| 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 | 56.1 | Low | 75.9 | Confident | 199 Ų | 199 | 119 Ų | 119 | 98% | 0.98 | 60% | 0.602 | S | S | * | * | 0 | -57.2 | 0 | -63.9 | -107.2 | -121.1 | 0 | 0 | 112.2 | L3 I4 L5 | M1-L3 PolarHBondContact O-N 3.29Å; M1-I4 PolarHBondContact O-N 3.21Å; M1-L5 PolarHBondContact O-N 2.94Å | |||
| 2 | K | 71.2 | Confident | 75.7 | Confident | 177 Ų | 177 | 114.5 Ų | 114.5 | 77% | 0.77 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -57.8 | -41.1 | -179.1 | -63.3 | -177.2 | 179.9 | -179.7 | 0 | 114.5 | I4 L5 I6 | K2-I4 PolarHBondContact O-N 3.44Å; K2-L5 PolarHBondContact O-N 2.88Å; K2-I6 VanDerWaalsContact O-CG1 3.32Å; K2-I6 WeakPolarHBondContact O-CG1 3.21Å; K2-I6 PolarHBondContact O-N 3.19Å; K2-I6 VanDerWaalsContact O-N 3.07Å |
| 3 | L | 73.8 | Confident | 75.4 | Confident | 140 Ų | 140 | 114.3 Ų | 114.3 | 73% | 0.733 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.8 | -35.2 | 179.2 | -70.4 | 171.3 | 0 | 0 | 0 | 113.5 | M1 I6 F7 | M1-L3 PolarHBondContact O-N 3.29Å; L3-I6 PolarHBondContact O-N 2.88Å; L3-F7 WeakPolarHBondContact O-CB 3.43Å; L3-F7 PolarHBondContact O-N 3.43Å |
| 4 | I | 79.5 | Confident | 75 | Confident | 127 Ų | 127 | 114 Ų | 114 | 65% | 0.651 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69 | -40.3 | 178.9 | -61.3 | 170.9 | 0 | 0 | 0 | 109.8 | M1 K2 F7 A8 | M1-I4 PolarHBondContact O-N 3.21Å; K2-I4 PolarHBondContact O-N 3.44Å; I4-F7 PolarHBondContact O-N 3.01Å; I4-A8 WeakPolarHBondContact O-CB 2.78Å; I4-A8 PolarHBondContact O-N 3.39Å |
| 5 | L | 77.1 | Confident | 74.5 | Confident | 118 Ų | 118 | 113.7 Ų | 113.7 | 62% | 0.618 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.4 | -40.6 | 175.1 | -71.5 | 171.3 | 0 | 0 | 0 | 112.2 | M1 K2 A8 L9 | M1-L5 PolarHBondContact O-N 2.94Å; K2-L5 PolarHBondContact O-N 2.88Å; L5-A8 PolarHBondContact O-N 3.41Å; L5-L9 WeakPolarHBondContact O-CB 3.46Å; L5-L9 WeakPolarHBondContact O-CG 3.33Å; L5-L9 PolarHBondContact O-N 3.24Å |
| 6 | I | 81.2 | Confident | 73.8 | Confident | 90 Ų | 90 | 114.1 Ų | 114.1 | 46% | 0.462 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.3 | -45.5 | 175.5 | -67.4 | 164.2 | 0 | 0 | 0 | 110.2 | K2 L3 L9 I10 | K2-I6 VanDerWaalsContact O-CG1 3.32Å; K2-I6 WeakPolarHBondContact O-CG1 3.21Å; K2-I6 PolarHBondContact O-N 3.19Å; K2-I6 VanDerWaalsContact O-N 3.07Å; L3-I6 PolarHBondContact O-N 2.88Å; I6-L9 PolarHBondContact O-N 2.81Å; I6-I10 HydrophobicContact CG2-CD1 3.83Å; I6-I10 VanDerWaalsContact O-CG1 3.26Å; I6-I10 WeakPolarHBondContact O-CG1 3.43Å; I6-I10 PolarHBondContact O-N 2.92Å |
| 7 | F | 78.5 | Confident | 73.1 | Confident | 138 Ų | 138 | 110.8 Ų | 110.8 | 61% | 0.605 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.4 | -41.5 | 178.4 | -165.1 | -106.8 | 0 | 0 | 0 | 112.1 | L3 I4 I10 I11 | L3-F7 WeakPolarHBondContact O-CB 3.43Å; L3-F7 PolarHBondContact O-N 3.43Å; I4-F7 PolarHBondContact O-N 3.01Å; F7-I10 PolarHBondContact O-N 3.35Å; F7-I11 HydrophobicContact CD1-CD1 3.5Å; F7-I11 HydrophobicContact CD1-CG1 4.42Å; F7-I11 HydrophobicContact CE1-CD1 3.3Å; F7-I11 HydrophobicContact CE1-CG1 4.29Å; F7-I11 HydrophobicContact CG-CD1 4.38Å; F7-I11 HydrophobicContact CZ-CD1 4.01Å; F7-I11 WeakPolarHBondContact O-CG1 3.35Å; F7-I11 PolarHBondContact O-N 2.79Å |
| 8 | A | 78.9 | Confident | 72.2 | Confident | 49 Ų | 49 | 108.7 Ų | 108.7 | 41% | 0.405 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.3 | -41.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I4 L5 I11 S12 | I4-A8 WeakPolarHBondContact O-CB 2.78Å; I4-A8 PolarHBondContact O-N 3.39Å; L5-A8 PolarHBondContact O-N 3.41Å; A8-I11 PolarHBondContact O-N 3.27Å; A8-S12 PolarHBondContact O-N 2.92Å; A8-S12 PolarHBondContact O-OG 3.28Å |
| 9 | L | 78.5 | Confident | 71.4 | Confident | 114 Ų | 114 | 107.4 Ų | 107.4 | 60% | 0.597 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.5 | -42.3 | 174.8 | -83.4 | 163.9 | 0 | 0 | 0 | 112.2 | L5 I6 I11 S12 L13 | L5-L9 WeakPolarHBondContact O-CB 3.46Å; L5-L9 WeakPolarHBondContact O-CG 3.33Å; L5-L9 PolarHBondContact O-N 3.24Å; I6-L9 PolarHBondContact O-N 2.81Å; L9-I11 VanDerWaalsContact C-N 3.35Å; L9-S12 PolarHBondContact O-N 3.36Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 PolarHBondContact O-N 3.5Å |
| 10 | I | 80.7 | Confident | 70.7 | Confident | 85 Ų | 85 | 111.1 Ų | 111.1 | 44% | 0.436 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.7 | -43.8 | 176.5 | -68.8 | 165.5 | 0 | 0 | 0 | 110.4 | I6 F7 L13 L14 | I6-I10 HydrophobicContact CG2-CD1 3.83Å; I6-I10 VanDerWaalsContact O-CG1 3.26Å; I6-I10 WeakPolarHBondContact O-CG1 3.43Å; I6-I10 PolarHBondContact O-N 2.92Å; F7-I10 PolarHBondContact O-N 3.35Å; I10-L13 PolarHBondContact O-N 3.38Å; I10-L14 HydrophobicContact CG2-CD1 3.96Å; I10-L14 VanDerWaalsContact O-CG 3.29Å; I10-L14 WeakPolarHBondContact O-CG 3.5Å; I10-L14 PolarHBondContact O-N 3.41Å |
| 11 | I | 78.9 | Confident | 69.9 | Low | 72 Ų | 72 | 107.8 Ų | 107.8 | 37% | 0.369 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.9 | -45.6 | 176.9 | -69.3 | 168.8 | 0 | 0 | 0 | 111.2 | F7 A8 L9 L13 L14 L15 | F7-I11 HydrophobicContact CD1-CD1 3.5Å; F7-I11 HydrophobicContact CD1-CG1 4.42Å; F7-I11 HydrophobicContact CE1-CD1 3.3Å; F7-I11 HydrophobicContact CE1-CG1 4.29Å; F7-I11 HydrophobicContact CG-CD1 4.38Å; F7-I11 HydrophobicContact CZ-CD1 4.01Å; F7-I11 WeakPolarHBondContact O-CG1 3.35Å; F7-I11 PolarHBondContact O-N 2.79Å; A8-I11 PolarHBondContact O-N 3.27Å; L9-I11 VanDerWaalsContact C-N 3.35Å; I11-L13 VanDerWaalsContact C-N 3.34Å; I11-L13 PolarHBondContact O-N 3.48Å; I11-L14 PolarHBondContact O-N 2.87Å; I11-L15 HydrophobicContact CG2-CD1 3.95Å; I11-L15 HydrophobicContact CG2-CG 4.43Å; I11-L15 WeakPolarHBondContact O-CG 3.26Å; I11-L15 PolarHBondContact O-N 2.85Å |
| 12 | S | 74.2 | Confident | 70.1 | Confident | 65 Ų | 65 | 106.1 Ų | 106.1 | 46% | 0.455 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.5 | -38.6 | 177 | -74.5 | 0 | 0 | 0 | 0 | 112.8 | A8 L9 L15 N16 | A8-S12 PolarHBondContact O-N 2.92Å; A8-S12 PolarHBondContact O-OG 3.28Å; L9-S12 PolarHBondContact O-N 3.36Å; S12-L15 PolarHBondContact O-N 2.85Å; S12-N16 PolarHBondContact O-N 3.21Å; S12-N16 PolarHBondContact O-ND2 3.42Å |
| 13 | L | 72 | Confident | 69.5 | Low | 112 Ų | 112 | 101 Ų | 101 | 59% | 0.586 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.9 | -45.8 | 173.4 | -96.3 | 153.4 | 0 | 0 | 0 | 111.6 | L9 I10 I11 L15 N16 V17 | L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 PolarHBondContact O-N 3.5Å; I10-L13 PolarHBondContact O-N 3.38Å; I11-L13 VanDerWaalsContact C-N 3.34Å; I11-L13 PolarHBondContact O-N 3.48Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 2.98Å; L13-N16 PolarHBondContact O-N 3.35Å; L13-V17 WeakPolarHBondContact O-CB 3.26Å; L13-V17 VanDerWaalsContact O-CG2 3.24Å; L13-V17 WeakPolarHBondContact O-CG2 3.29Å; L13-V17 PolarHBondContact O-N 3.39Å |
| 14 | L | 68.8 | Low | 69 | Low | 110 Ų | 110 | 96.2 Ų | 96.2 | 58% | 0.576 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61 | -41.1 | 177.3 | -73.6 | 166.7 | 0 | 0 | 0 | 111.9 | I10 I11 T18 | I10-L14 HydrophobicContact CG2-CD1 3.96Å; I10-L14 VanDerWaalsContact O-CG 3.29Å; I10-L14 WeakPolarHBondContact O-CG 3.5Å; I10-L14 PolarHBondContact O-N 3.41Å; I11-L14 PolarHBondContact O-N 2.87Å; L14-T18 PolarHBondContact O-N 2.85Å; L14-T18 VanDerWaalsContact O-N 3.16Å; L14-T18 PolarHBondContact O-OG1 3.45Å |
| 15 | L | 67.4 | Low | 68.3 | Low | 110 Ų | 110 | 93.9 Ų | 93.9 | 58% | 0.576 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.6 | -42.1 | 178.6 | -72.9 | 171 | 0 | 0 | 0 | 112.9 | I11 S12 L13 T18 | I11-L15 HydrophobicContact CG2-CD1 3.95Å; I11-L15 HydrophobicContact CG2-CG 4.43Å; I11-L15 WeakPolarHBondContact O-CG 3.26Å; I11-L15 PolarHBondContact O-N 2.85Å; S12-L15 PolarHBondContact O-N 2.85Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 2.98Å; L15-T18 WeakPolarHBondContact CA-OG1 3.32Å; L15-T18 PolarHBondContact O-N 3.16Å; L15-T18 PolarHBondContact O-OG1 3.02Å |
| 16 | N | 64.7 | Low | 67.9 | Low | 120 Ų | 120 | 95.9 Ų | 95.9 | 64% | 0.642 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.3 | -39.1 | 176.9 | -79.5 | -30.5 | 0 | 0 | 0 | 111.9 | S12 L13 T18 A19 | S12-N16 PolarHBondContact O-N 3.21Å; S12-N16 PolarHBondContact O-ND2 3.42Å; L13-N16 PolarHBondContact O-N 3.35Å; N16-T18 VanDerWaalsContact C-N 3.27Å; N16-T18 PolarHBondContact O-N 3.4Å; N16-A19 PolarHBondContact O-N 3.15Å |
| 17 | V | 61.8 | Low | 67.7 | Low | 58 Ų | 58 | 98 Ų | 98 | 35% | 0.352 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.2 | -31.6 | 176.9 | 169.9 | 0 | 0 | 0 | 0 | 111.9 | L13 A19 L28 | L13-V17 WeakPolarHBondContact O-CB 3.26Å; L13-V17 VanDerWaalsContact O-CG2 3.24Å; L13-V17 WeakPolarHBondContact O-CG2 3.29Å; L13-V17 PolarHBondContact O-N 3.39Å; V17-A19 VanDerWaalsContact C-N 3.27Å; V17-A19 PolarHBondContact O-N 3.35Å; V17-L28 HydrophobicContact CG1-CD1 3.43Å; V17-L28 VanDerWaalsContact CG1-CD1 3.43Å |
| 18 | T | 57 | Low | 67.4 | Low | 72 Ų | 72 | 95.4 Ų | 95.4 | 44% | 0.442 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.2 | -19.2 | 175.9 | 39.5 | 0 | 0 | 0 | 0 | 114.5 | L14 L15 N16 Q25 | L14-T18 PolarHBondContact O-N 2.85Å; L14-T18 VanDerWaalsContact O-N 3.16Å; L14-T18 PolarHBondContact O-OG1 3.45Å; L15-T18 WeakPolarHBondContact CA-OG1 3.32Å; L15-T18 PolarHBondContact O-N 3.16Å; L15-T18 PolarHBondContact O-OG1 3.02Å; N16-T18 VanDerWaalsContact C-N 3.27Å; N16-T18 PolarHBondContact O-N 3.4Å; T18-Q25 HydrophobicContact CG2-CG 4.4Å; T18-Q25 PolarHBondContact O-NE2 2.9Å |
| 19 | A | 56.6 | Low | 67.2 | Low | 85 Ų | 85 | 100 Ų | 100 | 70% | 0.702 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -81.4 | -25.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | N16 V17 | N16-A19 PolarHBondContact O-N 3.15Å; V17-A19 VanDerWaalsContact C-N 3.27Å; V17-A19 PolarHBondContact O-N 3.35Å |
| 20 | E | 56.2 | Low | 67.3 | Low | 181 Ų | 181 | 98 Ų | 98 | 85% | 0.846 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -111.5 | -10.1 | -165.4 | -76 | -172.3 | 163.8 | 0 | 0 | 116.8 | ||
| 21 | S | 55.4 | Low | 67.3 | Low | 41 Ų | 41 | 98.5 Ų | 98.5 | 29% | 0.287 | 53% | 0.529 | S | S | . | . | trans | -158.5 | 111.9 | 173.3 | 61.3 | 0 | 0 | 0 | 0 | 115.5 | A23 S24 Q25 | S21-A23 PolarHBondContact O-N 3.43Å; S21-S24 PolarHBondContact O-N 3.18Å; S21-S24 WeakPolarHBondContact OG-CB 3.32Å; S21-S24 PolarHBondContact OG-N 3.36Å; S21-Q25 WeakPolarHBondContact O-CG 3.39Å; S21-Q25 PolarHBondContact O-N 3.45Å | ||
| 22 | Q | 58.8 | Low | 67.3 | Low | 164 Ų | 164 | 97.8 Ų | 97.8 | 77% | 0.766 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.2 | -27.6 | 164.6 | -71.5 | -173.4 | -13.1 | 0 | 0 | 112 | K26 | Q22-K26 PolarHBondContact O-N 2.93Å |
| 23 | A | 59.4 | Low | 67.7 | Low | 70 Ų | 70 | 97.2 Ų | 97.2 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.5 | -48.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | S21 Q25 K26 E27 | S21-A23 PolarHBondContact O-N 3.43Å; A23-Q25 VanDerWaalsContact C-N 3.32Å; A23-Q25 PolarHBondContact O-N 3.46Å; A23-K26 PolarHBondContact O-N 2.85Å; A23-E27 PolarHBondContact O-N 3.46Å |
| 24 | S | 63.7 | Low | 68.3 | Low | 40 Ų | 40 | 97 Ų | 97 | 28% | 0.28 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.8 | -31 | 177.6 | -162.9 | 0 | 0 | 0 | 0 | 111.8 | S21 K26 E27 L28 | S21-S24 PolarHBondContact O-N 3.18Å; S21-S24 WeakPolarHBondContact OG-CB 3.32Å; S21-S24 PolarHBondContact OG-N 3.36Å; S24-K26 VanDerWaalsContact C-N 3.3Å; S24-K26 PolarHBondContact O-N 3Å; S24-E27 PolarHBondContact O-N 3.37Å; S24-L28 VanDerWaalsContact O-CB 3.28Å; S24-L28 WeakPolarHBondContact O-CB 3.33Å; S24-L28 VanDerWaalsContact O-CG 3.22Å; S24-L28 WeakPolarHBondContact O-CG 3.26Å; S24-L28 PolarHBondContact O-N 2.78Å |
| 25 | Q | 63.9 | Low | 69 | Low | 77 Ų | 77 | 97 Ų | 97 | 36% | 0.36 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.8 | -40.7 | 172.4 | -75 | -171.7 | 11.3 | 0 | 0 | 112.4 | T18 S21 A23 F29 | T18-Q25 HydrophobicContact CG2-CG 4.4Å; T18-Q25 PolarHBondContact O-NE2 2.9Å; S21-Q25 WeakPolarHBondContact O-CG 3.39Å; S21-Q25 PolarHBondContact O-N 3.45Å; A23-Q25 VanDerWaalsContact C-N 3.32Å; A23-Q25 PolarHBondContact O-N 3.46Å; Q25-F29 VanDerWaalsContact O-CB 3.24Å; Q25-F29 WeakPolarHBondContact O-CB 3.46Å; Q25-F29 PolarHBondContact O-N 2.85Å |
| 26 | K | 70.2 | Confident | 69.8 | Low | 160 Ų | 160 | 100.1 Ų | 100.1 | 70% | 0.696 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.5 | -41 | 176.7 | -74.2 | -177.4 | -180 | -179.4 | 0 | 112.1 | Q22 A23 S24 F29 T30 | Q22-K26 PolarHBondContact O-N 2.93Å; A23-K26 PolarHBondContact O-N 2.85Å; S24-K26 VanDerWaalsContact C-N 3.3Å; S24-K26 PolarHBondContact O-N 3Å; K26-F29 PolarHBondContact O-N 3.44Å; K26-T30 WeakPolarHBondContact O-CB 3.33Å; K26-T30 PolarHBondContact O-N 3.32Å; K26-T30 PolarHBondContact O-OG1 2.8Å |
| 27 | E | 76 | Confident | 71 | Confident | 134 Ų | 134 | 100.6 Ų | 100.6 | 63% | 0.626 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.7 | -47.2 | 176.4 | -72.6 | -177.8 | 169.8 | 0 | 0 | 111.5 | A23 S24 F29 T30 E31 | A23-E27 PolarHBondContact O-N 3.46Å; S24-E27 PolarHBondContact O-N 3.37Å; E27-F29 VanDerWaalsContact C-N 3.32Å; E27-F29 PolarHBondContact O-N 2.89Å; E27-T30 WeakPolarHBondContact O-CB 3.31Å; E27-T30 PolarHBondContact O-N 3.23Å; E27-T30 VanDerWaalsContact O-N 3.07Å; E27-E31 WeakPolarHBondContact O-CG 3.43Å; E27-E31 PolarHBondContact O-N 3.02Å |
| 28 | L | 72.3 | Confident | 72.2 | Confident | 85 Ų | 85 | 101.2 Ų | 101.2 | 45% | 0.445 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.6 | -39.5 | 174.8 | -72.6 | 173.1 | 0 | 0 | 0 | 112.5 | V17 S24 T30 S32 | V17-L28 HydrophobicContact CG1-CD1 3.43Å; V17-L28 VanDerWaalsContact CG1-CD1 3.43Å; S24-L28 VanDerWaalsContact O-CB 3.28Å; S24-L28 WeakPolarHBondContact O-CB 3.33Å; S24-L28 VanDerWaalsContact O-CG 3.22Å; S24-L28 WeakPolarHBondContact O-CG 3.26Å; S24-L28 PolarHBondContact O-N 2.78Å; L28-T30 VanDerWaalsContact C-N 3.33Å; L28-S32 VanDerWaalsContact O-CB 3.25Å; L28-S32 WeakPolarHBondContact O-CB 3.45Å; L28-S32 PolarHBondContact O-N 3.22Å; L28-S32 PolarHBondContact O-OG 3.42Å |
| 29 | F | 75.9 | Confident | 73.7 | Confident | 145 Ų | 145 | 102.3 Ų | 102.3 | 64% | 0.636 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.2 | -41.7 | 173.4 | -168.2 | -97.8 | 0 | 0 | 0 | 111.1 | Q25 K26 E27 S32 V33 | Q25-F29 VanDerWaalsContact O-CB 3.24Å; Q25-F29 WeakPolarHBondContact O-CB 3.46Å; Q25-F29 PolarHBondContact O-N 2.85Å; K26-F29 PolarHBondContact O-N 3.44Å; E27-F29 VanDerWaalsContact C-N 3.32Å; E27-F29 PolarHBondContact O-N 2.89Å; F29-S32 VanDerWaalsContact CA-OG 3.3Å; F29-S32 WeakPolarHBondContact CA-OG 3.47Å; F29-S32 PolarHBondContact O-N 3Å; F29-S32 PolarHBondContact O-OG 3.33Å; F29-V33 HydrophobicContact CD1-CG2 4.03Å; F29-V33 HydrophobicContact CE1-CG2 3.73Å; F29-V33 HydrophobicContact CZ-CG2 4.08Å; F29-V33 WeakPolarHBondContact O-CB 3.33Å; F29-V33 WeakPolarHBondContact O-CG2 3.13Å; F29-V33 PolarHBondContact O-N 2.9Å |
| 30 | T | 80.5 | Confident | 75.2 | Confident | 72 Ų | 72 | 100.5 Ų | 100.5 | 44% | 0.442 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 178.4 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | K26 E27 L28 V33 K34 | K26-T30 WeakPolarHBondContact O-CB 3.33Å; K26-T30 PolarHBondContact O-N 3.32Å; K26-T30 PolarHBondContact O-OG1 2.8Å; E27-T30 WeakPolarHBondContact O-CB 3.31Å; E27-T30 PolarHBondContact O-N 3.23Å; E27-T30 VanDerWaalsContact O-N 3.07Å; L28-T30 VanDerWaalsContact C-N 3.33Å; T30-V33 PolarHBondContact O-N 2.82Å; T30-K34 WeakPolarHBondContact O-CG 3.42Å; T30-K34 PolarHBondContact O-N 3.04Å |
| 31 | E | 80.8 | Confident | 76.8 | Confident | 95 Ų | 95 | 97.4 Ų | 97.4 | 44% | 0.444 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68 | -41.2 | 177.1 | -70.8 | -55.2 | 129.8 | 0 | 0 | 112 | E27 V33 K34 L35 | E27-E31 WeakPolarHBondContact O-CG 3.43Å; E27-E31 PolarHBondContact O-N 3.02Å; E31-V33 VanDerWaalsContact C-N 3.34Å; E31-V33 PolarHBondContact O-N 2.89Å; E31-K34 PolarHBondContact O-N 3.09Å; E31-K34 IonicContact OE1-NZ 2.74Å; E31-K34 PolarHBondContact OE1-NZ 2.79Å; E31-L35 WeakPolarHBondContact O-CB 3.2Å; E31-L35 WeakPolarHBondContact O-CG 3.34Å; E31-L35 PolarHBondContact O-N 3.08Å |
| 32 | S | 77.1 | Confident | 78.4 | Confident | 57 Ų | 57 | 101.5 Ų | 101.5 | 40% | 0.399 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -37.7 | 174.1 | 58.5 | 0 | 0 | 0 | 0 | 112.5 | L28 F29 L35 W36 | L28-S32 VanDerWaalsContact O-CB 3.25Å; L28-S32 WeakPolarHBondContact O-CB 3.45Å; L28-S32 PolarHBondContact O-N 3.22Å; L28-S32 PolarHBondContact O-OG 3.42Å; F29-S32 VanDerWaalsContact CA-OG 3.3Å; F29-S32 WeakPolarHBondContact CA-OG 3.47Å; F29-S32 PolarHBondContact O-N 3Å; F29-S32 PolarHBondContact O-OG 3.33Å; S32-L35 PolarHBondContact O-N 3.18Å; S32-W36 WeakPolarHBondContact O-CB 3.47Å; S32-W36 PolarHBondContact O-N 3.26Å |
| 33 | V | 82.8 | Confident | 79.7 | Confident | 54 Ų | 54 | 101.6 Ų | 101.6 | 33% | 0.327 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65 | -41 | 173.5 | 169.6 | 0 | 0 | 0 | 0 | 111.4 | F29 T30 E31 W36 K37 | F29-V33 HydrophobicContact CD1-CG2 4.03Å; F29-V33 HydrophobicContact CE1-CG2 3.73Å; F29-V33 HydrophobicContact CZ-CG2 4.08Å; F29-V33 WeakPolarHBondContact O-CB 3.33Å; F29-V33 WeakPolarHBondContact O-CG2 3.13Å; F29-V33 PolarHBondContact O-N 2.9Å; T30-V33 PolarHBondContact O-N 2.82Å; E31-V33 VanDerWaalsContact C-N 3.34Å; E31-V33 PolarHBondContact O-N 2.89Å; V33-W36 PolarHBondContact O-N 2.87Å; V33-K37 WeakPolarHBondContact O-CG 3.39Å; V33-K37 PolarHBondContact O-N 3.07Å |
| 34 | K | 85.6 | Confident | 81.1 | Confident | 107 Ų | 107 | 104.7 Ų | 104.7 | 47% | 0.465 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 174.4 | -72.8 | 175.1 | -172.6 | 167.3 | 0 | 111.9 | T30 E31 K37 S38 | T30-K34 WeakPolarHBondContact O-CG 3.42Å; T30-K34 PolarHBondContact O-N 3.04Å; E31-K34 PolarHBondContact O-N 3.09Å; E31-K34 IonicContact OE1-NZ 2.74Å; E31-K34 PolarHBondContact OE1-NZ 2.79Å; K34-K37 PolarHBondContact O-N 2.72Å; K34-S38 WeakPolarHBondContact O-CB 3.21Å; K34-S38 PolarHBondContact O-N 3.44Å; K34-S38 PolarHBondContact O-OG 3.4Å |
| 35 | L | 83 | Confident | 82.3 | Confident | 109 Ų | 109 | 111.3 Ų | 111.3 | 57% | 0.571 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.3 | -46.2 | 174.8 | -76.3 | 170.4 | 0 | 0 | 0 | 110.7 | E31 S32 K37 S38 I39 | E31-L35 WeakPolarHBondContact O-CB 3.2Å; E31-L35 WeakPolarHBondContact O-CG 3.34Å; E31-L35 PolarHBondContact O-N 3.08Å; S32-L35 PolarHBondContact O-N 3.18Å; L35-K37 PolarHBondContact O-N 3.22Å; L35-S38 PolarHBondContact O-N 2.87Å; L35-I39 WeakPolarHBondContact O-CB 3.15Å; L35-I39 VanDerWaalsContact O-CG1 3.27Å; L35-I39 WeakPolarHBondContact O-CG1 3.27Å; L35-I39 PolarHBondContact O-N 3.2Å |
| 36 | W | 83.4 | Confident | 83.4 | Confident | 176 Ų | 176 | 113.1 Ų | 113.1 | 67% | 0.667 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.7 | -42.2 | 178.2 | -172.6 | -106.4 | 0 | 0 | 0 | 112.5 | S32 V33 I39 T40 | S32-W36 WeakPolarHBondContact O-CB 3.47Å; S32-W36 PolarHBondContact O-N 3.26Å; V33-W36 PolarHBondContact O-N 2.87Å; W36-I39 PolarHBondContact O-N 2.98Å; W36-T40 WeakPolarHBondContact O-CB 3.26Å; W36-T40 PolarHBondContact O-N 3.19Å; W36-T40 PolarHBondContact O-OG1 2.92Å |
| 37 | K | 90.2 | Very high | 84.2 | Confident | 131 Ų | 131 | 109.6 Ų | 109.6 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.4 | -46.2 | 173.4 | -77.3 | -178.3 | 179.2 | -177.5 | 0 | 111.6 | V33 K34 L35 I39 T40 E41 | V33-K37 WeakPolarHBondContact O-CG 3.39Å; V33-K37 PolarHBondContact O-N 3.07Å; K34-K37 PolarHBondContact O-N 2.72Å; L35-K37 PolarHBondContact O-N 3.22Å; K37-I39 PolarHBondContact O-N 3.47Å; K37-T40 WeakPolarHBondContact O-CB 3.45Å; K37-T40 PolarHBondContact O-N 3.4Å; K37-E41 WeakPolarHBondContact O-CG 3.33Å; K37-E41 PolarHBondContact O-N 3.37Å |
| 38 | S | 88.3 | Confident | 84.8 | Confident | 70 Ų | 70 | 108.8 Ų | 108.8 | 49% | 0.49 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 178.9 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | K34 L35 T40 E41 L42 | K34-S38 WeakPolarHBondContact O-CB 3.21Å; K34-S38 PolarHBondContact O-N 3.44Å; K34-S38 PolarHBondContact O-OG 3.4Å; L35-S38 PolarHBondContact O-N 2.87Å; S38-T40 VanDerWaalsContact C-N 3.33Å; S38-T40 PolarHBondContact O-N 3.02Å; S38-E41 PolarHBondContact O-N 3.33Å; S38-L42 WeakPolarHBondContact O-CB 3.43Å; S38-L42 PolarHBondContact O-N 3.43Å |
| 39 | I | 86.8 | Confident | 85.4 | Confident | 96 Ų | 96 | 109.3 Ų | 109.3 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 174.1 | -69.8 | 166.2 | 0 | 0 | 0 | 110.3 | L35 W36 K37 E41 L42 W43 | L35-I39 WeakPolarHBondContact O-CB 3.15Å; L35-I39 VanDerWaalsContact O-CG1 3.27Å; L35-I39 WeakPolarHBondContact O-CG1 3.27Å; L35-I39 PolarHBondContact O-N 3.2Å; W36-I39 PolarHBondContact O-N 2.98Å; K37-I39 PolarHBondContact O-N 3.47Å; I39-E41 PolarHBondContact O-N 3.08Å; I39-L42 PolarHBondContact O-N 2.96Å; I39-W43 VanDerWaalsContact O-CB 3.28Å; I39-W43 WeakPolarHBondContact O-CB 3.49Å; I39-W43 PolarHBondContact O-N 3.46Å |
| 40 | T | 88.1 | Confident | 85.7 | Confident | 47 Ų | 47 | 104.2 Ų | 104.2 | 29% | 0.288 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 179.8 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | W36 K37 S38 W43 K44 | W36-T40 WeakPolarHBondContact O-CB 3.26Å; W36-T40 PolarHBondContact O-N 3.19Å; W36-T40 PolarHBondContact O-OG1 2.92Å; K37-T40 WeakPolarHBondContact O-CB 3.45Å; K37-T40 PolarHBondContact O-N 3.4Å; S38-T40 VanDerWaalsContact C-N 3.33Å; S38-T40 PolarHBondContact O-N 3.02Å; T40-W43 PolarHBondContact O-N 2.82Å; T40-K44 WeakPolarHBondContact O-CG 3.49Å; T40-K44 PolarHBondContact O-N 3.27Å |
| 41 | E | 90.4 | Very high | 85.9 | Confident | 115 Ų | 115 | 107.4 Ų | 107.4 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 174.9 | -75.3 | 179.8 | -166.7 | 0 | 0 | 112 | K37 S38 I39 W43 K44 R45 | K37-E41 WeakPolarHBondContact O-CG 3.33Å; K37-E41 PolarHBondContact O-N 3.37Å; S38-E41 PolarHBondContact O-N 3.33Å; I39-E41 PolarHBondContact O-N 3.08Å; E41-W43 VanDerWaalsContact C-N 3.3Å; E41-W43 PolarHBondContact O-N 3.41Å; E41-K44 PolarHBondContact O-N 3.24Å; E41-R45 WeakPolarHBondContact O-CG 3.25Å; E41-R45 PolarHBondContact O-N 3.36Å |
| 42 | L | 88.3 | Confident | 86.1 | Confident | 128 Ų | 128 | 106.4 Ų | 106.4 | 67% | 0.67 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.6 | -40.2 | 176.5 | -157.6 | 122.4 | 0 | 0 | 0 | 110.9 | S38 I39 R45 F46 | S38-L42 WeakPolarHBondContact O-CB 3.43Å; S38-L42 PolarHBondContact O-N 3.43Å; I39-L42 PolarHBondContact O-N 2.96Å; L42-R45 PolarHBondContact O-N 2.99Å; L42-F46 WeakPolarHBondContact O-CB 3.45Å; L42-F46 PolarHBondContact O-N 2.91Å |
| 43 | W | 87.4 | Confident | 86.3 | Confident | 166 Ų | 166 | 110.3 Ų | 110.3 | 63% | 0.629 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63 | -44.5 | 174.5 | -169.3 | -100 | 0 | 0 | 0 | 112 | I39 T40 E41 R45 F46 E47 | I39-W43 VanDerWaalsContact O-CB 3.28Å; I39-W43 WeakPolarHBondContact O-CB 3.49Å; I39-W43 PolarHBondContact O-N 3.46Å; T40-W43 PolarHBondContact O-N 2.82Å; E41-W43 VanDerWaalsContact C-N 3.3Å; E41-W43 PolarHBondContact O-N 3.41Å; W43-R45 PolarHBondContact O-N 2.93Å; W43-F46 PolarHBondContact O-N 2.77Å; W43-E47 WeakPolarHBondContact O-CB 3.43Å; W43-E47 PolarHBondContact O-N 3.45Å |
| 44 | K | 89.3 | Confident | 86.1 | Confident | 135 Ų | 135 | 112.2 Ų | 112.2 | 59% | 0.587 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.9 | -42.6 | 175.3 | -76.8 | 176.8 | 178.9 | -178.8 | 0 | 112.2 | T40 E41 E47 H48 | T40-K44 WeakPolarHBondContact O-CG 3.49Å; T40-K44 PolarHBondContact O-N 3.27Å; E41-K44 PolarHBondContact O-N 3.24Å; K44-E47 PolarHBondContact O-N 2.88Å; K44-H48 WeakPolarHBondContact O-CB 3.45Å; K44-H48 PolarHBondContact O-N 3.46Å |
| 45 | R | 88 | Confident | 85.9 | Confident | 178 Ų | 178 | 114 Ų | 114 | 67% | 0.672 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.5 | -41.9 | 175.4 | -70.5 | -178.1 | -172.4 | -152.1 | 3.9 | 111.5 | E41 L42 W43 H48 N49 | E41-R45 WeakPolarHBondContact O-CG 3.25Å; E41-R45 PolarHBondContact O-N 3.36Å; L42-R45 PolarHBondContact O-N 2.99Å; W43-R45 PolarHBondContact O-N 2.93Å; R45-H48 PolarHBondContact O-N 3.46Å; R45-N49 WeakPolarHBondContact O-CB 3.48Å; R45-N49 PolarHBondContact O-N 3.3Å |
| 46 | F | 87 | Confident | 85.9 | Confident | 115 Ų | 115 | 114.7 Ų | 114.7 | 50% | 0.504 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -47.7 | 175.5 | -179.3 | -99 | 0 | 0 | 0 | 111.5 | L42 W43 H48 N49 C50 | L42-F46 WeakPolarHBondContact O-CB 3.45Å; L42-F46 PolarHBondContact O-N 2.91Å; W43-F46 PolarHBondContact O-N 2.77Å; F46-H48 VanDerWaalsContact C-N 3.31Å; F46-H48 PolarHBondContact O-N 3.38Å; F46-N49 PolarHBondContact O-N 2.92Å; F46-C50 VanDerWaalsContact CE1-SG 3.51Å; F46-C50 WeakPolarHBondContact CZ-SG 3.44Å; F46-C50 VanDerWaalsContact O-CB 3.3Å; F46-C50 WeakPolarHBondContact O-CB 3.38Å; F46-C50 PolarHBondContact O-N 3.33Å; F46-C50 PolarHBondContact O-SG 3.4Å; F46-C50 VanDerWaalsContact O-SG 3.38Å |
| 47 | E | 86.5 | Confident | 85.5 | Confident | 86 Ų | 86 | 113.3 Ų | 113.3 | 40% | 0.402 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.7 | -45.1 | 176.3 | -168 | -161.6 | 151.8 | 0 | 0 | 111 | W43 K44 C50 R51 | W43-E47 WeakPolarHBondContact O-CB 3.43Å; W43-E47 PolarHBondContact O-N 3.45Å; K44-E47 PolarHBondContact O-N 2.88Å; E47-C50 PolarHBondContact O-N 3.48Å; E47-R51 WeakPolarHBondContact O-CB 3.45Å; E47-R51 PolarHBondContact O-N 3.48Å; E47-R51 IonicContact OE1-CZ 3.8Å; E47-R51 IonicContact OE1-NE 3.97Å; E47-R51 IonicContact OE1-NH2 2.8Å; E47-R51 PolarHBondContact OE1-NH2 2.8Å |
| 48 | H | 88.8 | Confident | 84.9 | Confident | 118 Ų | 118 | 109.1 Ų | 109.1 | 55% | 0.546 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -50.1 | 176.9 | -175.1 | 76.9 | 0 | 0 | 0 | 111.8 | K44 R45 F46 C50 R51 V52 | K44-H48 WeakPolarHBondContact O-CB 3.45Å; K44-H48 PolarHBondContact O-N 3.46Å; R45-H48 PolarHBondContact O-N 3.46Å; F46-H48 VanDerWaalsContact C-N 3.31Å; F46-H48 PolarHBondContact O-N 3.38Å; H48-C50 PolarHBondContact O-N 3.37Å; H48-R51 PolarHBondContact O-N 3.03Å; H48-V52 WeakPolarHBondContact O-CG2 3.39Å; H48-V52 PolarHBondContact O-N 3.44Å |
| 49 | N | 85.1 | Confident | 84.6 | Confident | 95 Ų | 95 | 112 Ų | 112 | 51% | 0.508 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 179.2 | -74.6 | -17.2 | 0 | 0 | 0 | 112.3 | R45 F46 V52 K53 | R45-N49 WeakPolarHBondContact O-CB 3.48Å; R45-N49 PolarHBondContact O-N 3.3Å; F46-N49 PolarHBondContact O-N 2.92Å; N49-V52 PolarHBondContact O-N 2.87Å; N49-K53 WeakPolarHBondContact O-CB 3.39Å; N49-K53 WeakPolarHBondContact O-CG 3.49Å; N49-K53 PolarHBondContact O-N 2.75Å |
| 50 | C | 82.4 | Confident | 84.2 | Confident | 38 Ų | 38 | 113.1 Ų | 113.1 | 26% | 0.257 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -45 | 174.5 | -76.7 | 0 | 0 | 0 | 0 | 111 | F46 E47 H48 V52 K53 I54 | F46-C50 VanDerWaalsContact CE1-SG 3.51Å; F46-C50 WeakPolarHBondContact CZ-SG 3.44Å; F46-C50 VanDerWaalsContact O-CB 3.3Å; F46-C50 WeakPolarHBondContact O-CB 3.38Å; F46-C50 PolarHBondContact O-N 3.33Å; F46-C50 PolarHBondContact O-SG 3.4Å; F46-C50 VanDerWaalsContact O-SG 3.38Å; E47-C50 PolarHBondContact O-N 3.48Å; H48-C50 PolarHBondContact O-N 3.37Å; C50-V52 VanDerWaalsContact C-N 3.35Å; C50-V52 PolarHBondContact O-N 3.5Å; C50-K53 PolarHBondContact O-N 3.18Å; C50-I54 VanDerWaalsContact O-CB 3.27Å; C50-I54 WeakPolarHBondContact O-CB 3.4Å; C50-I54 WeakPolarHBondContact O-CD1 3.4Å; C50-I54 WeakPolarHBondContact O-CG1 3.37Å; C50-I54 PolarHBondContact O-N 3.49Å |
| 51 | R | 83.6 | Confident | 83.6 | Confident | 139 Ų | 139 | 115.6 Ų | 115.6 | 53% | 0.525 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 176.9 | -172.8 | -176.9 | -65.6 | -108.8 | 4 | 111.9 | E47 H48 R55 | E47-R51 WeakPolarHBondContact O-CB 3.45Å; E47-R51 PolarHBondContact O-N 3.48Å; E47-R51 IonicContact OE1-CZ 3.8Å; E47-R51 IonicContact OE1-NE 3.97Å; E47-R51 IonicContact OE1-NH2 2.8Å; E47-R51 PolarHBondContact OE1-NH2 2.8Å; H48-R51 PolarHBondContact O-N 3.03Å; R51-R55 VanDerWaalsContact O-CB 3.26Å; R51-R55 WeakPolarHBondContact O-CB 3.47Å; R51-R55 PolarHBondContact O-N 2.86Å |
| 52 | V | 85.9 | Confident | 82.7 | Confident | 74 Ų | 74 | 115.7 Ų | 115.7 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.7 | -46.8 | 176.5 | 172 | 0 | 0 | 0 | 0 | 111 | H48 N49 C50 R55 K56 | H48-V52 WeakPolarHBondContact O-CG2 3.39Å; H48-V52 PolarHBondContact O-N 3.44Å; N49-V52 PolarHBondContact O-N 2.87Å; C50-V52 VanDerWaalsContact C-N 3.35Å; C50-V52 PolarHBondContact O-N 3.5Å; V52-R55 PolarHBondContact O-N 2.94Å; V52-K56 WeakPolarHBondContact O-CB 3.36Å; V52-K56 PolarHBondContact O-N 3.37Å |
| 53 | K | 80.7 | Confident | 82 | Confident | 140 Ų | 140 | 112.8 Ų | 112.8 | 61% | 0.609 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.5 | -48.3 | 176.5 | -77.2 | -176.1 | 178.3 | -174.5 | 0 | 111.7 | N49 C50 R55 K56 Y57 | N49-K53 WeakPolarHBondContact O-CB 3.39Å; N49-K53 WeakPolarHBondContact O-CG 3.49Å; N49-K53 PolarHBondContact O-N 2.75Å; C50-K53 PolarHBondContact O-N 3.18Å; K53-R55 VanDerWaalsContact C-N 3.33Å; K53-R55 PolarHBondContact O-N 3.2Å; K53-K56 PolarHBondContact O-N 2.96Å; K53-Y57 HydrophobicContact CB-CD2 4.44Å; K53-Y57 HydrophobicContact CB-CE2 4.48Å; K53-Y57 WeakPolarHBondContact O-CD2 3.3Å; K53-Y57 PolarHBondContact O-N 2.87Å |
| 54 | I | 80 | Confident | 81.3 | Confident | 93 Ų | 93 | 106.4 Ų | 106.4 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 178.1 | -70 | 164.8 | 0 | 0 | 0 | 109.9 | C50 K56 Y57 L58 | C50-I54 VanDerWaalsContact O-CB 3.27Å; C50-I54 WeakPolarHBondContact O-CB 3.4Å; C50-I54 WeakPolarHBondContact O-CD1 3.4Å; C50-I54 WeakPolarHBondContact O-CG1 3.37Å; C50-I54 PolarHBondContact O-N 3.49Å; I54-K56 VanDerWaalsContact C-N 3.33Å; I54-K56 PolarHBondContact O-N 3.44Å; I54-Y57 PolarHBondContact O-N 3.39Å; I54-L58 HydrophobicContact CG2-CD1 3.7Å; I54-L58 HydrophobicContact CG2-CG 4.09Å; I54-L58 WeakPolarHBondContact O-CB 3.35Å; I54-L58 WeakPolarHBondContact O-CG 3.34Å; I54-L58 PolarHBondContact O-N 2.86Å |
| 55 | R | 81.1 | Confident | 80.6 | Confident | 146 Ų | 146 | 107.5 Ų | 107.5 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.2 | -47.2 | 176 | -176.8 | -178.1 | -66.1 | 172.3 | -4.1 | 111.2 | R51 V52 K53 L58 E59 | R51-R55 VanDerWaalsContact O-CB 3.26Å; R51-R55 WeakPolarHBondContact O-CB 3.47Å; R51-R55 PolarHBondContact O-N 2.86Å; V52-R55 PolarHBondContact O-N 2.94Å; K53-R55 VanDerWaalsContact C-N 3.33Å; K53-R55 PolarHBondContact O-N 3.2Å; R55-L58 PolarHBondContact O-N 3.23Å; R55-E59 WeakPolarHBondContact CD-OE1 3.28Å; R55-E59 HydrophobicContact CG-CG 4.4Å; R55-E59 WeakPolarHBondContact CG-OE1 3.34Å; R55-E59 WeakPolarHBondContact O-CB 3.43Å; R55-E59 WeakPolarHBondContact O-CG 3.49Å; R55-E59 PolarHBondContact O-N 3.44Å |
| 56 | K | 82.3 | Confident | 80.1 | Confident | 122 Ų | 122 | 105.7 Ų | 105.7 | 53% | 0.53 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 177.3 | -175.6 | 173.3 | 172.4 | 175.9 | 0 | 112.1 | V52 K53 I54 L58 E59 E60 | V52-K56 WeakPolarHBondContact O-CB 3.36Å; V52-K56 PolarHBondContact O-N 3.37Å; K53-K56 PolarHBondContact O-N 2.96Å; I54-K56 VanDerWaalsContact C-N 3.33Å; I54-K56 PolarHBondContact O-N 3.44Å; K56-L58 VanDerWaalsContact C-N 3.32Å; K56-L58 PolarHBondContact O-N 3.02Å; K56-E59 PolarHBondContact O-N 2.84Å; K56-E60 WeakPolarHBondContact CE-OE1 3.37Å; K56-E60 HydrophobicContact CG-CG 4.36Å; K56-E60 IonicContact NZ-OE1 3.74Å; K56-E60 WeakPolarHBondContact O-CB 3.49Å; K56-E60 WeakPolarHBondContact O-CG 3.39Å; K56-E60 PolarHBondContact O-N 2.85Å |
| 57 | Y | 75.3 | Confident | 79.7 | Confident | 147 Ų | 147 | 104.5 Ų | 104.5 | 58% | 0.576 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.5 | -40.1 | 174.1 | -82 | -66.4 | 0 | 0 | 0 | 112.4 | K53 I54 D61 | K53-Y57 HydrophobicContact CB-CD2 4.44Å; K53-Y57 HydrophobicContact CB-CE2 4.48Å; K53-Y57 WeakPolarHBondContact O-CD2 3.3Å; K53-Y57 PolarHBondContact O-N 2.87Å; I54-Y57 PolarHBondContact O-N 3.39Å; Y57-D61 PolarHBondContact O-N 2.74Å |
| 58 | L | 78 | Confident | 79.3 | Confident | 44 Ų | 44 | 103.2 Ų | 103.2 | 23% | 0.23 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -68.7 | -34.5 | 178.7 | -72.2 | 174.6 | 0 | 0 | 0 | 112.6 | I54 R55 K56 N62 L63 G64 L67 | I54-L58 HydrophobicContact CG2-CD1 3.7Å; I54-L58 HydrophobicContact CG2-CG 4.09Å; I54-L58 WeakPolarHBondContact O-CB 3.35Å; I54-L58 WeakPolarHBondContact O-CG 3.34Å; I54-L58 PolarHBondContact O-N 2.86Å; R55-L58 PolarHBondContact O-N 3.23Å; K56-L58 VanDerWaalsContact C-N 3.32Å; K56-L58 PolarHBondContact O-N 3.02Å; L58-N62 CarbonylContact O-C 3.51Å; L58-N62 WeakPolarHBondContact O-CA 3.27Å; L58-N62 PolarHBondContact O-N 3.42Å; L58-L63 HydrophobicContact CD2-CB 3.6Å; L58-L63 PolarHBondContact O-N 3.47Å; L58-G64 PolarHBondContact O-N 3.4Å; L58-L67 HydrophobicContact CD1-CD2 4.26Å; L58-L67 HydrophobicContact CD2-CB 4.47Å; L58-L67 HydrophobicContact CD2-CD2 4.08Å |
| 59 | E | 80.7 | Confident | 78.8 | Confident | 130 Ų | 130 | 100.1 Ų | 100.1 | 61% | 0.607 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -73.9 | -45.5 | 176.1 | -75.1 | 170.8 | -171.5 | 0 | 0 | 111.5 | R55 K56 D61 N62 | R55-E59 WeakPolarHBondContact CD-OE1 3.28Å; R55-E59 HydrophobicContact CG-CG 4.4Å; R55-E59 WeakPolarHBondContact CG-OE1 3.34Å; R55-E59 WeakPolarHBondContact O-CB 3.43Å; R55-E59 WeakPolarHBondContact O-CG 3.49Å; R55-E59 PolarHBondContact O-N 3.44Å; K56-E59 PolarHBondContact O-N 2.84Å; E59-D61 PolarHBondContact O-N 2.83Å; E59-N62 PolarHBondContact O-N 2.82Å |
| 60 | E | 80.2 | Confident | 78.7 | Confident | 119 Ų | 119 | 98.8 Ų | 98.8 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.9 | -41.6 | -178.7 | -76.8 | 176.5 | 171.7 | 0 | 0 | 112.5 | K56 | K56-E60 WeakPolarHBondContact CE-OE1 3.37Å; K56-E60 HydrophobicContact CG-CG 4.36Å; K56-E60 IonicContact NZ-OE1 3.74Å; K56-E60 WeakPolarHBondContact O-CB 3.49Å; K56-E60 WeakPolarHBondContact O-CG 3.39Å; K56-E60 PolarHBondContact O-N 2.85Å |
| 61 | D | 74.9 | Confident | 78.7 | Confident | 100 Ų | 100 | 100.9 Ų | 100.9 | 54% | 0.535 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 7.7 | -176.9 | -70.2 | -31 | 0 | 0 | 0 | 113.7 | Y57 E59 L63 | Y57-D61 PolarHBondContact O-N 2.74Å; E59-D61 PolarHBondContact O-N 2.83Å; D61-L63 HydrophobicContact CB-CB 4.34Å; D61-L63 HydrophobicContact CB-CD1 3.51Å; D61-L63 HydrophobicContact CB-CG 3.53Å; D61-L63 PolarHBondContact O-N 3.44Å |
| 62 | N | 71.8 | Confident | 78.7 | Confident | 117 Ų | 117 | 96.9 Ų | 96.9 | 63% | 0.626 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 29.6 | -168.2 | -76.8 | -45 | 0 | 0 | 0 | 112.8 | L58 E59 G64 | L58-N62 CarbonylContact O-C 3.51Å; L58-N62 WeakPolarHBondContact O-CA 3.27Å; L58-N62 PolarHBondContact O-N 3.42Å; E59-N62 PolarHBondContact O-N 2.82Å; N62-G64 PolarHBondContact O-N 2.94Å |
| 63 | L | 73.6 | Confident | 78.7 | Confident | 66 Ų | 66 | 97.5 Ų | 97.5 | 35% | 0.346 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74.4 | -17.2 | -179.1 | -77.2 | 167.1 | 0 | 0 | 0 | 111.7 | L58 D61 E65 K66 L67 | L58-L63 HydrophobicContact CD2-CB 3.6Å; L58-L63 PolarHBondContact O-N 3.47Å; D61-L63 HydrophobicContact CB-CB 4.34Å; D61-L63 HydrophobicContact CB-CD1 3.51Å; D61-L63 HydrophobicContact CB-CG 3.53Å; D61-L63 PolarHBondContact O-N 3.44Å; L63-E65 VanDerWaalsContact C-N 3.32Å; L63-E65 PolarHBondContact O-N 2.92Å; L63-K66 HydrophobicContact CD2-CD 4.17Å; L63-K66 PolarHBondContact O-N 2.73Å; L63-L67 VanDerWaalsContact O-CB 3.26Å; L63-L67 WeakPolarHBondContact O-CB 3.48Å; L63-L67 PolarHBondContact O-N 3.07Å |
| 64 | G | 72.9 | Confident | 78.8 | Confident | 33 Ų | 33 | 97.8 Ų | 97.8 | 34% | 0.34 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -53.2 | -48.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L58 N62 L67 A68 | L58-G64 PolarHBondContact O-N 3.4Å; N62-G64 PolarHBondContact O-N 2.94Å; G64-L67 PolarHBondContact O-N 2.89Å; G64-A68 VanDerWaalsContact O-CB 3.29Å; G64-A68 WeakPolarHBondContact O-CB 3.47Å; G64-A68 PolarHBondContact O-N 3.25Å |
| 65 | E | 74.6 | Confident | 79.1 | Confident | 157 Ų | 157 | 96.6 Ų | 96.6 | 73% | 0.734 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.9 | -43 | 179 | -64.9 | -173.2 | 169.4 | 0 | 0 | 112.2 | L63 L67 A68 A69 | L63-E65 VanDerWaalsContact C-N 3.32Å; L63-E65 PolarHBondContact O-N 2.92Å; E65-L67 PolarHBondContact O-N 3.4Å; E65-A68 PolarHBondContact O-N 3.24Å; E65-A69 WeakPolarHBondContact O-CB 3.47Å; E65-A69 PolarHBondContact O-N 2.88Å |
| 66 | K | 77 | Confident | 79.5 | Confident | 140 Ų | 140 | 96.6 Ų | 96.6 | 61% | 0.609 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.2 | -44.1 | 177.2 | -71.4 | 177.8 | 179.5 | 170 | 0 | 111.3 | L63 A69 V70 | L63-K66 HydrophobicContact CD2-CD 4.17Å; L63-K66 PolarHBondContact O-N 2.73Å; K66-A69 PolarHBondContact O-N 2.81Å; K66-V70 WeakPolarHBondContact O-CG2 3.2Å; K66-V70 PolarHBondContact O-N 2.98Å |
| 67 | L | 78.4 | Confident | 79.8 | Confident | 90 Ų | 90 | 98.3 Ų | 98.3 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 178.3 | -168.6 | 72.6 | 0 | 0 | 0 | 110.8 | L58 L63 G64 E65 A69 V70 V71 | L58-L67 HydrophobicContact CD1-CD2 4.26Å; L58-L67 HydrophobicContact CD2-CB 4.47Å; L58-L67 HydrophobicContact CD2-CD2 4.08Å; L63-L67 VanDerWaalsContact O-CB 3.26Å; L63-L67 WeakPolarHBondContact O-CB 3.48Å; L63-L67 PolarHBondContact O-N 3.07Å; G64-L67 PolarHBondContact O-N 2.89Å; E65-L67 PolarHBondContact O-N 3.4Å; L67-A69 VanDerWaalsContact C-N 3.31Å; L67-A69 PolarHBondContact O-N 3.48Å; L67-V70 PolarHBondContact O-N 2.83Å; L67-V71 VanDerWaalsContact O-CG2 3.32Å; L67-V71 WeakPolarHBondContact O-CG2 3.42Å; L67-V71 PolarHBondContact O-N 3.25Å |
| 68 | A | 77.9 | Confident | 80.4 | Confident | 59 Ų | 59 | 96.2 Ų | 96.2 | 49% | 0.488 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.4 | -40.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G64 E65 V71 S72 | G64-A68 VanDerWaalsContact O-CB 3.29Å; G64-A68 WeakPolarHBondContact O-CB 3.47Å; G64-A68 PolarHBondContact O-N 3.25Å; E65-A68 PolarHBondContact O-N 3.24Å; A68-V71 PolarHBondContact O-N 3.45Å; A68-S72 VanDerWaalsContact O-CB 3.26Å; A68-S72 WeakPolarHBondContact O-CB 3.37Å; A68-S72 PolarHBondContact O-N 3.29Å |
| 69 | A | 79.5 | Confident | 80.9 | Confident | 53 Ų | 53 | 98 Ų | 98 | 44% | 0.438 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E65 K66 L67 S72 I73 | E65-A69 WeakPolarHBondContact O-CB 3.47Å; E65-A69 PolarHBondContact O-N 2.88Å; K66-A69 PolarHBondContact O-N 2.81Å; L67-A69 VanDerWaalsContact C-N 3.31Å; L67-A69 PolarHBondContact O-N 3.48Å; A69-S72 WeakPolarHBondContact O-CB 3.44Å; A69-S72 PolarHBondContact O-N 3.24Å; A69-I73 WeakPolarHBondContact O-CG1 3.38Å; A69-I73 PolarHBondContact O-N 2.98Å |
| 70 | V | 81.9 | Confident | 81.3 | Confident | 68 Ų | 68 | 98.6 Ų | 98.6 | 41% | 0.412 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -49.2 | 175.9 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | K66 L67 S72 I73 Y74 | K66-V70 WeakPolarHBondContact O-CG2 3.2Å; K66-V70 PolarHBondContact O-N 2.98Å; L67-V70 PolarHBondContact O-N 2.83Å; V70-S72 VanDerWaalsContact C-N 3.31Å; V70-S72 PolarHBondContact O-N 2.97Å; V70-I73 WeakPolarHBondContact O-CB 3.24Å; V70-I73 PolarHBondContact O-N 3.33Å; V70-I73 VanDerWaalsContact O-N 3.15Å; V70-Y74 HydrophobicContact CG1-CD2 3.7Å; V70-Y74 HydrophobicContact CG1-CE2 3.56Å; V70-Y74 VanDerWaalsContact O-CD2 3.26Å; V70-Y74 WeakPolarHBondContact O-CD2 3.22Å; V70-Y74 PolarHBondContact O-N 3.37Å |
| 71 | V | 83.1 | Confident | 81.7 | Confident | 81 Ų | 81 | 101 Ų | 101 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 177.3 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | L67 A68 I73 Y74 V75 | L67-V71 VanDerWaalsContact O-CG2 3.32Å; L67-V71 WeakPolarHBondContact O-CG2 3.42Å; L67-V71 PolarHBondContact O-N 3.25Å; A68-V71 PolarHBondContact O-N 3.45Å; V71-I73 VanDerWaalsContact C-N 3.33Å; V71-I73 PolarHBondContact O-N 3.36Å; V71-Y74 PolarHBondContact O-N 3.4Å; V71-Y74 VanDerWaalsContact O-N 3.16Å; V71-V75 HydrophobicContact CG1-CG2 4.18Å; V71-V75 WeakPolarHBondContact O-CG2 3.45Å; V71-V75 PolarHBondContact O-N 2.95Å |
| 72 | S | 83.5 | Confident | 82.4 | Confident | 56 Ų | 56 | 101 Ų | 101 | 39% | 0.392 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.4 | -42.7 | 175.8 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | A68 A69 V70 V75 K76 | A68-S72 VanDerWaalsContact O-CB 3.26Å; A68-S72 WeakPolarHBondContact O-CB 3.37Å; A68-S72 PolarHBondContact O-N 3.29Å; A69-S72 WeakPolarHBondContact O-CB 3.44Å; A69-S72 PolarHBondContact O-N 3.24Å; V70-S72 VanDerWaalsContact C-N 3.31Å; V70-S72 PolarHBondContact O-N 2.97Å; S72-V75 PolarHBondContact O-N 3.41Å; S72-K76 WeakPolarHBondContact O-CB 3.28Å; S72-K76 VanDerWaalsContact O-CG 3.31Å; S72-K76 WeakPolarHBondContact O-CG 3.42Å; S72-K76 PolarHBondContact O-N 3.16Å |
| 73 | I | 85 | Confident | 83.2 | Confident | 86 Ų | 86 | 100.3 Ų | 100.3 | 44% | 0.441 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 175.1 | -67 | 164.1 | 0 | 0 | 0 | 110.9 | A69 V70 V71 K76 R77 | A69-I73 WeakPolarHBondContact O-CG1 3.38Å; A69-I73 PolarHBondContact O-N 2.98Å; V70-I73 WeakPolarHBondContact O-CB 3.24Å; V70-I73 PolarHBondContact O-N 3.33Å; V70-I73 VanDerWaalsContact O-N 3.15Å; V71-I73 VanDerWaalsContact C-N 3.33Å; V71-I73 PolarHBondContact O-N 3.36Å; I73-K76 PolarHBondContact O-N 3.37Å; I73-R77 WeakPolarHBondContact O-CG 3.3Å; I73-R77 PolarHBondContact O-N 3.34Å |
| 74 | Y | 83.7 | Confident | 83.8 | Confident | 146 Ų | 146 | 101.2 Ų | 101.2 | 57% | 0.573 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.6 | -44 | 178.3 | -83.4 | -75.4 | 0 | 0 | 0 | 112.3 | V70 V71 R77 L78 | V70-Y74 HydrophobicContact CG1-CD2 3.7Å; V70-Y74 HydrophobicContact CG1-CE2 3.56Å; V70-Y74 VanDerWaalsContact O-CD2 3.26Å; V70-Y74 WeakPolarHBondContact O-CD2 3.22Å; V70-Y74 PolarHBondContact O-N 3.37Å; V71-Y74 PolarHBondContact O-N 3.4Å; V71-Y74 VanDerWaalsContact O-N 3.16Å; Y74-R77 PolarHBondContact O-N 3.19Å; Y74-L78 WeakPolarHBondContact O-CG 3.25Å; Y74-L78 PolarHBondContact O-N 2.81Å |
| 75 | V | 86.6 | Confident | 84.4 | Confident | 68 Ų | 68 | 108.3 Ų | 108.3 | 41% | 0.412 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 176.5 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | V71 S72 R77 L78 N79 | V71-V75 HydrophobicContact CG1-CG2 4.18Å; V71-V75 WeakPolarHBondContact O-CG2 3.45Å; V71-V75 PolarHBondContact O-N 2.95Å; S72-V75 PolarHBondContact O-N 3.41Å; V75-R77 VanDerWaalsContact C-N 3.3Å; V75-R77 PolarHBondContact O-N 3.36Å; V75-L78 PolarHBondContact O-N 3.18Å; V75-N79 PolarHBondContact O-N 2.69Å |
| 76 | K | 88.3 | Confident | 84.8 | Confident | 146 Ų | 146 | 105.3 Ų | 105.3 | 64% | 0.635 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.5 | -41.7 | 174.9 | -75.6 | 178.6 | -177.9 | -176.1 | 0 | 112.2 | S72 I73 K80 | S72-K76 WeakPolarHBondContact O-CB 3.28Å; S72-K76 VanDerWaalsContact O-CG 3.31Å; S72-K76 WeakPolarHBondContact O-CG 3.42Å; S72-K76 PolarHBondContact O-N 3.16Å; I73-K76 PolarHBondContact O-N 3.37Å; K76-K80 WeakPolarHBondContact O-CB 3.26Å; K76-K80 PolarHBondContact O-N 3.31Å |
| 77 | R | 88.5 | Confident | 85 | Confident | 158 Ų | 158 | 102 Ų | 102 | 60% | 0.596 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.8 | -39.8 | 176.6 | -73.9 | 177.8 | 180 | -170.3 | 1.4 | 112.3 | I73 Y74 V75 R81 | I73-R77 WeakPolarHBondContact O-CG 3.3Å; I73-R77 PolarHBondContact O-N 3.34Å; Y74-R77 PolarHBondContact O-N 3.19Å; V75-R77 VanDerWaalsContact C-N 3.3Å; V75-R77 PolarHBondContact O-N 3.36Å; R77-R81 WeakPolarHBondContact O-CG 2.81Å; R77-R81 PolarHBondContact O-N 2.99Å; R77-R81 VanDerWaalsContact O-N 3.09Å |
| 78 | L | 89 | Confident | 84.9 | Confident | 103 Ų | 103 | 103.5 Ų | 103.5 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.4 | -46.1 | 177 | -76.9 | 168.7 | 0 | 0 | 0 | 111.6 | Y74 V75 K80 R81 L82 | Y74-L78 WeakPolarHBondContact O-CG 3.25Å; Y74-L78 PolarHBondContact O-N 2.81Å; V75-L78 PolarHBondContact O-N 3.18Å; L78-K80 VanDerWaalsContact C-N 3.32Å; L78-K80 PolarHBondContact O-N 3.36Å; L78-R81 WeakPolarHBondContact O-CA 3.47Å; L78-R81 WeakPolarHBondContact O-CB 3.29Å; L78-R81 PolarHBondContact O-N 3.34Å; L78-L82 PolarHBondContact O-N 3.07Å |
| 79 | N | 87.6 | Confident | 84.5 | Confident | 83 Ų | 83 | 106.2 Ų | 106.2 | 44% | 0.444 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.1 | -45.9 | 175 | -73.1 | -8.9 | 0 | 0 | 0 | 110.8 | V75 R81 L82 D83 | V75-N79 PolarHBondContact O-N 2.69Å; N79-R81 VanDerWaalsContact C-N 3.27Å; N79-R81 PolarHBondContact O-N 3.33Å; N79-L82 WeakPolarHBondContact O-CB 3.37Å; N79-L82 PolarHBondContact O-N 3.3Å; N79-L82 VanDerWaalsContact O-N 3.08Å; N79-D83 WeakPolarHBondContact O-CB 3.41Å; N79-D83 VanDerWaalsContact O-CG 3.25Å; N79-D83 PolarHBondContact O-N 3.05Å |
| 80 | K | 90 | Very high | 83.9 | Confident | 142 Ų | 142 | 113.9 Ų | 113.9 | 62% | 0.617 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -57.1 | -39.9 | 174.5 | -174.4 | 175.9 | -179.5 | 177.9 | 0 | 112.6 | K76 L78 M84 | K76-K80 WeakPolarHBondContact O-CB 3.26Å; K76-K80 PolarHBondContact O-N 3.31Å; L78-K80 VanDerWaalsContact C-N 3.32Å; L78-K80 PolarHBondContact O-N 3.36Å; K80-M84 VanDerWaalsContact O-CG 3.25Å; K80-M84 WeakPolarHBondContact O-CG 3.34Å; K80-M84 PolarHBondContact O-N 3.45Å; K80-M84 VanDerWaalsContact O-N 3.07Å |
| 81 | R | 88.8 | Confident | 83.1 | Confident | 170 Ų | 170 | 115 Ų | 115 | 64% | 0.642 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.3 | -38.1 | 176.2 | -74.3 | -179.9 | 177.6 | -151 | -1.5 | 112.6 | R77 L78 N79 M84 R85 | R77-R81 WeakPolarHBondContact O-CG 2.81Å; R77-R81 PolarHBondContact O-N 2.99Å; R77-R81 VanDerWaalsContact O-N 3.09Å; L78-R81 WeakPolarHBondContact O-CA 3.47Å; L78-R81 WeakPolarHBondContact O-CB 3.29Å; L78-R81 PolarHBondContact O-N 3.34Å; N79-R81 VanDerWaalsContact C-N 3.27Å; N79-R81 PolarHBondContact O-N 3.33Å; R81-M84 HydrophobicContact CB-CE 4.46Å; R81-M84 HydrophobicContact CG-CE 4.08Å; R81-R85 WeakPolarHBondContact O-CG 3.42Å; R81-R85 PolarHBondContact O-N 3.22Å |
| 82 | L | 89.1 | Confident | 81.8 | Confident | 99 Ų | 99 | 121.9 Ų | 121.9 | 52% | 0.518 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.5 | -46.7 | 175.4 | -75.6 | 166.1 | 0 | 0 | 0 | 111.1 | L78 N79 M84 R85 L86 | L78-L82 PolarHBondContact O-N 3.07Å; N79-L82 WeakPolarHBondContact O-CB 3.37Å; N79-L82 PolarHBondContact O-N 3.3Å; N79-L82 VanDerWaalsContact O-N 3.08Å; L82-M84 VanDerWaalsContact C-N 3.32Å; L82-M84 PolarHBondContact O-N 3.44Å; L82-R85 PolarHBondContact O-N 3.45Å; L82-L86 WeakPolarHBondContact O-CB 3.4Å; L82-L86 WeakPolarHBondContact O-CG 3.33Å; L82-L86 PolarHBondContact O-N 3.4Å |
| 83 | D | 89.1 | Confident | 81.7 | Confident | 102 Ų | 102 | 125.2 Ų | 125.2 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -59.7 | -42.6 | 177.9 | -67.7 | -25.8 | 0 | 0 | 0 | 111.3 | N79 L86 S87 | N79-D83 WeakPolarHBondContact O-CB 3.41Å; N79-D83 VanDerWaalsContact O-CG 3.25Å; N79-D83 PolarHBondContact O-N 3.05Å; D83-L86 PolarHBondContact O-N 2.89Å; D83-S87 WeakPolarHBondContact O-CB 3.32Å; D83-S87 PolarHBondContact O-N 3.42Å; D83-S87 PolarHBondContact O-OG 3.44Å |
| 84 | M | 86.5 | Confident | 81.5 | Confident | 86 Ų | 86 | 127.3 Ų | 127.3 | 42% | 0.424 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -59.8 | -48.9 | 175 | -73.9 | -176.4 | -51.1 | 0 | 0 | 111.6 | K80 R81 L82 L86 S87 E88 | K80-M84 VanDerWaalsContact O-CG 3.25Å; K80-M84 WeakPolarHBondContact O-CG 3.34Å; K80-M84 PolarHBondContact O-N 3.45Å; K80-M84 VanDerWaalsContact O-N 3.07Å; R81-M84 HydrophobicContact CB-CE 4.46Å; R81-M84 HydrophobicContact CG-CE 4.08Å; L82-M84 VanDerWaalsContact C-N 3.32Å; L82-M84 PolarHBondContact O-N 3.44Å; M84-L86 PolarHBondContact O-N 2.92Å; M84-S87 WeakPolarHBondContact CA-OG 3.39Å; M84-S87 PolarHBondContact O-N 3.26Å; M84-S87 PolarHBondContact O-OG 2.86Å; M84-E88 WeakPolarHBondContact O-CG 3.24Å; M84-E88 PolarHBondContact O-N 2.92Å |
| 85 | R | 84.9 | Confident | 81.4 | Confident | 182 Ų | 182 | 126.2 Ų | 126.2 | 69% | 0.687 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.3 | -40.8 | 179 | -70.4 | -160.6 | -176.7 | -128 | 0.6 | 112.9 | R81 L82 S87 E88 D89 | R81-R85 WeakPolarHBondContact O-CG 3.42Å; R81-R85 PolarHBondContact O-N 3.22Å; L82-R85 PolarHBondContact O-N 3.45Å; R85-S87 VanDerWaalsContact C-N 3.26Å; R85-S87 PolarHBondContact O-N 3.46Å; R85-E88 PolarHBondContact O-N 3.43Å; R85-D89 PolarHBondContact O-N 3.04Å |
| 86 | L | 82.8 | Confident | 81.1 | Confident | 94 Ų | 94 | 129.6 Ų | 129.6 | 49% | 0.492 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.7 | -27.1 | 176.5 | -72.1 | 172.3 | 0 | 0 | 0 | 112.8 | L82 D83 M84 R90 | L82-L86 WeakPolarHBondContact O-CB 3.4Å; L82-L86 WeakPolarHBondContact O-CG 3.33Å; L82-L86 PolarHBondContact O-N 3.4Å; D83-L86 PolarHBondContact O-N 2.89Å; M84-L86 PolarHBondContact O-N 2.92Å; L86-R90 WeakPolarHBondContact O-CG 3.43Å |
| 87 | S | 81 | Confident | 80.6 | Confident | 69 Ų | 69 | 128.6 Ų | 128.6 | 48% | 0.483 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -78.4 | -34.8 | 174.3 | 67.5 | 0 | 0 | 0 | 0 | 112.8 | D83 M84 R85 R90 A91 | D83-S87 WeakPolarHBondContact O-CB 3.32Å; D83-S87 PolarHBondContact O-N 3.42Å; D83-S87 PolarHBondContact O-OG 3.44Å; M84-S87 WeakPolarHBondContact CA-OG 3.39Å; M84-S87 PolarHBondContact O-N 3.26Å; M84-S87 PolarHBondContact O-OG 2.86Å; R85-S87 VanDerWaalsContact C-N 3.26Å; R85-S87 PolarHBondContact O-N 3.46Å; S87-R90 PolarHBondContact O-N 3.19Å; S87-A91 PolarHBondContact O-N 3.4Å |
| 88 | E | 75.9 | Confident | 80.1 | Confident | 122 Ų | 122 | 126.7 Ų | 126.7 | 57% | 0.57 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.6 | -46.9 | 173.3 | -72.8 | 167.7 | 176.5 | 0 | 0 | 110.4 | M84 R85 R90 A91 | M84-E88 WeakPolarHBondContact O-CG 3.24Å; M84-E88 PolarHBondContact O-N 2.92Å; R85-E88 PolarHBondContact O-N 3.43Å; E88-R90 PolarHBondContact O-N 2.96Å; E88-R90 VanDerWaalsContact O-N 3.08Å; E88-A91 PolarHBondContact O-N 3.36Å |
| 89 | D | 69.3 | Low | 79.4 | Confident | 116 Ų | 116 | 128.4 Ų | 128.4 | 62% | 0.62 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -17.9 | 177 | -74.6 | -8 | 0 | 0 | 0 | 114 | R85 | R85-D89 PolarHBondContact O-N 3.04Š|
| 90 | R | 67.4 | Low | 78.8 | Confident | 215 Ų | 215 | 131.8 Ų | 131.8 | 81% | 0.811 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -12.5 | 177 | -74.4 | -177.4 | -167.8 | -171.6 | 4.4 | 113.7 | L86 S87 E88 | L86-R90 WeakPolarHBondContact O-CG 3.43Å; S87-R90 PolarHBondContact O-N 3.19Å; E88-R90 PolarHBondContact O-N 2.96Å; E88-R90 VanDerWaalsContact O-N 3.08Å |
| 91 | A | 65.9 | Low | 77.9 | Confident | 90 Ų | 90 | 131 Ų | 131 | 74% | 0.744 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -12.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S87 E88 | S87-A91 PolarHBondContact O-N 3.4Å; E88-A91 PolarHBondContact O-N 3.36Å |
| 92 | E | 54.1 | Low | 76.9 | Confident | 227 Ų | 227 | 127.5 Ų | 127.5 | 100% | 1.061 | 63% | 0.632 | S | S | * | * | trans | -89.8 | 0 | 167.3 | -64.9 | -173.7 | 172.2 | 0 | 0 | 111.7 |
Retrieved 92 of 92 residues in 218.3 ms
(Link to these results)