | E | 85.4 | Confident | 79.8 | Confident | 60 Ų | 60 | 75.1 Ų | 75.1 | 28% | 0.28 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -54.4 | -46.9 | 169.4 | -78.4 | 171 | -177.6 | 0 | 0 | 109.8 | C36 K37 V42 V43 D44 Y83 Y87 | C36-E40 WeakPolarHBondContact O-CB 3.39Å; C36-E40 WeakPolarHBondContact O-CG 3.48Å; C36-E40 PolarHBondContact O-N 2.88Å; K37-E40 PolarHBondContact O-N 3.25Å; E40-V42 VanDerWaalsContact C-N 3.3Å; E40-V42 PolarHBondContact O-N 3.47Å; E40-V43 PolarHBondContact O-N 2.95Å; E40-V43 VanDerWaalsContact O-N 3.16Å; E40-D44 WeakPolarHBondContact O-CB 3.34Å; E40-D44 VanDerWaalsContact O-CG 3.25Å; E40-D44 PolarHBondContact O-N 2.95Å; E40-Y83 HydrophobicContact CG-CE1 3.81Å; E40-Y87 PolarHBondContact OE1-OH 2.91Å |
| 41 | E | 89.5 | Confident | 81.9 | Confident | 109 Ų | 109 | 73.9 Ų | 73.9 | 51% | 0.509 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.5 | -37.1 | 175.3 | -68.9 | 173.3 | -172.1 | 0 | 0 | 112.9 | K37 F39 T45 | K37-E41 WeakPolarHBondContact O-CG 3.46Å; K37-E41 PolarHBondContact O-N 3.31Å; F39-E41 VanDerWaalsContact C-N 3.27Å; F39-E41 PolarHBondContact O-N 3.45Å; E41-T45 WeakPolarHBondContact O-CB 3.32Å; E41-T45 PolarHBondContact O-N 3.41Å; E41-T45 PolarHBondContact O-OG1 2.9Å |
| 42 | V | 89.8 | Confident | 83.9 | Confident | 68 Ų | 68 | 72.5 Ų | 72.5 | 41% | 0.412 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.9 | -46.7 | 174.2 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | L23 A38 F39 E40 D44 T45 Q46 | L23-V42 HydrophobicContact CD1-CG1 4.46Å; A38-V42 VanDerWaalsContact O-CG2 3.31Å; A38-V42 WeakPolarHBondContact O-CG2 3.46Å; A38-V42 PolarHBondContact O-N 3.45Å; A38-V42 VanDerWaalsContact O-N 3.09Å; F39-V42 CarbonylContact O-C 3.57Å; F39-V42 WeakPolarHBondContact O-CA 3.25Å; F39-V42 WeakPolarHBondContact O-CB 3.37Å; F39-V42 PolarHBondContact O-N 2.81Å; E40-V42 VanDerWaalsContact C-N 3.3Å; E40-V42 PolarHBondContact O-N 3.47Å; V42-D44 VanDerWaalsContact C-N 3.34Å; V42-D44 PolarHBondContact O-N 2.82Å; V42-T45 PolarHBondContact O-N 3.15Å; V42-Q46 VanDerWaalsContact O-CG 3.27Å; V42-Q46 WeakPolarHBondContact O-CG 3.48Å; V42-Q46 PolarHBondContact O-N 2.95Å |
| 43 | V | 90.8 | Very high | 85.8 | Confident | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.006 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.1 | -43 | 178.2 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | I20 I24 F39 E40 T45 Q46 M47 L79 Y83 | I20-V43 HydrophobicContact CG2-CG1 4.34Å; I24-V43 HydrophobicContact CD1-CG1 4.4Å; I24-V43 HydrophobicContact CD1-CG2 4.5Å; I24-V43 HydrophobicContact CG1-CG2 4.08Å; F39-V43 HydrophobicContact CD1-CG2 4.09Å; F39-V43 HydrophobicContact CE1-CG2 3.45Å; F39-V43 VanDerWaalsContact CE1-CG2 3.45Å; F39-V43 HydrophobicContact CE2-CG2 4.05Å; F39-V43 HydrophobicContact CZ-CG2 3.37Å; F39-V43 WeakPolarHBondContact O-CG2 3.44Å; F39-V43 PolarHBondContact O-N 3.23Å; E40-V43 PolarHBondContact O-N 2.95Å; E40-V43 VanDerWaalsContact O-N 3.16Å; V43-T45 VanDerWaalsContact C-N 3.33Å; V43-T45 PolarHBondContact O-N 3.03Å; V43-Q46 WeakPolarHBondContact O-CB 3.33Å; V43-Q46 PolarHBondContact O-N 3.09Å; V43-Q46 VanDerWaalsContact O-N 3.15Å; V43-M47 HydrophobicContact CG1-CG 4.5Å; V43-M47 WeakPolarHBondContact O-CG 3.32Å; V43-M47 PolarHBondContact O-N 3.28Å; V43-L79 HydrophobicContact CG1-CD1 3.83Å; V43-L79 HydrophobicContact CG1-CD2 4.41Å; V43-Y83 WeakPolarHBondContact CB-OH 3.44Å; V43-Y83 HydrophobicContact CG1-CE2 4.49Å; V43-Y83 WeakPolarHBondContact CG2-OH 3.35Å |
| 44 | D | 93.7 | Very high | 88.1 | Confident | 102 Ų | 102 | 67 Ų | 67 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61 | -42.6 | 176.4 | -74 | -13.7 | 0 | 0 | 0 | 111.7 | E40 V42 Q46 M47 Y48 | E40-D44 WeakPolarHBondContact O-CB 3.34Å; E40-D44 VanDerWaalsContact O-CG 3.25Å; E40-D44 PolarHBondContact O-N 2.95Å; V42-D44 VanDerWaalsContact C-N 3.34Å; V42-D44 PolarHBondContact O-N 2.82Å; D44-Q46 VanDerWaalsContact C-N 3.31Å; D44-Q46 PolarHBondContact O-N 2.97Å; D44-M47 PolarHBondContact O-N 3.01Å; D44-Y48 PolarHBondContact O-N 2.91Å |
| 45 | T | 96 | Very high | 90.1 | Very high | 92 Ų | 92 | 66.6 Ų | 66.6 | 56% | 0.564 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.9 | -40.6 | 175.7 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | E41 V42 V43 Y48 G49 | E41-T45 WeakPolarHBondContact O-CB 3.32Å; E41-T45 PolarHBondContact O-N 3.41Å; E41-T45 PolarHBondContact O-OG1 2.9Å; V42-T45 PolarHBondContact O-N 3.15Å; V43-T45 VanDerWaalsContact C-N 3.33Å; V43-T45 PolarHBondContact O-N 3.03Å; T45-Y48 PolarHBondContact O-N 3.32Å; T45-G49 PolarHBondContact O-N 3.39Å |
| 46 | Q | 95.4 | Very high | 91.8 | Very high | 91 Ų | 91 | 69 Ų | 69 | 43% | 0.425 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.6 | -40.5 | 176.5 | -66.3 | -66.2 | -31.7 | 0 | 0 | 111.7 | I20 L23 V42 V43 D44 Y48 G49 F50 | I20-Q46 HydrophobicContact CD1-CB 3.98Å; I20-Q46 HydrophobicContact CG1-CB 3.92Å; I20-Q46 HydrophobicContact CG2-CB 4.32Å; L23-Q46 HydrophobicContact CD1-CG 3.82Å; V42-Q46 VanDerWaalsContact O-CG 3.27Å; V42-Q46 WeakPolarHBondContact O-CG 3.48Å; V42-Q46 PolarHBondContact O-N 2.95Å; V43-Q46 WeakPolarHBondContact O-CB 3.33Å; V43-Q46 PolarHBondContact O-N 3.09Å; V43-Q46 VanDerWaalsContact O-N 3.15Å; D44-Q46 VanDerWaalsContact C-N 3.31Å; D44-Q46 PolarHBondContact O-N 2.97Å; Q46-Y48 VanDerWaalsContact C-N 3.34Å; Q46-Y48 PolarHBondContact O-N 3.35Å; Q46-G49 PolarHBondContact O-N 3.05Å; Q46-F50 WeakPolarHBondContact O-CB 3.42Å; Q46-F50 PolarHBondContact O-N 3.27Å |
| 47 | M | 97.1 | Very high | 93 | Very high | 32 Ų | 32 | 67.4 Ų | 67.4 | 16% | 0.158 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 173.2 | -79.4 | -60.3 | -69 | 0 | 0 | 111.9 | I20 V43 D44 F50 S51 L75 E76 L79 | I20-M47 HydrophobicContact CD1-SD 4.43Å; I20-M47 HydrophobicContact CG2-SD 4.38Å; V43-M47 HydrophobicContact CG1-CG 4.5Å; V43-M47 WeakPolarHBondContact O-CG 3.32Å; V43-M47 PolarHBondContact O-N 3.28Å; D44-M47 PolarHBondContact O-N 3.01Å; M47-F50 PolarHBondContact O-N 3.49Å; M47-S51 WeakPolarHBondContact O-CB 2.79Å; M47-S51 PolarHBondContact O-N 2.97Å; M47-L75 HydrophobicContact CE-CB 4.46Å; M47-L75 HydrophobicContact CE-CD2 4.1Å; M47-L75 HydrophobicContact CE-CG 4.13Å; M47-L75 HydrophobicContact SD-CD2 3.32Å; M47-L75 WeakPolarHBondContact SD-CD2 3.31Å; M47-L75 HydrophobicContact SD-CG 3.59Å; M47-L75 VanDerWaalsContact SD-CG 3.59Å; M47-E76 HydrophobicContact CE-CB 4.33Å; M47-L79 HydrophobicContact CE-CD1 4.37Å; M47-L79 HydrophobicContact CG-CD1 3.61Å; M47-L79 HydrophobicContact SD-CD1 3.44Å; M47-L79 WeakPolarHBondContact SD-CD1 3.27Å |
| 48 | Y | 97.8 | Very high | 93.8 | Very high | 151 Ų | 151 | 64 Ų | 64 | 59% | 0.592 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59.8 | -49.5 | 172.5 | 177.6 | -102.4 | 0 | 0 | 0 | 111.2 | D44 T45 Q46 F50 S51 R52 | D44-Y48 PolarHBondContact O-N 2.91Å; T45-Y48 PolarHBondContact O-N 3.32Å; Q46-Y48 VanDerWaalsContact C-N 3.34Å; Q46-Y48 PolarHBondContact O-N 3.35Å; Y48-F50 PolarHBondContact O-N 3.45Å; Y48-S51 WeakPolarHBondContact O-CB 3.42Å; Y48-S51 PolarHBondContact O-N 3.33Å; Y48-S51 PolarHBondContact O-OG 3.32Å; Y48-R52 HydrophobicContact CD1-CG 4.43Å; Y48-R52 HydrophobicContact CE1-CG 4Å; Y48-R52 HydrophobicContact CE2-CG 4.42Å; Y48-R52 WeakPolarHBondContact O-CG 3.42Å; Y48-R52 PolarHBondContact O-N 3.03Å; Y48-R52 VanDerWaalsContact O-N 3.13Å |
| 49 | G | 97.7 | Very high | 94.3 | Very high | 31 Ų | 31 | 68.6 Ų | 68.6 | 32% | 0.32 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -54.9 | -48.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T45 Q46 S51 R52 Q53 | T45-G49 PolarHBondContact O-N 3.39Å; Q46-G49 PolarHBondContact O-N 3.05Å; G49-S51 PolarHBondContact O-N 3.42Å; G49-R52 WeakPolarHBondContact O-CB 3.35Å; G49-R52 PolarHBondContact O-N 3.26Å; G49-R52 VanDerWaalsContact O-N 3.14Å; G49-Q53 PolarHBondContact O-N 3.25Å |
| 50 | F | 98.2 | Very high | 94.8 | Very high | 5 Ų | 5 | 71.2 Ų | 71.2 | 2% | 0.022 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 176.6 | -179.3 | -114.1 | 0 | 0 | 0 | 112.2 | L13 D16 A17 I20 Q46 M47 Y48 R52 Q53 V54 M71 L72 L75 | L13-F50 HydrophobicContact CB-CE2 4.22Å; L13-F50 HydrophobicContact CD2-CE2 4.09Å; L13-F50 VanDerWaalsContact O-CE2 3.25Å; L13-F50 WeakPolarHBondContact O-CE2 3.47Å; D16-F50 HydrophobicContact CB-CD2 4.24Å; D16-F50 HydrophobicContact CB-CE2 4.48Å; A17-F50 HydrophobicContact CB-CE1 4.41Å; A17-F50 HydrophobicContact CB-CE2 4.14Å; A17-F50 HydrophobicContact CB-CZ 3.92Å; I20-F50 HydrophobicContact CD1-CB 3.71Å; I20-F50 HydrophobicContact CD1-CG 4.21Å; Q46-F50 WeakPolarHBondContact O-CB 3.42Å; Q46-F50 PolarHBondContact O-N 3.27Å; M47-F50 PolarHBondContact O-N 3.49Å; Y48-F50 PolarHBondContact O-N 3.45Å; F50-R52 PolarHBondContact O-N 3.06Å; F50-Q53 WeakPolarHBondContact O-CB 3.47Å; F50-Q53 PolarHBondContact O-N 3.22Å; F50-V54 HydrophobicContact CD1-CG2 4.21Å; F50-V54 HydrophobicContact CD2-CG2 4.36Å; F50-V54 HydrophobicContact CE1-CG2 3.77Å; F50-V54 HydrophobicContact CE2-CG2 3.93Å; F50-V54 HydrophobicContact CG-CG2 4.48Å; F50-V54 HydrophobicContact CZ-CG2 3.62Å; F50-V54 WeakPolarHBondContact O-CG2 3.47Å; F50-V54 PolarHBondContact O-N 3.16Å; F50-M71 HydrophobicContact CE1-CB 4.5Å; F50-M71 HydrophobicContact CZ-CB 4.39Å; F50-L72 HydrophobicContact CD1-CD2 3.59Å; F50-L72 HydrophobicContact CE1-CD2 3.83Å; F50-L75 HydrophobicContact CD1-CD2 3.55Å; F50-L75 HydrophobicContact CE1-CD2 3.7Å; F50-L75 HydrophobicContact CG-CD2 4.26Å |
| 51 | S | 98.1 | Very high | 95.1 | Very high | 35 Ų | 35 | 71 Ų | 71 | 25% | 0.245 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.5 | -35.4 | 175.3 | 82.5 | 0 | 0 | 0 | 0 | 112.9 | M47 Y48 G49 F55 | M47-S51 WeakPolarHBondContact O-CB 2.79Å; M47-S51 PolarHBondContact O-N 2.97Å; Y48-S51 WeakPolarHBondContact O-CB 3.42Å; Y48-S51 PolarHBondContact O-N 3.33Å; Y48-S51 PolarHBondContact O-OG 3.32Å; G49-S51 PolarHBondContact O-N 3.42Å; S51-F55 VanDerWaalsContact O-CB 3.29Å; S51-F55 WeakPolarHBondContact O-CB 3.41Å; S51-F55 PolarHBondContact O-N 2.81Å |
| 52 | R | 98 | Very high | 95.3 | Very high | 128 Ų | 128 | 67.5 Ų | 67.5 | 48% | 0.483 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.5 | -38.2 | 176.7 | -60.9 | -52.9 | -61.8 | 173.8 | -5.1 | 112.1 | Y48 G49 F50 F56 | Y48-R52 HydrophobicContact CD1-CG 4.43Å; Y48-R52 HydrophobicContact CE1-CG 4Å; Y48-R52 HydrophobicContact CE2-CG 4.42Å; Y48-R52 WeakPolarHBondContact O-CG 3.42Å; Y48-R52 PolarHBondContact O-N 3.03Å; Y48-R52 VanDerWaalsContact O-N 3.13Å; G49-R52 WeakPolarHBondContact O-CB 3.35Å; G49-R52 PolarHBondContact O-N 3.26Å; G49-R52 VanDerWaalsContact O-N 3.14Å; F50-R52 PolarHBondContact O-N 3.06Å; R52-F56 WeakPolarHBondContact O-CB 3.27Å; R52-F56 PolarHBondContact O-N 2.76Å |
| 53 | Q | 96.9 | Very high | 95.4 | Very high | 76 Ų | 76 | 64.5 Ų | 64.5 | 36% | 0.355 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.4 | -46.1 | 175.5 | -62.8 | 175 | -7.2 | 0 | 0 | 111.4 | L13 D16 G49 F50 F55 F56 A57 | L13-Q53 HydrophobicContact CD2-CB 3.85Å; D16-Q53 PolarHBondContact OD2-NE2 3.44Å; D16-Q53 PolarHBondContact OD2-OE1 3.22Å; G49-Q53 PolarHBondContact O-N 3.25Å; F50-Q53 WeakPolarHBondContact O-CB 3.47Å; F50-Q53 PolarHBondContact O-N 3.22Å; Q53-F55 PolarHBondContact O-N 3.48Å; Q53-F56 WeakPolarHBondContact O-CB 3.42Å; Q53-F56 PolarHBondContact O-N 3.21Å; Q53-A57 PolarHBondContact O-N 2.9Å |
| 54 | V | 97.7 | Very high | 95.5 | Very high | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.012 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.9 | -48.2 | 175.7 | 168.9 | 0 | 0 | 0 | 0 | 110.8 | L13 F50 F56 A57 E58 L63 L72 | L13-V54 HydrophobicContact CD2-CG2 4.24Å; F50-V54 HydrophobicContact CD1-CG2 4.21Å; F50-V54 HydrophobicContact CD2-CG2 4.36Å; F50-V54 HydrophobicContact CE1-CG2 3.77Å; F50-V54 HydrophobicContact CE2-CG2 3.93Å; F50-V54 HydrophobicContact CG-CG2 4.48Å; F50-V54 HydrophobicContact CZ-CG2 3.62Å; F50-V54 WeakPolarHBondContact O-CG2 3.47Å; F50-V54 PolarHBondContact O-N 3.16Å; V54-F56 VanDerWaalsContact C-N 3.31Å; V54-F56 PolarHBondContact O-N 3.4Å; V54-A57 PolarHBondContact O-N 3.15Å; V54-A57 VanDerWaalsContact O-N 3.14Å; V54-E58 PolarHBondContact O-N 3.39Å; V54-L63 HydrophobicContact CG1-CD1 4.03Å; V54-L72 HydrophobicContact CG1-CD1 4.26Å; V54-L72 HydrophobicContact CG1-CG 4.39Å; V54-L72 HydrophobicContact CG2-CD2 4.39Å |
| 55 | F | 96.1 | Very high | 95.2 | Very high | 81 Ų | 81 | 79.2 Ų | 79.2 | 36% | 0.355 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62 | -37.5 | 177.5 | -180 | -111.1 | 0 | 0 | 0 | 112.9 | S51 Q53 K59 | S51-F55 VanDerWaalsContact O-CB 3.29Å; S51-F55 WeakPolarHBondContact O-CB 3.41Å; S51-F55 PolarHBondContact O-N 2.81Å; Q53-F55 PolarHBondContact O-N 3.48Å; F55-K59 HydrophobicContact CD1-CD 4.19Å; F55-K59 HydrophobicContact CE1-CD 3.76Å; F55-K59 HydrophobicContact CZ-CD 4.01Å; F55-K59 VanDerWaalsContact CZ-NZ 3.3Å; F55-K59 WeakPolarHBondContact O-CG 3.31Å; F55-K59 PolarHBondContact O-N 3.21Å; F55-K59 VanDerWaalsContact O-N 3.11Å |
| 56 | F | 95.9 | Very high | 95 | Very high | 136 Ų | 136 | 76.6 Ų | 76.6 | 60% | 0.596 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.3 | -46.8 | 173 | 175.2 | -97.4 | 0 | 0 | 0 | 111.1 | R52 Q53 V54 E58 K59 V60 | R52-F56 WeakPolarHBondContact O-CB 3.27Å; R52-F56 PolarHBondContact O-N 2.76Å; Q53-F56 WeakPolarHBondContact O-CB 3.42Å; Q53-F56 PolarHBondContact O-N 3.21Å; V54-F56 VanDerWaalsContact C-N 3.31Å; V54-F56 PolarHBondContact O-N 3.4Å; F56-E58 VanDerWaalsContact C-N 3.34Å; F56-E58 PolarHBondContact O-N 2.74Å; F56-K59 WeakPolarHBondContact O-CB 3.38Å; F56-K59 PolarHBondContact O-N 2.9Å; F56-K59 VanDerWaalsContact O-N 3.09Å; F56-V60 HydrophobicContact CD2-CG1 4.41Å; F56-V60 HydrophobicContact CE1-CG1 4.12Å; F56-V60 HydrophobicContact CE1-CG2 4.3Å; F56-V60 HydrophobicContact CE2-CG1 3.9Å; F56-V60 HydrophobicContact CZ-CG1 3.74Å; F56-V60 WeakPolarHBondContact O-CG2 3.45Å; F56-V60 PolarHBondContact O-N 3.28Å |
| 57 | A | 95.5 | Very high | 94.9 | Very high | 7 Ų | 7 | 75.4 Ų | 75.4 | 6% | 0.058 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L13 Q53 V54 G61 I62 L63 | L13-A57 HydrophobicContact CD1-CB 3.95Å; Q53-A57 PolarHBondContact O-N 2.9Å; V54-A57 PolarHBondContact O-N 3.15Å; V54-A57 VanDerWaalsContact O-N 3.14Å; A57-G61 PolarHBondContact O-N 3.35Å; A57-I62 HydrophobicContact CB-CB 4.22Å; A57-I62 HydrophobicContact CB-CG2 4.2Å; A57-I62 WeakPolarHBondContact O-CB 3.46Å; A57-I62 PolarHBondContact O-N 3Å; A57-L63 HydrophobicContact CB-CD1 3.83Å; A57-L63 HydrophobicContact CB-CG 3.77Å; A57-L63 PolarHBondContact O-N 3.12Å |
| 58 | E | 94.7 | Very high | 94.8 | Very high | 65 Ų | 65 | 73.9 Ų | 73.9 | 30% | 0.304 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 170.5 | -73.4 | -173.8 | 147.9 | 0 | 0 | 111.8 | V54 F56 V60 G61 L63 G68 | V54-E58 PolarHBondContact O-N 3.39Å; F56-E58 VanDerWaalsContact C-N 3.34Å; F56-E58 PolarHBondContact O-N 2.74Å; E58-V60 VanDerWaalsContact C-N 3.34Å; E58-V60 PolarHBondContact O-N 2.96Å; E58-G61 PolarHBondContact O-N 3.46Å; E58-G61 VanDerWaalsContact O-N 3.14Å; E58-L63 HydrophobicContact CB-CB 4.47Å; E58-L63 HydrophobicContact CG-CB 3.71Å; E58-L63 HydrophobicContact CG-CD1 4.09Å; E58-G68 WeakPolarHBondContact OE1-CA 2.92Å; E58-G68 PolarHBondContact OE1-N 2.77Å |
| 59 | K | 94.2 | Very high | 94.8 | Very high | 146 Ų | 146 | 72.3 Ų | 72.3 | 64% | 0.635 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65 | -34 | -179 | -82.4 | -174.3 | 164.6 | -178.7 | 0 | 114.2 | F55 F56 G61 | F55-K59 HydrophobicContact CD1-CD 4.19Å; F55-K59 HydrophobicContact CE1-CD 3.76Å; F55-K59 HydrophobicContact CZ-CD 4.01Å; F55-K59 VanDerWaalsContact CZ-NZ 3.3Å; F55-K59 WeakPolarHBondContact O-CG 3.31Å; F55-K59 PolarHBondContact O-N 3.21Å; F55-K59 VanDerWaalsContact O-N 3.11Å; F56-K59 WeakPolarHBondContact O-CB 3.38Å; F56-K59 PolarHBondContact O-N 2.9Å; F56-K59 VanDerWaalsContact O-N 3.09Å; K59-G61 VanDerWaalsContact C-N 3.27Å |
| 60 | V | 92.9 | Very high | 94.7 | Very high | 78 Ų | 78 | 77 Ų | 77 | 47% | 0.473 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 3.7 | 177.7 | -57.7 | 0 | 0 | 0 | 0 | 112.9 | F56 E58 I62 | F56-V60 HydrophobicContact CD2-CG1 4.41Å; F56-V60 HydrophobicContact CE1-CG1 4.12Å; F56-V60 HydrophobicContact CE1-CG2 4.3Å; F56-V60 HydrophobicContact CE2-CG1 3.9Å; F56-V60 HydrophobicContact CZ-CG1 3.74Å; F56-V60 WeakPolarHBondContact O-CG2 3.45Å; F56-V60 PolarHBondContact O-N 3.28Å; E58-V60 VanDerWaalsContact C-N 3.34Å; E58-V60 PolarHBondContact O-N 2.96Å; V60-I62 VanDerWaalsContact C-N 3.3Å; V60-I62 HydrophobicContact CG2-CB 4.22Å; V60-I62 HydrophobicContact CG2-CD1 3.53Å; V60-I62 HydrophobicContact CG2-CG1 3.77Å; V60-I62 PolarHBondContact O-N 3.49Å |
| 61 | G | 91.4 | Very high | 94.6 | Very high | 56 Ų | 56 | 78.1 Ų | 78.1 | 58% | 0.577 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 15 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A57 E58 K59 | A57-G61 PolarHBondContact O-N 3.35Å; E58-G61 PolarHBondContact O-N 3.46Å; E58-G61 VanDerWaalsContact O-N 3.14Å; K59-G61 VanDerWaalsContact C-N 3.27Å |
| 62 | I | 92.9 | Very high | 94.6 | Very high | 34 Ų | 34 | 78.1 Ų | 78.1 | 17% | 0.174 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -70.1 | -45.1 | 171.7 | -75.6 | 167.6 | 0 | 0 | 0 | 109.6 | A9 A57 V60 | A9-I62 HydrophobicContact CB-CD1 3.78Å; A9-I62 HydrophobicContact CB-CG1 4.31Å; A9-I62 HydrophobicContact CB-CG2 3.48Å; A9-I62 VanDerWaalsContact CB-CG2 3.48Å; A57-I62 HydrophobicContact CB-CB 4.22Å; A57-I62 HydrophobicContact CB-CG2 4.2Å; A57-I62 WeakPolarHBondContact O-CB 3.46Å; A57-I62 PolarHBondContact O-N 3Å; V60-I62 VanDerWaalsContact C-N 3.3Å; V60-I62 HydrophobicContact CG2-CB 4.22Å; V60-I62 HydrophobicContact CG2-CD1 3.53Å; V60-I62 HydrophobicContact CG2-CG1 3.77Å; V60-I62 PolarHBondContact O-N 3.49Å |
| 63 | L | 93.7 | Very high | 94.6 | Very high | 6 Ų | 6 | 74.4 Ų | 74.4 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -98.6 | 135.1 | 176.3 | -61.1 | -176.1 | 0 | 0 | 0 | 110.8 | I10 L13 V54 A57 E58 E67 M71 | I10-L63 HydrophobicContact CD1-CD2 4.21Å; I10-L63 HydrophobicContact CG1-CD2 3.62Å; L13-L63 HydrophobicContact CD1-CD1 3.89Å; L13-L63 HydrophobicContact CD1-CD2 4.21Å; L13-L63 HydrophobicContact CD1-CG 4.29Å; V54-L63 HydrophobicContact CG1-CD1 4.03Å; A57-L63 HydrophobicContact CB-CD1 3.83Å; A57-L63 HydrophobicContact CB-CG 3.77Å; A57-L63 PolarHBondContact O-N 3.12Å; E58-L63 HydrophobicContact CB-CB 4.47Å; E58-L63 HydrophobicContact CG-CB 3.71Å; E58-L63 HydrophobicContact CG-CD1 4.09Å; L63-E67 HydrophobicContact CB-CB 4.34Å; L63-E67 HydrophobicContact CD2-CB 4.48Å; L63-M71 HydrophobicContact CD1-CE 3.58Å; L63-M71 HydrophobicContact CD2-CE 3.38Å; L63-M71 HydrophobicContact CG-CE 4.09Å |
| 64 | K | 91.5 | Very high | 94.6 | Very high | 155 Ų | 155 | 75.3 Ų | 75.3 | 67% | 0.674 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 157.5 | 169.6 | -60.1 | 174.1 | -174.8 | 165 | 0 | 109.5 | G66 E67 | K64-G66 PolarHBondContact O-N 3.26Å; K64-G66 VanDerWaalsContact O-N 3.13Å; K64-E67 HydrophobicContact CB-CG 4.09Å; K64-E67 WeakPolarHBondContact CB-OE2 3.48Å; K64-E67 PolarHBondContact N-OE2 3.37Å; K64-E67 WeakPolarHBondContact O-CB 3.35Å; K64-E67 PolarHBondContact O-N 3.27Å |
| 65 | R | 88 | Confident | 94.6 | Very high | 256 Ų | 256 | 75.4 Ų | 75.4 | 97% | 0.966 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 121.6 | 176.8 | -174 | 178.5 | -176.7 | 177.7 | 0.8 | 110.7 | ||
| 66 | G | 91.5 | Very high | 94.6 | Very high | 38 Ų | 38 | 76.6 Ų | 76.6 | 39% | 0.392 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | -15.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | K64 G68 K70 | K64-G66 PolarHBondContact O-N 3.26Å; K64-G66 VanDerWaalsContact O-N 3.13Å; G66-G68 VanDerWaalsContact C-N 3.35Å; G66-K70 WeakPolarHBondContact O-CB 3.45Å; G66-K70 PolarHBondContact O-N 3.36Å |
| 67 | E | 93.7 | Very high | 94.6 | Very high | 66 Ų | 66 | 72.1 Ų | 72.1 | 31% | 0.308 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 173.5 | -70.4 | 179.8 | 158.7 | 0 | 0 | 111 | L63 K64 K70 M71 | L63-E67 HydrophobicContact CB-CB 4.34Å; L63-E67 HydrophobicContact CD2-CB 4.48Å; K64-E67 HydrophobicContact CB-CG 4.09Å; K64-E67 WeakPolarHBondContact CB-OE2 3.48Å; K64-E67 PolarHBondContact N-OE2 3.37Å; K64-E67 WeakPolarHBondContact O-CB 3.35Å; K64-E67 PolarHBondContact O-N 3.27Å; E67-K70 PolarHBondContact O-N 3.48Å; E67-M71 HydrophobicContact CB-CE 4.12Å; E67-M71 WeakPolarHBondContact O-CE 3.47Å; E67-M71 WeakPolarHBondContact O-CG 3.39Å; E67-M71 PolarHBondContact O-N 3.29Å |
| 68 | G | 95.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E58 G66 K70 M71 L72 | E58-G68 WeakPolarHBondContact OE1-CA 2.92Å; E58-G68 PolarHBondContact OE1-N 2.77Å; G66-G68 VanDerWaalsContact C-N 3.35Å; G68-K70 VanDerWaalsContact C-N 3.28Å; G68-K70 PolarHBondContact O-N 3.3Å; G68-M71 PolarHBondContact O-N 2.68Å; G68-L72 WeakPolarHBondContact O-CG 2.81Å; G68-L72 PolarHBondContact O-N 3.38Å |
| 69 | Q | 96 | Very high | 94.4 | Very high | 117 Ų | 117 | 72.2 Ų | 72.2 | 55% | 0.547 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.4 | -42.1 | 175.3 | -176.5 | 59.6 | 44.1 | 0 | 0 | 111.9 | L72 S73 | Q69-L72 PolarHBondContact O-N 3.17Å; Q69-S73 PolarHBondContact NE2-OG 2.99Å; Q69-S73 VanDerWaalsContact NE2-OG 3.12Å; Q69-S73 WeakPolarHBondContact O-CB 3.33Å; Q69-S73 PolarHBondContact O-N 3.35Å; Q69-S73 PolarHBondContact O-OG 3.42Å |
| 70 | K | 96.7 | Very high | 94.2 | Very high | 129 Ų | 129 | 69.4 Ų | 69.4 | 56% | 0.561 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.2 | -47.5 | 177.2 | -178.7 | -179.9 | 170.5 | -175.5 | 0 | 111.3 | G66 E67 G68 L72 S73 E74 | G66-K70 WeakPolarHBondContact O-CB 3.45Å; G66-K70 PolarHBondContact O-N 3.36Å; E67-K70 PolarHBondContact O-N 3.48Å; G68-K70 VanDerWaalsContact C-N 3.28Å; G68-K70 PolarHBondContact O-N 3.3Å; K70-L72 VanDerWaalsContact C-N 3.34Å; K70-L72 PolarHBondContact O-N 3.45Å; K70-S73 PolarHBondContact O-N 3.36Å; K70-E74 WeakPolarHBondContact CE-OE1 3.19Å; K70-E74 HydrophobicContact CG-CG 4.34Å; K70-E74 IonicContact NZ-OE1 2.77Å; K70-E74 WeakPolarHBondContact O-CB 3.38Å; K70-E74 WeakPolarHBondContact O-CG 3.14Å; K70-E74 PolarHBondContact O-N 3.1Å |
| 71 | M | 96.9 | Very high | 94.1 | Very high | 30 Ų | 30 | 73.7 Ų | 73.7 | 15% | 0.148 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 177.8 | -74.4 | -178.7 | -118.2 | 0 | 0 | 112.8 | L13 F50 L63 E67 G68 L75 | L13-M71 HydrophobicContact CB-SD 4.39Å; L13-M71 HydrophobicContact CD1-SD 4.4Å; F50-M71 HydrophobicContact CE1-CB 4.5Å; F50-M71 HydrophobicContact CZ-CB 4.39Å; L63-M71 HydrophobicContact CD1-CE 3.58Å; L63-M71 HydrophobicContact CD2-CE 3.38Å; L63-M71 HydrophobicContact CG-CE 4.09Å; E67-M71 HydrophobicContact CB-CE 4.12Å; E67-M71 WeakPolarHBondContact O-CE 3.47Å; E67-M71 WeakPolarHBondContact O-CG 3.39Å; E67-M71 PolarHBondContact O-N 3.29Å; G68-M71 PolarHBondContact O-N 2.68Å; M71-L75 WeakPolarHBondContact O-CB 3.3Å; M71-L75 PolarHBondContact O-N 3.23Å |
| 72 | L | 97.8 | Very high | 93.9 | Very high | 34 Ų | 34 | 71.9 Ų | 71.9 | 18% | 0.178 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 178.9 | -68.6 | 169.5 | 0 | 0 | 0 | 111.7 | F50 V54 G68 Q69 K70 L75 E76 | F50-L72 HydrophobicContact CD1-CD2 3.59Å; F50-L72 HydrophobicContact CE1-CD2 3.83Å; V54-L72 HydrophobicContact CG1-CD1 4.26Å; V54-L72 HydrophobicContact CG1-CG 4.39Å; V54-L72 HydrophobicContact CG2-CD2 4.39Å; G68-L72 WeakPolarHBondContact O-CG 2.81Å; G68-L72 PolarHBondContact O-N 3.38Å; Q69-L72 PolarHBondContact O-N 3.17Å; K70-L72 VanDerWaalsContact C-N 3.34Å; K70-L72 PolarHBondContact O-N 3.45Å; L72-L75 PolarHBondContact O-N 3.25Å; L72-E76 WeakPolarHBondContact O-CB 3.41Å; L72-E76 PolarHBondContact O-N 3.41Å |
| 73 | S | 97.6 | Very high | 93.5 | Very high | 51 Ų | 51 | 71.8 Ų | 71.8 | 36% | 0.357 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.9 | -36.4 | -179.8 | -65.1 | 0 | 0 | 0 | 0 | 112.9 | Q69 K70 A77 | Q69-S73 PolarHBondContact NE2-OG 2.99Å; Q69-S73 VanDerWaalsContact NE2-OG 3.12Å; Q69-S73 WeakPolarHBondContact O-CB 3.33Å; Q69-S73 PolarHBondContact O-N 3.35Å; Q69-S73 PolarHBondContact O-OG 3.42Å; K70-S73 PolarHBondContact O-N 3.36Å; S73-A77 WeakPolarHBondContact O-CB 3.34Å; S73-A77 PolarHBondContact O-N 3.17Å |
| 74 | E | 97.4 | Very high | 93.1 | Very high | 94 Ų | 94 | 74.8 Ų | 74.8 | 44% | 0.439 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 173.8 | -75.5 | 175 | 162.9 | 0 | 0 | 110.9 | K70 A77 E78 | K70-E74 WeakPolarHBondContact CE-OE1 3.19Å; K70-E74 HydrophobicContact CG-CG 4.34Å; K70-E74 IonicContact NZ-OE1 2.77Å; K70-E74 WeakPolarHBondContact O-CB 3.38Å; K70-E74 WeakPolarHBondContact O-CG 3.14Å; K70-E74 PolarHBondContact O-N 3.1Å; E74-A77 PolarHBondContact O-N 3.21Å; E74-E78 WeakPolarHBondContact O-CG 3.33Å; E74-E78 PolarHBondContact O-N 2.94Å |
| 75 | L | 96.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 72.2 Ų | 72.2 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 177.9 | -179.2 | 56.7 | 0 | 0 | 0 | 111.7 | A17 I20 K21 M47 F50 M71 L72 A77 E78 L79 | A17-L75 HydrophobicContact CB-CD1 4.25Å; A17-L75 HydrophobicContact CB-CD2 3.92Å; I20-L75 HydrophobicContact CD1-CD2 4.04Å; K21-L75 HydrophobicContact CD-CD1 3.9Å; K21-L75 HydrophobicContact CG-CD1 3.58Å; M47-L75 HydrophobicContact CE-CB 4.46Å; M47-L75 HydrophobicContact CE-CD2 4.1Å; M47-L75 HydrophobicContact CE-CG 4.13Å; M47-L75 HydrophobicContact SD-CD2 3.32Å; M47-L75 WeakPolarHBondContact SD-CD2 3.31Å; M47-L75 HydrophobicContact SD-CG 3.59Å; M47-L75 VanDerWaalsContact SD-CG 3.59Å; F50-L75 HydrophobicContact CD1-CD2 3.55Å; F50-L75 HydrophobicContact CE1-CD2 3.7Å; F50-L75 HydrophobicContact CG-CD2 4.26Å; M71-L75 WeakPolarHBondContact O-CB 3.3Å; M71-L75 PolarHBondContact O-N 3.23Å; L72-L75 PolarHBondContact O-N 3.25Å; L75-A77 VanDerWaalsContact C-N 3.33Å; L75-A77 PolarHBondContact O-N 2.71Å; L75-E78 PolarHBondContact O-N 3.21Å; L75-E78 VanDerWaalsContact O-N 3.15Å; L75-L79 HydrophobicContact CD1-CD1 4.37Å; L75-L79 HydrophobicContact CD1-CD2 4.32Å; L75-L79 HydrophobicContact CD1-CG 4.16Å; L75-L79 HydrophobicContact CG-CD1 4.2Å; L75-L79 HydrophobicContact CG-CG 4.42Å; L75-L79 VanDerWaalsContact O-CG 3.31Å; L75-L79 WeakPolarHBondContact O-CG 3.35Å; L75-L79 PolarHBondContact O-N 2.97Å |
| 76 | E | 96.3 | Very high | 92.2 | Very high | 107 Ų | 107 | 63 Ų | 63 | 50% | 0.5 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.4 | -44.2 | 176.8 | -175.6 | 178.8 | -172 | 0 | 0 | 112 | M47 L72 E78 L79 N80 | M47-E76 HydrophobicContact CE-CB 4.33Å; L72-E76 WeakPolarHBondContact O-CB 3.41Å; L72-E76 PolarHBondContact O-N 3.41Å; E76-E78 VanDerWaalsContact C-N 3.34Å; E76-E78 PolarHBondContact O-N 3.37Å; E76-L79 PolarHBondContact O-N 2.9Å; E76-N80 WeakPolarHBondContact O-CB 3.07Å; E76-N80 VanDerWaalsContact O-CG 3.31Å; E76-N80 PolarHBondContact O-N 3.41Å; E76-N80 PolarHBondContact O-ND2 3.47Å |
| 77 | A | 96.3 | Very high | 91.4 | Very high | 41 Ų | 41 | 66 Ų | 66 | 34% | 0.339 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S73 E74 L75 R81 | S73-A77 WeakPolarHBondContact O-CB 3.34Å; S73-A77 PolarHBondContact O-N 3.17Å; E74-A77 PolarHBondContact O-N 3.21Å; L75-A77 VanDerWaalsContact C-N 3.33Å; L75-A77 PolarHBondContact O-N 2.71Å; A77-R81 WeakPolarHBondContact O-CG 3.14Å; A77-R81 PolarHBondContact O-N 3.02Å; A77-R81 VanDerWaalsContact O-N 3.12Å |
| 78 | E | 93.3 | Very high | 90.5 | Very high | 66 Ų | 66 | 68 Ų | 68 | 31% | 0.308 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.9 | -42.8 | 175.6 | -75.5 | -176.7 | -143.8 | 0 | 0 | 112.1 | K21 E74 L75 E76 N80 R81 L82 | K21-E78 HydrophobicContact CD-CB 4.07Å; K21-E78 WeakPolarHBondContact CD-OE2 3.48Å; K21-E78 WeakPolarHBondContact CE-OE2 2.85Å; K21-E78 IonicContact NZ-OE1 3.72Å; K21-E78 IonicContact NZ-OE2 2.62Å; K21-E78 PolarHBondContact NZ-OE2 2.87Å; E74-E78 WeakPolarHBondContact O-CG 3.33Å; E74-E78 PolarHBondContact O-N 2.94Å; L75-E78 PolarHBondContact O-N 3.21Å; L75-E78 VanDerWaalsContact O-N 3.15Å; E76-E78 VanDerWaalsContact C-N 3.34Å; E76-E78 PolarHBondContact O-N 3.37Å; E78-N80 PolarHBondContact O-N 3.29Å; E78-R81 PolarHBondContact O-N 2.87Å; E78-L82 WeakPolarHBondContact O-CG 3.28Å; E78-L82 PolarHBondContact O-N 2.85Å |
| 79 | L | 92.2 | Very high | 89.3 | Confident | 8 Ų | 8 | 72.7 Ų | 72.7 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 176.8 | -62.7 | 174.7 | 0 | 0 | 0 | 111.2 | I20 K21 I24 V43 M47 L75 E76 R81 L82 Y83 | I20-L79 HydrophobicContact CG2-CD1 4.01Å; I20-L79 HydrophobicContact CG2-CD2 3.98Å; K21-L79 HydrophobicContact CG-CD2 4.07Å; I24-L79 HydrophobicContact CD1-CB 3.91Å; I24-L79 HydrophobicContact CD1-CD2 3.37Å; I24-L79 HydrophobicContact CD1-CG 4.17Å; I24-L79 HydrophobicContact CG1-CD2 3.98Å; V43-L79 HydrophobicContact CG1-CD1 3.83Å; V43-L79 HydrophobicContact CG1-CD2 4.41Å; M47-L79 HydrophobicContact CE-CD1 4.37Å; M47-L79 HydrophobicContact CG-CD1 3.61Å; M47-L79 HydrophobicContact SD-CD1 3.44Å; M47-L79 WeakPolarHBondContact SD-CD1 3.27Å; L75-L79 HydrophobicContact CD1-CD1 4.37Å; L75-L79 HydrophobicContact CD1-CD2 4.32Å; L75-L79 HydrophobicContact CD1-CG 4.16Å; L75-L79 HydrophobicContact CG-CD1 4.2Å; L75-L79 HydrophobicContact CG-CG 4.42Å; L75-L79 VanDerWaalsContact O-CG 3.31Å; L75-L79 WeakPolarHBondContact O-CG 3.35Å; L75-L79 PolarHBondContact O-N 2.97Å; E76-L79 PolarHBondContact O-N 2.9Å; L79-R81 VanDerWaalsContact C-N 3.33Å; L79-R81 PolarHBondContact O-N 3.24Å; L79-L82 PolarHBondContact O-N 3.34Å; L79-Y83 HydrophobicContact CB-CE2 4.49Å; L79-Y83 WeakPolarHBondContact O-CD2 3.17Å; L79-Y83 PolarHBondContact O-N 3.11Å |
| 80 | N | 90.6 | Very high | 87.7 | Confident | 88 Ų | 88 | 70.7 Ų | 70.7 | 47% | 0.471 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.6 | -42.2 | 176 | -75.5 | -30.4 | 0 | 0 | 0 | 112.3 | E76 E78 Y83 T84 | E76-N80 WeakPolarHBondContact O-CB 3.07Å; E76-N80 VanDerWaalsContact O-CG 3.31Å; E76-N80 PolarHBondContact O-N 3.41Å; E76-N80 PolarHBondContact O-ND2 3.47Å; E78-N80 PolarHBondContact O-N 3.29Å; N80-Y83 PolarHBondContact O-N 3.29Å; N80-T84 PolarHBondContact O-N 3.16Å; N80-T84 PolarHBondContact O-OG1 3.13Å; N80-T84 VanDerWaalsContact O-OG1 3.13Å |
| 81 | R | 90.2 | Very high | 85.9 | Confident | 167 Ų | 167 | 70.5 Ų | 70.5 | 63% | 0.63 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.5 | -46.7 | 174.8 | -73 | 173.5 | -175.3 | 171.1 | 3 | 111.8 | A77 E78 L79 Y83 T84 E85 | A77-R81 WeakPolarHBondContact O-CG 3.14Å; A77-R81 PolarHBondContact O-N 3.02Å; A77-R81 VanDerWaalsContact O-N 3.12Å; E78-R81 PolarHBondContact O-N 2.87Å; L79-R81 VanDerWaalsContact C-N 3.33Å; L79-R81 PolarHBondContact O-N 3.24Å; R81-Y83 VanDerWaalsContact C-N 3.3Å; R81-Y83 PolarHBondContact O-N 2.89Å; R81-T84 PolarHBondContact O-N 3.3Å; R81-E85 WeakPolarHBondContact O-CG 3.41Å; R81-E85 PolarHBondContact O-N 3.25Å |
| 82 | L | 86.9 | Confident | 84 | Confident | 18 Ų | 18 | 74.2 Ų | 74.2 | 9% | 0.094 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.7 | -38 | 178.9 | -66.9 | 170.4 | 0 | 0 | 0 | 111.7 | K21 I24 R25 E78 L79 L86 | K21-L82 HydrophobicContact CB-CD1 4.29Å; I24-L82 HydrophobicContact CB-CB 4.26Å; I24-L82 HydrophobicContact CB-CD1 4.17Å; I24-L82 HydrophobicContact CD1-CB 4.29Å; I24-L82 HydrophobicContact CG2-CB 3.66Å; I24-L82 HydrophobicContact CG2-CD1 4.47Å; R25-L82 HydrophobicContact CG-CD1 4.24Å; R25-L82 HydrophobicContact CG-CD2 3.99Å; E78-L82 WeakPolarHBondContact O-CG 3.28Å; E78-L82 PolarHBondContact O-N 2.85Å; L79-L82 PolarHBondContact O-N 3.34Å; L82-L86 VanDerWaalsContact O-CG 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.27Å; L82-L86 PolarHBondContact O-N 2.93Å; L82-L86 VanDerWaalsContact O-N 3.09Å |
| 83 | Y | 84.7 | Confident | 81.9 | Confident | 33 Ų | 33 | 78.9 Ų | 78.9 | 13% | 0.129 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.8 | -49.6 | 172.5 | -79.3 | -59.1 | 0 | 0 | 0 | 111.7 | I24 F39 E40 V43 L79 N80 R81 E85 L86 Y87 | I24-Y83 HydrophobicContact CD1-CD2 4.02Å; I24-Y83 HydrophobicContact CD1-CE1 4.22Å; I24-Y83 HydrophobicContact CD1-CE2 3.61Å; I24-Y83 HydrophobicContact CD1-CG 4.48Å; F39-Y83 HydrophobicContact CD1-CE1 4.32Å; F39-Y83 HydrophobicContact CE1-CE1 4.18Å; E40-Y83 HydrophobicContact CG-CE1 3.81Å; V43-Y83 WeakPolarHBondContact CB-OH 3.44Å; V43-Y83 HydrophobicContact CG1-CE2 4.49Å; V43-Y83 WeakPolarHBondContact CG2-OH 3.35Å; L79-Y83 HydrophobicContact CB-CE2 4.49Å; L79-Y83 WeakPolarHBondContact O-CD2 3.17Å; L79-Y83 PolarHBondContact O-N 3.11Å; N80-Y83 PolarHBondContact O-N 3.29Å; R81-Y83 VanDerWaalsContact C-N 3.3Å; R81-Y83 PolarHBondContact O-N 2.89Å; Y83-E85 VanDerWaalsContact C-N 3.34Å; Y83-E85 PolarHBondContact O-N 3.42Å; Y83-L86 PolarHBondContact O-N 3.36Å; Y83-L86 VanDerWaalsContact O-N 3.13Å; Y83-Y87 HydrophobicContact CD1-CE2 4.29Å; Y83-Y87 WeakPolarHBondContact O-CD2 3.44Å; Y83-Y87 PolarHBondContact O-N 3.09Å |
| 84 | T | 84.5 | Confident | 79.8 | Confident | 69 Ų | 69 | 80.9 Ų | 80.9 | 42% | 0.423 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -55.8 | -47.5 | 177.6 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | N80 R81 L86 Y87 E88 | N80-T84 PolarHBondContact O-N 3.16Å; N80-T84 PolarHBondContact O-OG1 3.13Å; N80-T84 VanDerWaalsContact O-OG1 3.13Å; R81-T84 PolarHBondContact O-N 3.3Å; T84-L86 VanDerWaalsContact C-N 3.32Å; T84-L86 PolarHBondContact O-N 3.13Å; T84-Y87 PolarHBondContact O-N 3.03Å; T84-Y87 VanDerWaalsContact O-N 3.1Å; T84-E88 HydrophobicContact CG2-CG 4.06Å; T84-E88 VanDerWaalsContact CG2-OE1 3.28Å; T84-E88 WeakPolarHBondContact CG2-OE1 3.3Å; T84-E88 WeakPolarHBondContact O-CB 3.3Å; T84-E88 WeakPolarHBondContact O-CG 3.37Å; T84-E88 PolarHBondContact O-N 3.05Å |
| 85 | E | 83.4 | Confident | 77.6 | Confident | 101 Ų | 101 | 83 Ų | 83 | 47% | 0.472 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.6 | -41.5 | 177 | -71.9 | 171 | -162.7 | 0 | 0 | 112.1 | R81 Y83 N89 | R81-E85 WeakPolarHBondContact O-CG 3.41Å; R81-E85 PolarHBondContact O-N 3.25Å; Y83-E85 VanDerWaalsContact C-N 3.34Å; Y83-E85 PolarHBondContact O-N 3.42Å; E85-N89 VanDerWaalsContact O-CB 3.27Å; E85-N89 WeakPolarHBondContact O-CB 3.38Å; E85-N89 PolarHBondContact O-N 2.81Å; E85-N89 PolarHBondContact O-ND2 3.1Å |
| 86 | L | 78 | Confident | 75.4 | Confident | 61 Ų | 61 | 86.4 Ų | 86.4 | 32% | 0.319 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.7 | -33.9 | 176.4 | -72.8 | 177.4 | 0 | 0 | 0 | 112.9 | I24 L82 Y83 T84 | I24-L86 HydrophobicContact CG2-CD1 3.47Å; I24-L86 VanDerWaalsContact CG2-CD1 3.47Å; L82-L86 VanDerWaalsContact O-CG 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.27Å; L82-L86 PolarHBondContact O-N 2.93Å; L82-L86 VanDerWaalsContact O-N 3.09Å; Y83-L86 PolarHBondContact O-N 3.36Å; Y83-L86 VanDerWaalsContact O-N 3.13Å; T84-L86 VanDerWaalsContact C-N 3.32Å; T84-L86 PolarHBondContact O-N 3.13Å |
| 87 | Y | 75.2 | Confident | 72.8 | Confident | 101 Ų | 101 | 83.5 Ų | 83.5 | 40% | 0.396 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -77 | -39.7 | 177.3 | -77 | -65.4 | 0 | 0 | 0 | 112.4 | E40 Y83 T84 R90 Q91 | E40-Y87 PolarHBondContact OE1-OH 2.91Å; Y83-Y87 HydrophobicContact CD1-CE2 4.29Å; Y83-Y87 WeakPolarHBondContact O-CD2 3.44Å; Y83-Y87 PolarHBondContact O-N 3.09Å; T84-Y87 PolarHBondContact O-N 3.03Å; T84-Y87 VanDerWaalsContact O-N 3.1Å; Y87-R90 WeakPolarHBondContact O-CB 3.39Å; Y87-R90 PolarHBondContact O-N 2.87Å; Y87-Q91 PolarHBondContact O-N 3.39Å; Y87-Q91 VanDerWaalsContact O-N 3.16Å |
| 88 | E | 75.1 | Confident | 70.2 | Confident | 109 Ų | 109 | 93 Ų | 93 | 51% | 0.509 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.6 | -49.1 | 177.2 | -73.9 | 177.6 | 174.7 | 0 | 0 | 111.8 | T84 R90 Q91 D92 | T84-E88 HydrophobicContact CG2-CG 4.06Å; T84-E88 VanDerWaalsContact CG2-OE1 3.28Å; T84-E88 WeakPolarHBondContact CG2-OE1 3.3Å; T84-E88 WeakPolarHBondContact O-CB 3.3Å; T84-E88 WeakPolarHBondContact O-CG 3.37Å; T84-E88 PolarHBondContact O-N 3.05Å; E88-R90 PolarHBondContact O-N 2.94Å; E88-Q91 PolarHBondContact O-N 3.36Å; E88-D92 PolarHBondContact O-N 3.15Å; E88-D92 VanDerWaalsContact O-N 3.15Å |
| 89 | N | 68.8 | Low | 67.7 | Low | 99 Ų | 99 | 99.5 Ų | 99.5 | 53% | 0.529 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -55.6 | -25.6 | 174.2 | -74.8 | -40.3 | 0 | 0 | 0 | 112.2 | E85 M93 | E85-N89 VanDerWaalsContact O-CB 3.27Å; E85-N89 WeakPolarHBondContact O-CB 3.38Å; E85-N89 PolarHBondContact O-N 2.81Å; E85-N89 PolarHBondContact O-ND2 3.1Å; N89-M93 WeakPolarHBondContact O-CG 3.36Å; N89-M93 PolarHBondContact O-N 2.97Å |
| 90 | R | 63.5 | Low | 65.3 | Low | 75 Ų | 75 | 107.5 Ų | 107.5 | 28% | 0.283 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -78.6 | -39.4 | 175.2 | -165.4 | -166.3 | -57.1 | -88.5 | 1.3 | 112.7 | S30 Y87 E88 D92 M93 T94 | S30-R90 PolarHBondContact O-NH1 2.99Å; Y87-R90 WeakPolarHBondContact O-CB 3.39Å; Y87-R90 PolarHBondContact O-N 2.87Å; E88-R90 PolarHBondContact O-N 2.94Å; R90-D92 VanDerWaalsContact C-N 3.26Å; R90-D92 PolarHBondContact O-N 2.87Å; R90-M93 PolarHBondContact O-N 3.1Å; R90-M93 VanDerWaalsContact O-N 3.1Å; R90-T94 PolarHBondContact O-N 3.19Å; R90-T94 PolarHBondContact O-OG1 3.45Å |
| 91 | Q | 57.5 | Low | 64 | Low | 124 Ų | 124 | 108.5 Ų | 108.5 | 58% | 0.579 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -58.3 | -43.7 | 174.5 | -74.7 | -179.3 | 20.2 | 0 | 0 | 110.2 | Y87 E88 M93 T94 D95 | Y87-Q91 PolarHBondContact O-N 3.39Å; Y87-Q91 VanDerWaalsContact O-N 3.16Å; E88-Q91 PolarHBondContact O-N 3.36Å; Q91-M93 VanDerWaalsContact C-N 3.29Å; Q91-M93 PolarHBondContact O-N 2.92Å; Q91-T94 WeakPolarHBondContact CA-OG1 3.15Å; Q91-T94 PolarHBondContact O-N 3.28Å; Q91-T94 PolarHBondContact O-OG1 3.32Å; Q91-D95 WeakPolarHBondContact O-CB 3.43Å; Q91-D95 VanDerWaalsContact O-CG 3.24Å; Q91-D95 PolarHBondContact O-N 2.94Å |
| 92 | D | 57.1 | Low | 62.7 | Low | 109 Ų | 109 | 105.4 Ų | 105.4 | 58% | 0.583 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.4 | -36.6 | 174.8 | -69.8 | -16.1 | 0 | 0 | 0 | 112.5 | E88 R90 A96 | E88-D92 PolarHBondContact O-N 3.15Å; E88-D92 VanDerWaalsContact O-N 3.15Å; R90-D92 VanDerWaalsContact C-N 3.26Å; R90-D92 PolarHBondContact O-N 2.87Å; D92-A96 WeakPolarHBondContact O-CB 3.34Å; D92-A96 PolarHBondContact O-N 2.99Å |
| 93 | M | 54.5 | Low | 61.3 | Low | 131 Ų | 131 | 110.2 Ų | 110.2 | 65% | 0.645 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -75.7 | -36.4 | 177.1 | -73.1 | -172.9 | 77.7 | 0 | 0 | 113.8 | N89 R90 Q91 D95 A96 G97 | N89-M93 WeakPolarHBondContact O-CG 3.36Å; N89-M93 PolarHBondContact O-N 2.97Å; R90-M93 PolarHBondContact O-N 3.1Å; R90-M93 VanDerWaalsContact O-N 3.1Å; Q91-M93 VanDerWaalsContact C-N 3.29Å; Q91-M93 PolarHBondContact O-N 2.92Å; M93-D95 VanDerWaalsContact C-N 3.31Å; M93-A96 PolarHBondContact O-N 3.28Å; M93-G97 PolarHBondContact O-N 3.49Å |
| 94 | T | 52.7 | Low | 59.9 | Low | 94 Ų | 94 | 114.8 Ų | 114.8 | 58% | 0.577 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.6 | -35.1 | 174 | 47.2 | 0 | 0 | 0 | 0 | 111.2 | R90 Q91 | R90-T94 PolarHBondContact O-N 3.19Å; R90-T94 PolarHBondContact O-OG1 3.45Å; Q91-T94 WeakPolarHBondContact CA-OG1 3.15Å; Q91-T94 PolarHBondContact O-N 3.28Å; Q91-T94 PolarHBondContact O-OG1 3.32Å |
| 95 | D | 53 | Low | 58.4 | Low | 139 Ų | 139 | 117.6 Ų | 117.6 | 74% | 0.743 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -76 | -28 | 177.4 | -68.9 | -4.2 | 0 | 0 | 0 | 111.8 | Q91 M93 | Q91-D95 WeakPolarHBondContact O-CB 3.43Å; Q91-D95 VanDerWaalsContact O-CG 3.24Å; Q91-D95 PolarHBondContact O-N 2.94Å; M93-D95 VanDerWaalsContact C-N 3.31Å |
| 96 | A | 49.1 | Very low | 56.7 | Low | 74 Ų | 74 | 118.7 Ų | 118.7 | 61% | 0.612 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -1.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D92 M93 | D92-A96 WeakPolarHBondContact O-CB 3.34Å; D92-A96 PolarHBondContact O-N 2.99Å; M93-A96 PolarHBondContact O-N 3.28Å |
| 97 | G | 41.8 | Very low | 55.2 | Low | 47 Ų | 47 | 122.9 Ų | 122.9 | 49% | 0.485 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -105.1 | 73.9 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | M93 | M93-G97 PolarHBondContact O-N 3.49Š|
| 98 | W | 43.3 | Very low | 53.7 | Low | 239 Ų | 239 | 124.5 Ų | 124.5 | 91% | 0.905 | 68% | 0.681 | S | S | * | * | trans | 62.8 | 95.7 | 138.9 | -59.6 | 24.5 | 0 | 0 | 0 | 117.3 | A100 | W98-A100 PolarHBondContact O-N 3.38Š| ||
| 99 | E | 39.8 | Very low | 51.9 | Low | 203 Ų | 203 | 125.8 Ų | 125.8 | 95% | 0.949 | 70% | 0.695 | S | S | * | * | trans | -56 | 127.5 | 150.6 | -73.9 | 175.3 | 155.4 | 0 | 0 | 108.7 | ||||
| 100 | A | 41.7 | Very low | 50.4 | Low | 176 Ų | 176 | 128.3 Ų | 128.3 | 100% | 1.455 | 71% | 0.71 | S | S | * | * | trans | -55 | 0 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | W98 | W98-A100 PolarHBondContact O-N 3.38Š|
Retrieved 100 of 100 residues in 106.5 ms
(Link to these results)