| 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 | 60.4 | Low | 85.1 | Confident | 210 Ų | 210 | 97.5 Ų | 97.5 | 100% | 1.034 | 51% | 0.505 | S | S | * | . | 0 | 120.2 | 0 | -70.8 | -176.5 | -141.7 | 0 | 0 | 107.4 | |||||
| 2 | A | 66.8 | Low | 86 | Confident | 86 Ų | 86 | 99.9 Ų | 99.9 | 71% | 0.711 | 51% | 0.509 | S | S | * | . | trans | -62.4 | 145.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | V4 | A2-V4 PolarHBondContact O-N 2.87Å; A2-V4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | R | 77.4 | Confident | 86.7 | Confident | 231 Ų | 231 | 95.2 Ų | 95.2 | 87% | 0.872 | 49% | 0.485 | S | S | * | . | trans | -64.3 | 114.4 | 168.5 | 175.4 | -179.1 | 176.3 | 152.9 | -1.3 | 107.3 | ||||
| 4 | V | 77.3 | Confident | 87.2 | Confident | 66 Ų | 66 | 93.1 Ų | 93.1 | 40% | 0.4 | 50% | 0.499 | S | S | . | . | trans | -83.1 | 128.3 | 171.8 | 158.2 | 0 | 0 | 0 | 0 | 109.2 | A2 V6 V48 L51 | A2-V4 PolarHBondContact O-N 2.87Å; A2-V4 VanDerWaalsContact O-N 3.14Å; V4-V6 HydrophobicContact CG1-CG1 4.12Å; V4-V48 HydrophobicContact CG2-CG1 3.76Å; V4-V48 HydrophobicContact CG2-CG2 4.3Å; V4-L51 HydrophobicContact CG1-CD1 4.25Å | ||
| 5 | T | 88.2 | Confident | 87.7 | Confident | 87 Ų | 87 | 91.1 Ų | 91.1 | 53% | 0.534 | 49% | 0.488 | S | S | . | . | trans | -97.5 | 139.2 | 164.9 | 49.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 6 | V | 90.5 | Very high | 88.1 | Confident | 61 Ų | 61 | 96.2 Ų | 96.2 | 37% | 0.37 | 50% | 0.498 | S | S | . | . | trans | -105.6 | 14.3 | 179.7 | -60.1 | 0 | 0 | 0 | 0 | 112.7 | V4 D8 A9 V10 L19 L51 | V4-V6 HydrophobicContact CG1-CG1 4.12Å; V6-D8 PolarHBondContact O-N 3.47Å; V6-A9 PolarHBondContact O-N 2.79Å; V6-V10 HydrophobicContact CG2-CG2 4.33Å; V6-V10 VanDerWaalsContact O-CG2 3.28Å; V6-V10 WeakPolarHBondContact O-CG2 3.45Å; V6-V10 PolarHBondContact O-N 3.47Å; V6-L19 HydrophobicContact CB-CD2 4.49Å; V6-L51 HydrophobicContact CG1-CD1 3.79Å; V6-L51 HydrophobicContact CG1-CD2 4.08Å | ||
| 7 | Q | 93.6 | Very high | 88.6 | Confident | 97 Ų | 97 | 100.2 Ų | 100.2 | 45% | 0.453 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -48 | -173.2 | -178.8 | 57.9 | 35.5 | 0 | 0 | 110.7 | A9 V10 E11 | Q7-A9 VanDerWaalsContact C-N 3.32Å; Q7-A9 PolarHBondContact O-N 2.93Å; Q7-V10 WeakPolarHBondContact O-CB 3.31Å; Q7-V10 PolarHBondContact O-N 3.2Å; Q7-V10 VanDerWaalsContact O-N 3.14Å; Q7-E11 PolarHBondContact NE2-OE1 2.99Å; Q7-E11 WeakPolarHBondContact O-CG 3.44Å; Q7-E11 PolarHBondContact O-N 3.26Å |
| 8 | D | 94.8 | Very high | 89.1 | Confident | 85 Ų | 85 | 99 Ų | 99 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 179.2 | -59.2 | -12.3 | 0 | 0 | 0 | 110.6 | V6 V10 E11 K12 E55 | V6-D8 PolarHBondContact O-N 3.47Å; D8-V10 VanDerWaalsContact C-N 3.33Å; D8-V10 PolarHBondContact O-N 3.07Å; D8-E11 PolarHBondContact O-N 3.46Å; D8-K12 VanDerWaalsContact O-CG 3.25Å; D8-K12 WeakPolarHBondContact O-CG 3.38Å; D8-K12 PolarHBondContact O-N 3.11Å; D8-E55 HydrophobicContact CB-CB 4.46Å; D8-E55 HydrophobicContact CB-CG 3.86Å |
| 9 | A | 95.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 94.3 Ų | 94.3 | 0% | 0 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V6 Q7 K12 I13 L19 L51 I54 E55 | V6-A9 PolarHBondContact O-N 2.79Å; Q7-A9 VanDerWaalsContact C-N 3.32Å; Q7-A9 PolarHBondContact O-N 2.93Å; A9-K12 PolarHBondContact O-N 3.46Å; A9-I13 PolarHBondContact O-N 3.12Å; A9-L19 HydrophobicContact CB-CD1 3.8Å; A9-L19 HydrophobicContact CB-CD2 4.09Å; A9-L51 HydrophobicContact CB-CD2 4.18Å; A9-I54 HydrophobicContact CB-CG2 4.14Å; A9-E55 HydrophobicContact CB-CG 3.77Å |
| 10 | V | 96 | Very high | 89.9 | Confident | 20 Ų | 20 | 94.4 Ų | 94.4 | 12% | 0.121 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 175.4 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | V6 Q7 D8 K12 I13 G14 R16 L19 | V6-V10 HydrophobicContact CG2-CG2 4.33Å; V6-V10 VanDerWaalsContact O-CG2 3.28Å; V6-V10 WeakPolarHBondContact O-CG2 3.45Å; V6-V10 PolarHBondContact O-N 3.47Å; Q7-V10 WeakPolarHBondContact O-CB 3.31Å; Q7-V10 PolarHBondContact O-N 3.2Å; Q7-V10 VanDerWaalsContact O-N 3.14Å; D8-V10 VanDerWaalsContact C-N 3.33Å; D8-V10 PolarHBondContact O-N 3.07Å; V10-K12 VanDerWaalsContact C-N 3.3Å; V10-K12 PolarHBondContact O-N 3.37Å; V10-I13 PolarHBondContact O-N 2.95Å; V10-G14 WeakPolarHBondContact O-CA 3.46Å; V10-G14 PolarHBondContact O-N 2.97Å; V10-R16 HydrophobicContact CG1-CG 3.81Å; V10-R16 HydrophobicContact CG2-CG 3.96Å; V10-L19 HydrophobicContact CB-CD2 4.34Å; V10-L19 HydrophobicContact CG2-CD2 3.38Å |
| 11 | E | 95.6 | Very high | 90.2 | Very high | 129 Ų | 129 | 95.4 Ų | 95.4 | 60% | 0.603 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.7 | -33.7 | 177.7 | -71.9 | 176.9 | -167.4 | 0 | 0 | 112.3 | Q7 D8 | Q7-E11 PolarHBondContact NE2-OE1 2.99Å; Q7-E11 WeakPolarHBondContact O-CG 3.44Å; Q7-E11 PolarHBondContact O-N 3.26Å; D8-E11 PolarHBondContact O-N 3.46Å |
| 12 | K | 95.4 | Very high | 92 | Very high | 127 Ų | 127 | 85.6 Ų | 85.6 | 55% | 0.552 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -70.4 | -38.3 | 176.8 | -65.2 | -75.7 | 172.5 | 159.6 | 0 | 113.3 | D8 A9 V10 I54 E55 | D8-K12 VanDerWaalsContact O-CG 3.25Å; D8-K12 WeakPolarHBondContact O-CG 3.38Å; D8-K12 PolarHBondContact O-N 3.11Å; A9-K12 PolarHBondContact O-N 3.46Å; V10-K12 VanDerWaalsContact C-N 3.3Å; V10-K12 PolarHBondContact O-N 3.37Å; K12-I54 HydrophobicContact CB-CG2 4.26Å; K12-I54 WeakPolarHBondContact CG-O 3.43Å; K12-E55 WeakPolarHBondContact CE-O 3.33Å; K12-E55 PolarHBondContact NZ-O 3.42Å |
| 13 | I | 95.3 | Very high | 93.5 | Very high | 38 Ų | 38 | 81.8 Ų | 81.8 | 20% | 0.195 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -90.6 | -28.4 | -178.7 | -60.4 | -64.4 | 0 | 0 | 0 | 112.3 | A9 V10 N15 D18 L19 I54 N60 | A9-I13 PolarHBondContact O-N 3.12Å; V10-I13 PolarHBondContact O-N 2.95Å; I13-N15 PolarHBondContact O-N 3.27Å; I13-N15 VanDerWaalsContact O-N 3.17Å; I13-D18 HydrophobicContact CG2-CB 3.74Å; I13-L19 HydrophobicContact CB-CB 4.32Å; I13-L19 HydrophobicContact CG1-CB 4.37Å; I13-L19 HydrophobicContact CG1-CD1 3.99Å; I13-L19 HydrophobicContact CG2-CB 4.34Å; I13-I54 HydrophobicContact CD1-CG2 3.93Å; I13-I54 HydrophobicContact CG1-CG2 3.66Å; I13-N60 HydrophobicContact CD1-CB 4.01Å |
| 14 | G | 94.3 | Very high | 94.4 | Very high | 66 Ų | 66 | 72.5 Ų | 72.5 | 68% | 0.68 | 39% | 0.386 | S | S | * | . | S | Bend | trans | 79.1 | -20.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | V10 | V10-G14 WeakPolarHBondContact O-CA 3.46Å; V10-G14 PolarHBondContact O-N 2.97Å |
| 15 | N | 94.5 | Very high | 95.4 | Very high | 64 Ų | 64 | 71.7 Ų | 71.7 | 34% | 0.342 | 38% | 0.376 | S | S | . | . | trans | -129.4 | 129.7 | 178.4 | -176.1 | -56.5 | 0 | 0 | 0 | 111.5 | I13 F17 D18 L19 | I13-N15 PolarHBondContact O-N 3.27Å; I13-N15 VanDerWaalsContact O-N 3.17Å; N15-F17 WeakPolarHBondContact OD1-CA 3.39Å; N15-F17 WeakPolarHBondContact OD1-CB 3.44Å; N15-F17 PolarHBondContact OD1-N 2.73Å; N15-D18 HydrophobicContact CB-CB 4.02Å; N15-D18 WeakPolarHBondContact CB-OD2 3.46Å; N15-D18 PolarHBondContact OD1-N 2.68Å; N15-D18 VanDerWaalsContact OD1-N 3.13Å; N15-L19 WeakPolarHBondContact O-CB 3.46Å; N15-L19 PolarHBondContact O-N 2.83Å | ||
| 16 | R | 94.8 | Very high | 95.8 | Very high | 172 Ų | 172 | 67.7 Ų | 67.7 | 65% | 0.649 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -69.6 | -33.3 | -177 | -67.1 | -177.4 | -179.3 | 170.8 | 0.2 | 113.7 | V10 V20 | V10-R16 HydrophobicContact CG1-CG 3.81Å; V10-R16 HydrophobicContact CG2-CG 3.96Å; R16-V20 WeakPolarHBondContact O-CG2 3.27Å; R16-V20 PolarHBondContact O-N 3.43Å |
| 17 | F | 96.5 | Very high | 96.1 | Very high | 165 Ų | 165 | 65 Ų | 65 | 72% | 0.724 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -72.6 | -43 | 176.9 | -62.1 | -71.5 | 0 | 0 | 0 | 110.7 | N15 L19 V20 L21 | N15-F17 WeakPolarHBondContact OD1-CA 3.39Å; N15-F17 WeakPolarHBondContact OD1-CB 3.44Å; N15-F17 PolarHBondContact OD1-N 2.73Å; F17-L19 VanDerWaalsContact C-N 3.29Å; F17-L19 PolarHBondContact O-N 2.99Å; F17-V20 WeakPolarHBondContact O-CB 3.28Å; F17-V20 PolarHBondContact O-N 2.91Å; F17-V20 VanDerWaalsContact O-N 3.14Å; F17-L21 WeakPolarHBondContact O-CG 3.3Å; F17-L21 PolarHBondContact O-N 2.99Å |
| 18 | D | 96.3 | Very high | 96.3 | Very high | 78 Ų | 78 | 67.3 Ų | 67.3 | 42% | 0.417 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 175.4 | -64.2 | -25.5 | 0 | 0 | 0 | 111 | I13 N15 V20 L21 V22 | I13-D18 HydrophobicContact CG2-CB 3.74Å; N15-D18 HydrophobicContact CB-CB 4.02Å; N15-D18 WeakPolarHBondContact CB-OD2 3.46Å; N15-D18 PolarHBondContact OD1-N 2.68Å; N15-D18 VanDerWaalsContact OD1-N 3.13Å; D18-V20 VanDerWaalsContact C-N 3.31Å; D18-V20 PolarHBondContact O-N 3.48Å; D18-L21 PolarHBondContact O-N 3Å; D18-V22 WeakPolarHBondContact O-CB 3.19Å; D18-V22 VanDerWaalsContact O-CG2 3.27Å; D18-V22 WeakPolarHBondContact O-CG2 3.26Å; D18-V22 PolarHBondContact O-N 3.19Å |
| 19 | L | 97 | Very high | 96.4 | Very high | 9 Ų | 9 | 64.4 Ų | 64.4 | 5% | 0.047 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.9 | -48.4 | 172.9 | 172.4 | 64.8 | 0 | 0 | 0 | 111.3 | V6 A9 V10 I13 N15 F17 L21 V22 A23 L51 I54 | V6-L19 HydrophobicContact CB-CD2 4.49Å; A9-L19 HydrophobicContact CB-CD1 3.8Å; A9-L19 HydrophobicContact CB-CD2 4.09Å; V10-L19 HydrophobicContact CB-CD2 4.34Å; V10-L19 HydrophobicContact CG2-CD2 3.38Å; I13-L19 HydrophobicContact CB-CB 4.32Å; I13-L19 HydrophobicContact CG1-CB 4.37Å; I13-L19 HydrophobicContact CG1-CD1 3.99Å; I13-L19 HydrophobicContact CG2-CB 4.34Å; N15-L19 WeakPolarHBondContact O-CB 3.46Å; N15-L19 PolarHBondContact O-N 2.83Å; F17-L19 VanDerWaalsContact C-N 3.29Å; F17-L19 PolarHBondContact O-N 2.99Å; L19-L21 VanDerWaalsContact C-N 3.32Å; L19-L21 PolarHBondContact O-N 3.33Å; L19-V22 PolarHBondContact O-N 2.94Å; L19-A23 WeakPolarHBondContact O-CB 3.41Å; L19-A23 PolarHBondContact O-N 3.4Å; L19-L51 HydrophobicContact CD1-CD2 4.01Å; L19-L51 HydrophobicContact CG-CD2 4.43Å; L19-I54 HydrophobicContact CD1-CD1 3.91Å; L19-I54 HydrophobicContact CD1-CG2 4.02Å |
| 20 | V | 97 | Very high | 96.4 | Very high | 96 Ų | 96 | 65.4 Ų | 65.4 | 58% | 0.582 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.3 | -43.8 | 179 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | R16 F17 D18 A24 | R16-V20 WeakPolarHBondContact O-CG2 3.27Å; R16-V20 PolarHBondContact O-N 3.43Å; F17-V20 WeakPolarHBondContact O-CB 3.28Å; F17-V20 PolarHBondContact O-N 2.91Å; F17-V20 VanDerWaalsContact O-N 3.14Å; D18-V20 VanDerWaalsContact C-N 3.31Å; D18-V20 PolarHBondContact O-N 3.48Å; V20-A24 WeakPolarHBondContact O-CB 3.49Å; V20-A24 PolarHBondContact O-N 3.44Å |
| 21 | L | 97.7 | Very high | 96.3 | Very high | 116 Ų | 116 | 70.7 Ų | 70.7 | 61% | 0.607 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66.1 | -46.5 | 180 | -65.9 | 178 | 0 | 0 | 0 | 112.2 | F17 D18 L19 A24 R25 | F17-L21 WeakPolarHBondContact O-CG 3.3Å; F17-L21 PolarHBondContact O-N 2.99Å; D18-L21 PolarHBondContact O-N 3Å; L19-L21 VanDerWaalsContact C-N 3.32Å; L19-L21 PolarHBondContact O-N 3.33Å; L21-A24 PolarHBondContact O-N 3.32Å; L21-R25 WeakPolarHBondContact O-CB 3.41Å; L21-R25 PolarHBondContact O-N 3.46Å |
| 22 | V | 97.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 70.7 Ų | 70.7 | 2% | 0.024 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.7 | -48.9 | 179.6 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | D18 L19 A24 R25 R26 I54 I59 N61 L64 | D18-V22 WeakPolarHBondContact O-CB 3.19Å; D18-V22 VanDerWaalsContact O-CG2 3.27Å; D18-V22 WeakPolarHBondContact O-CG2 3.26Å; D18-V22 PolarHBondContact O-N 3.19Å; L19-V22 PolarHBondContact O-N 2.94Å; V22-A24 VanDerWaalsContact C-N 3.33Å; V22-A24 PolarHBondContact O-N 2.9Å; V22-R25 PolarHBondContact O-N 3.47Å; V22-R26 WeakPolarHBondContact O-CB 3.42Å; V22-R26 PolarHBondContact O-N 2.95Å; V22-I54 HydrophobicContact CG1-CD1 3.94Å; V22-I54 HydrophobicContact CG1-CG1 4.36Å; V22-I59 HydrophobicContact CG1-CG2 3.95Å; V22-N61 HydrophobicContact CG2-CB 3.79Å; V22-L64 HydrophobicContact CG1-CD1 3.91Å |
| 23 | A | 97.3 | Very high | 95.9 | Very high | 6 Ų | 6 | 66.9 Ų | 66.9 | 5% | 0.05 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L19 R26 A27 L51 I54 | L19-A23 WeakPolarHBondContact O-CB 3.41Å; L19-A23 PolarHBondContact O-N 3.4Å; A23-R26 PolarHBondContact O-N 2.89Å; A23-A27 VanDerWaalsContact O-CB 3.27Å; A23-A27 WeakPolarHBondContact O-CB 3.4Å; A23-A27 PolarHBondContact O-N 3.41Å; A23-L51 HydrophobicContact CB-CD2 4.11Å; A23-I54 HydrophobicContact CB-CD1 3.87Å |
| 24 | A | 97.8 | Very high | 95.6 | Very high | 36 Ų | 36 | 67.9 Ų | 67.9 | 30% | 0.298 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.2 | -41.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V20 L21 V22 R28 | V20-A24 WeakPolarHBondContact O-CB 3.49Å; V20-A24 PolarHBondContact O-N 3.44Å; L21-A24 PolarHBondContact O-N 3.32Å; V22-A24 VanDerWaalsContact C-N 3.33Å; V22-A24 PolarHBondContact O-N 2.9Å; A24-R28 WeakPolarHBondContact O-CG 3.45Å; A24-R28 PolarHBondContact O-N 3.13Å; A24-R28 VanDerWaalsContact O-N 3.14Å; A24-R28 PolarHBondContact O-NH1 3.39Å |
| 25 | R | 97.3 | Very high | 95.6 | Very high | 49 Ų | 49 | 67.9 Ų | 67.9 | 19% | 0.185 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.6 | -48.9 | 174.8 | -179.4 | 177.5 | 176.1 | -173.9 | 5.5 | 110.7 | L21 V22 R28 Q29 N61 L64 D65 E68 | L21-R25 WeakPolarHBondContact O-CB 3.41Å; L21-R25 PolarHBondContact O-N 3.46Å; V22-R25 PolarHBondContact O-N 3.47Å; R25-R28 PolarHBondContact O-N 2.8Å; R25-Q29 PolarHBondContact O-N 3.42Å; R25-Q29 VanDerWaalsContact O-N 3.07Å; R25-N61 PolarHBondContact NH1-OD1 3.16Å; R25-L64 HydrophobicContact CB-CD1 4.27Å; R25-L64 HydrophobicContact CG-CD1 4.08Å; R25-D65 IonicContact CZ-OD1 2.75Å; R25-D65 VanDerWaalsContact CZ-OD1 3.28Å; R25-D65 IonicContact NH1-OD1 3.5Å; R25-D65 PolarHBondContact NH1-OD1 3.05Å; R25-D65 IonicContact NH2-OD1 3.51Å; R25-D65 PolarHBondContact NH2-OD1 2.9Å; R25-E68 IonicContact CZ-OE1 2.73Å; R25-E68 IonicContact CZ-OE2 3.88Å; R25-E68 IonicContact NE-OE1 3.28Å; R25-E68 PolarHBondContact NE-OE1 3.48Å; R25-E68 IonicContact NE-OE2 2.94Å; R25-E68 IonicContact NH2-OE1 2.83Å; R25-E68 PolarHBondContact NH2-OE1 3Å; R25-E68 IonicContact NH2-OE2 3.18Å; R25-E68 PolarHBondContact NH2-OE2 3.19Å |
| 26 | R | 97.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.015 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 179.4 | 179.3 | 54.9 | -176.4 | 154.8 | 7.7 | 112.5 | V22 A23 R28 Q29 M30 D36 A50 E53 I59 L64 | V22-R26 WeakPolarHBondContact O-CB 3.42Å; V22-R26 PolarHBondContact O-N 2.95Å; A23-R26 PolarHBondContact O-N 2.89Å; R26-R28 VanDerWaalsContact C-N 3.27Å; R26-R28 PolarHBondContact O-N 3.14Å; R26-Q29 WeakPolarHBondContact O-CB 3.33Å; R26-Q29 PolarHBondContact O-N 3.05Å; R26-Q29 VanDerWaalsContact O-N 3.13Å; R26-M30 HydrophobicContact CG-CE 4.21Å; R26-M30 PolarHBondContact O-N 3.01Å; R26-D36 PolarHBondContact NH2-O 3.38Å; R26-A50 HydrophobicContact CB-CB 4.05Å; R26-A50 HydrophobicContact CG-CB 3.86Å; R26-E53 WeakPolarHBondContact CD-OE2 3.49Å; R26-E53 WeakPolarHBondContact CG-OE2 3.44Å; R26-E53 IonicContact CZ-OE1 3.67Å; R26-E53 IonicContact CZ-OE2 2.68Å; R26-E53 IonicContact NE-OE1 2.99Å; R26-E53 IonicContact NE-OE2 3.94Å; R26-E53 PolarHBondContact NE-OE2 3.42Å; R26-E53 IonicContact NH2-OE1 2.92Å; R26-E53 PolarHBondContact NH2-OE1 3.42Å; R26-E53 IonicContact NH2-OE2 3.32Å; R26-E53 PolarHBondContact NH2-OE2 3.1Å; R26-I59 HydrophobicContact CB-CG2 4.15Å; R26-I59 HydrophobicContact CG-CD1 4.44Å; R26-I59 HydrophobicContact CG-CG1 4.17Å; R26-I59 HydrophobicContact CG-CG2 4.1Å; R26-L64 HydrophobicContact CB-CD1 4.45Å; R26-L64 HydrophobicContact CB-CD2 4.47Å |
| 27 | A | 97.1 | Very high | 95.7 | Very high | 4 Ų | 4 | 65.2 Ų | 65.2 | 3% | 0.033 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.9 | -38.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A23 M30 Q31 A50 | A23-A27 VanDerWaalsContact O-CB 3.27Å; A23-A27 WeakPolarHBondContact O-CB 3.4Å; A23-A27 PolarHBondContact O-N 3.41Å; A27-M30 PolarHBondContact O-N 2.95Å; A27-Q31 WeakPolarHBondContact O-CG 3.37Å; A27-Q31 PolarHBondContact O-N 2.94Å; A27-A50 HydrophobicContact CB-CB 4.37Å |
| 28 | R | 97.3 | Very high | 95.6 | Very high | 145 Ų | 145 | 60.7 Ų | 60.7 | 55% | 0.547 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.6 | -37.8 | 174.7 | -72.7 | -169.5 | -60.5 | -89.4 | 3.3 | 113.2 | A24 R25 R26 M30 Q31 V32 G33 | A24-R28 WeakPolarHBondContact O-CG 3.45Å; A24-R28 PolarHBondContact O-N 3.13Å; A24-R28 VanDerWaalsContact O-N 3.14Å; A24-R28 PolarHBondContact O-NH1 3.39Å; R25-R28 PolarHBondContact O-N 2.8Å; R26-R28 VanDerWaalsContact C-N 3.27Å; R26-R28 PolarHBondContact O-N 3.14Å; R28-M30 PolarHBondContact O-N 3.23Å; R28-Q31 PolarHBondContact O-N 3.17Å; R28-V32 PolarHBondContact O-N 3.3Å; R28-G33 PolarHBondContact O-N 3.38Å |
| 29 | Q | 95.8 | Very high | 95.6 | Very high | 24 Ų | 24 | 57.7 Ų | 57.7 | 11% | 0.112 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.1 | -37.3 | 174.1 | -75.3 | -178.6 | -16.3 | 0 | 0 | 111.5 | R25 R26 G33 G34 K35 E68 | R25-Q29 PolarHBondContact O-N 3.42Å; R25-Q29 VanDerWaalsContact O-N 3.07Å; R26-Q29 WeakPolarHBondContact O-CB 3.33Å; R26-Q29 PolarHBondContact O-N 3.05Å; R26-Q29 VanDerWaalsContact O-N 3.13Å; Q29-G33 CarbonylContact O-C 3.18Å; Q29-G33 WeakPolarHBondContact O-CA 3.43Å; Q29-G33 PolarHBondContact O-N 3.33Å; Q29-G33 VanDerWaalsContact O-N 3.15Å; Q29-G34 PolarHBondContact O-N 3.48Å; Q29-G34 VanDerWaalsContact O-N 3.16Å; Q29-K35 HydrophobicContact CB-CB 4.29Å; Q29-K35 HydrophobicContact CB-CG 3.94Å; Q29-K35 WeakPolarHBondContact O-CB 3.32Å; Q29-K35 WeakPolarHBondContact O-CG 3.35Å; Q29-K35 PolarHBondContact O-N 2.84Å; Q29-E68 PolarHBondContact NE2-OE1 2.75Å |
| 30 | M | 95.8 | Very high | 95.4 | Very high | 21 Ų | 21 | 61.5 Ų | 61.5 | 10% | 0.103 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -73.4 | -44.8 | 175 | -66.3 | -175.1 | -79.5 | 0 | 0 | 112.7 | R26 A27 R28 K35 P37 T46 I49 A50 | R26-M30 HydrophobicContact CG-CE 4.21Å; R26-M30 PolarHBondContact O-N 3.01Å; A27-M30 PolarHBondContact O-N 2.95Å; R28-M30 PolarHBondContact O-N 3.23Å; M30-K35 WeakPolarHBondContact CA-O 3.5Å; M30-K35 WeakPolarHBondContact CG-O 3.48Å; M30-P37 HydrophobicContact SD-CB 4.05Å; M30-T46 HydrophobicContact CB-CG2 3.97Å; M30-T46 WeakPolarHBondContact CE-O 3.22Å; M30-I49 HydrophobicContact CE-CB 4.12Å; M30-I49 HydrophobicContact CE-CG2 4.02Å; M30-I49 HydrophobicContact SD-CB 4.31Å; M30-I49 HydrophobicContact SD-CG2 3.73Å; M30-A50 HydrophobicContact CE-CB 3.83Å |
| 31 | Q | 95 | Very high | 95 | Very high | 131 Ų | 131 | 62.6 Ų | 62.6 | 61% | 0.612 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -73.9 | -40.7 | -175 | -71.4 | -177.3 | -57.1 | 0 | 0 | 114.5 | A27 R28 T46 | A27-Q31 WeakPolarHBondContact O-CG 3.37Å; A27-Q31 PolarHBondContact O-N 2.94Å; R28-Q31 PolarHBondContact O-N 3.17Å; Q31-T46 VanDerWaalsContact CD-OG1 3.26Å; Q31-T46 HydrophobicContact CG-CG2 3.6Å; Q31-T46 VanDerWaalsContact CG-OG1 3.31Å; Q31-T46 WeakPolarHBondContact CG-OG1 3.27Å; Q31-T46 PolarHBondContact NE2-OG1 3Å |
| 32 | V | 93.4 | Very high | 94.6 | Very high | 129 Ų | 129 | 63 Ų | 63 | 78% | 0.782 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | -38.5 | -172 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | R28 G34 | R28-V32 PolarHBondContact O-N 3.3Å; V32-G34 PolarHBondContact O-N 2.96Å |
| 33 | G | 87.6 | Confident | 94.1 | Very high | 47 Ų | 47 | 70.4 Ų | 70.4 | 49% | 0.485 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -76.3 | -5.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R28 Q29 K35 | R28-G33 PolarHBondContact O-N 3.38Å; Q29-G33 CarbonylContact O-C 3.18Å; Q29-G33 WeakPolarHBondContact O-CA 3.43Å; Q29-G33 PolarHBondContact O-N 3.33Å; Q29-G33 VanDerWaalsContact O-N 3.15Å; G33-K35 PolarHBondContact O-N 3.07Å |
| 34 | G | 90.3 | Very high | 93.8 | Very high | 59 Ų | 59 | 72.7 Ų | 72.7 | 61% | 0.608 | 40% | 0.4 | S | S | * | . | trans | 62.7 | 22 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q29 V32 | Q29-G34 PolarHBondContact O-N 3.48Å; Q29-G34 VanDerWaalsContact O-N 3.16Å; V32-G34 PolarHBondContact O-N 2.96Å | ||
| 35 | K | 92.8 | Very high | 93.5 | Very high | 66 Ų | 66 | 77.4 Ų | 77.4 | 29% | 0.287 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 133.6 | 179.3 | -59.6 | -61.2 | 179.4 | 173.4 | 0 | 110.4 | Q29 M30 G33 E71 | Q29-K35 HydrophobicContact CB-CB 4.29Å; Q29-K35 HydrophobicContact CB-CG 3.94Å; Q29-K35 WeakPolarHBondContact O-CB 3.32Å; Q29-K35 WeakPolarHBondContact O-CG 3.35Å; Q29-K35 PolarHBondContact O-N 2.84Å; M30-K35 WeakPolarHBondContact CA-O 3.5Å; M30-K35 WeakPolarHBondContact CG-O 3.48Å; G33-K35 PolarHBondContact O-N 3.07Å; K35-E71 WeakPolarHBondContact CE-OE1 3.14Å; K35-E71 VanDerWaalsContact CE-OE2 3.29Å; K35-E71 WeakPolarHBondContact CE-OE2 3.44Å; K35-E71 IonicContact NZ-OE1 2.77Å; K35-E71 PolarHBondContact NZ-OE1 3.43Å; K35-E71 IonicContact NZ-OE2 2.84Å; K35-E71 PolarHBondContact NZ-OE2 3.46Å |
| 36 | D | 94.9 | Very high | 93.4 | Very high | 132 Ų | 132 | 76.5 Ų | 76.5 | 71% | 0.706 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 146.4 | 176.7 | -63 | -57.4 | 0 | 0 | 0 | 111.8 | R26 | R26-D36 PolarHBondContact NH2-O 3.38Š|
| 37 | P | 96.5 | Very high | 93.3 | Very high | 49 Ų | 49 | 79.9 Ų | 79.9 | 32% | 0.318 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 144.2 | 171.6 | 32.2 | -36.6 | 0 | 0 | 0 | 110.4 | M30 I49 | M30-P37 HydrophobicContact SD-CB 4.05Å; P37-I49 HydrophobicContact CB-CG2 3.65Å |
| 38 | L | 96 | Very high | 93.2 | Very high | 69 Ų | 69 | 81.1 Ų | 81.1 | 36% | 0.361 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -91.9 | -7.7 | 177.9 | -52.5 | 173.7 | 0 | 0 | 0 | 112.6 | E53 L58 I59 R67 | L38-E53 HydrophobicContact CB-CG 4.16Å; L38-E53 WeakPolarHBondContact CB-OE1 3.44Å; L38-E53 WeakPolarHBondContact CG-OE1 3.38Å; L38-E53 PolarHBondContact N-OE1 3.41Å; L38-L58 HydrophobicContact CB-CD1 3.94Å; L38-L58 HydrophobicContact CD1-CB 3.95Å; L38-I59 HydrophobicContact CD1-CD1 3.8Å; L38-I59 HydrophobicContact CD1-CG1 4.01Å; L38-R67 VanDerWaalsContact CD1-NH2 3.34Å |
| 39 | V | 95.3 | Very high | 93.1 | Very high | 15 Ų | 15 | 74.6 Ų | 74.6 | 9% | 0.091 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -124.2 | 154.9 | 175 | -60.8 | 0 | 0 | 0 | 0 | 109 | E41 I49 R52 E53 E56 L58 | V39-E41 PolarHBondContact O-N 3.37Å; V39-I49 HydrophobicContact CG2-CG2 3.73Å; V39-R52 HydrophobicContact CG2-CB 4.1Å; V39-E53 HydrophobicContact CB-CG 4.45Å; V39-E53 HydrophobicContact CG1-CG 3.97Å; V39-E53 HydrophobicContact CG2-CG 3.82Å; V39-E56 HydrophobicContact CG1-CG 4.3Å; V39-L58 HydrophobicContact CG1-CD1 3.81Å |
| 40 | P | 93.4 | Very high | 93.1 | Very high | 90 Ų | 90 | 73.4 Ų | 73.4 | 58% | 0.584 | 41% | 0.413 | S | S | * | . | trans | -56.3 | 131.2 | 177.4 | -25.4 | 35.5 | 0 | 0 | 0 | 111.9 | E42 R52 | P40-E42 VanDerWaalsContact C-N 3.33Å; P40-E42 HydrophobicContact CB-CG 4.18Å; P40-E42 PolarHBondContact O-N 3.5Å; P40-R52 PolarHBondContact O-NH1 3.04Å; P40-R52 VanDerWaalsContact O-NH1 3.14Å | ||
| 41 | E | 88.6 | Confident | 93.1 | Very high | 119 Ų | 119 | 73.5 Ų | 73.5 | 56% | 0.556 | 41% | 0.413 | S | S | * | . | trans | -64.7 | -33.3 | -174.9 | 60.4 | -178.8 | -138.8 | 0 | 0 | 113.5 | V39 N43 D44 I49 | V39-E41 PolarHBondContact O-N 3.37Å; E41-N43 PolarHBondContact O-N 3.29Å; E41-D44 WeakPolarHBondContact O-CA 3.39Å; E41-D44 WeakPolarHBondContact O-CB 3.46Å; E41-D44 PolarHBondContact O-N 2.95Å; E41-I49 HydrophobicContact CB-CD1 3.93Å | ||
| 42 | E | 88.7 | Confident | 93.2 | Very high | 125 Ų | 125 | 69.8 Ų | 69.8 | 58% | 0.584 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 29.1 | 179.4 | -62.9 | -177.2 | 148.4 | 0 | 0 | 115.1 | P40 D44 R52 | P40-E42 VanDerWaalsContact C-N 3.33Å; P40-E42 HydrophobicContact CB-CG 4.18Å; P40-E42 PolarHBondContact O-N 3.5Å; E42-D44 PolarHBondContact O-N 3.42Å; E42-R52 IonicContact OE2-CZ 2.69Å; E42-R52 IonicContact OE2-NH1 3.53Å; E42-R52 PolarHBondContact OE2-NH1 3.42Å; E42-R52 IonicContact OE2-NH2 2.69Å; E42-R52 PolarHBondContact OE2-NH2 2.9Å |
| 43 | N | 87.3 | Confident | 93.3 | Very high | 158 Ų | 158 | 63.6 Ų | 63.6 | 85% | 0.845 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 20.9 | -170.7 | -57.8 | -76.1 | 0 | 0 | 0 | 115.2 | E41 | E41-N43 PolarHBondContact O-N 3.29Š|
| 44 | D | 90.8 | Very high | 93.8 | Very high | 55 Ų | 55 | 61.4 Ų | 61.4 | 29% | 0.294 | 33% | 0.333 | S | S | . | . | trans | -77.2 | 152.7 | 175.5 | -73.9 | -35 | 0 | 0 | 0 | 111.9 | E41 E42 V48 I49 R52 | E41-D44 WeakPolarHBondContact O-CA 3.39Å; E41-D44 WeakPolarHBondContact O-CB 3.46Å; E41-D44 PolarHBondContact O-N 2.95Å; E42-D44 PolarHBondContact O-N 3.42Å; D44-V48 HydrophobicContact CB-CB 4.05Å; D44-V48 HydrophobicContact CB-CG1 3.91Å; D44-I49 HydrophobicContact CB-CG1 3.88Å; D44-R52 IonicContact OD2-CZ 2.68Å; D44-R52 IonicContact OD2-NH1 3.57Å; D44-R52 PolarHBondContact OD2-NH1 3.39Å | ||
| 45 | K | 92.7 | Very high | 94.1 | Very high | 135 Ų | 135 | 60.7 Ų | 60.7 | 59% | 0.587 | 31% | 0.314 | S | S | * | . | trans | -69.5 | 151.4 | 170.2 | -62 | -175.6 | -179 | -179.2 | 0 | 109.6 | T47 V48 I49 | K45-T47 PolarHBondContact O-N 3.29Å; K45-V48 WeakPolarHBondContact O-CA 3.45Å; K45-V48 WeakPolarHBondContact O-CB 3.31Å; K45-V48 PolarHBondContact O-N 2.92Å; K45-I49 PolarHBondContact O-N 3.42Å | ||
| 46 | T | 95.1 | Very high | 94.2 | Very high | 29 Ų | 29 | 64.1 Ų | 64.1 | 18% | 0.178 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -52.8 | -33.1 | 177.9 | 56.3 | 0 | 0 | 0 | 0 | 114 | M30 Q31 V48 I49 A50 | M30-T46 HydrophobicContact CB-CG2 3.97Å; M30-T46 WeakPolarHBondContact CE-O 3.22Å; Q31-T46 VanDerWaalsContact CD-OG1 3.26Å; Q31-T46 HydrophobicContact CG-CG2 3.6Å; Q31-T46 VanDerWaalsContact CG-OG1 3.31Å; Q31-T46 WeakPolarHBondContact CG-OG1 3.27Å; Q31-T46 PolarHBondContact NE2-OG1 3Å; T46-V48 VanDerWaalsContact C-N 3.35Å; T46-V48 PolarHBondContact O-N 3.21Å; T46-I49 PolarHBondContact O-N 3.43Å; T46-A50 WeakPolarHBondContact O-CB 3.42Å; T46-A50 PolarHBondContact O-N 2.97Å |
| 47 | T | 94.6 | Very high | 94.3 | Very high | 75 Ų | 75 | 59.6 Ų | 59.6 | 46% | 0.46 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.5 | -37.5 | 174.4 | -47.7 | 0 | 0 | 0 | 0 | 112.9 | K45 L51 | K45-T47 PolarHBondContact O-N 3.29Å; T47-L51 WeakPolarHBondContact O-CG 3.26Å; T47-L51 PolarHBondContact O-N 2.92Å |
| 48 | V | 94.6 | Very high | 94.3 | Very high | 30 Ų | 30 | 60.5 Ų | 60.5 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -73.9 | -43.2 | 177.8 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | V4 D44 K45 T46 A50 L51 R52 | V4-V48 HydrophobicContact CG2-CG1 3.76Å; V4-V48 HydrophobicContact CG2-CG2 4.3Å; D44-V48 HydrophobicContact CB-CB 4.05Å; D44-V48 HydrophobicContact CB-CG1 3.91Å; K45-V48 WeakPolarHBondContact O-CA 3.45Å; K45-V48 WeakPolarHBondContact O-CB 3.31Å; K45-V48 PolarHBondContact O-N 2.92Å; T46-V48 VanDerWaalsContact C-N 3.35Å; T46-V48 PolarHBondContact O-N 3.21Å; V48-A50 VanDerWaalsContact C-N 3.28Å; V48-A50 PolarHBondContact O-N 3.45Å; V48-L51 WeakPolarHBondContact O-CB 3.29Å; V48-L51 PolarHBondContact O-N 3.44Å; V48-L51 VanDerWaalsContact O-N 3.11Å; V48-R52 WeakPolarHBondContact O-CG 3.47Å; V48-R52 PolarHBondContact O-N 2.92Å |
| 49 | I | 95.6 | Very high | 94.4 | Very high | 8 Ų | 8 | 57.3 Ų | 57.3 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55.7 | -46.4 | 173.5 | -62 | 174.4 | 0 | 0 | 0 | 110.1 | M30 P37 V39 E41 D44 K45 T46 L51 R52 E53 | M30-I49 HydrophobicContact CE-CB 4.12Å; M30-I49 HydrophobicContact CE-CG2 4.02Å; M30-I49 HydrophobicContact SD-CB 4.31Å; M30-I49 HydrophobicContact SD-CG2 3.73Å; P37-I49 HydrophobicContact CB-CG2 3.65Å; V39-I49 HydrophobicContact CG2-CG2 3.73Å; E41-I49 HydrophobicContact CB-CD1 3.93Å; D44-I49 HydrophobicContact CB-CG1 3.88Å; K45-I49 PolarHBondContact O-N 3.42Å; T46-I49 PolarHBondContact O-N 3.43Å; I49-L51 VanDerWaalsContact C-N 3.32Å; I49-L51 PolarHBondContact O-N 3.49Å; I49-R52 PolarHBondContact O-N 2.99Å; I49-E53 HydrophobicContact CG2-CG 4.44Å; I49-E53 WeakPolarHBondContact O-CG 3.42Å; I49-E53 PolarHBondContact O-N 3.22Å |
| 50 | A | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.8 | -38.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R26 A27 M30 T46 V48 I54 | R26-A50 HydrophobicContact CB-CB 4.05Å; R26-A50 HydrophobicContact CG-CB 3.86Å; A27-A50 HydrophobicContact CB-CB 4.37Å; M30-A50 HydrophobicContact CE-CB 3.83Å; T46-A50 WeakPolarHBondContact O-CB 3.42Å; T46-A50 PolarHBondContact O-N 2.97Å; V48-A50 VanDerWaalsContact C-N 3.28Å; V48-A50 PolarHBondContact O-N 3.45Å; A50-I54 WeakPolarHBondContact O-CD1 3.3Å; A50-I54 WeakPolarHBondContact O-CG1 3.41Å; A50-I54 PolarHBondContact O-N 3.49Å; A50-I54 VanDerWaalsContact O-N 3.16Å |
| 51 | L | 96.2 | Very high | 94.5 | Very high | 22 Ų | 22 | 58.6 Ų | 58.6 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.7 | -43.3 | 175.5 | -72.4 | 165.5 | 0 | 0 | 0 | 111.4 | V4 V6 A9 L19 A23 T47 V48 I49 E53 I54 E55 | V4-L51 HydrophobicContact CG1-CD1 4.25Å; V6-L51 HydrophobicContact CG1-CD1 3.79Å; V6-L51 HydrophobicContact CG1-CD2 4.08Å; A9-L51 HydrophobicContact CB-CD2 4.18Å; L19-L51 HydrophobicContact CD1-CD2 4.01Å; L19-L51 HydrophobicContact CG-CD2 4.43Å; A23-L51 HydrophobicContact CB-CD2 4.11Å; T47-L51 WeakPolarHBondContact O-CG 3.26Å; T47-L51 PolarHBondContact O-N 2.92Å; V48-L51 WeakPolarHBondContact O-CB 3.29Å; V48-L51 PolarHBondContact O-N 3.44Å; V48-L51 VanDerWaalsContact O-N 3.11Å; I49-L51 VanDerWaalsContact C-N 3.32Å; I49-L51 PolarHBondContact O-N 3.49Å; L51-E53 PolarHBondContact O-N 2.86Å; L51-I54 WeakPolarHBondContact O-CB 3.43Å; L51-I54 PolarHBondContact O-N 3.14Å; L51-I54 VanDerWaalsContact O-N 3.11Å; L51-E55 WeakPolarHBondContact O-CG 3.33Å; L51-E55 PolarHBondContact O-N 3.13Å |
| 52 | R | 95.4 | Very high | 94.9 | Very high | 53 Ų | 53 | 59.1 Ų | 59.1 | 20% | 0.2 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 176.7 | -68.2 | 171.2 | 63 | -172.1 | 2.8 | 112.3 | V39 P40 E42 D44 V48 I49 I54 E55 E56 | V39-R52 HydrophobicContact CG2-CB 4.1Å; P40-R52 PolarHBondContact O-NH1 3.04Å; P40-R52 VanDerWaalsContact O-NH1 3.14Å; E42-R52 IonicContact OE2-CZ 2.69Å; E42-R52 IonicContact OE2-NH1 3.53Å; E42-R52 PolarHBondContact OE2-NH1 3.42Å; E42-R52 IonicContact OE2-NH2 2.69Å; E42-R52 PolarHBondContact OE2-NH2 2.9Å; D44-R52 IonicContact OD2-CZ 2.68Å; D44-R52 IonicContact OD2-NH1 3.57Å; D44-R52 PolarHBondContact OD2-NH1 3.39Å; V48-R52 WeakPolarHBondContact O-CG 3.47Å; V48-R52 PolarHBondContact O-N 2.92Å; I49-R52 PolarHBondContact O-N 2.99Å; R52-I54 PolarHBondContact O-N 3.3Å; R52-E55 WeakPolarHBondContact O-CB 3.44Å; R52-E55 PolarHBondContact O-N 2.69Å; R52-E56 WeakPolarHBondContact O-CG 3.4Å; R52-E56 PolarHBondContact O-N 3.44Å |
| 53 | E | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.2 | -33.6 | 173.4 | -69.3 | 175.1 | 153.6 | 0 | 0 | 112.5 | R26 L38 V39 I49 L51 G57 L58 I59 | R26-E53 WeakPolarHBondContact CD-OE2 3.49Å; R26-E53 WeakPolarHBondContact CG-OE2 3.44Å; R26-E53 IonicContact CZ-OE1 3.67Å; R26-E53 IonicContact CZ-OE2 2.68Å; R26-E53 IonicContact NE-OE1 2.99Å; R26-E53 IonicContact NE-OE2 3.94Å; R26-E53 PolarHBondContact NE-OE2 3.42Å; R26-E53 IonicContact NH2-OE1 2.92Å; R26-E53 PolarHBondContact NH2-OE1 3.42Å; R26-E53 IonicContact NH2-OE2 3.32Å; R26-E53 PolarHBondContact NH2-OE2 3.1Å; L38-E53 HydrophobicContact CB-CG 4.16Å; L38-E53 WeakPolarHBondContact CB-OE1 3.44Å; L38-E53 WeakPolarHBondContact CG-OE1 3.38Å; L38-E53 PolarHBondContact N-OE1 3.41Å; V39-E53 HydrophobicContact CB-CG 4.45Å; V39-E53 HydrophobicContact CG1-CG 3.97Å; V39-E53 HydrophobicContact CG2-CG 3.82Å; I49-E53 HydrophobicContact CG2-CG 4.44Å; I49-E53 WeakPolarHBondContact O-CG 3.42Å; I49-E53 PolarHBondContact O-N 3.22Å; L51-E53 PolarHBondContact O-N 2.86Å; E53-G57 PolarHBondContact O-N 3.37Å; E53-L58 WeakPolarHBondContact O-CA 3.31Å; E53-L58 WeakPolarHBondContact O-CB 3.13Å; E53-L58 PolarHBondContact O-N 3.03Å; E53-I59 HydrophobicContact CB-CB 4.14Å; E53-I59 HydrophobicContact CB-CG1 3.71Å; E53-I59 HydrophobicContact CG-CG1 4.45Å; E53-I59 PolarHBondContact O-N 3.15Å |
| 54 | I | 97.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -72.6 | -40.3 | 175.2 | -67.4 | 163 | 0 | 0 | 0 | 110.7 | A9 K12 I13 L19 V22 A23 A50 L51 R52 E56 G57 I59 | A9-I54 HydrophobicContact CB-CG2 4.14Å; K12-I54 HydrophobicContact CB-CG2 4.26Å; K12-I54 WeakPolarHBondContact CG-O 3.43Å; I13-I54 HydrophobicContact CD1-CG2 3.93Å; I13-I54 HydrophobicContact CG1-CG2 3.66Å; L19-I54 HydrophobicContact CD1-CD1 3.91Å; L19-I54 HydrophobicContact CD1-CG2 4.02Å; V22-I54 HydrophobicContact CG1-CD1 3.94Å; V22-I54 HydrophobicContact CG1-CG1 4.36Å; A23-I54 HydrophobicContact CB-CD1 3.87Å; A50-I54 WeakPolarHBondContact O-CD1 3.3Å; A50-I54 WeakPolarHBondContact O-CG1 3.41Å; A50-I54 PolarHBondContact O-N 3.49Å; A50-I54 VanDerWaalsContact O-N 3.16Å; L51-I54 WeakPolarHBondContact O-CB 3.43Å; L51-I54 PolarHBondContact O-N 3.14Å; L51-I54 VanDerWaalsContact O-N 3.11Å; R52-I54 PolarHBondContact O-N 3.3Å; I54-E56 PolarHBondContact O-N 3.25Å; I54-G57 WeakPolarHBondContact O-CA 3.39Å; I54-G57 PolarHBondContact O-N 3.07Å; I54-I59 HydrophobicContact CG1-CB 4.04Å; I54-I59 HydrophobicContact CG1-CG2 3.94Å; I54-I59 WeakPolarHBondContact CG1-O 3.19Å |
| 55 | E | 95.8 | Very high | 95.9 | Very high | 43 Ų | 43 | 47 Ų | 47 | 20% | 0.201 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.4 | -43.3 | 176 | -71.4 | 172 | 167.9 | 0 | 0 | 111.9 | D8 A9 K12 L51 R52 G57 | D8-E55 HydrophobicContact CB-CB 4.46Å; D8-E55 HydrophobicContact CB-CG 3.86Å; A9-E55 HydrophobicContact CB-CG 3.77Å; K12-E55 WeakPolarHBondContact CE-O 3.33Å; K12-E55 PolarHBondContact NZ-O 3.42Å; L51-E55 WeakPolarHBondContact O-CG 3.33Å; L51-E55 PolarHBondContact O-N 3.13Å; R52-E55 WeakPolarHBondContact O-CB 3.44Å; R52-E55 PolarHBondContact O-N 2.69Å; E55-G57 PolarHBondContact O-N 2.68Å |
| 56 | E | 95.8 | Very high | 96 | Very high | 139 Ų | 139 | 43.5 Ų | 43.5 | 65% | 0.65 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -5.4 | 174.1 | -63.7 | -62.5 | 165.9 | 0 | 0 | 113.1 | V39 R52 I54 L58 | V39-E56 HydrophobicContact CG1-CG 4.3Å; R52-E56 WeakPolarHBondContact O-CG 3.4Å; R52-E56 PolarHBondContact O-N 3.44Å; I54-E56 PolarHBondContact O-N 3.25Å; E56-L58 HydrophobicContact CB-CD1 3.97Å; E56-L58 HydrophobicContact CB-CG 3.87Å; E56-L58 PolarHBondContact O-N 3.31Å |
| 57 | G | 96 | Very high | 95.9 | Very high | 36 Ų | 36 | 45.7 Ų | 45.7 | 37% | 0.371 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 14.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | E53 I54 E55 I59 | E53-G57 PolarHBondContact O-N 3.37Å; I54-G57 WeakPolarHBondContact O-CA 3.39Å; I54-G57 PolarHBondContact O-N 3.07Å; E55-G57 PolarHBondContact O-N 2.68Å; G57-I59 VanDerWaalsContact C-N 3.34Å |
| 58 | L | 97.4 | Very high | 95.8 | Very high | 69 Ų | 69 | 45.7 Ų | 45.7 | 36% | 0.361 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -77.7 | -23.2 | 178.9 | -59 | 174.1 | 0 | 0 | 0 | 112.2 | L38 V39 E53 E56 I63 | L38-L58 HydrophobicContact CB-CD1 3.94Å; L38-L58 HydrophobicContact CD1-CB 3.95Å; V39-L58 HydrophobicContact CG1-CD1 3.81Å; E53-L58 WeakPolarHBondContact O-CA 3.31Å; E53-L58 WeakPolarHBondContact O-CB 3.13Å; E53-L58 PolarHBondContact O-N 3.03Å; E56-L58 HydrophobicContact CB-CD1 3.97Å; E56-L58 HydrophobicContact CB-CG 3.87Å; E56-L58 PolarHBondContact O-N 3.31Å; L58-I63 WeakPolarHBondContact O-CD1 3.46Å |
| 59 | I | 97.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | trans | -130.2 | 130.7 | 179.2 | -65.1 | -65.7 | 0 | 0 | 0 | 110.2 | V22 R26 L38 E53 I54 G57 I63 L64 | V22-I59 HydrophobicContact CG1-CG2 3.95Å; R26-I59 HydrophobicContact CB-CG2 4.15Å; R26-I59 HydrophobicContact CG-CD1 4.44Å; R26-I59 HydrophobicContact CG-CG1 4.17Å; R26-I59 HydrophobicContact CG-CG2 4.1Å; L38-I59 HydrophobicContact CD1-CD1 3.8Å; L38-I59 HydrophobicContact CD1-CG1 4.01Å; E53-I59 HydrophobicContact CB-CB 4.14Å; E53-I59 HydrophobicContact CB-CG1 3.71Å; E53-I59 HydrophobicContact CG-CG1 4.45Å; E53-I59 PolarHBondContact O-N 3.15Å; I54-I59 HydrophobicContact CG1-CB 4.04Å; I54-I59 HydrophobicContact CG1-CG2 3.94Å; I54-I59 WeakPolarHBondContact CG1-O 3.19Å; G57-I59 VanDerWaalsContact C-N 3.34Å; I59-I63 HydrophobicContact CD1-CG2 4.43Å; I59-L64 HydrophobicContact CD1-CD2 3.9Å; I59-L64 HydrophobicContact CG2-CD1 4.15Å; I59-L64 HydrophobicContact CG2-CD2 4.02Å; I59-L64 HydrophobicContact CG2-CG 4.04Å | ||
| 60 | N | 96.4 | Very high | 95.7 | Very high | 56 Ų | 56 | 55 Ų | 55 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | trans | -150.3 | 176.6 | 163.9 | 64.8 | 43.3 | 0 | 0 | 0 | 108.2 | I13 Q62 I63 L64 | I13-N60 HydrophobicContact CD1-CB 4.01Å; N60-Q62 VanDerWaalsContact C-N 3.31Å; N60-Q62 PolarHBondContact O-N 3.21Å; N60-Q62 WeakPolarHBondContact OD1-CA 3.27Å; N60-Q62 WeakPolarHBondContact OD1-CB 3.49Å; N60-Q62 PolarHBondContact OD1-N 3.02Å; N60-I63 WeakPolarHBondContact ND2-CD1 3.34Å; N60-I63 PolarHBondContact O-N 2.87Å; N60-I63 WeakPolarHBondContact OD1-CG1 3.08Å; N60-I63 PolarHBondContact OD1-N 3.34Å; N60-L64 WeakPolarHBondContact O-CG 3.35Å; N60-L64 PolarHBondContact O-N 3.28Å | ||
| 61 | N | 95.2 | Very high | 95.4 | Very high | 76 Ų | 76 | 57.4 Ų | 57.4 | 41% | 0.406 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.8 | -42.1 | -176.8 | -166.7 | 43.8 | 0 | 0 | 0 | 113.1 | V22 R25 L64 D65 | V22-N61 HydrophobicContact CG2-CB 3.79Å; R25-N61 PolarHBondContact NH1-OD1 3.16Å; N61-L64 PolarHBondContact O-N 3.35Å; N61-D65 VanDerWaalsContact O-CG 3.32Å; N61-D65 PolarHBondContact O-N 3.24Å; N61-D65 VanDerWaalsContact O-N 3.07Å |
| 62 | Q | 95.9 | Very high | 95.2 | Very high | 129 Ų | 129 | 61.6 Ų | 61.6 | 60% | 0.603 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -65.9 | -41.7 | 179.9 | -61.7 | -68.4 | -83.6 | 0 | 0 | 112 | N60 L64 D65 V66 | N60-Q62 VanDerWaalsContact C-N 3.31Å; N60-Q62 PolarHBondContact O-N 3.21Å; N60-Q62 WeakPolarHBondContact OD1-CA 3.27Å; N60-Q62 WeakPolarHBondContact OD1-CB 3.49Å; N60-Q62 PolarHBondContact OD1-N 3.02Å; Q62-L64 VanDerWaalsContact C-N 3.33Å; Q62-L64 PolarHBondContact O-N 2.96Å; Q62-D65 PolarHBondContact O-N 2.97Å; Q62-V66 VanDerWaalsContact O-CG2 3.32Å; Q62-V66 WeakPolarHBondContact O-CG2 3.21Å; Q62-V66 PolarHBondContact O-N 3.17Å |
| 63 | I | 96.4 | Very high | 95.2 | Very high | 45 Ų | 45 | 65 Ų | 65 | 23% | 0.231 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 177.6 | -67.2 | 169.8 | 0 | 0 | 0 | 110.3 | L58 I59 N60 V66 R67 | L58-I63 WeakPolarHBondContact O-CD1 3.46Å; I59-I63 HydrophobicContact CD1-CG2 4.43Å; N60-I63 WeakPolarHBondContact ND2-CD1 3.34Å; N60-I63 PolarHBondContact O-N 2.87Å; N60-I63 WeakPolarHBondContact OD1-CG1 3.08Å; N60-I63 PolarHBondContact OD1-N 3.34Å; I63-V66 PolarHBondContact O-N 3.49Å; I63-R67 HydrophobicContact CG2-CG 4.37Å; I63-R67 WeakPolarHBondContact O-CB 3.47Å; I63-R67 VanDerWaalsContact O-CG 3.3Å; I63-R67 WeakPolarHBondContact O-CG 3.44Å; I63-R67 PolarHBondContact O-N 2.78Å |
| 64 | L | 95.7 | Very high | 95 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.8 | -45 | 177.6 | -66.7 | 179.4 | 0 | 0 | 0 | 111.5 | V22 R25 R26 I59 N60 N61 Q62 R67 E68 | V22-L64 HydrophobicContact CG1-CD1 3.91Å; R25-L64 HydrophobicContact CB-CD1 4.27Å; R25-L64 HydrophobicContact CG-CD1 4.08Å; R26-L64 HydrophobicContact CB-CD1 4.45Å; R26-L64 HydrophobicContact CB-CD2 4.47Å; I59-L64 HydrophobicContact CD1-CD2 3.9Å; I59-L64 HydrophobicContact CG2-CD1 4.15Å; I59-L64 HydrophobicContact CG2-CD2 4.02Å; I59-L64 HydrophobicContact CG2-CG 4.04Å; N60-L64 WeakPolarHBondContact O-CG 3.35Å; N60-L64 PolarHBondContact O-N 3.28Å; N61-L64 PolarHBondContact O-N 3.35Å; Q62-L64 VanDerWaalsContact C-N 3.33Å; Q62-L64 PolarHBondContact O-N 2.96Å; L64-R67 PolarHBondContact O-N 2.87Å; L64-E68 WeakPolarHBondContact O-CG 3.46Å; L64-E68 PolarHBondContact O-N 3.06Å |
| 65 | D | 96.1 | Very high | 94.7 | Very high | 39 Ų | 39 | 77.3 Ų | 77.3 | 21% | 0.209 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 178.8 | -67.7 | -19.3 | 0 | 0 | 0 | 112.7 | R25 N61 Q62 R69 | R25-D65 IonicContact CZ-OD1 2.75Å; R25-D65 VanDerWaalsContact CZ-OD1 3.28Å; R25-D65 IonicContact NH1-OD1 3.5Å; R25-D65 PolarHBondContact NH1-OD1 3.05Å; R25-D65 IonicContact NH2-OD1 3.51Å; R25-D65 PolarHBondContact NH2-OD1 2.9Å; N61-D65 VanDerWaalsContact O-CG 3.32Å; N61-D65 PolarHBondContact O-N 3.24Å; N61-D65 VanDerWaalsContact O-N 3.07Å; Q62-D65 PolarHBondContact O-N 2.97Å; D65-R69 WeakPolarHBondContact O-CG 3.47Å; D65-R69 PolarHBondContact O-N 2.88Å |
| 66 | V | 95.4 | Very high | 94.6 | Very high | 62 Ų | 62 | 80.1 Ų | 80.1 | 38% | 0.376 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.9 | -45.5 | 177.8 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | Q62 I63 E68 R69 Q70 | Q62-V66 VanDerWaalsContact O-CG2 3.32Å; Q62-V66 WeakPolarHBondContact O-CG2 3.21Å; Q62-V66 PolarHBondContact O-N 3.17Å; I63-V66 PolarHBondContact O-N 3.49Å; V66-E68 PolarHBondContact O-N 3.5Å; V66-R69 PolarHBondContact O-N 2.88Å; V66-Q70 HydrophobicContact CG1-CG 4.35Å; V66-Q70 WeakPolarHBondContact O-CG 3.43Å; V66-Q70 PolarHBondContact O-N 2.69Å |
| 67 | R | 92.5 | Very high | 94.5 | Very high | 75 Ų | 75 | 75.8 Ų | 75.8 | 28% | 0.283 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 179.3 | -74.5 | -178.7 | -176.2 | -157.8 | 5.9 | 112 | L38 I63 L64 R69 Q70 E71 | L38-R67 VanDerWaalsContact CD1-NH2 3.34Å; I63-R67 HydrophobicContact CG2-CG 4.37Å; I63-R67 WeakPolarHBondContact O-CB 3.47Å; I63-R67 VanDerWaalsContact O-CG 3.3Å; I63-R67 WeakPolarHBondContact O-CG 3.44Å; I63-R67 PolarHBondContact O-N 2.78Å; L64-R67 PolarHBondContact O-N 2.87Å; R67-R69 VanDerWaalsContact C-N 3.31Å; R67-R69 PolarHBondContact O-N 2.98Å; R67-Q70 PolarHBondContact O-N 3.19Å; R67-E71 WeakPolarHBondContact O-CB 3.48Å; R67-E71 VanDerWaalsContact O-CG 3.22Å; R67-E71 WeakPolarHBondContact O-CG 3.28Å; R67-E71 PolarHBondContact O-N 2.81Å |
| 68 | E | 92.1 | Very high | 94.4 | Very high | 75 Ų | 75 | 76.7 Ų | 76.7 | 35% | 0.35 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 178.2 | -75.1 | 176.4 | -162.9 | 0 | 0 | 112.1 | R25 Q29 L64 V66 Q72 | R25-E68 IonicContact CZ-OE1 2.73Å; R25-E68 IonicContact CZ-OE2 3.88Å; R25-E68 IonicContact NE-OE1 3.28Å; R25-E68 PolarHBondContact NE-OE1 3.48Å; R25-E68 IonicContact NE-OE2 2.94Å; R25-E68 IonicContact NH2-OE1 2.83Å; R25-E68 PolarHBondContact NH2-OE1 3Å; R25-E68 IonicContact NH2-OE2 3.18Å; R25-E68 PolarHBondContact NH2-OE2 3.19Å; Q29-E68 PolarHBondContact NE2-OE1 2.75Å; L64-E68 WeakPolarHBondContact O-CG 3.46Å; L64-E68 PolarHBondContact O-N 3.06Å; V66-E68 PolarHBondContact O-N 3.5Å; E68-Q72 WeakPolarHBondContact O-CB 3.25Å; E68-Q72 PolarHBondContact O-N 3.5Å |
| 69 | R | 94.3 | Very high | 94.2 | Very high | 136 Ų | 136 | 79.8 Ų | 79.8 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 174.5 | -71.5 | -176.8 | -134 | 131.8 | 1.4 | 112.6 | D65 V66 R67 E71 Q72 Q73 | D65-R69 WeakPolarHBondContact O-CG 3.47Å; D65-R69 PolarHBondContact O-N 2.88Å; V66-R69 PolarHBondContact O-N 2.88Å; R67-R69 VanDerWaalsContact C-N 3.31Å; R67-R69 PolarHBondContact O-N 2.98Å; R69-E71 VanDerWaalsContact C-N 3.35Å; R69-Q72 PolarHBondContact O-N 3.23Å; R69-Q73 VanDerWaalsContact O-CG 3.27Å; R69-Q73 WeakPolarHBondContact O-CG 3.49Å; R69-Q73 PolarHBondContact O-N 3.4Å |
| 70 | Q | 93.9 | Very high | 93.9 | Very high | 97 Ų | 97 | 85.2 Ų | 85.2 | 45% | 0.453 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 177.3 | -75.3 | 174.9 | -32.2 | 0 | 0 | 110.8 | V66 R67 Q72 Q73 E74 | V66-Q70 HydrophobicContact CG1-CG 4.35Å; V66-Q70 WeakPolarHBondContact O-CG 3.43Å; V66-Q70 PolarHBondContact O-N 2.69Å; R67-Q70 PolarHBondContact O-N 3.19Å; Q70-Q72 VanDerWaalsContact C-N 3.34Å; Q70-Q72 PolarHBondContact O-N 3.41Å; Q70-Q73 PolarHBondContact O-N 3.14Å; Q70-E74 WeakPolarHBondContact O-CB 3.41Å; Q70-E74 VanDerWaalsContact O-CG 3.31Å; Q70-E74 WeakPolarHBondContact O-CG 3.49Å; Q70-E74 PolarHBondContact O-N 3.33Å |
| 71 | E | 91.1 | Very high | 93.7 | Very high | 50 Ų | 50 | 89.2 Ų | 89.2 | 23% | 0.234 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 177.9 | -70.6 | 172.6 | -175.7 | 0 | 0 | 112.2 | K35 R67 R69 E74 Q75 | K35-E71 WeakPolarHBondContact CE-OE1 3.14Å; K35-E71 VanDerWaalsContact CE-OE2 3.29Å; K35-E71 WeakPolarHBondContact CE-OE2 3.44Å; K35-E71 IonicContact NZ-OE1 2.77Å; K35-E71 PolarHBondContact NZ-OE1 3.43Å; K35-E71 IonicContact NZ-OE2 2.84Å; K35-E71 PolarHBondContact NZ-OE2 3.46Å; R67-E71 WeakPolarHBondContact O-CB 3.48Å; R67-E71 VanDerWaalsContact O-CG 3.22Å; R67-E71 WeakPolarHBondContact O-CG 3.28Å; R67-E71 PolarHBondContact O-N 2.81Å; R69-E71 VanDerWaalsContact C-N 3.35Å; E71-E74 PolarHBondContact O-N 3.5Å; E71-Q75 WeakPolarHBondContact O-CB 3.36Å; E71-Q75 WeakPolarHBondContact O-CG 3.5Å; E71-Q75 PolarHBondContact O-N 2.93Å |
| 72 | Q | 92.6 | Very high | 93.6 | Very high | 110 Ų | 110 | 88.1 Ų | 88.1 | 51% | 0.514 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 174.8 | -176.2 | -177.2 | -10.4 | 0 | 0 | 111.1 | E68 R69 Q70 E74 Q75 E76 | E68-Q72 WeakPolarHBondContact O-CB 3.25Å; E68-Q72 PolarHBondContact O-N 3.5Å; R69-Q72 PolarHBondContact O-N 3.23Å; Q70-Q72 VanDerWaalsContact C-N 3.34Å; Q70-Q72 PolarHBondContact O-N 3.41Å; Q72-E74 PolarHBondContact O-N 3.2Å; Q72-Q75 PolarHBondContact O-N 3.49Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.47Å; Q72-E76 PolarHBondContact NE2-OE1 2.86Å; Q72-E76 WeakPolarHBondContact O-CB 3.47Å; Q72-E76 VanDerWaalsContact O-CG 3.31Å; Q72-E76 WeakPolarHBondContact O-CG 3.44Å; Q72-E76 PolarHBondContact O-N 3.03Å |
| 73 | Q | 94.4 | Very high | 93.4 | Very high | 125 Ų | 125 | 86 Ų | 86 | 58% | 0.584 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64.3 | -40 | 178.6 | -72.2 | 172.8 | -8.5 | 0 | 0 | 112.4 | R69 Q70 E76 A77 | R69-Q73 VanDerWaalsContact O-CG 3.27Å; R69-Q73 WeakPolarHBondContact O-CG 3.49Å; R69-Q73 PolarHBondContact O-N 3.4Å; Q70-Q73 PolarHBondContact O-N 3.14Å; Q73-E76 PolarHBondContact O-N 2.93Å; Q73-A77 VanDerWaalsContact O-CB 3.28Å; Q73-A77 WeakPolarHBondContact O-CB 3.38Å; Q73-A77 PolarHBondContact O-N 3.42Å |
| 74 | E | 93.2 | Very high | 93.2 | Very high | 130 Ų | 130 | 86.8 Ų | 86.8 | 61% | 0.607 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.8 | -41.5 | 176.4 | -74.4 | 171.6 | -172.5 | 0 | 0 | 111.6 | Q70 E71 Q72 A77 A78 | Q70-E74 WeakPolarHBondContact O-CB 3.41Å; Q70-E74 VanDerWaalsContact O-CG 3.31Å; Q70-E74 WeakPolarHBondContact O-CG 3.49Å; Q70-E74 PolarHBondContact O-N 3.33Å; E71-E74 PolarHBondContact O-N 3.5Å; Q72-E74 PolarHBondContact O-N 3.2Å; E74-A77 PolarHBondContact O-N 3.11Å; E74-A78 VanDerWaalsContact O-CB 3.26Å; E74-A78 WeakPolarHBondContact O-CB 3.21Å; E74-A78 PolarHBondContact O-N 3.33Å |
| 75 | Q | 91.7 | Very high | 93 | Very high | 130 Ų | 130 | 89.5 Ų | 89.5 | 61% | 0.607 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.3 | -47.5 | 175.2 | -72.9 | 169.4 | 20.1 | 0 | 0 | 111.6 | E71 Q72 A77 A78 E79 | E71-Q75 WeakPolarHBondContact O-CB 3.36Å; E71-Q75 WeakPolarHBondContact O-CG 3.5Å; E71-Q75 PolarHBondContact O-N 2.93Å; Q72-Q75 PolarHBondContact O-N 3.49Å; Q75-A77 VanDerWaalsContact C-N 3.35Å; Q75-A77 PolarHBondContact O-N 3.16Å; Q75-A78 PolarHBondContact O-N 3.49Å; Q75-E79 WeakPolarHBondContact O-CB 3.43Å; Q75-E79 PolarHBondContact O-N 2.98Å |
| 76 | E | 93 | Very high | 92.7 | Very high | 102 Ų | 102 | 93.8 Ų | 93.8 | 48% | 0.477 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 177.5 | -73.1 | 172.1 | -171 | 0 | 0 | 111.6 | Q72 Q73 E79 L80 | Q72-E76 WeakPolarHBondContact CG-OE1 3.47Å; Q72-E76 PolarHBondContact NE2-OE1 2.86Å; Q72-E76 WeakPolarHBondContact O-CB 3.47Å; Q72-E76 VanDerWaalsContact O-CG 3.31Å; Q72-E76 WeakPolarHBondContact O-CG 3.44Å; Q72-E76 PolarHBondContact O-N 3.03Å; Q73-E76 PolarHBondContact O-N 2.93Å; E76-E79 PolarHBondContact O-N 3.2Å; E76-L80 WeakPolarHBondContact O-CB 3.35Å; E76-L80 PolarHBondContact O-N 3.36Å |
| 77 | A | 93.5 | Very high | 92.4 | Very high | 47 Ų | 47 | 93.8 Ų | 93.8 | 39% | 0.388 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.8 | -42.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q73 E74 Q75 L80 Q81 | Q73-A77 VanDerWaalsContact O-CB 3.28Å; Q73-A77 WeakPolarHBondContact O-CB 3.38Å; Q73-A77 PolarHBondContact O-N 3.42Å; E74-A77 PolarHBondContact O-N 3.11Å; Q75-A77 VanDerWaalsContact C-N 3.35Å; Q75-A77 PolarHBondContact O-N 3.16Å; A77-L80 PolarHBondContact O-N 3.18Å; A77-Q81 VanDerWaalsContact O-CG 3.3Å; A77-Q81 WeakPolarHBondContact O-CG 3.5Å; A77-Q81 PolarHBondContact O-N 3.2Å |
| 78 | A | 93.6 | Very high | 92.1 | Very high | 55 Ų | 55 | 96.6 Ų | 96.6 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E74 Q75 Q81 A82 | E74-A78 VanDerWaalsContact O-CB 3.26Å; E74-A78 WeakPolarHBondContact O-CB 3.21Å; E74-A78 PolarHBondContact O-N 3.33Å; Q75-A78 PolarHBondContact O-N 3.49Å; A78-Q81 PolarHBondContact O-N 2.83Å; A78-A82 WeakPolarHBondContact O-CB 3.49Å; A78-A82 PolarHBondContact O-N 3.05Å |
| 79 | E | 92.8 | Very high | 91.3 | Very high | 134 Ų | 134 | 96.2 Ų | 96.2 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.8 | -47.8 | 175 | -175.6 | 176.4 | -176.3 | 0 | 0 | 111.2 | Q75 E76 Q81 A82 V83 | Q75-E79 WeakPolarHBondContact O-CB 3.43Å; Q75-E79 PolarHBondContact O-N 2.98Å; E76-E79 PolarHBondContact O-N 3.2Å; E79-Q81 VanDerWaalsContact C-N 3.32Å; E79-Q81 PolarHBondContact O-N 3.37Å; E79-A82 PolarHBondContact O-N 2.91Å; E79-V83 WeakPolarHBondContact O-CG2 3.1Å; E79-V83 PolarHBondContact O-N 3.38Å |
| 80 | L | 92.2 | Very high | 90.2 | Very high | 117 Ų | 117 | 100.9 Ų | 100.9 | 61% | 0.613 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.7 | -41.2 | 178.3 | -176.9 | 64.4 | 0 | 0 | 0 | 112.2 | E76 A77 V83 T84 | E76-L80 WeakPolarHBondContact O-CB 3.35Å; E76-L80 PolarHBondContact O-N 3.36Å; A77-L80 PolarHBondContact O-N 3.18Å; L80-V83 PolarHBondContact O-N 2.99Å; L80-T84 WeakPolarHBondContact O-CB 3.45Å; L80-T84 PolarHBondContact O-N 3.35Å; L80-T84 PolarHBondContact O-OG1 3.11Å |
| 81 | Q | 92.7 | Very high | 88.6 | Confident | 140 Ų | 140 | 109.8 Ų | 109.8 | 65% | 0.654 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.5 | -44.9 | 175.4 | -74.9 | 177.9 | 4 | 0 | 0 | 111.6 | A77 A78 E79 V83 T84 A85 | A77-Q81 VanDerWaalsContact O-CG 3.3Å; A77-Q81 WeakPolarHBondContact O-CG 3.5Å; A77-Q81 PolarHBondContact O-N 3.2Å; A78-Q81 PolarHBondContact O-N 2.83Å; E79-Q81 VanDerWaalsContact C-N 3.32Å; E79-Q81 PolarHBondContact O-N 3.37Å; Q81-V83 PolarHBondContact O-N 2.98Å; Q81-T84 PolarHBondContact O-N 3.14Å; Q81-A85 WeakPolarHBondContact O-CB 3.4Å; Q81-A85 PolarHBondContact O-N 3.37Å |
| 82 | A | 92.3 | Very high | 88.5 | Confident | 53 Ų | 53 | 112.8 Ų | 112.8 | 44% | 0.438 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61 | -43.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A78 E79 T84 A85 I86 | A78-A82 WeakPolarHBondContact O-CB 3.49Å; A78-A82 PolarHBondContact O-N 3.05Å; E79-A82 PolarHBondContact O-N 2.91Å; A82-T84 VanDerWaalsContact C-N 3.33Å; A82-T84 PolarHBondContact O-N 2.94Å; A82-A85 PolarHBondContact O-N 2.75Å; A82-I86 WeakPolarHBondContact O-CD1 3.47Å; A82-I86 VanDerWaalsContact O-CG1 3.26Å; A82-I86 WeakPolarHBondContact O-CG1 3.48Å; A82-I86 PolarHBondContact O-N 2.85Å; A82-I86 VanDerWaalsContact O-N 3.1Å |
| 83 | V | 92.3 | Very high | 88.3 | Confident | 85 Ų | 85 | 112.9 Ų | 112.9 | 52% | 0.515 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62 | -42.1 | 176.7 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | E79 L80 Q81 I86 A87 | E79-V83 WeakPolarHBondContact O-CG2 3.1Å; E79-V83 PolarHBondContact O-N 3.38Å; L80-V83 PolarHBondContact O-N 2.99Å; Q81-V83 PolarHBondContact O-N 2.98Å; V83-I86 PolarHBondContact O-N 3.24Å; V83-A87 PolarHBondContact O-N 3.34Å; V83-A87 VanDerWaalsContact O-N 3.11Å |
| 84 | T | 92.2 | Very high | 87.9 | Confident | 60 Ų | 60 | 112.3 Ų | 112.3 | 37% | 0.368 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.9 | -46.1 | 179 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | L80 Q81 A82 I86 A87 E88 | L80-T84 WeakPolarHBondContact O-CB 3.45Å; L80-T84 PolarHBondContact O-N 3.35Å; L80-T84 PolarHBondContact O-OG1 3.11Å; Q81-T84 PolarHBondContact O-N 3.14Å; A82-T84 VanDerWaalsContact C-N 3.33Å; A82-T84 PolarHBondContact O-N 2.94Å; T84-I86 VanDerWaalsContact C-N 3.32Å; T84-I86 PolarHBondContact O-N 2.84Å; T84-A87 WeakPolarHBondContact O-CB 3.2Å; T84-A87 PolarHBondContact O-N 3.14Å; T84-A87 VanDerWaalsContact O-N 3.07Å; T84-E88 HydrophobicContact CG2-CG 4.45Å; T84-E88 WeakPolarHBondContact O-CG 3.5Å; T84-E88 PolarHBondContact O-N 3.35Å |
| 85 | A | 91.1 | Very high | 87.6 | Confident | 58 Ų | 58 | 111.2 Ų | 111.2 | 48% | 0.479 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.6 | -38.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q81 A82 A87 E88 G89 | Q81-A85 WeakPolarHBondContact O-CB 3.4Å; Q81-A85 PolarHBondContact O-N 3.37Å; A82-A85 PolarHBondContact O-N 2.75Å; A85-A87 VanDerWaalsContact C-N 3.33Å; A85-E88 PolarHBondContact O-N 2.74Å; A85-G89 PolarHBondContact O-N 2.93Å |
| 86 | I | 90.1 | Very high | 87.3 | Confident | 128 Ų | 128 | 110.1 Ų | 110.1 | 66% | 0.656 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.2 | -40.1 | 174.3 | -67.4 | 163.5 | 0 | 0 | 0 | 110.9 | A82 V83 T84 | A82-I86 WeakPolarHBondContact O-CD1 3.47Å; A82-I86 VanDerWaalsContact O-CG1 3.26Å; A82-I86 WeakPolarHBondContact O-CG1 3.48Å; A82-I86 PolarHBondContact O-N 2.85Å; A82-I86 VanDerWaalsContact O-N 3.1Å; V83-I86 PolarHBondContact O-N 3.24Å; T84-I86 VanDerWaalsContact C-N 3.32Å; T84-I86 PolarHBondContact O-N 2.84Å |
| 87 | A | 88.1 | Confident | 87 | Confident | 63 Ų | 63 | 110.6 Ų | 110.6 | 52% | 0.521 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69.1 | -35.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V83 T84 A85 | V83-A87 PolarHBondContact O-N 3.34Å; V83-A87 VanDerWaalsContact O-N 3.11Å; T84-A87 WeakPolarHBondContact O-CB 3.2Å; T84-A87 PolarHBondContact O-N 3.14Å; T84-A87 VanDerWaalsContact O-N 3.07Å; A85-A87 VanDerWaalsContact C-N 3.33Å |
| 88 | E | 86.1 | Confident | 86.5 | Confident | 133 Ų | 133 | 115.1 Ų | 115.1 | 62% | 0.621 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -75.1 | -43.1 | 178.2 | -71 | -179.6 | 168.5 | 0 | 0 | 112.6 | T84 A85 R90 R91 | T84-E88 HydrophobicContact CG2-CG 4.45Å; T84-E88 WeakPolarHBondContact O-CG 3.5Å; T84-E88 PolarHBondContact O-N 3.35Å; A85-E88 PolarHBondContact O-N 2.74Å; E88-R90 PolarHBondContact O-N 2.77Å; E88-R90 VanDerWaalsContact O-N 3.12Å; E88-R91 PolarHBondContact O-N 3.37Å |
| 89 | G | 76.3 | Confident | 86 | Confident | 68 Ų | 68 | 119.8 Ų | 119.8 | 70% | 0.701 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -6.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | A85 | A85-G89 PolarHBondContact O-N 2.93Š|
| 90 | R | 71 | Confident | 85.4 | Confident | 233 Ų | 233 | 118.6 Ų | 118.6 | 88% | 0.879 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -2.4 | 176.3 | -167.6 | 171.1 | 177 | -170.1 | -0.4 | 113.5 | E88 | E88-R90 PolarHBondContact O-N 2.77Å; E88-R90 VanDerWaalsContact O-N 3.12Å |
| 91 | R | 60.3 | Low | 84.8 | Confident | 285 Ų | 285 | 118.7 Ų | 118.7 | 100% | 1.075 | 63% | 0.628 | S | S | * | * | trans | -95.9 | 0 | 175.1 | -62.1 | -173.4 | -173 | -175.9 | 3.8 | 111.4 | E88 | E88-R91 PolarHBondContact O-N 3.37Š|
Retrieved 91 of 91 residues in 44.9 ms
(Link to these results)