| 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 | 31.8 | Very low | 33.2 | Very low | 240 Ų | 240 | 146.3 Ų | 146.3 | 100% | 1.182 | 78% | 0.781 | S | S | * | * | 0 | 84.9 | 0 | -150.7 | 150.9 | 147.9 | 0 | 0 | 104.9 | |||||
| 2 | S | 29.8 | Very low | 33.3 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | 64.8 | 130.9 | 92.2 | 171.3 | 0 | 0 | 0 | 0 | 109 | |||||
| 3 | E | 35.6 | Very low | 33.9 | Very low | 145 Ų | 145 | 139.3 Ų | 139.3 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | cis | 171.9 | 143.5 | 5.2 | 173.9 | 174.9 | 151.9 | 0 | 0 | 103.1 | ||||
| 4 | N | 32.5 | Very low | 33.9 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | -164.6 | 77.8 | 150 | -115.4 | -0.9 | 0 | 0 | 0 | 110.7 | ||||
| 5 | S | 36.7 | Very low | 34.4 | Very low | 59 Ų | 59 | 141.7 Ų | 141.7 | 41% | 0.413 | 77% | 0.773 | S | S | . | * | 22.9 | 104.4 | 112.5 | -53.2 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 6 | N | 28.3 | Very low | 35.2 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | -111 | 80.1 | 140.4 | -79.3 | -34.7 | 0 | 0 | 0 | 107.1 | V8 | N6-V8 PolarHBondContact O-N 3.26Š| ||
| 7 | V | 32.3 | Very low | 36.7 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 66% | 0.661 | 75% | 0.754 | S | S | * | * | trans | -80.1 | 109.5 | 170 | 177 | 0 | 0 | 0 | 0 | 107 | V9 | V7-V9 HydrophobicContact CG1-CG2 3.63Å; V7-V9 PolarHBondContact O-N 3.4Å | ||
| 8 | V | 35.6 | Very low | 38.6 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | -83.7 | 101.3 | 161.8 | 177.9 | 0 | 0 | 0 | 0 | 106.6 | N6 Q10 | N6-V8 PolarHBondContact O-N 3.26Å; V8-Q10 PolarHBondContact O-N 3.46Å | ||
| 9 | V | 31.9 | Very low | 40 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 74% | 0.739 | 74% | 0.742 | S | S | * | * | trans | -75.7 | 102.9 | 169.5 | 179.6 | 0 | 0 | 0 | 0 | 107.8 | V7 | V7-V9 HydrophobicContact CG1-CG2 3.63Å; V7-V9 PolarHBondContact O-N 3.4Å | ||
| 10 | Q | 35.6 | Very low | 41.5 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | trans | -105.3 | 115.8 | 160.7 | -96.7 | -171.5 | -12.5 | 0 | 0 | 109.6 | V8 G12 | V8-Q10 PolarHBondContact O-N 3.46Å; Q10-G12 PolarHBondContact O-N 3.49Å | ||
| 11 | K | 34.6 | Very low | 42.9 | Very low | 217 Ų | 217 | 130.7 Ų | 130.7 | 94% | 0.943 | 71% | 0.714 | S | S | * | * | trans | -82.3 | 106.1 | 176.3 | -169.8 | 179.3 | -176.4 | -179 | 0 | 108 | ||||
| 12 | G | 34.7 | Very low | 44.7 | Very low | 62 Ų | 62 | 122.1 Ų | 122.1 | 64% | 0.639 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 143.4 | 100.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q10 S14 | Q10-G12 PolarHBondContact O-N 3.49Å; G12-S14 PolarHBondContact O-N 3.31Å |
| 13 | T | 40.8 | Very low | 46.5 | Very low | 140 Ų | 140 | 121.8 Ų | 121.8 | 86% | 0.859 | 66% | 0.662 | S | S | * | * | trans | 40.1 | 63.5 | 168 | -45.4 | 0 | 0 | 0 | 0 | 116.1 | R15 | T13-R15 PolarHBondContact O-N 3.16Š| ||
| 14 | S | 34.9 | Very low | 48.2 | Very low | 99 Ų | 99 | 121.1 Ų | 121.1 | 69% | 0.692 | 66% | 0.659 | S | S | * | * | trans | -84.9 | 92.7 | 168 | -161.6 | 0 | 0 | 0 | 0 | 109.4 | G12 T16 | G12-S14 PolarHBondContact O-N 3.31Å; S14-T16 PolarHBondContact O-N 3.25Å; S14-T16 VanDerWaalsContact O-N 3.16Å | ||
| 15 | R | 41.6 | Very low | 49.9 | Very low | 216 Ų | 216 | 117.2 Ų | 117.2 | 82% | 0.815 | 64% | 0.636 | S | S | * | * | trans | -68 | 104.8 | 154.3 | -79.1 | -178 | -173.3 | 160.5 | 2.9 | 105.5 | T13 V17 | T13-R15 PolarHBondContact O-N 3.16Å; R15-V17 PolarHBondContact O-N 2.79Å | ||
| 16 | T | 46.7 | Very low | 51.5 | Low | 129 Ų | 129 | 115.1 Ų | 115.1 | 79% | 0.791 | 62% | 0.621 | S | S | * | * | trans | -62 | 90 | 162.4 | 41.6 | 0 | 0 | 0 | 0 | 107.5 | S14 S18 | S14-T16 PolarHBondContact O-N 3.25Å; S14-T16 VanDerWaalsContact O-N 3.16Å; T16-S18 PolarHBondContact O-N 3.05Å | ||
| 17 | V | 60.3 | Low | 53.6 | Low | 70 Ų | 70 | 110 Ų | 110 | 42% | 0.424 | 60% | 0.601 | S | S | . | * | trans | -59.7 | 112.7 | 175.4 | -177.2 | 0 | 0 | 0 | 0 | 106.5 | R15 R19 L21 I22 M25 | R15-V17 PolarHBondContact O-N 2.79Å; V17-R19 PolarHBondContact O-N 3.14Å; V17-L21 HydrophobicContact CG1-CB 4.17Å; V17-L21 HydrophobicContact CG1-CD2 4.01Å; V17-L21 HydrophobicContact CG1-CG 4.36Å; V17-I22 HydrophobicContact CB-CG1 4.35Å; V17-I22 HydrophobicContact CG1-CD1 4.18Å; V17-I22 HydrophobicContact CG1-CG1 3.52Å; V17-M25 HydrophobicContact CG1-CE 3.85Å | ||
| 18 | S | 71.8 | Confident | 55.7 | Low | 72 Ų | 72 | 110.8 Ų | 110.8 | 50% | 0.503 | 60% | 0.598 | S | S | . | * | trans | -57.3 | 138.1 | 179.4 | 176.7 | 0 | 0 | 0 | 0 | 109.3 | T16 A20 L21 I22 | T16-S18 PolarHBondContact O-N 3.05Å; S18-A20 PolarHBondContact O-N 3.43Å; S18-A20 VanDerWaalsContact O-N 3.07Å; S18-A20 PolarHBondContact OG-N 3.24Å; S18-L21 WeakPolarHBondContact O-CA 3.27Å; S18-L21 VanDerWaalsContact O-CB 3.3Å; S18-L21 WeakPolarHBondContact O-CB 3.5Å; S18-L21 PolarHBondContact O-N 3.47Å; S18-I22 PolarHBondContact O-N 2.8Å; S18-I22 VanDerWaalsContact O-N 3.12Å | ||
| 19 | R | 65.4 | Low | 57.3 | Low | 209 Ų | 209 | 105.1 Ų | 105.1 | 79% | 0.789 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -52.1 | -33.7 | 175.4 | -73 | -175.4 | 174.5 | -176.3 | -4 | 112 | V17 L21 I22 I23 | V17-R19 PolarHBondContact O-N 3.14Å; R19-L21 VanDerWaalsContact C-N 3.32Å; R19-L21 PolarHBondContact O-N 3.27Å; R19-I22 PolarHBondContact O-N 3.07Å; R19-I23 WeakPolarHBondContact O-CD1 3.3Å; R19-I23 VanDerWaalsContact O-CG1 3.27Å; R19-I23 WeakPolarHBondContact O-CG1 3.39Å; R19-I23 PolarHBondContact O-N 3.37Å |
| 20 | A | 68.6 | Low | 59.4 | Low | 56 Ų | 56 | 100.9 Ų | 100.9 | 46% | 0.463 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | S18 I23 Q24 | S18-A20 PolarHBondContact O-N 3.43Å; S18-A20 VanDerWaalsContact O-N 3.07Å; S18-A20 PolarHBondContact OG-N 3.24Å; A20-I23 PolarHBondContact O-N 3.03Å; A20-Q24 WeakPolarHBondContact O-CB 3.41Å; A20-Q24 WeakPolarHBondContact O-CG 3.38Å; A20-Q24 PolarHBondContact O-N 3.12Å |
| 21 | L | 70.9 | Confident | 61.2 | Low | 83 Ų | 83 | 98.8 Ų | 98.8 | 44% | 0.435 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.8 | -39 | 177.1 | -167.3 | 67 | 0 | 0 | 0 | 111.3 | V17 S18 R19 I23 Q24 M25 | V17-L21 HydrophobicContact CG1-CB 4.17Å; V17-L21 HydrophobicContact CG1-CD2 4.01Å; V17-L21 HydrophobicContact CG1-CG 4.36Å; S18-L21 WeakPolarHBondContact O-CA 3.27Å; S18-L21 VanDerWaalsContact O-CB 3.3Å; S18-L21 WeakPolarHBondContact O-CB 3.5Å; S18-L21 PolarHBondContact O-N 3.47Å; R19-L21 VanDerWaalsContact C-N 3.32Å; R19-L21 PolarHBondContact O-N 3.27Å; L21-I23 VanDerWaalsContact C-N 3.35Å; L21-Q24 PolarHBondContact O-N 3.01Å; L21-M25 HydrophobicContact CG-CE 4.2Å; L21-M25 WeakPolarHBondContact O-CB 3.33Å; L21-M25 VanDerWaalsContact O-CG 3.29Å; L21-M25 WeakPolarHBondContact O-CG 3.49Å; L21-M25 PolarHBondContact O-N 3.49Å |
| 22 | I | 69.3 | Low | 63.1 | Low | 60 Ų | 60 | 95.3 Ų | 95.3 | 31% | 0.308 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 173.6 | -60.7 | 177.9 | 0 | 0 | 0 | 110.5 | V17 S18 R19 Q24 M25 M26 | V17-I22 HydrophobicContact CB-CG1 4.35Å; V17-I22 HydrophobicContact CG1-CD1 4.18Å; V17-I22 HydrophobicContact CG1-CG1 3.52Å; S18-I22 PolarHBondContact O-N 2.8Å; S18-I22 VanDerWaalsContact O-N 3.12Å; R19-I22 PolarHBondContact O-N 3.07Å; I22-Q24 VanDerWaalsContact C-N 3.34Å; I22-Q24 PolarHBondContact O-N 3.43Å; I22-M25 HydrophobicContact CG1-CE 4.37Å; I22-M25 PolarHBondContact O-N 3.12Å; I22-M26 HydrophobicContact CG2-CE 3.58Å; I22-M26 HydrophobicContact CG2-CG 4.49Å; I22-M26 WeakPolarHBondContact O-CB 3.29Å; I22-M26 WeakPolarHBondContact O-CG 3.42Å; I22-M26 PolarHBondContact O-N 3.28Å |
| 23 | I | 68.3 | Low | 65 | Low | 92 Ų | 92 | 92.7 Ų | 92.7 | 47% | 0.472 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 177.8 | -67.8 | 165.2 | 0 | 0 | 0 | 111 | R19 A20 L21 A27 | R19-I23 WeakPolarHBondContact O-CD1 3.3Å; R19-I23 VanDerWaalsContact O-CG1 3.27Å; R19-I23 WeakPolarHBondContact O-CG1 3.39Å; R19-I23 PolarHBondContact O-N 3.37Å; A20-I23 PolarHBondContact O-N 3.03Å; L21-I23 VanDerWaalsContact C-N 3.35Å; I23-A27 VanDerWaalsContact O-CB 3.31Å; I23-A27 WeakPolarHBondContact O-CB 3.43Å; I23-A27 PolarHBondContact O-N 2.95Å |
| 24 | Q | 71.2 | Confident | 66.8 | Low | 132 Ų | 132 | 89.4 Ų | 89.4 | 62% | 0.617 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.1 | -46 | 176.1 | -78.5 | -175.9 | 2.2 | 0 | 0 | 112.2 | A20 L21 I22 M26 A27 E28 | A20-Q24 WeakPolarHBondContact O-CB 3.41Å; A20-Q24 WeakPolarHBondContact O-CG 3.38Å; A20-Q24 PolarHBondContact O-N 3.12Å; L21-Q24 PolarHBondContact O-N 3.01Å; I22-Q24 VanDerWaalsContact C-N 3.34Å; I22-Q24 PolarHBondContact O-N 3.43Å; Q24-M26 VanDerWaalsContact C-N 3.35Å; Q24-M26 PolarHBondContact O-N 2.98Å; Q24-A27 PolarHBondContact O-N 2.86Å; Q24-E28 PolarHBondContact O-N 3.3Å |
| 25 | M | 69.5 | Low | 69 | Low | 73 Ų | 73 | 89.9 Ų | 89.9 | 36% | 0.36 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 176.6 | -71.5 | -174.6 | -63.4 | 0 | 0 | 111.6 | V17 L21 I22 A27 E28 N29 | V17-M25 HydrophobicContact CG1-CE 3.85Å; L21-M25 HydrophobicContact CG-CE 4.2Å; L21-M25 WeakPolarHBondContact O-CB 3.33Å; L21-M25 VanDerWaalsContact O-CG 3.29Å; L21-M25 WeakPolarHBondContact O-CG 3.49Å; L21-M25 PolarHBondContact O-N 3.49Å; I22-M25 HydrophobicContact CG1-CE 4.37Å; I22-M25 PolarHBondContact O-N 3.12Å; M25-A27 VanDerWaalsContact C-N 3.35Å; M25-A27 PolarHBondContact O-N 3.1Å; M25-E28 PolarHBondContact O-N 2.99Å; M25-N29 WeakPolarHBondContact O-CB 3.4Å; M25-N29 PolarHBondContact O-N 2.81Å; M25-N29 PolarHBondContact O-ND2 3.31Å; M25-N29 VanDerWaalsContact O-ND2 3.07Å |
| 26 | M | 69.9 | Low | 70.7 | Confident | 16 Ų | 16 | 85.2 Ų | 85.2 | 8% | 0.079 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 174.6 | -73 | -152.4 | -143.6 | 0 | 0 | 112.3 | I22 Q24 F30 L101 Y190 | I22-M26 HydrophobicContact CG2-CE 3.58Å; I22-M26 HydrophobicContact CG2-CG 4.49Å; I22-M26 WeakPolarHBondContact O-CB 3.29Å; I22-M26 WeakPolarHBondContact O-CG 3.42Å; I22-M26 PolarHBondContact O-N 3.28Å; Q24-M26 VanDerWaalsContact C-N 3.35Å; Q24-M26 PolarHBondContact O-N 2.98Å; M26-F30 VanDerWaalsContact O-CB 3.3Å; M26-F30 WeakPolarHBondContact O-CB 3.46Å; M26-F30 PolarHBondContact O-N 3.17Å; M26-L101 WeakPolarHBondContact CE-O 3.46Å; M26-Y190 HydrophobicContact CE-CE2 3.85Å; M26-Y190 HydrophobicContact SD-CD2 4.36Å; M26-Y190 HydrophobicContact SD-CE2 3.7Å |
| 27 | A | 72.9 | Confident | 72.2 | Confident | 59 Ų | 59 | 79.6 Ų | 79.6 | 49% | 0.488 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67 | -38.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I23 Q24 M25 F30 | I23-A27 VanDerWaalsContact O-CB 3.31Å; I23-A27 WeakPolarHBondContact O-CB 3.43Å; I23-A27 PolarHBondContact O-N 2.95Å; Q24-A27 PolarHBondContact O-N 2.86Å; M25-A27 VanDerWaalsContact C-N 3.35Å; M25-A27 PolarHBondContact O-N 3.1Å; A27-F30 WeakPolarHBondContact O-CB 3.35Å; A27-F30 PolarHBondContact O-N 3.2Å |
| 28 | E | 74.5 | Confident | 73.2 | Confident | 125 Ų | 125 | 79.8 Ų | 79.8 | 58% | 0.584 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -68.5 | -42.8 | 175.8 | -170.5 | 177.4 | 173.8 | 0 | 0 | 111.6 | Q24 M25 F30 E31 | Q24-E28 PolarHBondContact O-N 3.3Å; M25-E28 PolarHBondContact O-N 2.99Å; E28-F30 VanDerWaalsContact C-N 3.26Å; E28-F30 PolarHBondContact O-N 3.18Å; E28-E31 PolarHBondContact O-N 3.42Å |
| 29 | N | 70.9 | Confident | 73.8 | Confident | 8 Ų | 8 | 81.1 Ų | 81.1 | 4% | 0.043 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -72.7 | -19.4 | 176.7 | -68.4 | -39.2 | 0 | 0 | 0 | 113 | M25 E31 R32 L33 L193 S197 N200 | M25-N29 WeakPolarHBondContact O-CB 3.4Å; M25-N29 PolarHBondContact O-N 2.81Å; M25-N29 PolarHBondContact O-ND2 3.31Å; M25-N29 VanDerWaalsContact O-ND2 3.07Å; N29-E31 VanDerWaalsContact C-N 3.26Å; N29-E31 PolarHBondContact O-N 3.08Å; N29-R32 WeakPolarHBondContact O-CB 3.39Å; N29-R32 PolarHBondContact O-N 3.37Å; N29-L33 PolarHBondContact O-N 3.09Å; N29-L193 HydrophobicContact CB-CD2 4.25Å; N29-S197 VanDerWaalsContact ND2-CA 3.32Å; N29-S197 WeakPolarHBondContact ND2-CA 3.41Å; N29-S197 WeakPolarHBondContact ND2-CB 3.45Å; N29-S197 PolarHBondContact ND2-OG 3.5Å; N29-N200 PolarHBondContact OD1-ND2 3.41Å |
| 30 | F | 75.8 | Confident | 74.8 | Confident | 34 Ų | 34 | 73.2 Ų | 73.2 | 15% | 0.149 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.6 | -33.5 | 172.7 | -172.8 | -100.7 | 0 | 0 | 0 | 113 | M26 A27 E28 R32 L33 R38 F41 L193 | M26-F30 VanDerWaalsContact O-CB 3.3Å; M26-F30 WeakPolarHBondContact O-CB 3.46Å; M26-F30 PolarHBondContact O-N 3.17Å; A27-F30 WeakPolarHBondContact O-CB 3.35Å; A27-F30 PolarHBondContact O-N 3.2Å; E28-F30 VanDerWaalsContact C-N 3.26Å; E28-F30 PolarHBondContact O-N 3.18Å; F30-R32 VanDerWaalsContact C-N 3.26Å; F30-R32 PolarHBondContact O-N 2.92Å; F30-L33 HydrophobicContact CD2-CD1 3.8Å; F30-L33 HydrophobicContact CE2-CD1 4.14Å; F30-L33 PolarHBondContact O-N 3.46Å; F30-R38 HydrophobicContact CD1-CG 4.3Å; F30-R38 HydrophobicContact CE1-CG 3.59Å; F30-R38 HydrophobicContact CZ-CB 4.45Å; F30-R38 HydrophobicContact CZ-CG 3.79Å; F30-F41 HydrophobicContact CE2-CB 3.8Å; F30-F41 AromaticContact CE2-CD1 3.62Å; F30-F41 HydrophobicContact CE2-CD1 3.62Å; F30-F41 HydrophobicContact CE2-CE1 4.41Å; F30-F41 AromaticContact CE2-CG 3.7Å; F30-F41 HydrophobicContact CE2-CG 3.7Å; F30-F41 HydrophobicContact CZ-CB 3.97Å; F30-F41 AromaticContact CZ-CD1 3.82Å; F30-F41 HydrophobicContact CZ-CD1 3.82Å; F30-F41 HydrophobicContact CZ-CG 4.13Å; F30-L193 HydrophobicContact CB-CD2 4.21Å; F30-L193 HydrophobicContact CD2-CD1 4.17Å; F30-L193 HydrophobicContact CD2-CD2 4.46Å |
| 31 | E | 73.6 | Confident | 75.5 | Confident | 122 Ų | 122 | 71.3 Ų | 71.3 | 57% | 0.57 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -20.7 | 174.6 | -69.2 | -59.6 | 154.6 | 0 | 0 | 113.1 | E28 N29 R38 | E28-E31 PolarHBondContact O-N 3.42Å; N29-E31 VanDerWaalsContact C-N 3.26Å; N29-E31 PolarHBondContact O-N 3.08Å; E31-R38 IonicContact OE2-CZ 3.79Å; E31-R38 IonicContact OE2-NH1 2.72Å; E31-R38 PolarHBondContact OE2-NH1 3.39Å |
| 32 | R | 73.6 | Confident | 76.2 | Confident | 144 Ų | 144 | 70.5 Ų | 70.5 | 54% | 0.543 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -7.8 | 176.9 | -65.6 | -175.8 | 177.6 | 162.3 | 0.6 | 113.7 | N29 F30 N200 | N29-R32 WeakPolarHBondContact O-CB 3.39Å; N29-R32 PolarHBondContact O-N 3.37Å; F30-R32 VanDerWaalsContact C-N 3.26Å; F30-R32 PolarHBondContact O-N 2.92Å; R32-N200 PolarHBondContact NH1-ND2 3.23Å |
| 33 | L | 75.2 | Confident | 77.2 | Confident | 8 Ų | 8 | 73.2 Ų | 73.2 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -63.6 | 153.3 | 175.2 | -81.9 | 174.8 | 0 | 0 | 0 | 111.7 | N29 F30 E35 D37 K192 L193 L196 | N29-L33 PolarHBondContact O-N 3.09Å; F30-L33 HydrophobicContact CD2-CD1 3.8Å; F30-L33 HydrophobicContact CE2-CD1 4.14Å; F30-L33 PolarHBondContact O-N 3.46Å; L33-E35 PolarHBondContact O-N 3.41Å; L33-D37 HydrophobicContact CB-CB 4.47Å; L33-D37 HydrophobicContact CD1-CB 4.45Å; L33-K192 HydrophobicContact CD2-CB 3.9Å; L33-L193 HydrophobicContact CD1-CD1 3.95Å; L33-L193 HydrophobicContact CD1-CD2 3.54Å; L33-L193 HydrophobicContact CD1-CG 3.68Å; L33-L193 HydrophobicContact CD2-CD2 4.08Å; L33-L193 HydrophobicContact CD2-CG 4.09Å; L33-L193 HydrophobicContact CG-CD2 3.56Å; L33-L193 HydrophobicContact CG-CG 3.99Å; L33-L196 HydrophobicContact CD2-CD1 4.36Å |
| 34 | P | 79.1 | Confident | 78.2 | Confident | 70 Ų | 70 | 69 Ų | 69 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | trans | -51.5 | 138.3 | 166.8 | -22.5 | 32.5 | 0 | 0 | 0 | 110.7 | L36 D37 R38 | P34-L36 PolarHBondContact O-N 2.98Å; P34-D37 PolarHBondContact O-N 3.26Å; P34-R38 PolarHBondContact O-N 3.05Å; P34-R38 VanDerWaalsContact O-N 3.14Å | ||
| 35 | E | 80.1 | Confident | 79.3 | Confident | 109 Ų | 109 | 62.9 Ų | 62.9 | 51% | 0.509 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -53.4 | -34.6 | -175.7 | -166.8 | -163.9 | -179.3 | 0 | 0 | 112.6 | L33 K39 | L33-E35 PolarHBondContact O-N 3.41Å; E35-K39 HydrophobicContact CG-CD 4.28Å; E35-K39 WeakPolarHBondContact O-CB 3.32Å; E35-K39 VanDerWaalsContact O-CG 3.28Å; E35-K39 WeakPolarHBondContact O-CG 3.45Å; E35-K39 PolarHBondContact O-N 3.47Å; E35-K39 WeakPolarHBondContact OE1-CE 2.9Å; E35-K39 IonicContact OE1-NZ 2.63Å; E35-K39 PolarHBondContact OE1-NZ 3.32Å; E35-K39 IonicContact OE2-NZ 3.55Å |
| 36 | L | 76.4 | Confident | 80.6 | Confident | 118 Ų | 118 | 63.4 Ų | 63.4 | 62% | 0.618 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.3 | -42.7 | 178.1 | -172 | 132.2 | 0 | 0 | 0 | 112.6 | P34 K39 I40 | P34-L36 PolarHBondContact O-N 2.98Å; L36-K39 PolarHBondContact O-N 3.48Å; L36-I40 HydrophobicContact CD2-CD1 3.58Å; L36-I40 HydrophobicContact CG-CD1 4.14Å; L36-I40 VanDerWaalsContact O-CG1 3.27Å; L36-I40 WeakPolarHBondContact O-CG1 3.18Å; L36-I40 PolarHBondContact O-N 2.89Å |
| 37 | D | 78.8 | Confident | 81.7 | Confident | 12 Ų | 12 | 70.9 Ų | 70.9 | 6% | 0.064 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.6 | -43 | 178.1 | -71.8 | -27.9 | 0 | 0 | 0 | 110.4 | L33 P34 K39 I40 F41 K192 | L33-D37 HydrophobicContact CB-CB 4.47Å; L33-D37 HydrophobicContact CD1-CB 4.45Å; P34-D37 PolarHBondContact O-N 3.26Å; D37-K39 PolarHBondContact O-N 3.4Å; D37-I40 PolarHBondContact O-N 3.08Å; D37-F41 WeakPolarHBondContact O-CB 3.35Å; D37-F41 PolarHBondContact O-N 3.46Å; D37-K192 IonicContact OD1-NZ 3.62Å; D37-K192 WeakPolarHBondContact OD2-CD 3.14Å; D37-K192 IonicContact OD2-NZ 2.7Å; D37-K192 PolarHBondContact OD2-NZ 3.36Å |
| 38 | R | 81.1 | Confident | 82.8 | Confident | 74 Ų | 74 | 68.2 Ų | 68.2 | 28% | 0.279 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 174.4 | -173.7 | 171.5 | 65.5 | -159.1 | -10 | 111.7 | F30 E31 P34 F41 T42 | F30-R38 HydrophobicContact CD1-CG 4.3Å; F30-R38 HydrophobicContact CE1-CG 3.59Å; F30-R38 HydrophobicContact CZ-CB 4.45Å; F30-R38 HydrophobicContact CZ-CG 3.79Å; E31-R38 IonicContact OE2-CZ 3.79Å; E31-R38 IonicContact OE2-NH1 2.72Å; E31-R38 PolarHBondContact OE2-NH1 3.39Å; P34-R38 PolarHBondContact O-N 3.05Å; P34-R38 VanDerWaalsContact O-N 3.14Å; R38-F41 PolarHBondContact O-N 2.97Å; R38-T42 WeakPolarHBondContact O-CB 3.44Å; R38-T42 PolarHBondContact O-N 3.5Å; R38-T42 PolarHBondContact O-OG1 2.98Å; R38-T42 VanDerWaalsContact O-OG1 3.09Å |
| 39 | K | 85.8 | Confident | 83.8 | Confident | 100 Ų | 100 | 62.3 Ų | 62.3 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 177.3 | -78.5 | 174.7 | -179.8 | 169.3 | 0 | 111.9 | E35 L36 D37 F41 T42 Y43 | E35-K39 HydrophobicContact CG-CD 4.28Å; E35-K39 WeakPolarHBondContact O-CB 3.32Å; E35-K39 VanDerWaalsContact O-CG 3.28Å; E35-K39 WeakPolarHBondContact O-CG 3.45Å; E35-K39 PolarHBondContact O-N 3.47Å; E35-K39 WeakPolarHBondContact OE1-CE 2.9Å; E35-K39 IonicContact OE1-NZ 2.63Å; E35-K39 PolarHBondContact OE1-NZ 3.32Å; E35-K39 IonicContact OE2-NZ 3.55Å; L36-K39 PolarHBondContact O-N 3.48Å; D37-K39 PolarHBondContact O-N 3.4Å; K39-F41 VanDerWaalsContact C-N 3.31Å; K39-F41 PolarHBondContact O-N 3.42Å; K39-T42 PolarHBondContact O-N 3.07Å; K39-Y43 HydrophobicContact CB-CD2 4.4Å; K39-Y43 WeakPolarHBondContact O-CB 3.31Å; K39-Y43 WeakPolarHBondContact O-CD2 3.09Å; K39-Y43 PolarHBondContact O-N 3.09Å |
| 40 | I | 84.8 | Confident | 85 | Confident | 42 Ų | 42 | 62.9 Ų | 62.9 | 22% | 0.215 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65 | -38.6 | 178.5 | -69.3 | 169 | 0 | 0 | 0 | 110.9 | L36 D37 G44 L182 R185 H186 | L36-I40 HydrophobicContact CD2-CD1 3.58Å; L36-I40 HydrophobicContact CG-CD1 4.14Å; L36-I40 VanDerWaalsContact O-CG1 3.27Å; L36-I40 WeakPolarHBondContact O-CG1 3.18Å; L36-I40 PolarHBondContact O-N 2.89Å; D37-I40 PolarHBondContact O-N 3.08Å; I40-G44 WeakPolarHBondContact O-CA 3.44Å; I40-G44 PolarHBondContact O-N 2.84Å; I40-L182 HydrophobicContact CG2-CD1 4.08Å; I40-R185 HydrophobicContact CG2-CB 3.95Å; I40-H186 PolarHBondContact O-NE2 3.35Å |
| 41 | F | 83.8 | Confident | 86 | Confident | 17 Ų | 17 | 63.3 Ų | 63.3 | 8% | 0.075 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.9 | -47.2 | 177.7 | -160.4 | -84.8 | 0 | 0 | 0 | 111.9 | F30 D37 R38 K39 P45 L100 L101 H186 | F30-F41 HydrophobicContact CE2-CB 3.8Å; F30-F41 AromaticContact CE2-CD1 3.62Å; F30-F41 HydrophobicContact CE2-CD1 3.62Å; F30-F41 HydrophobicContact CE2-CE1 4.41Å; F30-F41 AromaticContact CE2-CG 3.7Å; F30-F41 HydrophobicContact CE2-CG 3.7Å; F30-F41 HydrophobicContact CZ-CB 3.97Å; F30-F41 AromaticContact CZ-CD1 3.82Å; F30-F41 HydrophobicContact CZ-CD1 3.82Å; F30-F41 HydrophobicContact CZ-CG 4.13Å; D37-F41 WeakPolarHBondContact O-CB 3.35Å; D37-F41 PolarHBondContact O-N 3.46Å; R38-F41 PolarHBondContact O-N 2.97Å; K39-F41 VanDerWaalsContact C-N 3.31Å; K39-F41 PolarHBondContact O-N 3.42Å; F41-P45 WeakPolarHBondContact O-CD 3.4Å; F41-L100 HydrophobicContact CE2-CD2 4.31Å; F41-L101 HydrophobicContact CE1-CD1 3.66Å; F41-L101 HydrophobicContact CE1-CD2 4.11Å; F41-L101 HydrophobicContact CE1-CG 4.03Å; F41-L101 HydrophobicContact CE2-CD2 4.32Å; F41-L101 HydrophobicContact CZ-CD1 3.73Å; F41-L101 HydrophobicContact CZ-CD2 3.68Å; F41-L101 HydrophobicContact CZ-CG 3.57Å; F41-H186 WeakPolarHBondContact CA-NE2 3.32Å; F41-H186 HydrophobicContact CD2-CB 4.47Å; F41-H186 HydrophobicContact CE2-CB 4.43Å |
| 42 | T | 85.1 | Confident | 87.1 | Confident | 65 Ų | 65 | 57.5 Ų | 57.5 | 40% | 0.399 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -75.2 | -46.2 | -177.2 | -58.6 | 0 | 0 | 0 | 0 | 113.3 | R38 K39 | R38-T42 WeakPolarHBondContact O-CB 3.44Å; R38-T42 PolarHBondContact O-N 3.5Å; R38-T42 PolarHBondContact O-OG1 2.98Å; R38-T42 VanDerWaalsContact O-OG1 3.09Å; K39-T42 PolarHBondContact O-N 3.07Å |
| 43 | Y | 90 | Very high | 88.3 | Confident | 117 Ų | 117 | 51.3 Ų | 51.3 | 46% | 0.459 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -95.5 | -17.9 | -173.8 | -66.4 | -74.6 | 0 | 0 | 0 | 113.7 | K39 M46 Y47 | K39-Y43 HydrophobicContact CB-CD2 4.4Å; K39-Y43 WeakPolarHBondContact O-CB 3.31Å; K39-Y43 WeakPolarHBondContact O-CD2 3.09Å; K39-Y43 PolarHBondContact O-N 3.09Å; Y43-M46 HydrophobicContact CD1-CE 3.6Å; Y43-M46 HydrophobicContact CD1-SD 3.86Å; Y43-M46 HydrophobicContact CE1-CE 3.88Å; Y43-M46 HydrophobicContact CE1-SD 4.35Å; Y43-M46 WeakPolarHBondContact O-CA 3.31Å; Y43-M46 VanDerWaalsContact O-CB 3.31Å; Y43-M46 WeakPolarHBondContact O-CB 3.39Å; Y43-M46 PolarHBondContact O-N 3.22Å; Y43-Y47 WeakPolarHBondContact O-CD2 3.27Å; Y43-Y47 PolarHBondContact O-N 2.92Å |
| 44 | G | 91.3 | Very high | 89.3 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -48.8 | -52.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | I40 M46 Y47 L48 L182 | I40-G44 WeakPolarHBondContact O-CA 3.44Å; I40-G44 PolarHBondContact O-N 2.84Å; G44-M46 PolarHBondContact O-N 2.94Å; G44-Y47 PolarHBondContact O-N 2.9Å; G44-Y47 VanDerWaalsContact O-N 3.11Å; G44-L48 PolarHBondContact O-N 3.17Å; G44-L182 VanDerWaalsContact O-CD2 3.29Å; G44-L182 WeakPolarHBondContact O-CD2 3.32Å |
| 45 | P | 94.1 | Very high | 90.2 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.3 | -35 | 176.5 | -23.7 | 33.6 | 0 | 0 | 0 | 112.6 | F41 L48 G49 V89 Y92 | F41-P45 WeakPolarHBondContact O-CD 3.4Å; P45-L48 PolarHBondContact O-N 2.03Å; P45-G49 PolarHBondContact O-N 3.16Å; P45-V89 HydrophobicContact CB-CG1 4.46Å; P45-V89 WeakPolarHBondContact O-CG2 3.39Å; P45-Y92 HydrophobicContact CB-CD1 3.9Å; P45-Y92 HydrophobicContact CB-CG 4.41Å; P45-Y92 HydrophobicContact CG-CD1 3.64Å; P45-Y92 HydrophobicContact CG-CE1 3.95Å |
| 46 | M | 95.4 | Very high | 91 | Very high | 84 Ų | 84 | 49 Ų | 49 | 41% | 0.414 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.2 | -39 | 176.6 | -56.6 | -172.1 | -141.2 | 0 | 0 | 112.2 | Y43 G44 G49 G50 | Y43-M46 HydrophobicContact CD1-CE 3.6Å; Y43-M46 HydrophobicContact CD1-SD 3.86Å; Y43-M46 HydrophobicContact CE1-CE 3.88Å; Y43-M46 HydrophobicContact CE1-SD 4.35Å; Y43-M46 WeakPolarHBondContact O-CA 3.31Å; Y43-M46 VanDerWaalsContact O-CB 3.31Å; Y43-M46 WeakPolarHBondContact O-CB 3.39Å; Y43-M46 PolarHBondContact O-N 3.22Å; G44-M46 PolarHBondContact O-N 2.94Å; M46-G49 CarbonylContact O-C 3.58Å; M46-G49 PolarHBondContact O-N 3.36Å; M46-G50 PolarHBondContact O-N 2.99Å |
| 47 | Y | 94.1 | Very high | 92 | Very high | 173 Ų | 173 | 46.2 Ų | 46.2 | 68% | 0.678 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -63.8 | -43.8 | 174.4 | -75 | -71.1 | 0 | 0 | 0 | 111.7 | Y43 G44 G49 G50 N51 | Y43-Y47 WeakPolarHBondContact O-CD2 3.27Å; Y43-Y47 PolarHBondContact O-N 2.92Å; G44-Y47 PolarHBondContact O-N 2.9Å; G44-Y47 VanDerWaalsContact O-N 3.11Å; Y47-G49 VanDerWaalsContact C-N 3.31Å; Y47-G49 PolarHBondContact O-N 3.2Å; Y47-G50 PolarHBondContact O-N 3.46Å; Y47-N51 PolarHBondContact O-N 3.04Å |
| 48 | L | 94.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.4 | -39.8 | 174.6 | -170.7 | 65.3 | 0 | 0 | 0 | 111.3 | G44 P45 N51 G52 T88 Y92 V118 F178 L182 | G44-L48 PolarHBondContact O-N 3.17Å; P45-L48 PolarHBondContact O-N 2.03Å; L48-N51 WeakPolarHBondContact O-CB 3.16Å; L48-N51 PolarHBondContact O-N 3.13Å; L48-G52 PolarHBondContact O-N 3.3Å; L48-T88 HydrophobicContact CB-CG2 4.35Å; L48-T88 HydrophobicContact CD2-CG2 4.08Å; L48-T88 HydrophobicContact CG-CG2 3.73Å; L48-Y92 HydrophobicContact CD2-CD2 3.43Å; L48-Y92 VanDerWaalsContact CD2-CD2 3.43Å; L48-Y92 HydrophobicContact CD2-CE2 4.05Å; L48-Y92 HydrophobicContact CD2-CG 4.19Å; L48-V118 HydrophobicContact CD2-CG1 4.15Å; L48-F178 HydrophobicContact CD1-CB 4.21Å; L48-L182 HydrophobicContact CB-CD2 4.07Å; L48-L182 HydrophobicContact CD2-CD2 4.37Å |
| 49 | G | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.3 | -45.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P45 M46 Y47 N51 G52 A53 F85 | P45-G49 PolarHBondContact O-N 3.16Å; M46-G49 CarbonylContact O-C 3.58Å; M46-G49 PolarHBondContact O-N 3.36Å; Y47-G49 VanDerWaalsContact C-N 3.31Å; Y47-G49 PolarHBondContact O-N 3.2Å; G49-N51 VanDerWaalsContact C-N 3.29Å; G49-N51 PolarHBondContact O-N 3.3Å; G49-G52 CarbonylContact O-C 3.58Å; G49-G52 WeakPolarHBondContact O-CA 3.37Å; G49-G52 PolarHBondContact O-N 3.31Å; G49-A53 PolarHBondContact O-N 3.08Å; G49-F85 WeakPolarHBondContact O-CA 3.41Å; G49-F85 WeakPolarHBondContact O-CD2 2.96Å |
| 50 | G | 97.1 | Very high | 94.2 | Very high | 20 Ų | 20 | 41 Ų | 41 | 21% | 0.206 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.5 | -43.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | M46 Y47 G52 A53 F54 | M46-G50 PolarHBondContact O-N 2.99Å; Y47-G50 PolarHBondContact O-N 3.46Å; G50-G52 VanDerWaalsContact C-N 3.31Å; G50-G52 PolarHBondContact O-N 3.09Å; G50-A53 VanDerWaalsContact O-CB 3.28Å; G50-A53 WeakPolarHBondContact O-CB 3.42Å; G50-A53 PolarHBondContact O-N 3.31Å; G50-A53 VanDerWaalsContact O-N 3.12Å; G50-F54 VanDerWaalsContact O-CD2 3.29Å; G50-F54 WeakPolarHBondContact O-CD2 3.47Å; G50-F54 PolarHBondContact O-N 3.07Å |
| 51 | N | 95.8 | Very high | 94.8 | Very high | 44 Ų | 44 | 42.6 Ų | 42.6 | 24% | 0.235 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.7 | -39.9 | 173.1 | -72.2 | -19.7 | 0 | 0 | 0 | 112.2 | Y47 L48 G49 F54 A55 Q175 | Y47-N51 PolarHBondContact O-N 3.04Å; L48-N51 WeakPolarHBondContact O-CB 3.16Å; L48-N51 PolarHBondContact O-N 3.13Å; G49-N51 VanDerWaalsContact C-N 3.29Å; G49-N51 PolarHBondContact O-N 3.3Å; N51-F54 PolarHBondContact O-N 3.34Å; N51-A55 WeakPolarHBondContact O-CB 3.32Å; N51-A55 PolarHBondContact O-N 2.93Å; N51-Q175 VanDerWaalsContact CB-OE1 3.23Å; N51-Q175 PolarHBondContact O-NE2 3.44Å |
| 52 | G | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.3 | -40.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L48 G49 G50 A55 G56 P84 | L48-G52 PolarHBondContact O-N 3.3Å; G49-G52 CarbonylContact O-C 3.58Å; G49-G52 WeakPolarHBondContact O-CA 3.37Å; G49-G52 PolarHBondContact O-N 3.31Å; G50-G52 VanDerWaalsContact C-N 3.31Å; G50-G52 PolarHBondContact O-N 3.09Å; G52-A55 PolarHBondContact O-N 3.48Å; G52-G56 PolarHBondContact O-N 3.07Å; G52-P84 VanDerWaalsContact O-CB 3.31Å; G52-P84 WeakPolarHBondContact O-CB 3.36Å |
| 53 | A | 97.8 | Very high | 95.9 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 12% | 0.116 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.9 | -47.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G49 G50 A55 G56 L57 A81 F85 | G49-A53 PolarHBondContact O-N 3.08Å; G50-A53 VanDerWaalsContact O-CB 3.28Å; G50-A53 WeakPolarHBondContact O-CB 3.42Å; G50-A53 PolarHBondContact O-N 3.31Å; G50-A53 VanDerWaalsContact O-N 3.12Å; A53-A55 PolarHBondContact O-N 3.17Å; A53-G56 PolarHBondContact O-N 3.43Å; A53-L57 WeakPolarHBondContact O-CG 3.37Å; A53-L57 PolarHBondContact O-N 3.36Å; A53-A81 HydrophobicContact CB-CB 4.32Å; A53-A81 WeakPolarHBondContact CB-O 3.36Å; A53-F85 HydrophobicContact CB-CB 4.09Å |
| 54 | F | 97.3 | Very high | 96.2 | Very high | 138 Ų | 138 | 35.9 Ų | 35.9 | 61% | 0.605 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -61.6 | -43.8 | 176.1 | -85.1 | -72.2 | 0 | 0 | 0 | 111.9 | G50 N51 G56 L57 I58 | G50-F54 VanDerWaalsContact O-CD2 3.29Å; G50-F54 WeakPolarHBondContact O-CD2 3.47Å; G50-F54 PolarHBondContact O-N 3.07Å; N51-F54 PolarHBondContact O-N 3.34Å; F54-G56 VanDerWaalsContact C-N 3.27Å; F54-G56 PolarHBondContact O-N 3.01Å; F54-L57 PolarHBondContact O-N 2.72Å; F54-I58 VanDerWaalsContact O-CG1 3.28Å; F54-I58 WeakPolarHBondContact O-CG1 3.45Å; F54-I58 PolarHBondContact O-N 2.89Å |
| 55 | A | 97.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.2 | -40.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N51 G52 A53 I58 A59 A123 P127 M168 V171 | N51-A55 WeakPolarHBondContact O-CB 3.32Å; N51-A55 PolarHBondContact O-N 2.93Å; G52-A55 PolarHBondContact O-N 3.48Å; A53-A55 PolarHBondContact O-N 3.17Å; A55-I58 PolarHBondContact O-N 2.88Å; A55-A59 VanDerWaalsContact O-CB 3.32Å; A55-A59 WeakPolarHBondContact O-CB 3.3Å; A55-A59 PolarHBondContact O-N 3.35Å; A55-A123 WeakPolarHBondContact CB-O 3.28Å; A55-P127 HydrophobicContact CB-CG 3.96Å; A55-M168 HydrophobicContact CB-CE 4.25Å; A55-V171 HydrophobicContact CB-CG1 3.88Å |
| 56 | G | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.2 | -42.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G52 A53 F54 A59 N60 M80 | G52-G56 PolarHBondContact O-N 3.07Å; A53-G56 PolarHBondContact O-N 3.43Å; F54-G56 VanDerWaalsContact C-N 3.27Å; F54-G56 PolarHBondContact O-N 3.01Å; G56-A59 PolarHBondContact O-N 3.4Å; G56-N60 VanDerWaalsContact O-CB 3.26Å; G56-N60 WeakPolarHBondContact O-CB 3.38Å; G56-N60 PolarHBondContact O-N 2.94Å; G56-M80 WeakPolarHBondContact CA-O 3.48Å |
| 57 | L | 97.8 | Very high | 96.3 | Very high | 59 Ų | 59 | 43.6 Ų | 43.6 | 31% | 0.309 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.2 | -40.4 | 174.9 | -67.8 | 177.9 | 0 | 0 | 0 | 112.5 | A53 F54 N60 S61 N77 A81 | A53-L57 WeakPolarHBondContact O-CG 3.37Å; A53-L57 PolarHBondContact O-N 3.36Å; F54-L57 PolarHBondContact O-N 2.72Å; L57-N60 PolarHBondContact O-N 2.91Å; L57-S61 WeakPolarHBondContact O-CB 3.43Å; L57-S61 PolarHBondContact O-N 3.35Å; L57-N77 HydrophobicContact CD2-CB 3.81Å; L57-N77 WeakPolarHBondContact CD2-O 3.32Å; L57-A81 HydrophobicContact CD1-CB 4.39Å; L57-A81 HydrophobicContact CD2-CB 4.11Å; L57-A81 HydrophobicContact CG-CB 4.19Å |
| 58 | I | 97.3 | Very high | 96.2 | Very high | 76 Ų | 76 | 40.9 Ų | 40.9 | 39% | 0.39 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.1 | -49.8 | 175.9 | -66.3 | 166 | 0 | 0 | 0 | 110 | F54 A55 N60 S61 L62 M168 | F54-I58 VanDerWaalsContact O-CG1 3.28Å; F54-I58 WeakPolarHBondContact O-CG1 3.45Å; F54-I58 PolarHBondContact O-N 2.89Å; A55-I58 PolarHBondContact O-N 2.88Å; I58-N60 VanDerWaalsContact C-N 3.3Å; I58-N60 PolarHBondContact O-N 3.47Å; I58-S61 PolarHBondContact O-N 3.41Å; I58-L62 HydrophobicContact CG2-CD1 4.17Å; I58-L62 WeakPolarHBondContact O-CG 3.26Å; I58-L62 PolarHBondContact O-N 3.39Å; I58-M168 HydrophobicContact CB-SD 4.32Å; I58-M168 HydrophobicContact CG2-SD 3.68Å |
| 59 | A | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.1 | -45.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111 | A55 G56 S61 L62 Y63 I128 A131 M168 | A55-A59 VanDerWaalsContact O-CB 3.32Å; A55-A59 WeakPolarHBondContact O-CB 3.3Å; A55-A59 PolarHBondContact O-N 3.35Å; G56-A59 PolarHBondContact O-N 3.4Å; A59-S61 PolarHBondContact O-N 2.89Å; A59-L62 PolarHBondContact O-N 3.46Å; A59-Y63 WeakPolarHBondContact O-CD2 3.23Å; A59-Y63 PolarHBondContact O-N 2.95Å; A59-I128 HydrophobicContact CB-CG1 4.43Å; A59-A131 HydrophobicContact CB-CB 4.01Å; A59-M168 HydrophobicContact CB-CE 4.13Å; A59-M168 HydrophobicContact CB-SD 4.37Å |
| 60 | N | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.3 | -48.6 | 176.7 | -165.8 | 46.4 | 0 | 0 | 0 | 111.6 | G56 L57 I58 L62 Y63 R64 S76 N77 M80 N135 | G56-N60 VanDerWaalsContact O-CB 3.26Å; G56-N60 WeakPolarHBondContact O-CB 3.38Å; G56-N60 PolarHBondContact O-N 2.94Å; L57-N60 PolarHBondContact O-N 2.91Å; I58-N60 VanDerWaalsContact C-N 3.3Å; I58-N60 PolarHBondContact O-N 3.47Å; N60-L62 VanDerWaalsContact C-N 3.31Å; N60-L62 PolarHBondContact O-N 2.88Å; N60-Y63 PolarHBondContact O-N 3.37Å; N60-R64 WeakPolarHBondContact O-CB 3.27Å; N60-R64 WeakPolarHBondContact O-CG 3.23Å; N60-R64 PolarHBondContact O-N 3.33Å; N60-S76 WeakPolarHBondContact ND2-CB 3.36Å; N60-S76 PolarHBondContact ND2-OG 3.05Å; N60-N77 PolarHBondContact ND2-OD1 3.22Å; N60-M80 HydrophobicContact CB-CB 4.06Å; N60-M80 HydrophobicContact CB-CG 3.84Å; N60-N135 PolarHBondContact OD1-ND2 2.63Å; N60-N135 PolarHBondContact OD1-OD1 3.47Å |
| 61 | S | 96.8 | Very high | 95.8 | Very high | 76 Ų | 76 | 48.5 Ų | 48.5 | 53% | 0.531 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58.4 | -42.2 | 178.7 | -174.8 | 0 | 0 | 0 | 0 | 112.4 | L57 I58 A59 R64 R65 | L57-S61 WeakPolarHBondContact O-CB 3.43Å; L57-S61 PolarHBondContact O-N 3.35Å; I58-S61 PolarHBondContact O-N 3.41Å; A59-S61 PolarHBondContact O-N 2.89Å; S61-R64 PolarHBondContact O-N 3.42Å; S61-R65 PolarHBondContact O-N 3.15Å |
| 62 | L | 96.6 | Very high | 95.4 | Very high | 35 Ų | 35 | 47.2 Ų | 47.2 | 18% | 0.183 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.5 | -46.9 | 177.9 | -69 | 174.6 | 0 | 0 | 0 | 112.3 | I58 A59 N60 R65 A66 I164 K167 M168 | I58-L62 HydrophobicContact CG2-CD1 4.17Å; I58-L62 WeakPolarHBondContact O-CG 3.26Å; I58-L62 PolarHBondContact O-N 3.39Å; A59-L62 PolarHBondContact O-N 3.46Å; N60-L62 VanDerWaalsContact C-N 3.31Å; N60-L62 PolarHBondContact O-N 2.88Å; L62-R65 PolarHBondContact O-N 3.47Å; L62-A66 PolarHBondContact O-N 3.49Å; L62-I164 HydrophobicContact CB-CD1 4.37Å; L62-I164 HydrophobicContact CB-CG1 4.17Å; L62-I164 HydrophobicContact CB-CG2 4.09Å; L62-I164 HydrophobicContact CD1-CG2 4.02Å; L62-K167 HydrophobicContact CD1-CB 4.07Å; L62-K167 HydrophobicContact CD1-CD 4.35Å; L62-K167 HydrophobicContact CD2-CD 3.78Å; L62-M168 HydrophobicContact CD1-CG 4.09Å; L62-M168 HydrophobicContact CD1-SD 4.16Å |
| 63 | Y | 96.3 | Very high | 95 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 177.1 | -84.4 | -73.2 | 0 | 0 | 0 | 112.6 | A59 N60 R65 A66 L67 I128 A131 L132 N135 I160 T161 I164 | A59-Y63 WeakPolarHBondContact O-CD2 3.23Å; A59-Y63 PolarHBondContact O-N 2.95Å; N60-Y63 PolarHBondContact O-N 3.37Å; Y63-R65 VanDerWaalsContact C-N 3.3Å; Y63-R65 PolarHBondContact O-N 3.21Å; Y63-A66 PolarHBondContact O-N 2.96Å; Y63-A66 VanDerWaalsContact O-N 3.16Å; Y63-L67 WeakPolarHBondContact O-CB 3.39Å; Y63-L67 PolarHBondContact O-N 3.21Å; Y63-I128 HydrophobicContact CE2-CG2 4.14Å; Y63-A131 HydrophobicContact CD2-CB 3.55Å; Y63-A131 HydrophobicContact CE2-CB 3.96Å; Y63-A131 HydrophobicContact CG-CB 4.47Å; Y63-L132 HydrophobicContact CE1-CB 4.2Å; Y63-L132 HydrophobicContact CE1-CD1 4.12Å; Y63-L132 HydrophobicContact CE1-CG 4.29Å; Y63-N135 WeakPolarHBondContact CB-ND2 3.38Å; Y63-I160 HydrophobicContact CD1-CG2 4.05Å; Y63-I160 HydrophobicContact CE1-CG2 4.02Å; Y63-T161 VanDerWaalsContact OH-CG2 3.26Å; Y63-T161 WeakPolarHBondContact OH-CG2 3.32Å; Y63-T161 PolarHBondContact OH-OG1 3.32Å; Y63-I164 HydrophobicContact CD1-CD1 3.38Å; Y63-I164 HydrophobicContact CD2-CD1 3.92Å; Y63-I164 HydrophobicContact CD2-CG2 4.31Å; Y63-I164 HydrophobicContact CE1-CD1 3.46Å; Y63-I164 VanDerWaalsContact CE1-CD1 3.46Å; Y63-I164 HydrophobicContact CE2-CD1 4.01Å; Y63-I164 HydrophobicContact CE2-CG2 3.92Å; Y63-I164 HydrophobicContact CG-CD1 3.62Å |
| 64 | R | 95.6 | Very high | 94.7 | Very high | 21 Ų | 21 | 62.3 Ų | 62.3 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 175.3 | -73.7 | 178.5 | 68 | 86 | 12.4 | 111.7 | N60 S61 L67 N68 V69 T70 Q71 G72 S76 N135 | N60-R64 WeakPolarHBondContact O-CB 3.27Å; N60-R64 WeakPolarHBondContact O-CG 3.23Å; N60-R64 PolarHBondContact O-N 3.33Å; S61-R64 PolarHBondContact O-N 3.42Å; R64-L67 PolarHBondContact O-N 3.43Å; R64-N68 PolarHBondContact O-N 3.38Å; R64-V69 HydrophobicContact CB-CB 4.4Å; R64-V69 HydrophobicContact CG-CB 4.35Å; R64-V69 VanDerWaalsContact CZ-O 3.29Å; R64-V69 PolarHBondContact NE-O 2.89Å; R64-V69 PolarHBondContact NH2-O 3.19Å; R64-V69 PolarHBondContact O-N 2.93Å; R64-T70 PolarHBondContact NH2-O 3.34Å; R64-Q71 PolarHBondContact NH1-O 3.5Å; R64-Q71 PolarHBondContact NH2-O 3.41Å; R64-G72 PolarHBondContact NH1-O 3.43Å; R64-S76 PolarHBondContact NH1-OG 3.33Å; R64-N135 WeakPolarHBondContact CG-OD1 3.44Å |
| 65 | R | 95 | Very high | 94.3 | Very high | 205 Ų | 205 | 59.8 Ų | 59.8 | 77% | 0.774 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -67.2 | -38.2 | 176 | -173.4 | 174.7 | 179 | 175 | 0.6 | 111.9 | S61 L62 Y63 L67 | S61-R65 PolarHBondContact O-N 3.15Å; L62-R65 PolarHBondContact O-N 3.47Å; Y63-R65 VanDerWaalsContact C-N 3.3Å; Y63-R65 PolarHBondContact O-N 3.21Å; R65-L67 VanDerWaalsContact C-N 3.35Å |
| 66 | A | 94 | Very high | 94.1 | Very high | 49 Ų | 49 | 59.7 Ų | 59.7 | 41% | 0.405 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.7 | -32.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L62 Y63 I160 I164 | L62-A66 PolarHBondContact O-N 3.49Å; Y63-A66 PolarHBondContact O-N 2.96Å; Y63-A66 VanDerWaalsContact O-N 3.16Å; A66-I160 HydrophobicContact CB-CG2 3.93Å; A66-I164 HydrophobicContact CB-CD1 4.35Å |
| 67 | L | 93.5 | Very high | 94 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 13.5 | -178.6 | -65.8 | 174.8 | 0 | 0 | 0 | 113.8 | Y63 R64 R65 V69 N135 A139 T144 T145 F156 W157 I160 | Y63-L67 WeakPolarHBondContact O-CB 3.39Å; Y63-L67 PolarHBondContact O-N 3.21Å; R64-L67 PolarHBondContact O-N 3.43Å; R65-L67 VanDerWaalsContact C-N 3.35Å; L67-V69 HydrophobicContact CB-CG2 3.85Å; L67-V69 PolarHBondContact O-N 3.49Å; L67-N135 HydrophobicContact CD1-CB 3.85Å; L67-A139 HydrophobicContact CB-CB 4.19Å; L67-A139 HydrophobicContact CD1-CB 4.26Å; L67-T144 PolarHBondContact O-OG1 3.19Å; L67-T145 VanDerWaalsContact C-OG1 3.3Å; L67-T145 HydrophobicContact CD2-CG2 4.44Å; L67-T145 PolarHBondContact O-OG1 3.37Å; L67-F156 HydrophobicContact CD2-CE1 4.42Å; L67-F156 HydrophobicContact CD2-CZ 4.23Å; L67-W157 HydrophobicContact CD1-CH2 4.17Å; L67-W157 HydrophobicContact CD1-CZ3 4.06Å; L67-W157 HydrophobicContact CD2-CZ3 4.45Å; L67-I160 HydrophobicContact CD2-CD1 3.64Å |
| 68 | N | 93.9 | Very high | 93.9 | Very high | 115 Ų | 115 | 63.7 Ų | 63.7 | 62% | 0.615 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 34.7 | -177.1 | -81.6 | -21.7 | 0 | 0 | 0 | 114.6 | R64 T70 T144 | R64-N68 PolarHBondContact O-N 3.38Å; N68-T70 PolarHBondContact O-N 2.86Å; N68-T144 WeakPolarHBondContact O-CB 3.46Å |
| 69 | V | 93.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 61.7 Ų | 61.7 | 4% | 0.036 | 31% | 0.314 | C | S | . | . | trans | -84.3 | 105.9 | -179.4 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | R64 L67 L138 A139 | R64-V69 HydrophobicContact CB-CB 4.4Å; R64-V69 HydrophobicContact CG-CB 4.35Å; R64-V69 VanDerWaalsContact CZ-O 3.29Å; R64-V69 PolarHBondContact NE-O 2.89Å; R64-V69 PolarHBondContact NH2-O 3.19Å; R64-V69 PolarHBondContact O-N 2.93Å; L67-V69 HydrophobicContact CB-CG2 3.85Å; L67-V69 PolarHBondContact O-N 3.49Å; V69-L138 HydrophobicContact CG1-CB 3.76Å; V69-L138 HydrophobicContact CG1-CD1 4.13Å; V69-L138 HydrophobicContact CG2-CB 4.38Å; V69-A139 HydrophobicContact CG2-CB 4.02Å | ||
| 70 | T | 91.6 | Very high | 93.7 | Very high | 80 Ų | 80 | 61.7 Ų | 61.7 | 49% | 0.491 | 31% | 0.314 | S | S | . | . | trans | -95.3 | -26.6 | 174.9 | 55 | 0 | 0 | 0 | 0 | 113 | R64 N68 | R64-T70 PolarHBondContact NH2-O 3.34Å; N68-T70 PolarHBondContact O-N 2.86Å | ||
| 71 | Q | 92.6 | Very high | 93.7 | Very high | 99 Ų | 99 | 62.9 Ų | 62.9 | 46% | 0.463 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -86 | 162.7 | -176.1 | -44.4 | -48.2 | -8.6 | 0 | 0 | 113.3 | R64 R73 Y142 | R64-Q71 PolarHBondContact NH1-O 3.5Å; R64-Q71 PolarHBondContact NH2-O 3.41Å; Q71-R73 PolarHBondContact O-N 3.38Å; Q71-Y142 HydrophobicContact CB-CD1 4.01Å; Q71-Y142 HydrophobicContact CB-CD2 3.84Å; Q71-Y142 HydrophobicContact CB-CE1 3.92Å; Q71-Y142 HydrophobicContact CB-CE2 3.74Å; Q71-Y142 HydrophobicContact CB-CG 3.97Å; Q71-Y142 HydrophobicContact CG-CD1 4.03Å; Q71-Y142 HydrophobicContact CG-CD2 4.49Å; Q71-Y142 HydrophobicContact CG-CE1 4.27Å; Q71-Y142 HydrophobicContact CG-CG 4.14Å |
| 72 | G | 88 | Confident | 93.8 | Very high | 17 Ų | 17 | 62.3 Ų | 62.3 | 18% | 0.175 | 32% | 0.317 | C | S | . | . | trans | 63 | 39.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R64 T75 S76 | R64-G72 PolarHBondContact NH1-O 3.43Å; G72-T75 VanDerWaalsContact C-OG1 3.31Å; G72-T75 WeakPolarHBondContact CA-OG1 3.28Å; G72-T75 PolarHBondContact O-N 2.96Å; G72-T75 PolarHBondContact O-OG1 3.47Å; G72-S76 PolarHBondContact O-N 3.01Å; G72-S76 PolarHBondContact O-OG 3.07Å | ||
| 73 | R | 89.3 | Confident | 93.8 | Very high | 174 Ų | 174 | 64 Ų | 64 | 66% | 0.657 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -59 | -49.4 | 178.8 | -70.8 | -177.5 | 179.3 | 178.1 | -2.3 | 111.2 | Q71 S76 N77 | Q71-R73 PolarHBondContact O-N 3.38Å; R73-S76 PolarHBondContact O-OG 3.01Å; R73-N77 WeakPolarHBondContact O-CB 3.46Å; R73-N77 PolarHBondContact O-N 3.36Å; R73-N77 PolarHBondContact O-ND2 3.05Å |
| 74 | F | 91.6 | Very high | 93.8 | Very high | 156 Ų | 156 | 64 Ų | 64 | 68% | 0.684 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66.8 | -42.5 | 178.2 | -168.7 | -103.5 | 0 | 0 | 0 | 112 | S76 N77 L78 | F74-S76 VanDerWaalsContact C-N 3.27Å; F74-S76 PolarHBondContact O-N 3Å; F74-N77 PolarHBondContact O-N 3.4Å; F74-L78 HydrophobicContact CE1-CD1 3.71Å; F74-L78 HydrophobicContact CE2-CD1 4.04Å; F74-L78 HydrophobicContact CZ-CD1 3.37Å; F74-L78 VanDerWaalsContact O-CB 3.3Å; F74-L78 WeakPolarHBondContact O-CB 3.33Å; F74-L78 PolarHBondContact O-N 3.39Å |
| 75 | T | 88.9 | Confident | 93.9 | Very high | 85 Ų | 85 | 66.1 Ų | 66.1 | 52% | 0.521 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.4 | -24.7 | -176.5 | 59.8 | 0 | 0 | 0 | 0 | 113.5 | G72 P79 | G72-T75 VanDerWaalsContact C-OG1 3.31Å; G72-T75 WeakPolarHBondContact CA-OG1 3.28Å; G72-T75 PolarHBondContact O-N 2.96Å; G72-T75 PolarHBondContact O-OG1 3.47Å; T75-P79 WeakPolarHBondContact O-CD 3.21Å; T75-P79 WeakPolarHBondContact O-CG 3.5Å |
| 76 | S | 91.9 | Very high | 94 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -93.9 | -43.8 | 170.4 | 51.3 | 0 | 0 | 0 | 0 | 113 | N60 R64 G72 R73 F74 L78 P79 M80 | N60-S76 WeakPolarHBondContact ND2-CB 3.36Å; N60-S76 PolarHBondContact ND2-OG 3.05Å; R64-S76 PolarHBondContact NH1-OG 3.33Å; G72-S76 PolarHBondContact O-N 3.01Å; G72-S76 PolarHBondContact O-OG 3.07Å; R73-S76 PolarHBondContact O-OG 3.01Å; F74-S76 VanDerWaalsContact C-N 3.27Å; F74-S76 PolarHBondContact O-N 3Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.72Å; S76-P79 VanDerWaalsContact O-CD 3.28Å; S76-P79 WeakPolarHBondContact O-CD 3.37Å; S76-P79 WeakPolarHBondContact O-CG 3.47Å; S76-M80 VanDerWaalsContact O-CB 3.32Å; S76-M80 WeakPolarHBondContact O-CB 3.42Å; S76-M80 WeakPolarHBondContact O-CG 3.42Å; S76-M80 PolarHBondContact O-N 2.69Å; S76-M80 VanDerWaalsContact O-N 3.11Å |
| 77 | N | 94.8 | Very high | 94.2 | Very high | 59 Ų | 59 | 60.5 Ų | 60.5 | 32% | 0.316 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.5 | -38.9 | -176.1 | -72.7 | -16.8 | 0 | 0 | 0 | 112.6 | L57 N60 R73 F74 M80 A81 | L57-N77 HydrophobicContact CD2-CB 3.81Å; L57-N77 WeakPolarHBondContact CD2-O 3.32Å; N60-N77 PolarHBondContact ND2-OD1 3.22Å; R73-N77 WeakPolarHBondContact O-CB 3.46Å; R73-N77 PolarHBondContact O-N 3.36Å; R73-N77 PolarHBondContact O-ND2 3.05Å; F74-N77 PolarHBondContact O-N 3.4Å; N77-M80 PolarHBondContact O-N 2.88Å; N77-A81 WeakPolarHBondContact O-CB 3.37Å; N77-A81 PolarHBondContact O-N 3.49Å |
| 78 | L | 96.5 | Very high | 94.3 | Very high | 83 Ų | 83 | 60.5 Ų | 60.5 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.9 | -55.6 | -178.6 | -172.7 | 139.8 | 0 | 0 | 0 | 112.5 | F74 S76 M80 A81 V82 | F74-L78 HydrophobicContact CE1-CD1 3.71Å; F74-L78 HydrophobicContact CE2-CD1 4.04Å; F74-L78 HydrophobicContact CZ-CD1 3.37Å; F74-L78 VanDerWaalsContact O-CB 3.3Å; F74-L78 WeakPolarHBondContact O-CB 3.33Å; F74-L78 PolarHBondContact O-N 3.39Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.72Å; L78-M80 VanDerWaalsContact C-N 3.25Å; L78-M80 PolarHBondContact O-N 3.36Å; L78-A81 PolarHBondContact O-N 3.49Å; L78-V82 HydrophobicContact CD2-CG2 4.46Å; L78-V82 HydrophobicContact CG-CG2 4.36Å; L78-V82 WeakPolarHBondContact O-CB 3.37Å; L78-V82 VanDerWaalsContact O-CG2 3.31Å; L78-V82 WeakPolarHBondContact O-CG2 3.35Å; L78-V82 PolarHBondContact O-N 2.84Å |
| 79 | P | 94.5 | Very high | 94.5 | Very high | 35 Ų | 35 | 56.2 Ų | 56.2 | 23% | 0.227 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.3 | -31.4 | 176 | 24.3 | -33.4 | 0 | 0 | 0 | 112.4 | T75 S76 A81 L83 P84 | T75-P79 WeakPolarHBondContact O-CD 3.21Å; T75-P79 WeakPolarHBondContact O-CG 3.5Å; S76-P79 VanDerWaalsContact O-CD 3.28Å; S76-P79 WeakPolarHBondContact O-CD 3.37Å; S76-P79 WeakPolarHBondContact O-CG 3.47Å; P79-A81 VanDerWaalsContact C-N 3.3Å; P79-A81 PolarHBondContact O-N 3.44Å; P79-L83 HydrophobicContact CB-CD1 4.06Å; P79-L83 HydrophobicContact CB-CG 4.46Å; P79-L83 VanDerWaalsContact O-CB 3.28Å; P79-L83 WeakPolarHBondContact O-CB 3.36Å; P79-L83 WeakPolarHBondContact O-CG 3.32Å; P79-L83 PolarHBondContact O-N 2.99Å; P79-P84 WeakPolarHBondContact O-CD 3.38Å |
| 80 | M | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -73.7 | -18.6 | 178.5 | -65.2 | -50.9 | 85.7 | 0 | 0 | 113.7 | G56 N60 S76 N77 L78 P84 L130 A131 V134 | G56-M80 WeakPolarHBondContact CA-O 3.48Å; N60-M80 HydrophobicContact CB-CB 4.06Å; N60-M80 HydrophobicContact CB-CG 3.84Å; S76-M80 VanDerWaalsContact O-CB 3.32Å; S76-M80 WeakPolarHBondContact O-CB 3.42Å; S76-M80 WeakPolarHBondContact O-CG 3.42Å; S76-M80 PolarHBondContact O-N 2.69Å; S76-M80 VanDerWaalsContact O-N 3.11Å; N77-M80 PolarHBondContact O-N 2.88Å; L78-M80 VanDerWaalsContact C-N 3.25Å; L78-M80 PolarHBondContact O-N 3.36Å; M80-P84 VanDerWaalsContact O-CD 3.22Å; M80-P84 WeakPolarHBondContact O-CD 3.33Å; M80-P84 WeakPolarHBondContact O-CG 3.32Å; M80-L130 HydrophobicContact CE-CD1 4.27Å; M80-L130 HydrophobicContact CE-CD2 3.33Å; M80-L130 HydrophobicContact CE-CG 3.45Å; M80-L130 VanDerWaalsContact CE-CG 3.45Å; M80-L130 HydrophobicContact SD-CB 4.32Å; M80-L130 HydrophobicContact SD-CD2 3.86Å; M80-L130 HydrophobicContact SD-CG 3.76Å; M80-A131 HydrophobicContact SD-CB 4.25Å; M80-V134 HydrophobicContact CE-CB 4.47Å; M80-V134 HydrophobicContact CE-CG2 3.68Å; M80-V134 HydrophobicContact SD-CB 4.42Å; M80-V134 HydrophobicContact SD-CG2 4.15Å |
| 81 | A | 96.9 | Very high | 94.9 | Very high | 24 Ų | 24 | 57.9 Ų | 57.9 | 20% | 0.198 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -87.7 | -51.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A53 L57 N77 L78 P79 F85 | A53-A81 HydrophobicContact CB-CB 4.32Å; A53-A81 WeakPolarHBondContact CB-O 3.36Å; L57-A81 HydrophobicContact CD1-CB 4.39Å; L57-A81 HydrophobicContact CD2-CB 4.11Å; L57-A81 HydrophobicContact CG-CB 4.19Å; N77-A81 WeakPolarHBondContact O-CB 3.37Å; N77-A81 PolarHBondContact O-N 3.49Å; L78-A81 PolarHBondContact O-N 3.49Å; P79-A81 VanDerWaalsContact C-N 3.3Å; P79-A81 PolarHBondContact O-N 3.44Å; A81-F85 VanDerWaalsContact O-CB 3.25Å; A81-F85 WeakPolarHBondContact O-CB 3.37Å; A81-F85 PolarHBondContact O-N 3.46Å |
| 82 | V | 97.5 | Very high | 95 | Very high | 65 Ų | 65 | 53.1 Ų | 53.1 | 39% | 0.394 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -70.6 | -45 | -169.1 | 175.8 | 0 | 0 | 0 | 0 | 112.2 | L78 F85 L86 | L78-V82 HydrophobicContact CD2-CG2 4.46Å; L78-V82 HydrophobicContact CG-CG2 4.36Å; L78-V82 WeakPolarHBondContact O-CB 3.37Å; L78-V82 VanDerWaalsContact O-CG2 3.31Å; L78-V82 WeakPolarHBondContact O-CG2 3.35Å; L78-V82 PolarHBondContact O-N 2.84Å; V82-F85 WeakPolarHBondContact O-CB 3.42Å; V82-F85 PolarHBondContact O-N 2.84Å; V82-L86 HydrophobicContact CG1-CD1 3.77Å; V82-L86 HydrophobicContact CG1-CG 4.29Å; V82-L86 WeakPolarHBondContact O-CG 3.5Å; V82-L86 PolarHBondContact O-N 3.34Å |
| 83 | L | 97.3 | Very high | 95.4 | Very high | 71 Ų | 71 | 54.9 Ų | 54.9 | 37% | 0.372 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.6 | -50.5 | -176.3 | -62.1 | 173.5 | 0 | 0 | 0 | 111.4 | P79 F85 L86 T87 L130 | P79-L83 HydrophobicContact CB-CD1 4.06Å; P79-L83 HydrophobicContact CB-CG 4.46Å; P79-L83 VanDerWaalsContact O-CB 3.28Å; P79-L83 WeakPolarHBondContact O-CB 3.36Å; P79-L83 WeakPolarHBondContact O-CG 3.32Å; P79-L83 PolarHBondContact O-N 2.99Å; L83-F85 VanDerWaalsContact C-N 3.28Å; L83-F85 PolarHBondContact O-N 3.33Å; L83-L86 PolarHBondContact O-N 3.39Å; L83-T87 VanDerWaalsContact O-CB 3.27Å; L83-T87 WeakPolarHBondContact O-CB 3.26Å; L83-T87 PolarHBondContact O-N 3.13Å; L83-T87 PolarHBondContact O-OG1 2.92Å; L83-L130 HydrophobicContact CB-CD2 3.87Å; L83-L130 HydrophobicContact CD1-CD1 4.44Å; L83-L130 HydrophobicContact CD1-CD2 4.09Å |
| 84 | P | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.2 | -35.8 | 175.6 | -27.5 | 40.3 | 0 | 0 | 0 | 113.5 | G52 P79 M80 T88 Y126 P127 L130 | G52-P84 VanDerWaalsContact O-CB 3.31Å; G52-P84 WeakPolarHBondContact O-CB 3.36Å; P79-P84 WeakPolarHBondContact O-CD 3.38Å; M80-P84 VanDerWaalsContact O-CD 3.22Å; M80-P84 WeakPolarHBondContact O-CD 3.33Å; M80-P84 WeakPolarHBondContact O-CG 3.32Å; P84-T88 WeakPolarHBondContact O-CB 3.31Å; P84-T88 PolarHBondContact O-N 3.4Å; P84-T88 PolarHBondContact O-OG1 3.37Å; P84-Y126 HydrophobicContact CB-CD1 4.25Å; P84-Y126 HydrophobicContact CB-CE1 4.33Å; P84-Y126 HydrophobicContact CG-CD1 4.28Å; P84-Y126 HydrophobicContact CG-CE1 4.11Å; P84-P127 HydrophobicContact CB-CB 4.27Å; P84-P127 HydrophobicContact CB-CG 4.28Å; P84-P127 HydrophobicContact CG-CB 4.02Å; P84-L130 HydrophobicContact CG-CD2 4.03Å |
| 85 | F | 97.6 | Very high | 95.7 | Very high | 65 Ų | 65 | 45.1 Ų | 45.1 | 29% | 0.285 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.4 | -60.3 | 173.2 | 176.3 | -94.2 | 0 | 0 | 0 | 111.6 | G49 A53 A81 V82 L83 T87 T88 V89 | G49-F85 WeakPolarHBondContact O-CA 3.41Å; G49-F85 WeakPolarHBondContact O-CD2 2.96Å; A53-F85 HydrophobicContact CB-CB 4.09Å; A81-F85 VanDerWaalsContact O-CB 3.25Å; A81-F85 WeakPolarHBondContact O-CB 3.37Å; A81-F85 PolarHBondContact O-N 3.46Å; V82-F85 WeakPolarHBondContact O-CB 3.42Å; V82-F85 PolarHBondContact O-N 2.84Å; L83-F85 VanDerWaalsContact C-N 3.28Å; L83-F85 PolarHBondContact O-N 3.33Å; F85-T87 PolarHBondContact O-N 3.06Å; F85-T88 PolarHBondContact O-N 3.49Å; F85-V89 HydrophobicContact CD1-CG2 4.48Å; F85-V89 HydrophobicContact CE1-CG2 4.14Å; F85-V89 HydrophobicContact CE2-CG2 4.27Å; F85-V89 HydrophobicContact CZ-CG2 4.02Å; F85-V89 VanDerWaalsContact O-CG2 3.31Å; F85-V89 WeakPolarHBondContact O-CG2 3.33Å; F85-V89 PolarHBondContact O-N 3.23Å |
| 86 | L | 97.8 | Very high | 95.9 | Very high | 96 Ų | 96 | 41 Ų | 41 | 50% | 0.503 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.9 | -43 | -174.9 | -68.5 | 176.9 | 0 | 0 | 0 | 111.4 | V82 L83 T88 V89 A90 | V82-L86 HydrophobicContact CG1-CD1 3.77Å; V82-L86 HydrophobicContact CG1-CG 4.29Å; V82-L86 WeakPolarHBondContact O-CG 3.5Å; V82-L86 PolarHBondContact O-N 3.34Å; L83-L86 PolarHBondContact O-N 3.39Å; L86-T88 VanDerWaalsContact C-N 3.35Å; L86-T88 PolarHBondContact O-N 2.71Å; L86-V89 PolarHBondContact O-N 3.48Å; L86-A90 VanDerWaalsContact O-CB 3.25Å; L86-A90 WeakPolarHBondContact O-CB 3.37Å; L86-A90 PolarHBondContact O-N 3.41Å |
| 87 | T | 96.9 | Very high | 95.9 | Very high | 41 Ų | 41 | 41.3 Ų | 41.3 | 25% | 0.252 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 178.1 | -60.1 | 0 | 0 | 0 | 0 | 111 | L83 F85 A90 M91 Y126 | L83-T87 VanDerWaalsContact O-CB 3.27Å; L83-T87 WeakPolarHBondContact O-CB 3.26Å; L83-T87 PolarHBondContact O-N 3.13Å; L83-T87 PolarHBondContact O-OG1 2.92Å; F85-T87 PolarHBondContact O-N 3.06Å; T87-A90 PolarHBondContact O-N 3.41Å; T87-M91 HydrophobicContact CG2-CG 4.31Å; T87-M91 HydrophobicContact CG2-SD 3.95Å; T87-M91 VanDerWaalsContact O-CB 3.31Å; T87-M91 WeakPolarHBondContact O-CB 3.48Å; T87-M91 VanDerWaalsContact O-CG 3.26Å; T87-M91 WeakPolarHBondContact O-CG 3.46Å; T87-M91 PolarHBondContact O-N 3.45Å; T87-Y126 HydrophobicContact CG2-CD1 4.19Å; T87-Y126 HydrophobicContact CG2-CE1 4.03Å |
| 88 | T | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 179.4 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | L48 P84 F85 L86 A90 M91 Y92 G122 A123 | L48-T88 HydrophobicContact CB-CG2 4.35Å; L48-T88 HydrophobicContact CD2-CG2 4.08Å; L48-T88 HydrophobicContact CG-CG2 3.73Å; P84-T88 WeakPolarHBondContact O-CB 3.31Å; P84-T88 PolarHBondContact O-N 3.4Å; P84-T88 PolarHBondContact O-OG1 3.37Å; F85-T88 PolarHBondContact O-N 3.49Å; L86-T88 VanDerWaalsContact C-N 3.35Å; L86-T88 PolarHBondContact O-N 2.71Å; T88-A90 VanDerWaalsContact C-N 3.33Å; T88-A90 PolarHBondContact O-N 3.09Å; T88-M91 PolarHBondContact O-N 2.82Å; T88-Y92 WeakPolarHBondContact O-CB 3.38Å; T88-Y92 PolarHBondContact O-N 3.47Å; T88-G122 PolarHBondContact OG1-O 3.22Å; T88-G122 VanDerWaalsContact OG1-O 3.13Å; T88-A123 HydrophobicContact CG2-CB 4.01Å; T88-A123 PolarHBondContact OG1-N 2.83Å |
| 89 | V | 97.3 | Very high | 95.2 | Very high | 25 Ų | 25 | 42 Ų | 42 | 15% | 0.152 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.3 | -46.8 | 176.5 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | P45 F85 L86 Y92 N93 | P45-V89 HydrophobicContact CB-CG1 4.46Å; P45-V89 WeakPolarHBondContact O-CG2 3.39Å; F85-V89 HydrophobicContact CD1-CG2 4.48Å; F85-V89 HydrophobicContact CE1-CG2 4.14Å; F85-V89 HydrophobicContact CE2-CG2 4.27Å; F85-V89 HydrophobicContact CZ-CG2 4.02Å; F85-V89 VanDerWaalsContact O-CG2 3.31Å; F85-V89 WeakPolarHBondContact O-CG2 3.33Å; F85-V89 PolarHBondContact O-N 3.23Å; L86-V89 PolarHBondContact O-N 3.48Å; V89-Y92 PolarHBondContact O-N 3Å; V89-N93 WeakPolarHBondContact O-CB 3.27Å; V89-N93 PolarHBondContact O-N 2.93Å; V89-N93 PolarHBondContact O-ND2 3.08Å; V89-N93 VanDerWaalsContact O-ND2 3.08Å |
| 90 | A | 97 | Very high | 94.8 | Very high | 53 Ų | 53 | 40.3 Ų | 40.3 | 44% | 0.438 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.9 | -47.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L86 T87 T88 Y92 N93 V94 | L86-A90 VanDerWaalsContact O-CB 3.25Å; L86-A90 WeakPolarHBondContact O-CB 3.37Å; L86-A90 PolarHBondContact O-N 3.41Å; T87-A90 PolarHBondContact O-N 3.41Å; T88-A90 VanDerWaalsContact C-N 3.33Å; T88-A90 PolarHBondContact O-N 3.09Å; A90-Y92 PolarHBondContact O-N 3.04Å; A90-N93 PolarHBondContact O-N 3.3Å; A90-V94 WeakPolarHBondContact O-CG2 3.25Å; A90-V94 PolarHBondContact O-N 2.87Å |
| 91 | M | 96.1 | Very high | 94.1 | Very high | 67 Ų | 67 | 43 Ų | 43 | 33% | 0.33 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.2 | -45.7 | 177.1 | -77.8 | -178.1 | 77.5 | 0 | 0 | 111.5 | T87 T88 N93 V94 A95 V118 V121 | T87-M91 HydrophobicContact CG2-CG 4.31Å; T87-M91 HydrophobicContact CG2-SD 3.95Å; T87-M91 VanDerWaalsContact O-CB 3.31Å; T87-M91 WeakPolarHBondContact O-CB 3.48Å; T87-M91 VanDerWaalsContact O-CG 3.26Å; T87-M91 WeakPolarHBondContact O-CG 3.46Å; T87-M91 PolarHBondContact O-N 3.45Å; T88-M91 PolarHBondContact O-N 2.82Å; M91-N93 PolarHBondContact O-N 3.47Å; M91-V94 PolarHBondContact O-N 2.89Å; M91-A95 WeakPolarHBondContact O-CB 3.38Å; M91-A95 PolarHBondContact O-N 3.46Å; M91-V118 HydrophobicContact CB-CG1 4.01Å; M91-V118 HydrophobicContact CB-CG2 4.41Å; M91-V121 HydrophobicContact CE-CB 4.37Å; M91-V121 HydrophobicContact CE-CG1 4.1Å |
| 92 | Y | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 179.5 | -168.4 | -83.2 | 0 | 0 | 0 | 111.3 | P45 L48 T88 V89 A90 V94 A95 V96 S97 V118 L182 S183 H186 | P45-Y92 HydrophobicContact CB-CD1 3.9Å; P45-Y92 HydrophobicContact CB-CG 4.41Å; P45-Y92 HydrophobicContact CG-CD1 3.64Å; P45-Y92 HydrophobicContact CG-CE1 3.95Å; L48-Y92 HydrophobicContact CD2-CD2 3.43Å; L48-Y92 VanDerWaalsContact CD2-CD2 3.43Å; L48-Y92 HydrophobicContact CD2-CE2 4.05Å; L48-Y92 HydrophobicContact CD2-CG 4.19Å; T88-Y92 WeakPolarHBondContact O-CB 3.38Å; T88-Y92 PolarHBondContact O-N 3.47Å; V89-Y92 PolarHBondContact O-N 3Å; A90-Y92 PolarHBondContact O-N 3.04Å; Y92-V94 VanDerWaalsContact C-N 3.35Å; Y92-V94 PolarHBondContact O-N 3.29Å; Y92-A95 PolarHBondContact O-N 2.92Å; Y92-V96 HydrophobicContact CD1-CB 4.25Å; Y92-V96 HydrophobicContact CD2-CB 4.47Å; Y92-V96 HydrophobicContact CD2-CG2 4.25Å; Y92-V96 HydrophobicContact CE1-CB 3.92Å; Y92-V96 HydrophobicContact CE1-CG1 4Å; Y92-V96 HydrophobicContact CE2-CB 4.19Å; Y92-V96 HydrophobicContact CE2-CG1 4.29Å; Y92-V96 HydrophobicContact CE2-CG2 4.08Å; Y92-V96 WeakPolarHBondContact O-CA 3.39Å; Y92-V96 WeakPolarHBondContact O-CB 3.14Å; Y92-V96 PolarHBondContact O-N 2.9Å; Y92-S97 WeakPolarHBondContact CD1-OG 3.45Å; Y92-S97 WeakPolarHBondContact CE1-OG 3.43Å; Y92-S97 PolarHBondContact O-N 3.4Å; Y92-V118 HydrophobicContact CD2-CB 4.45Å; Y92-V118 HydrophobicContact CD2-CG1 4.06Å; Y92-V118 HydrophobicContact CG-CG1 4.45Å; Y92-L182 HydrophobicContact CD2-CD2 4.27Å; Y92-L182 HydrophobicContact CE1-CD2 4.14Å; Y92-L182 HydrophobicContact CE2-CD2 3.68Å; Y92-L182 HydrophobicContact CE2-CG 4.14Å; Y92-L182 WeakPolarHBondContact OH-CG 3.46Å; Y92-S183 WeakPolarHBondContact OH-CA 3.28Å; Y92-S183 PolarHBondContact OH-N 3.47Å; Y92-H186 AromaticContact CE1-CE1 3.46Å; Y92-H186 VanDerWaalsContact CE1-CE1 3.46Å; Y92-H186 WeakPolarHBondContact CE1-CE1 3.36Å; Y92-H186 AromaticContact CE1-ND1 3.38Å; Y92-H186 WeakPolarHBondContact CE1-ND1 3.15Å; Y92-H186 AromaticContact CZ-CE1 3.93Å; Y92-H186 AromaticContact CZ-ND1 3.66Å; Y92-H186 PolarHBondContact OH-ND1 3.14Å |
| 93 | N | 94.6 | Very high | 92.4 | Very high | 53 Ų | 53 | 42.7 Ų | 42.7 | 28% | 0.283 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -63.3 | -39.5 | 179.3 | -78 | -38.9 | 0 | 0 | 0 | 112.9 | V89 A90 M91 S97 K98 | V89-N93 WeakPolarHBondContact O-CB 3.27Å; V89-N93 PolarHBondContact O-N 2.93Å; V89-N93 PolarHBondContact O-ND2 3.08Å; V89-N93 VanDerWaalsContact O-ND2 3.08Å; A90-N93 PolarHBondContact O-N 3.3Å; M91-N93 PolarHBondContact O-N 3.47Å; N93-S97 PolarHBondContact OD1-OG 2.7Å; N93-S97 VanDerWaalsContact OD1-OG 3.07Å; N93-K98 WeakPolarHBondContact O-CB 3.42Å; N93-K98 VanDerWaalsContact O-CG 3.32Å; N93-K98 WeakPolarHBondContact O-CG 3.47Å; N93-K98 PolarHBondContact O-N 2.84Å |
| 94 | V | 94.4 | Very high | 91.5 | Very high | 96 Ų | 96 | 44.9 Ų | 44.9 | 58% | 0.582 | 26% | 0.256 | S | S | * | . | I | π-helix | trans | -77 | -38 | -179.3 | 173.5 | 0 | 0 | 0 | 0 | 112.1 | A90 M91 Y92 P99 | A90-V94 WeakPolarHBondContact O-CG2 3.25Å; A90-V94 PolarHBondContact O-N 2.87Å; M91-V94 PolarHBondContact O-N 2.89Å; Y92-V94 VanDerWaalsContact C-N 3.35Å; Y92-V94 PolarHBondContact O-N 3.29Å; V94-P99 VanDerWaalsContact O-CD 3.27Å; V94-P99 WeakPolarHBondContact O-CD 3.42Å; V94-P99 VanDerWaalsContact O-CG 3.31Å; V94-P99 WeakPolarHBondContact O-CG 3.37Å |
| 95 | A | 94.1 | Very high | 90.7 | Very high | 29 Ų | 29 | 45 Ų | 45 | 24% | 0.24 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -87.2 | -30.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | M91 Y92 R114 V118 | M91-A95 WeakPolarHBondContact O-CB 3.38Å; M91-A95 PolarHBondContact O-N 3.46Å; Y92-A95 PolarHBondContact O-N 2.92Å; A95-R114 WeakPolarHBondContact O-CD 3.31Å; A95-R114 PolarHBondContact O-NH1 3.33Å; A95-V118 HydrophobicContact CB-CG2 3.84Å |
| 96 | V | 93.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -119.9 | -65.5 | -172.1 | -174.1 | 0 | 0 | 0 | 0 | 111.5 | Y92 K98 P99 L100 V111 R114 | Y92-V96 HydrophobicContact CD1-CB 4.25Å; Y92-V96 HydrophobicContact CD2-CB 4.47Å; Y92-V96 HydrophobicContact CD2-CG2 4.25Å; Y92-V96 HydrophobicContact CE1-CB 3.92Å; Y92-V96 HydrophobicContact CE1-CG1 4Å; Y92-V96 HydrophobicContact CE2-CB 4.19Å; Y92-V96 HydrophobicContact CE2-CG1 4.29Å; Y92-V96 HydrophobicContact CE2-CG2 4.08Å; Y92-V96 WeakPolarHBondContact O-CA 3.39Å; Y92-V96 WeakPolarHBondContact O-CB 3.14Å; Y92-V96 PolarHBondContact O-N 2.9Å; V96-K98 PolarHBondContact O-N 3.44Å; V96-P99 WeakPolarHBondContact O-CD 3.47Å; V96-L100 WeakPolarHBondContact O-CB 3.2Å; V96-L100 PolarHBondContact O-N 3.46Å; V96-L100 VanDerWaalsContact O-N 3.08Å; V96-V111 HydrophobicContact CG1-CG1 4.18Å; V96-R114 HydrophobicContact CG2-CB 3.98Å |
| 97 | S | 89.9 | Confident | 89.5 | Confident | 6 Ų | 6 | 44.1 Ų | 44.1 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -61.4 | -49 | -168.8 | -44 | 0 | 0 | 0 | 0 | 113.4 | Y92 N93 L101 | Y92-S97 WeakPolarHBondContact CD1-OG 3.45Å; Y92-S97 WeakPolarHBondContact CE1-OG 3.43Å; Y92-S97 PolarHBondContact O-N 3.4Å; N93-S97 PolarHBondContact OD1-OG 2.7Å; N93-S97 VanDerWaalsContact OD1-OG 3.07Å; S97-L101 WeakPolarHBondContact O-CG 3.45Å; S97-L101 PolarHBondContact O-N 3.01Å; S97-L101 VanDerWaalsContact O-N 3.09Å |
| 98 | K | 89 | Confident | 89.2 | Confident | 138 Ų | 138 | 45.3 Ų | 45.3 | 60% | 0.6 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -67.5 | -50.1 | -177.7 | -72.1 | 177.4 | 178.7 | -175.4 | 0 | 112.7 | N93 V96 L100 L101 S102 | N93-K98 WeakPolarHBondContact O-CB 3.42Å; N93-K98 VanDerWaalsContact O-CG 3.32Å; N93-K98 WeakPolarHBondContact O-CG 3.47Å; N93-K98 PolarHBondContact O-N 2.84Å; V96-K98 PolarHBondContact O-N 3.44Å; K98-L100 PolarHBondContact O-N 3.4Å; K98-L101 PolarHBondContact O-N 3.41Å; K98-S102 PolarHBondContact O-N 3.29Å; K98-S102 PolarHBondContact O-OG 2.99Å |
| 99 | P | 87.6 | Confident | 89 | Confident | 17 Ų | 17 | 49.9 Ų | 49.9 | 11% | 0.11 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61 | -31.8 | 177.3 | -26.3 | 36.7 | 0 | 0 | 0 | 113.6 | V94 V96 S102 G103 D104 L105 | V94-P99 VanDerWaalsContact O-CD 3.27Å; V94-P99 WeakPolarHBondContact O-CD 3.42Å; V94-P99 VanDerWaalsContact O-CG 3.31Å; V94-P99 WeakPolarHBondContact O-CG 3.37Å; V96-P99 WeakPolarHBondContact O-CD 3.47Å; P99-S102 WeakPolarHBondContact CA-OG 3.39Å; P99-S102 PolarHBondContact O-OG 3.47Å; P99-G103 PolarHBondContact O-N 3.08Å; P99-D104 PolarHBondContact O-N 3.38Å; P99-L105 HydrophobicContact CB-CB 3.79Å; P99-L105 HydrophobicContact CB-CD2 4.2Å; P99-L105 PolarHBondContact O-N 2.89Å; P99-L105 VanDerWaalsContact O-N 3.1Å |
| 100 | L | 86.3 | Confident | 88.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.1 | -50.6 | 176.6 | -170.4 | 64.3 | 0 | 0 | 0 | 110.8 | F41 V96 K98 S102 G103 L105 V111 H186 F187 Y190 | F41-L100 HydrophobicContact CE2-CD2 4.31Å; V96-L100 WeakPolarHBondContact O-CB 3.2Å; V96-L100 PolarHBondContact O-N 3.46Å; V96-L100 VanDerWaalsContact O-N 3.08Å; K98-L100 PolarHBondContact O-N 3.4Å; L100-S102 VanDerWaalsContact C-N 3.31Å; L100-S102 PolarHBondContact O-N 2.89Å; L100-G103 PolarHBondContact O-N 2.99Å; L100-G103 VanDerWaalsContact O-N 3.08Å; L100-L105 WeakPolarHBondContact CD1-O 3.42Å; L100-V111 HydrophobicContact CD1-CG2 4.11Å; L100-H186 HydrophobicContact CD2-CB 3.84Å; L100-H186 WeakPolarHBondContact CD2-O 3.26Å; L100-F187 HydrophobicContact CD1-CD2 3.94Å; L100-Y190 HydrophobicContact CD1-CD1 3.62Å; L100-Y190 HydrophobicContact CD1-CD2 4.2Å; L100-Y190 HydrophobicContact CD1-CE1 4.17Å; L100-Y190 HydrophobicContact CD1-CG 3.63Å; L100-Y190 HydrophobicContact CD2-CG 4.45Å; L100-Y190 HydrophobicContact CG-CD1 4.28Å; L100-Y190 HydrophobicContact CG-CD2 3.98Å; L100-Y190 HydrophobicContact CG-CG 3.76Å; L100-Y190 WeakPolarHBondContact O-CD2 3.26Å; L100-Y190 WeakPolarHBondContact O-CE2 3.4Å |
| 101 | L | 82.3 | Confident | 88.7 | Confident | 57 Ų | 57 | 48.4 Ų | 48.4 | 30% | 0.298 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.9 | -29.7 | 177.5 | -70.3 | 175.1 | 0 | 0 | 0 | 113.9 | M26 F41 S97 K98 G103 | M26-L101 WeakPolarHBondContact CE-O 3.46Å; F41-L101 HydrophobicContact CE1-CD1 3.66Å; F41-L101 HydrophobicContact CE1-CD2 4.11Å; F41-L101 HydrophobicContact CE1-CG 4.03Å; F41-L101 HydrophobicContact CE2-CD2 4.32Å; F41-L101 HydrophobicContact CZ-CD1 3.73Å; F41-L101 HydrophobicContact CZ-CD2 3.68Å; F41-L101 HydrophobicContact CZ-CG 3.57Å; S97-L101 WeakPolarHBondContact O-CG 3.45Å; S97-L101 PolarHBondContact O-N 3.01Å; S97-L101 VanDerWaalsContact O-N 3.09Å; K98-L101 PolarHBondContact O-N 3.41Å; L101-G103 PolarHBondContact O-N 3.45Å |
| 102 | S | 80.5 | Confident | 88.7 | Confident | 61 Ų | 61 | 48.1 Ų | 48.1 | 43% | 0.427 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -2.6 | 175.8 | 65.5 | 0 | 0 | 0 | 0 | 113.3 | K98 P99 L100 D104 | K98-S102 PolarHBondContact O-N 3.29Å; K98-S102 PolarHBondContact O-OG 2.99Å; P99-S102 WeakPolarHBondContact CA-OG 3.39Å; P99-S102 PolarHBondContact O-OG 3.47Å; L100-S102 VanDerWaalsContact C-N 3.31Å; L100-S102 PolarHBondContact O-N 2.89Å; S102-D104 PolarHBondContact O-N 3.48Å |
| 103 | G | 77.9 | Confident | 88.7 | Confident | 21 Ų | 21 | 52.5 Ų | 52.5 | 22% | 0.216 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 21.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114 | P99 L100 L101 N106 Y190 | P99-G103 PolarHBondContact O-N 3.08Å; L100-G103 PolarHBondContact O-N 2.99Å; L100-G103 VanDerWaalsContact O-N 3.08Å; L101-G103 PolarHBondContact O-N 3.45Å; G103-N106 PolarHBondContact O-ND2 2.9Å; G103-Y190 WeakPolarHBondContact CA-OH 3.3Å |
| 104 | D | 78.6 | Confident | 88.8 | Confident | 117 Ų | 117 | 54.5 Ų | 54.5 | 63% | 0.626 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -86.2 | -17.5 | 175.8 | -167.4 | 48.1 | 0 | 0 | 0 | 111.1 | P99 S102 | P99-D104 PolarHBondContact O-N 3.38Å; S102-D104 PolarHBondContact O-N 3.48Å |
| 105 | L | 79.8 | Confident | 88.9 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | trans | -121.6 | 82.3 | -176.7 | -166.9 | 65.1 | 0 | 0 | 0 | 111.4 | P99 L100 C110 V111 | P99-L105 HydrophobicContact CB-CB 3.79Å; P99-L105 HydrophobicContact CB-CD2 4.2Å; P99-L105 PolarHBondContact O-N 2.89Å; P99-L105 VanDerWaalsContact O-N 3.1Å; L100-L105 WeakPolarHBondContact CD1-O 3.42Å; L105-C110 HydrophobicContact CD1-CB 3.77Å; L105-V111 HydrophobicContact CD2-CB 4.44Å; L105-V111 HydrophobicContact CD2-CG2 3.63Å; L105-V111 HydrophobicContact CG-CG2 3.59Å | ||
| 106 | N | 80.6 | Confident | 89 | Confident | 89 Ų | 89 | 49.4 Ų | 49.4 | 48% | 0.476 | 28% | 0.277 | S | S | . | . | trans | -103.3 | -2.3 | -176.7 | -58.2 | -46.9 | 0 | 0 | 0 | 114.6 | G103 Y190 | G103-N106 PolarHBondContact O-ND2 2.9Å; N106-Y190 WeakPolarHBondContact OD1-CE1 3.34Å; N106-Y190 PolarHBondContact OD1-OH 3.09Å | ||
| 107 | C | 89.8 | Confident | 89.2 | Confident | 54 Ų | 54 | 54.1 Ų | 54.1 | 37% | 0.365 | 30% | 0.302 | S | S | . | . | trans | -91 | 122.7 | 179.7 | 39.8 | 0 | 0 | 0 | 0 | 111.6 | T109 C110 V111 | C107-T109 PolarHBondContact O-N 3.44Å; C107-C110 HydrophobicContact CB-CB 3.97Å; C107-C110 WeakPolarHBondContact CB-SG 3.13Å; C107-C110 WeakPolarHBondContact O-CB 3.26Å; C107-C110 PolarHBondContact O-N 3.14Å; C107-C110 VanDerWaalsContact O-N 3.13Å; C107-C110 WeakPolarHBondContact SG-CB 2.96Å; C107-C110 CovalentContact SG-SG 2.03Å; C107-C110 PolarHBondContact SG-SG 3.02Å; C107-V111 PolarHBondContact O-N 3.4Å; C107-V111 VanDerWaalsContact O-N 3.16Å | ||
| 108 | P | 90.4 | Very high | 89.5 | Confident | 66 Ų | 66 | 54.1 Ų | 54.1 | 43% | 0.429 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.4 | -47.3 | -176.4 | 20.6 | -31.5 | 0 | 0 | 0 | 111.6 | C110 V111 L112 F187 | P108-C110 VanDerWaalsContact C-N 3.28Å; P108-C110 PolarHBondContact O-N 3.3Å; P108-V111 PolarHBondContact O-N 3.41Å; P108-L112 VanDerWaalsContact O-CD1 3.23Å; P108-L112 WeakPolarHBondContact O-CD1 3.45Å; P108-L112 PolarHBondContact O-N 3.2Å; P108-F187 HydrophobicContact CB-CD1 4.18Å; P108-F187 HydrophobicContact CB-CE1 3.69Å; P108-F187 HydrophobicContact CB-CZ 4Å; P108-F187 HydrophobicContact CG-CE1 4.45Å; P108-F187 HydrophobicContact CG-CZ 4.48Å |
| 109 | T | 92.9 | Very high | 89.9 | Confident | 96 Ų | 96 | 47.5 Ų | 47.5 | 59% | 0.589 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.1 | -36.9 | 179.8 | -44.1 | 0 | 0 | 0 | 0 | 112.3 | C107 L112 I113 | C107-T109 PolarHBondContact O-N 3.44Å; T109-L112 PolarHBondContact O-N 2.92Å; T109-I113 HydrophobicContact CG2-CD1 3.84Å; T109-I113 HydrophobicContact CG2-CG1 4.43Å; T109-I113 WeakPolarHBondContact O-CB 3.22Å; T109-I113 VanDerWaalsContact O-CG1 3.23Å; T109-I113 WeakPolarHBondContact O-CG1 3.31Å; T109-I113 PolarHBondContact O-N 3.09Å |
| 110 | C | 93.8 | Very high | 90.3 | Very high | 47 Ų | 47 | 47.6 Ų | 47.6 | 32% | 0.318 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67 | -42.7 | 178.6 | -50.6 | 0 | 0 | 0 | 0 | 111.7 | L105 C107 P108 L112 I113 R114 | L105-C110 HydrophobicContact CD1-CB 3.77Å; C107-C110 HydrophobicContact CB-CB 3.97Å; C107-C110 WeakPolarHBondContact CB-SG 3.13Å; C107-C110 WeakPolarHBondContact O-CB 3.26Å; C107-C110 PolarHBondContact O-N 3.14Å; C107-C110 VanDerWaalsContact O-N 3.13Å; C107-C110 WeakPolarHBondContact SG-CB 2.96Å; C107-C110 CovalentContact SG-SG 2.03Å; C107-C110 PolarHBondContact SG-SG 3.02Å; P108-C110 VanDerWaalsContact C-N 3.28Å; P108-C110 PolarHBondContact O-N 3.3Å; C110-L112 VanDerWaalsContact C-N 3.35Å; C110-I113 PolarHBondContact O-N 2.82Å; C110-R114 WeakPolarHBondContact O-CB 3.29Å; C110-R114 VanDerWaalsContact O-CG 3.26Å; C110-R114 WeakPolarHBondContact O-CG 3.37Å; C110-R114 PolarHBondContact O-N 2.94Å |
| 111 | V | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 177.1 | 176.7 | 0 | 0 | 0 | 0 | 110 | V96 L100 L105 C107 P108 R114 G115 S183 F187 | V96-V111 HydrophobicContact CG1-CG1 4.18Å; L100-V111 HydrophobicContact CD1-CG2 4.11Å; L105-V111 HydrophobicContact CD2-CB 4.44Å; L105-V111 HydrophobicContact CD2-CG2 3.63Å; L105-V111 HydrophobicContact CG-CG2 3.59Å; C107-V111 PolarHBondContact O-N 3.4Å; C107-V111 VanDerWaalsContact O-N 3.16Å; P108-V111 PolarHBondContact O-N 3.41Å; V111-R114 PolarHBondContact O-N 3.1Å; V111-G115 PolarHBondContact O-N 2.83Å; V111-S183 WeakPolarHBondContact CG1-O 3.29Å; V111-S183 WeakPolarHBondContact O-CB 3.41Å; V111-S183 PolarHBondContact O-OG 3Å; V111-F187 HydrophobicContact CB-CD2 4.44Å; V111-F187 HydrophobicContact CG1-CB 4.15Å; V111-F187 HydrophobicContact CG2-CD2 3.84Å; V111-F187 HydrophobicContact CG2-CE2 4.41Å |
| 112 | L | 95.8 | Very high | 91.3 | Very high | 60 Ų | 60 | 48 Ų | 48 | 31% | 0.314 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.6 | -48.6 | 177.7 | -91.4 | 67.7 | 0 | 0 | 0 | 112.2 | P108 T109 C110 R114 G115 A116 T180 S183 | P108-L112 VanDerWaalsContact O-CD1 3.23Å; P108-L112 WeakPolarHBondContact O-CD1 3.45Å; P108-L112 PolarHBondContact O-N 3.2Å; T109-L112 PolarHBondContact O-N 2.92Å; C110-L112 VanDerWaalsContact C-N 3.35Å; L112-R114 PolarHBondContact O-N 2.9Å; L112-G115 PolarHBondContact O-N 3.43Å; L112-A116 VanDerWaalsContact O-CB 3.32Å; L112-A116 WeakPolarHBondContact O-CB 3.4Å; L112-A116 PolarHBondContact O-N 3.07Å; L112-T180 HydrophobicContact CB-CG2 4.25Å; L112-T180 HydrophobicContact CD2-CG2 4.13Å; L112-T180 HydrophobicContact CG-CG2 3.95Å; L112-S183 WeakPolarHBondContact CA-OG 3.27Å |
| 113 | I | 96.7 | Very high | 91.9 | Very high | 93 Ų | 93 | 45.1 Ų | 45.1 | 48% | 0.477 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 178.9 | -69.3 | 169.2 | 0 | 0 | 0 | 110.8 | T109 C110 A116 L117 | T109-I113 HydrophobicContact CG2-CD1 3.84Å; T109-I113 HydrophobicContact CG2-CG1 4.43Å; T109-I113 WeakPolarHBondContact O-CB 3.22Å; T109-I113 VanDerWaalsContact O-CG1 3.23Å; T109-I113 WeakPolarHBondContact O-CG1 3.31Å; T109-I113 PolarHBondContact O-N 3.09Å; C110-I113 PolarHBondContact O-N 2.82Å; I113-A116 PolarHBondContact O-N 3.42Å; I113-L117 HydrophobicContact CG2-CD1 3.84Å; I113-L117 HydrophobicContact CG2-CG 4.3Å; I113-L117 WeakPolarHBondContact O-CB 3.44Å; I113-L117 VanDerWaalsContact O-CG 3.27Å; I113-L117 WeakPolarHBondContact O-CG 3.21Å; I113-L117 PolarHBondContact O-N 3.28Å |
| 114 | R | 96.2 | Very high | 92.7 | Very high | 94 Ų | 94 | 44.1 Ų | 44.1 | 36% | 0.355 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.2 | -43 | 177.4 | -73 | -174.2 | -173.2 | -170.8 | 3.3 | 111.5 | A95 V96 C110 V111 L112 L117 V118 | A95-R114 WeakPolarHBondContact O-CD 3.31Å; A95-R114 PolarHBondContact O-NH1 3.33Å; V96-R114 HydrophobicContact CG2-CB 3.98Å; C110-R114 WeakPolarHBondContact O-CB 3.29Å; C110-R114 VanDerWaalsContact O-CG 3.26Å; C110-R114 WeakPolarHBondContact O-CG 3.37Å; C110-R114 PolarHBondContact O-N 2.94Å; V111-R114 PolarHBondContact O-N 3.1Å; L112-R114 PolarHBondContact O-N 2.9Å; R114-L117 PolarHBondContact O-N 3.45Å; R114-V118 VanDerWaalsContact O-CG2 3.28Å; R114-V118 WeakPolarHBondContact O-CG2 3.21Å; R114-V118 PolarHBondContact O-N 3.21Å |
| 115 | G | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.1 | -47.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V111 L112 L117 V118 G119 G179 | V111-G115 PolarHBondContact O-N 2.83Å; L112-G115 PolarHBondContact O-N 3.43Å; G115-L117 PolarHBondContact O-N 3.48Å; G115-V118 PolarHBondContact O-N 2.87Å; G115-G119 PolarHBondContact O-N 2.86Å; G115-G179 CarbonylContact C-O 3.58Å; G115-G179 CarbonylContact O-C 3.59Å; G115-G179 WeakPolarHBondContact O-CA 3.4Å |
| 116 | A | 97.3 | Very high | 94.3 | Very high | 19 Ų | 19 | 44.3 Ų | 44.3 | 16% | 0.157 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.5 | -46.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L112 I113 G119 A120 V176 T180 | L112-A116 VanDerWaalsContact O-CB 3.32Å; L112-A116 WeakPolarHBondContact O-CB 3.4Å; L112-A116 PolarHBondContact O-N 3.07Å; I113-A116 PolarHBondContact O-N 3.42Å; A116-G119 PolarHBondContact O-N 3.08Å; A116-A120 WeakPolarHBondContact O-CB 3.41Å; A116-A120 PolarHBondContact O-N 3.49Å; A116-V176 HydrophobicContact CB-CG1 4.23Å; A116-T180 WeakPolarHBondContact CB-OG1 3.33Å |
| 117 | L | 97.6 | Very high | 95 | Very high | 99 Ų | 99 | 40 Ų | 40 | 52% | 0.518 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.7 | -41.9 | 178.8 | -77.1 | 171.6 | 0 | 0 | 0 | 112.1 | I113 R114 G115 G119 A120 V121 | I113-L117 HydrophobicContact CG2-CD1 3.84Å; I113-L117 HydrophobicContact CG2-CG 4.3Å; I113-L117 WeakPolarHBondContact O-CB 3.44Å; I113-L117 VanDerWaalsContact O-CG 3.27Å; I113-L117 WeakPolarHBondContact O-CG 3.21Å; I113-L117 PolarHBondContact O-N 3.28Å; R114-L117 PolarHBondContact O-N 3.45Å; G115-L117 PolarHBondContact O-N 3.48Å; L117-G119 VanDerWaalsContact C-N 3.34Å; L117-A120 PolarHBondContact O-N 2.87Å; L117-V121 VanDerWaalsContact O-CB 3.32Å; L117-V121 WeakPolarHBondContact O-CB 3.45Å; L117-V121 WeakPolarHBondContact O-CG2 3.35Å; L117-V121 PolarHBondContact O-N 2.87Å |
| 118 | V | 96.8 | Very high | 95.3 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.03 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.8 | -43.3 | 175.6 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | L48 M91 Y92 A95 R114 G115 G122 A123 | L48-V118 HydrophobicContact CD2-CG1 4.15Å; M91-V118 HydrophobicContact CB-CG1 4.01Å; M91-V118 HydrophobicContact CB-CG2 4.41Å; Y92-V118 HydrophobicContact CD2-CB 4.45Å; Y92-V118 HydrophobicContact CD2-CG1 4.06Å; Y92-V118 HydrophobicContact CG-CG1 4.45Å; A95-V118 HydrophobicContact CB-CG2 3.84Å; R114-V118 VanDerWaalsContact O-CG2 3.28Å; R114-V118 WeakPolarHBondContact O-CG2 3.21Å; R114-V118 PolarHBondContact O-N 3.21Å; G115-V118 PolarHBondContact O-N 2.87Å; V118-G122 WeakPolarHBondContact O-CA 3.39Å; V118-G122 PolarHBondContact O-N 3.18Å; V118-A123 PolarHBondContact O-N 3.46Å |
| 119 | G | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -60.3 | -51 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G115 A116 L117 V121 A123 G124 Q175 | G115-G119 PolarHBondContact O-N 2.86Å; A116-G119 PolarHBondContact O-N 3.08Å; L117-G119 VanDerWaalsContact C-N 3.34Å; G119-V121 PolarHBondContact O-N 3.48Å; G119-A123 CarbonylContact O-C 3.59Å; G119-A123 WeakPolarHBondContact O-CB 3.31Å; G119-A123 PolarHBondContact O-N 3.45Å; G119-G124 PolarHBondContact O-N 3.13Å; G119-G124 VanDerWaalsContact O-N 3.1Å; G119-Q175 VanDerWaalsContact O-CB 3.26Å; G119-Q175 WeakPolarHBondContact O-CB 3.34Å |
| 120 | A | 97.1 | Very high | 95.7 | Very high | 18 Ų | 18 | 37 Ų | 37 | 15% | 0.149 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -58.8 | -51.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A116 L117 G124 V125 V176 | A116-A120 WeakPolarHBondContact O-CB 3.41Å; A116-A120 PolarHBondContact O-N 3.49Å; L117-A120 PolarHBondContact O-N 2.87Å; A120-G124 CarbonylContact O-C 3.55Å; A120-G124 WeakPolarHBondContact O-CA 3.42Å; A120-G124 PolarHBondContact O-N 3.46Å; A120-V125 WeakPolarHBondContact O-CG2 3.25Å; A120-V125 PolarHBondContact O-N 3.3Å; A120-V176 HydrophobicContact CB-CG2 3.67Å |
| 121 | V | 96.2 | Very high | 95.8 | Very high | 67 Ų | 67 | 34.8 Ų | 34.8 | 41% | 0.406 | 18% | 0.182 | S | C | . | . | I | π-helix | trans | -83.7 | -56.2 | -171.4 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | M91 L117 G119 V125 Y126 | M91-V121 HydrophobicContact CE-CB 4.37Å; M91-V121 HydrophobicContact CE-CG1 4.1Å; L117-V121 VanDerWaalsContact O-CB 3.32Å; L117-V121 WeakPolarHBondContact O-CB 3.45Å; L117-V121 WeakPolarHBondContact O-CG2 3.35Å; L117-V121 PolarHBondContact O-N 2.87Å; G119-V121 PolarHBondContact O-N 3.48Å; V121-V125 PolarHBondContact O-N 2.99Å; V121-Y126 WeakPolarHBondContact O-CB 3Å; V121-Y126 PolarHBondContact O-N 2.69Å |
| 122 | G | 93.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -70 | -46.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113 | T88 V118 P127 | T88-G122 PolarHBondContact OG1-O 3.22Å; T88-G122 VanDerWaalsContact OG1-O 3.13Å; V118-G122 WeakPolarHBondContact O-CA 3.39Å; V118-G122 PolarHBondContact O-N 3.18Å; G122-P127 WeakPolarHBondContact O-CD 3.32Å |
| 123 | A | 93.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -95.1 | -16 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | A55 T88 V118 G119 P127 Q175 | A55-A123 WeakPolarHBondContact CB-O 3.28Å; T88-A123 HydrophobicContact CG2-CB 4.01Å; T88-A123 PolarHBondContact OG1-N 2.83Å; V118-A123 PolarHBondContact O-N 3.46Å; G119-A123 CarbonylContact O-C 3.59Å; G119-A123 WeakPolarHBondContact O-CB 3.31Å; G119-A123 PolarHBondContact O-N 3.45Å; A123-P127 WeakPolarHBondContact O-CG 3.37Å; A123-Q175 HydrophobicContact CB-CB 4.17Å; A123-Q175 HydrophobicContact CB-CG 3.79Å |
| 124 | G | 94.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -107.4 | -71.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G119 A120 P127 I128 | G119-G124 PolarHBondContact O-N 3.13Å; G119-G124 VanDerWaalsContact O-N 3.1Å; A120-G124 CarbonylContact O-C 3.55Å; A120-G124 WeakPolarHBondContact O-CA 3.42Å; A120-G124 PolarHBondContact O-N 3.46Å; G124-P127 WeakPolarHBondContact O-CD 3.37Å; G124-P127 WeakPolarHBondContact O-CG 3.28Å; G124-I128 WeakPolarHBondContact O-CG1 3.26Å |
| 125 | V | 96.1 | Very high | 95.6 | Very high | 59 Ų | 59 | 30.5 Ų | 30.5 | 36% | 0.358 | 17% | 0.172 | S | C | . | . | I | π-helix | trans | -73.4 | -44.6 | -171.5 | 175.6 | 0 | 0 | 0 | 0 | 112.1 | A120 V121 I128 L129 I172 | A120-V125 WeakPolarHBondContact O-CG2 3.25Å; A120-V125 PolarHBondContact O-N 3.3Å; V121-V125 PolarHBondContact O-N 2.99Å; V125-I128 WeakPolarHBondContact O-CB 3.48Å; V125-I128 PolarHBondContact O-N 3.32Å; V125-I128 VanDerWaalsContact O-N 3.07Å; V125-L129 HydrophobicContact CG1-CD1 3.91Å; V125-L129 HydrophobicContact CG1-CG 4.15Å; V125-L129 PolarHBondContact O-N 3.32Å; V125-L129 VanDerWaalsContact O-N 3.09Å; V125-I172 HydrophobicContact CG2-CD1 4.36Å |
| 126 | Y | 95.8 | Very high | 95.4 | Very high | 64 Ų | 64 | 31.1 Ų | 31.1 | 25% | 0.251 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -53.7 | -49.6 | -179.7 | 172.7 | -106.7 | 0 | 0 | 0 | 113.1 | P84 T87 V121 I128 L129 L130 | P84-Y126 HydrophobicContact CB-CD1 4.25Å; P84-Y126 HydrophobicContact CB-CE1 4.33Å; P84-Y126 HydrophobicContact CG-CD1 4.28Å; P84-Y126 HydrophobicContact CG-CE1 4.11Å; T87-Y126 HydrophobicContact CG2-CD1 4.19Å; T87-Y126 HydrophobicContact CG2-CE1 4.03Å; V121-Y126 WeakPolarHBondContact O-CB 3Å; V121-Y126 PolarHBondContact O-N 2.69Å; Y126-I128 PolarHBondContact O-N 3.18Å; Y126-L129 PolarHBondContact O-N 3.43Å; Y126-L130 HydrophobicContact CE1-CD2 3.98Å; Y126-L130 VanDerWaalsContact O-CB 3.29Å; Y126-L130 WeakPolarHBondContact O-CB 3.35Å; Y126-L130 PolarHBondContact O-N 3.3Å |
| 127 | P | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.8 | -30.3 | 177.3 | 3.2 | -11.5 | 0 | 0 | 0 | 114.4 | A55 P84 G122 A123 G124 A131 | A55-P127 HydrophobicContact CB-CG 3.96Å; P84-P127 HydrophobicContact CB-CB 4.27Å; P84-P127 HydrophobicContact CB-CG 4.28Å; P84-P127 HydrophobicContact CG-CB 4.02Å; G122-P127 WeakPolarHBondContact O-CD 3.32Å; A123-P127 WeakPolarHBondContact O-CG 3.37Å; G124-P127 WeakPolarHBondContact O-CD 3.37Å; G124-P127 WeakPolarHBondContact O-CG 3.28Å; P127-A131 VanDerWaalsContact O-CB 3.25Å; P127-A131 WeakPolarHBondContact O-CB 3.37Å; P127-A131 PolarHBondContact O-N 3.47Å |
| 128 | I | 96 | Very high | 95 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.6 | -46.3 | 176.4 | -56.7 | 170.6 | 0 | 0 | 0 | 110.6 | A59 Y63 G124 V125 Y126 L130 A131 L132 L165 M168 I172 | A59-I128 HydrophobicContact CB-CG1 4.43Å; Y63-I128 HydrophobicContact CE2-CG2 4.14Å; G124-I128 WeakPolarHBondContact O-CG1 3.26Å; V125-I128 WeakPolarHBondContact O-CB 3.48Å; V125-I128 PolarHBondContact O-N 3.32Å; V125-I128 VanDerWaalsContact O-N 3.07Å; Y126-I128 PolarHBondContact O-N 3.18Å; I128-L130 VanDerWaalsContact C-N 3.29Å; I128-L130 PolarHBondContact O-N 2.86Å; I128-A131 PolarHBondContact O-N 3.46Å; I128-L132 PolarHBondContact O-N 3Å; I128-L165 HydrophobicContact CD1-CD2 3.94Å; I128-L165 HydrophobicContact CG2-CD2 3.94Å; I128-M168 HydrophobicContact CD1-CB 3.53Å; I128-M168 HydrophobicContact CD1-CE 4.15Å; I128-M168 HydrophobicContact CD1-CG 3.89Å; I128-M168 HydrophobicContact CG1-CB 4.24Å; I128-M168 HydrophobicContact CG1-CE 3.87Å; I128-M168 HydrophobicContact CG1-CG 4.03Å; I128-I172 HydrophobicContact CD1-CD1 3.95Å |
| 129 | L | 95.6 | Very high | 94.8 | Very high | 117 Ų | 117 | 28 Ų | 28 | 61% | 0.613 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -64.7 | -36.7 | 178.1 | -67.3 | 179.7 | 0 | 0 | 0 | 111.7 | V125 Y126 P133 | V125-L129 HydrophobicContact CG1-CD1 3.91Å; V125-L129 HydrophobicContact CG1-CG 4.15Å; V125-L129 PolarHBondContact O-N 3.32Å; V125-L129 VanDerWaalsContact O-N 3.09Å; Y126-L129 PolarHBondContact O-N 3.43Å; L129-P133 WeakPolarHBondContact O-CD 3.43Å |
| 130 | L | 95.6 | Very high | 94.7 | Very high | 32 Ų | 32 | 31.5 Ų | 31.5 | 17% | 0.168 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -73.1 | -37.6 | 179 | -174.7 | 68.3 | 0 | 0 | 0 | 112.2 | M80 L83 P84 Y126 I128 L132 P133 V134 | M80-L130 HydrophobicContact CE-CD1 4.27Å; M80-L130 HydrophobicContact CE-CD2 3.33Å; M80-L130 HydrophobicContact CE-CG 3.45Å; M80-L130 VanDerWaalsContact CE-CG 3.45Å; M80-L130 HydrophobicContact SD-CB 4.32Å; M80-L130 HydrophobicContact SD-CD2 3.86Å; M80-L130 HydrophobicContact SD-CG 3.76Å; L83-L130 HydrophobicContact CB-CD2 3.87Å; L83-L130 HydrophobicContact CD1-CD1 4.44Å; L83-L130 HydrophobicContact CD1-CD2 4.09Å; P84-L130 HydrophobicContact CG-CD2 4.03Å; Y126-L130 HydrophobicContact CE1-CD2 3.98Å; Y126-L130 VanDerWaalsContact O-CB 3.29Å; Y126-L130 WeakPolarHBondContact O-CB 3.35Å; Y126-L130 PolarHBondContact O-N 3.3Å; I128-L130 VanDerWaalsContact C-N 3.29Å; I128-L130 PolarHBondContact O-N 2.86Å; L130-L132 VanDerWaalsContact C-N 3.29Å; L130-L132 PolarHBondContact O-N 2.78Å; L130-P133 VanDerWaalsContact O-CD 3.31Å; L130-P133 WeakPolarHBondContact O-CD 3.3Å; L130-P133 WeakPolarHBondContact O-CG 3.15Å; L130-V134 WeakPolarHBondContact O-CG2 3.46Å |
| 131 | A | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.8 | -28.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A59 Y63 M80 P127 I128 N135 | A59-A131 HydrophobicContact CB-CB 4.01Å; Y63-A131 HydrophobicContact CD2-CB 3.55Å; Y63-A131 HydrophobicContact CE2-CB 3.96Å; Y63-A131 HydrophobicContact CG-CB 4.47Å; M80-A131 HydrophobicContact SD-CB 4.25Å; P127-A131 VanDerWaalsContact O-CB 3.25Å; P127-A131 WeakPolarHBondContact O-CB 3.37Å; P127-A131 PolarHBondContact O-N 3.47Å; I128-A131 PolarHBondContact O-N 3.46Å; A131-N135 WeakPolarHBondContact O-CB 3.5Å; A131-N135 PolarHBondContact O-N 3.06Å; A131-N135 PolarHBondContact O-ND2 3.11Å |
| 132 | L | 94.7 | Very high | 94.3 | Very high | 45 Ų | 45 | 40.6 Ų | 40.6 | 24% | 0.236 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.8 | -60.1 | -179.4 | -174.2 | 144.4 | 0 | 0 | 0 | 113.1 | Y63 I128 L130 V134 N135 A136 W157 T161 | Y63-L132 HydrophobicContact CE1-CB 4.2Å; Y63-L132 HydrophobicContact CE1-CD1 4.12Å; Y63-L132 HydrophobicContact CE1-CG 4.29Å; I128-L132 PolarHBondContact O-N 3Å; L130-L132 VanDerWaalsContact C-N 3.29Å; L130-L132 PolarHBondContact O-N 2.78Å; L132-V134 VanDerWaalsContact C-N 3.32Å; L132-V134 PolarHBondContact O-N 3.26Å; L132-N135 PolarHBondContact O-N 2.94Å; L132-A136 VanDerWaalsContact O-CB 3.27Å; L132-A136 WeakPolarHBondContact O-CB 3.46Å; L132-A136 PolarHBondContact O-N 2.84Å; L132-W157 HydrophobicContact CD1-CE3 3.95Å; L132-W157 HydrophobicContact CD2-CD2 4.33Å; L132-W157 HydrophobicContact CD2-CE3 4.14Å; L132-W157 HydrophobicContact CG-CE3 3.87Å; L132-W157 HydrophobicContact CG-CZ3 4.19Å; L132-T161 VanDerWaalsContact CD1-OG1 3.3Å; L132-T161 WeakPolarHBondContact CD1-OG1 3.22Å |
| 133 | P | 93.8 | Very high | 94.2 | Very high | 73 Ų | 73 | 47.6 Ų | 47.6 | 47% | 0.474 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.1 | -33.7 | 179.7 | 26 | -34.5 | 0 | 0 | 0 | 112.6 | L129 L130 A136 G137 | L129-P133 WeakPolarHBondContact O-CD 3.43Å; L130-P133 VanDerWaalsContact O-CD 3.31Å; L130-P133 WeakPolarHBondContact O-CD 3.3Å; L130-P133 WeakPolarHBondContact O-CG 3.15Å; P133-A136 PolarHBondContact O-N 2.96Å; P133-G137 PolarHBondContact O-N 2.92Å |
| 134 | V | 94.9 | Very high | 94.1 | Very high | 38 Ų | 38 | 49.3 Ų | 49.3 | 23% | 0.23 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 177.4 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | M80 L130 L132 L138 | M80-V134 HydrophobicContact CE-CB 4.47Å; M80-V134 HydrophobicContact CE-CG2 3.68Å; M80-V134 HydrophobicContact SD-CB 4.42Å; M80-V134 HydrophobicContact SD-CG2 4.15Å; L130-V134 WeakPolarHBondContact O-CG2 3.46Å; L132-V134 VanDerWaalsContact C-N 3.32Å; L132-V134 PolarHBondContact O-N 3.26Å; V134-L138 HydrophobicContact CG1-CD1 4.5Å; V134-L138 WeakPolarHBondContact O-CG 3.26Å; V134-L138 PolarHBondContact O-N 2.98Å; V134-L138 VanDerWaalsContact O-N 3.14Å |
| 135 | N | 94.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -77.5 | -30.4 | -179.5 | -71.3 | -70 | 0 | 0 | 0 | 112.6 | N60 Y63 R64 L67 A131 L132 L138 A139 | N60-N135 PolarHBondContact OD1-ND2 2.63Å; N60-N135 PolarHBondContact OD1-OD1 3.47Å; Y63-N135 WeakPolarHBondContact CB-ND2 3.38Å; R64-N135 WeakPolarHBondContact CG-OD1 3.44Å; L67-N135 HydrophobicContact CD1-CB 3.85Å; A131-N135 WeakPolarHBondContact O-CB 3.5Å; A131-N135 PolarHBondContact O-N 3.06Å; A131-N135 PolarHBondContact O-ND2 3.11Å; L132-N135 PolarHBondContact O-N 2.94Å; N135-L138 PolarHBondContact O-N 2.99Å; N135-A139 WeakPolarHBondContact O-CB 3.49Å; N135-A139 PolarHBondContact O-N 3.49Å |
| 136 | A | 92.7 | Very high | 93.2 | Very high | 14 Ų | 14 | 53.4 Ų | 53.4 | 12% | 0.116 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.4 | -47 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L132 P133 L138 A139 T140 W157 | L132-A136 VanDerWaalsContact O-CB 3.27Å; L132-A136 WeakPolarHBondContact O-CB 3.46Å; L132-A136 PolarHBondContact O-N 2.84Å; P133-A136 PolarHBondContact O-N 2.96Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3.37Å; A136-A139 PolarHBondContact O-N 3.08Å; A136-T140 PolarHBondContact O-N 3.36Å; A136-T140 PolarHBondContact O-OG1 3.49Å; A136-W157 HydrophobicContact CB-CH2 3.22Å; A136-W157 HydrophobicContact CB-CZ2 3.57Å; A136-W157 HydrophobicContact CB-CZ3 4.1Å |
| 137 | G | 93 | Very high | 92.6 | Very high | 39 Ų | 39 | 53.7 Ų | 53.7 | 40% | 0.402 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P133 T140 R141 | P133-G137 PolarHBondContact O-N 2.92Å; G137-T140 PolarHBondContact O-N 2.9Å; G137-R141 VanDerWaalsContact O-CB 3.3Å; G137-R141 WeakPolarHBondContact O-CB 3.33Å; G137-R141 PolarHBondContact O-N 3.31Å |
| 138 | L | 93.5 | Very high | 92 | Very high | 16 Ų | 16 | 55.3 Ų | 55.3 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67 | -42.2 | 175.4 | -70.1 | 173.3 | 0 | 0 | 0 | 112.5 | V69 V134 N135 A136 T140 R141 Y142 | V69-L138 HydrophobicContact CG1-CB 3.76Å; V69-L138 HydrophobicContact CG1-CD1 4.13Å; V69-L138 HydrophobicContact CG2-CB 4.38Å; V134-L138 HydrophobicContact CG1-CD1 4.5Å; V134-L138 WeakPolarHBondContact O-CG 3.26Å; V134-L138 PolarHBondContact O-N 2.98Å; V134-L138 VanDerWaalsContact O-N 3.14Å; N135-L138 PolarHBondContact O-N 2.99Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3.37Å; L138-T140 VanDerWaalsContact C-N 3.28Å; L138-T140 PolarHBondContact O-N 3.25Å; L138-R141 PolarHBondContact O-N 3.02Å; L138-Y142 HydrophobicContact CB-CD2 4.48Å; L138-Y142 HydrophobicContact CD2-CD2 4.21Å; L138-Y142 HydrophobicContact CD2-CE2 3.74Å; L138-Y142 WeakPolarHBondContact O-CD2 3.35Å; L138-Y142 PolarHBondContact O-N 3.42Å |
| 139 | A | 93.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.008 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L67 V69 N135 A136 N143 T144 | L67-A139 HydrophobicContact CB-CB 4.19Å; L67-A139 HydrophobicContact CD1-CB 4.26Å; V69-A139 HydrophobicContact CG2-CB 4.02Å; N135-A139 WeakPolarHBondContact O-CB 3.49Å; N135-A139 PolarHBondContact O-N 3.49Å; A136-A139 PolarHBondContact O-N 3.08Å; A139-N143 WeakPolarHBondContact O-CA 3.47Å; A139-N143 PolarHBondContact O-N 3.46Å; A139-T144 WeakPolarHBondContact CA-OG1 3.41Å; A139-T144 PolarHBondContact O-N 3.42Å; A139-T144 VanDerWaalsContact O-N 3.1Å |
| 140 | T | 92.6 | Very high | 90 | Very high | 74 Ų | 74 | 68.2 Ų | 68.2 | 45% | 0.454 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.8 | -48.9 | 174.3 | -49.4 | 0 | 0 | 0 | 0 | 111.1 | A136 G137 L138 Y142 N143 L147 | A136-T140 PolarHBondContact O-N 3.36Å; A136-T140 PolarHBondContact O-OG1 3.49Å; G137-T140 PolarHBondContact O-N 2.9Å; L138-T140 VanDerWaalsContact C-N 3.28Å; L138-T140 PolarHBondContact O-N 3.25Å; T140-Y142 VanDerWaalsContact C-N 3.32Å; T140-Y142 PolarHBondContact O-N 3.37Å; T140-N143 PolarHBondContact O-N 2.87Å; T140-N143 PolarHBondContact O-OD1 3.42Å; T140-L147 HydrophobicContact CG2-CD1 4.11Å; T140-L147 WeakPolarHBondContact OG1-CD1 3.26Å |
| 141 | R | 93.3 | Very high | 89 | Confident | 184 Ų | 184 | 70.6 Ų | 70.6 | 69% | 0.694 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.9 | -37.3 | -176.7 | -177.4 | 176.6 | -176.8 | 176.8 | 1.9 | 113.1 | G137 L138 | G137-R141 VanDerWaalsContact O-CB 3.3Å; G137-R141 WeakPolarHBondContact O-CB 3.33Å; G137-R141 PolarHBondContact O-N 3.31Å; L138-R141 PolarHBondContact O-N 3.02Å |
| 142 | Y | 93.5 | Very high | 88.5 | Confident | 93 Ų | 93 | 74.7 Ų | 74.7 | 37% | 0.365 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 7.6 | -176.2 | -66 | -68.7 | 0 | 0 | 0 | 113.3 | Q71 L138 T140 T144 | Q71-Y142 HydrophobicContact CB-CD1 4.01Å; Q71-Y142 HydrophobicContact CB-CD2 3.84Å; Q71-Y142 HydrophobicContact CB-CE1 3.92Å; Q71-Y142 HydrophobicContact CB-CE2 3.74Å; Q71-Y142 HydrophobicContact CB-CG 3.97Å; Q71-Y142 HydrophobicContact CG-CD1 4.03Å; Q71-Y142 HydrophobicContact CG-CD2 4.49Å; Q71-Y142 HydrophobicContact CG-CE1 4.27Å; Q71-Y142 HydrophobicContact CG-CG 4.14Å; L138-Y142 HydrophobicContact CB-CD2 4.48Å; L138-Y142 HydrophobicContact CD2-CD2 4.21Å; L138-Y142 HydrophobicContact CD2-CE2 3.74Å; L138-Y142 WeakPolarHBondContact O-CD2 3.35Å; L138-Y142 PolarHBondContact O-N 3.42Å; T140-Y142 VanDerWaalsContact C-N 3.32Å; T140-Y142 PolarHBondContact O-N 3.37Å; Y142-T144 PolarHBondContact O-N 3.01Å |
| 143 | N | 90.7 | Very high | 88.2 | Confident | 146 Ų | 146 | 75.2 Ų | 75.2 | 78% | 0.781 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 41.8 | -178.6 | -67 | -49.7 | 0 | 0 | 0 | 113.6 | A139 T140 | A139-N143 WeakPolarHBondContact O-CA 3.47Å; A139-N143 PolarHBondContact O-N 3.46Å; T140-N143 PolarHBondContact O-N 2.87Å; T140-N143 PolarHBondContact O-OD1 3.42Å |
| 144 | T | 90.9 | Very high | 87.9 | Confident | 36 Ų | 36 | 78.8 Ų | 78.8 | 22% | 0.221 | 43% | 0.431 | C | S | . | . | trans | -83.6 | -17.9 | -172.8 | 62.2 | 0 | 0 | 0 | 0 | 113.7 | L67 N68 A139 Y142 | L67-T144 PolarHBondContact O-OG1 3.19Å; N68-T144 WeakPolarHBondContact O-CB 3.46Å; A139-T144 WeakPolarHBondContact CA-OG1 3.41Å; A139-T144 PolarHBondContact O-N 3.42Å; A139-T144 VanDerWaalsContact O-N 3.1Å; Y142-T144 PolarHBondContact O-N 3.01Å | ||
| 145 | T | 87.9 | Confident | 87.6 | Confident | 28 Ų | 28 | 85 Ų | 85 | 17% | 0.172 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -150.2 | 135.3 | 179.2 | -65.8 | 0 | 0 | 0 | 0 | 109.1 | L67 L147 F156 | L67-T145 VanDerWaalsContact C-OG1 3.3Å; L67-T145 HydrophobicContact CD2-CG2 4.44Å; L67-T145 PolarHBondContact O-OG1 3.37Å; T145-L147 PolarHBondContact O-N 3.45Å; T145-L147 VanDerWaalsContact O-N 3.15Å; T145-F156 HydrophobicContact CG2-CZ 4.26Å |
| 146 | P | 84 | Confident | 87.4 | Confident | 118 Ų | 118 | 87 Ų | 87 | 77% | 0.766 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 116.5 | 174.7 | 26.1 | -33.2 | 0 | 0 | 0 | 109.5 | ||
| 147 | L | 83.1 | Confident | 87.3 | Confident | 70 Ų | 70 | 88.3 Ų | 88.3 | 37% | 0.366 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -79.7 | 144.1 | 177.2 | -73.5 | 140.5 | 0 | 0 | 0 | 109.8 | T140 T145 W157 | T140-L147 HydrophobicContact CG2-CD1 4.11Å; T140-L147 WeakPolarHBondContact OG1-CD1 3.26Å; T145-L147 PolarHBondContact O-N 3.45Å; T145-L147 VanDerWaalsContact O-N 3.15Å; L147-W157 HydrophobicContact CD2-CH2 4.37Å; L147-W157 HydrophobicContact CD2-CZ2 3.91Å |
| 148 | P | 83.8 | Confident | 87.2 | Confident | 33 Ų | 33 | 92.3 Ų | 92.3 | 21% | 0.214 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 141.6 | -177.6 | 27.3 | -37.2 | 0 | 0 | 0 | 112.3 | V153 F156 | P148-V153 HydrophobicContact CB-CG2 4.44Å; P148-V153 HydrophobicContact CG-CB 4.22Å; P148-V153 HydrophobicContact CG-CG1 4.37Å; P148-V153 HydrophobicContact CG-CG2 4.08Å; P148-F156 HydrophobicContact CB-CB 4.14Å; P148-F156 HydrophobicContact CB-CG 4.35Å; P148-F156 HydrophobicContact CG-CB 3.68Å; P148-F156 HydrophobicContact CG-CD1 3.74Å; P148-F156 HydrophobicContact CG-CD2 4.34Å; P148-F156 HydrophobicContact CG-CE1 4.44Å; P148-F156 HydrophobicContact CG-CG 3.68Å |
| 149 | E | 76.8 | Confident | 87.2 | Confident | 177 Ų | 177 | 96.4 Ų | 96.4 | 83% | 0.827 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 162.5 | 167.5 | -76.2 | -175.2 | 136.6 | 0 | 0 | 111.7 | G151 N152 | E149-G151 PolarHBondContact O-N 3.13Å; E149-N152 PolarHBondContact O-N 2.9Å; E149-N152 VanDerWaalsContact O-N 3.09Å |
| 150 | K | 71.2 | Confident | 87.1 | Confident | 216 Ų | 216 | 97.5 Ų | 97.5 | 94% | 0.939 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -8.8 | -162.7 | -66.2 | -179.5 | 178.3 | 175.9 | 0 | 116.9 | ||
| 151 | G | 76.4 | Confident | 87.2 | Confident | 81 Ų | 81 | 95 Ų | 95 | 84% | 0.835 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -22.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | E149 | E149-G151 PolarHBondContact O-N 3.13Š|
| 152 | N | 85.1 | Confident | 87.2 | Confident | 86 Ų | 86 | 92 Ų | 92 | 46% | 0.46 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -123.3 | 15.9 | -169.1 | -150.6 | 29.3 | 0 | 0 | 0 | 114.6 | E149 L154 R155 F156 | E149-N152 PolarHBondContact O-N 2.9Å; E149-N152 VanDerWaalsContact O-N 3.09Å; N152-L154 PolarHBondContact O-N 3.33Å; N152-R155 PolarHBondContact O-N 3.09Å; N152-R155 WeakPolarHBondContact OD1-CB 3.31Å; N152-F156 WeakPolarHBondContact O-CB 3.27Å; N152-F156 PolarHBondContact O-N 2.68Å; N152-F156 VanDerWaalsContact O-N 3.08Å |
| 153 | V | 87.1 | Confident | 87.3 | Confident | 57 Ų | 57 | 90.7 Ų | 90.7 | 35% | 0.345 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -47 | -173.5 | -175.3 | 0 | 0 | 0 | 0 | 112.1 | P148 R155 F156 W157 | P148-V153 HydrophobicContact CB-CG2 4.44Å; P148-V153 HydrophobicContact CG-CB 4.22Å; P148-V153 HydrophobicContact CG-CG1 4.37Å; P148-V153 HydrophobicContact CG-CG2 4.08Å; V153-R155 PolarHBondContact O-N 3.08Å; V153-F156 PolarHBondContact O-N 3.22Å; V153-W157 PolarHBondContact O-N 2.89Å; V153-W157 VanDerWaalsContact O-N 3.08Å |
| 154 | L | 87 | Confident | 87.5 | Confident | 148 Ų | 148 | 84 Ų | 84 | 78% | 0.775 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63.6 | -45.1 | -178.1 | -173.3 | 69.1 | 0 | 0 | 0 | 111.9 | N152 F156 W157 M158 | N152-L154 PolarHBondContact O-N 3.33Å; L154-F156 VanDerWaalsContact C-N 3.34Å; L154-F156 PolarHBondContact O-N 2.88Å; L154-W157 PolarHBondContact O-N 2.72Å; L154-M158 WeakPolarHBondContact O-CB 3.25Å; L154-M158 PolarHBondContact O-N 3.49Å |
| 155 | R | 89.4 | Confident | 87.6 | Confident | 168 Ų | 168 | 86.3 Ų | 86.3 | 63% | 0.634 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.2 | -40.2 | 179.4 | -176.3 | 177.2 | -77.3 | -171.8 | -3.5 | 111.5 | N152 V153 M158 N159 | N152-R155 PolarHBondContact O-N 3.09Å; N152-R155 WeakPolarHBondContact OD1-CB 3.31Å; V153-R155 PolarHBondContact O-N 3.08Å; R155-M158 PolarHBondContact O-N 2.86Å; R155-N159 WeakPolarHBondContact O-CB 3.35Å; R155-N159 PolarHBondContact O-N 3.38Å |
| 156 | F | 90.4 | Very high | 88 | Confident | 43 Ų | 43 | 95.5 Ų | 95.5 | 19% | 0.189 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -59.5 | -51.2 | 174.8 | 174.2 | -96.6 | 0 | 0 | 0 | 111.9 | L67 T145 P148 N152 V153 L154 M158 N159 I160 | L67-F156 HydrophobicContact CD2-CE1 4.42Å; L67-F156 HydrophobicContact CD2-CZ 4.23Å; T145-F156 HydrophobicContact CG2-CZ 4.26Å; P148-F156 HydrophobicContact CB-CB 4.14Å; P148-F156 HydrophobicContact CB-CG 4.35Å; P148-F156 HydrophobicContact CG-CB 3.68Å; P148-F156 HydrophobicContact CG-CD1 3.74Å; P148-F156 HydrophobicContact CG-CD2 4.34Å; P148-F156 HydrophobicContact CG-CE1 4.44Å; P148-F156 HydrophobicContact CG-CG 3.68Å; N152-F156 WeakPolarHBondContact O-CB 3.27Å; N152-F156 PolarHBondContact O-N 2.68Å; N152-F156 VanDerWaalsContact O-N 3.08Å; V153-F156 PolarHBondContact O-N 3.22Å; L154-F156 VanDerWaalsContact C-N 3.34Å; L154-F156 PolarHBondContact O-N 2.88Å; F156-M158 VanDerWaalsContact C-N 3.32Å; F156-M158 PolarHBondContact O-N 3.38Å; F156-N159 PolarHBondContact O-N 3.21Å; F156-I160 HydrophobicContact CD1-CD1 3.98Å; F156-I160 HydrophobicContact CD2-CD1 4.31Å; F156-I160 HydrophobicContact CE1-CD1 3.42Å; F156-I160 VanDerWaalsContact CE1-CD1 3.42Å; F156-I160 HydrophobicContact CE2-CD1 3.79Å; F156-I160 HydrophobicContact CG-CD1 4.41Å; F156-I160 HydrophobicContact CZ-CD1 3.32Å; F156-I160 WeakPolarHBondContact O-CG1 3.04Å; F156-I160 PolarHBondContact O-N 2.89Å; F156-I160 VanDerWaalsContact O-N 3.08Å |
| 157 | W | 90.9 | Very high | 88.5 | Confident | 40 Ų | 40 | 96 Ų | 96 | 15% | 0.152 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 178.6 | -71.4 | 116.7 | 0 | 0 | 0 | 112.4 | L67 L132 A136 L147 V153 L154 I160 T161 | L67-W157 HydrophobicContact CD1-CH2 4.17Å; L67-W157 HydrophobicContact CD1-CZ3 4.06Å; L67-W157 HydrophobicContact CD2-CZ3 4.45Å; L132-W157 HydrophobicContact CD1-CE3 3.95Å; L132-W157 HydrophobicContact CD2-CD2 4.33Å; L132-W157 HydrophobicContact CD2-CE3 4.14Å; L132-W157 HydrophobicContact CG-CE3 3.87Å; L132-W157 HydrophobicContact CG-CZ3 4.19Å; A136-W157 HydrophobicContact CB-CH2 3.22Å; A136-W157 HydrophobicContact CB-CZ2 3.57Å; A136-W157 HydrophobicContact CB-CZ3 4.1Å; L147-W157 HydrophobicContact CD2-CH2 4.37Å; L147-W157 HydrophobicContact CD2-CZ2 3.91Å; V153-W157 PolarHBondContact O-N 2.89Å; V153-W157 VanDerWaalsContact O-N 3.08Å; L154-W157 PolarHBondContact O-N 2.72Å; W157-I160 PolarHBondContact O-N 3.36Å; W157-T161 WeakPolarHBondContact O-CB 3.45Å; W157-T161 PolarHBondContact O-N 3.39Å; W157-T161 PolarHBondContact O-OG1 3.41Å |
| 158 | M | 90.8 | Very high | 89.1 | Confident | 124 Ų | 124 | 92.7 Ų | 92.7 | 61% | 0.611 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.3 | -45.3 | 175.9 | -167.8 | 171.1 | -178.2 | 0 | 0 | 111.5 | L154 R155 F156 I160 T161 Q162 | L154-M158 WeakPolarHBondContact O-CB 3.25Å; L154-M158 PolarHBondContact O-N 3.49Å; R155-M158 PolarHBondContact O-N 2.86Å; F156-M158 VanDerWaalsContact C-N 3.32Å; F156-M158 PolarHBondContact O-N 3.38Å; M158-I160 VanDerWaalsContact C-N 3.3Å; M158-I160 PolarHBondContact O-N 3.44Å; M158-T161 PolarHBondContact O-N 3Å; M158-Q162 VanDerWaalsContact O-CB 3.26Å; M158-Q162 WeakPolarHBondContact O-CB 3.39Å; M158-Q162 PolarHBondContact O-N 3.38Å |
| 159 | N | 92.3 | Very high | 89.6 | Confident | 101 Ų | 101 | 92.4 Ų | 92.4 | 54% | 0.54 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.1 | -35.8 | 177.5 | -74.2 | -10 | 0 | 0 | 0 | 112.8 | R155 F156 P163 | R155-N159 WeakPolarHBondContact O-CB 3.35Å; R155-N159 PolarHBondContact O-N 3.38Å; F156-N159 PolarHBondContact O-N 3.21Å; N159-P163 WeakPolarHBondContact O-CD 3.36Å |
| 160 | I | 92.4 | Very high | 90.5 | Very high | 24 Ų | 24 | 88.8 Ų | 88.8 | 12% | 0.123 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -75 | -41.3 | 176 | -69.4 | 178.1 | 0 | 0 | 0 | 111.3 | Y63 A66 L67 F156 W157 M158 P163 I164 | Y63-I160 HydrophobicContact CD1-CG2 4.05Å; Y63-I160 HydrophobicContact CE1-CG2 4.02Å; A66-I160 HydrophobicContact CB-CG2 3.93Å; L67-I160 HydrophobicContact CD2-CD1 3.64Å; F156-I160 HydrophobicContact CD1-CD1 3.98Å; F156-I160 HydrophobicContact CD2-CD1 4.31Å; F156-I160 HydrophobicContact CE1-CD1 3.42Å; F156-I160 VanDerWaalsContact CE1-CD1 3.42Å; F156-I160 HydrophobicContact CE2-CD1 3.79Å; F156-I160 HydrophobicContact CG-CD1 4.41Å; F156-I160 HydrophobicContact CZ-CD1 3.32Å; F156-I160 WeakPolarHBondContact O-CG1 3.04Å; F156-I160 PolarHBondContact O-N 2.89Å; F156-I160 VanDerWaalsContact O-N 3.08Å; W157-I160 PolarHBondContact O-N 3.36Å; M158-I160 VanDerWaalsContact C-N 3.3Å; M158-I160 PolarHBondContact O-N 3.44Å; I160-P163 WeakPolarHBondContact O-CD 3.28Å; I160-P163 WeakPolarHBondContact O-CG 3.46Å; I160-I164 HydrophobicContact CG2-CD1 4.13Å; I160-I164 WeakPolarHBondContact O-CD1 3.45Å; I160-I164 WeakPolarHBondContact O-CG1 3.29Å |
| 161 | T | 93.6 | Very high | 91.7 | Very high | 21 Ų | 21 | 79.7 Ų | 79.7 | 13% | 0.129 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -77.1 | -35.9 | -172.7 | -57.9 | 0 | 0 | 0 | 0 | 112.2 | Y63 L132 W157 M158 I164 L165 | Y63-T161 VanDerWaalsContact OH-CG2 3.26Å; Y63-T161 WeakPolarHBondContact OH-CG2 3.32Å; Y63-T161 PolarHBondContact OH-OG1 3.32Å; L132-T161 VanDerWaalsContact CD1-OG1 3.3Å; L132-T161 WeakPolarHBondContact CD1-OG1 3.22Å; W157-T161 WeakPolarHBondContact O-CB 3.45Å; W157-T161 PolarHBondContact O-N 3.39Å; W157-T161 PolarHBondContact O-OG1 3.41Å; M158-T161 PolarHBondContact O-N 3Å; T161-I164 CarbonylContact O-C 3.56Å; T161-I164 WeakPolarHBondContact O-CA 3.4Å; T161-I164 WeakPolarHBondContact O-CB 3.12Å; T161-I164 PolarHBondContact O-N 2.92Å; T161-L165 HydrophobicContact CG2-CD1 3.75Å; T161-L165 HydrophobicContact CG2-CG 3.79Å; T161-L165 WeakPolarHBondContact O-CG 3.28Å; T161-L165 PolarHBondContact O-N 2.93Å |
| 162 | Q | 94.3 | Very high | 92.6 | Very high | 121 Ų | 121 | 77.6 Ų | 77.6 | 57% | 0.565 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -53.6 | -51 | -179.2 | -177.8 | 179.1 | -6.5 | 0 | 0 | 114.3 | M158 I164 L165 R166 | M158-Q162 VanDerWaalsContact O-CB 3.26Å; M158-Q162 WeakPolarHBondContact O-CB 3.39Å; M158-Q162 PolarHBondContact O-N 3.38Å; Q162-I164 VanDerWaalsContact C-N 3.27Å; Q162-I164 PolarHBondContact O-N 3.37Å; Q162-L165 PolarHBondContact O-N 3.43Å; Q162-R166 PolarHBondContact O-N 3.04Å; Q162-R166 VanDerWaalsContact O-N 3.07Å |
| 163 | P | 94.4 | Very high | 93.2 | Very high | 66 Ų | 66 | 78.2 Ų | 78.2 | 43% | 0.429 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.6 | -28.6 | 176.9 | 26.8 | -35.5 | 0 | 0 | 0 | 112.6 | N159 I160 K167 | N159-P163 WeakPolarHBondContact O-CD 3.36Å; I160-P163 WeakPolarHBondContact O-CD 3.28Å; I160-P163 WeakPolarHBondContact O-CG 3.46Å; P163-K167 WeakPolarHBondContact O-CG 3.35Å; P163-K167 PolarHBondContact O-N 3.02Å |
| 164 | I | 95.1 | Very high | 93.7 | Very high | 7 Ų | 7 | 79.8 Ų | 79.8 | 4% | 0.036 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -70.6 | -45.4 | 176.6 | -62.8 | 175 | 0 | 0 | 0 | 110 | L62 Y63 A66 I160 T161 Q162 R166 K167 M168 | L62-I164 HydrophobicContact CB-CD1 4.37Å; L62-I164 HydrophobicContact CB-CG1 4.17Å; L62-I164 HydrophobicContact CB-CG2 4.09Å; L62-I164 HydrophobicContact CD1-CG2 4.02Å; Y63-I164 HydrophobicContact CD1-CD1 3.38Å; Y63-I164 HydrophobicContact CD2-CD1 3.92Å; Y63-I164 HydrophobicContact CD2-CG2 4.31Å; Y63-I164 HydrophobicContact CE1-CD1 3.46Å; Y63-I164 VanDerWaalsContact CE1-CD1 3.46Å; Y63-I164 HydrophobicContact CE2-CD1 4.01Å; Y63-I164 HydrophobicContact CE2-CG2 3.92Å; Y63-I164 HydrophobicContact CG-CD1 3.62Å; A66-I164 HydrophobicContact CB-CD1 4.35Å; I160-I164 HydrophobicContact CG2-CD1 4.13Å; I160-I164 WeakPolarHBondContact O-CD1 3.45Å; I160-I164 WeakPolarHBondContact O-CG1 3.29Å; T161-I164 CarbonylContact O-C 3.56Å; T161-I164 WeakPolarHBondContact O-CA 3.4Å; T161-I164 WeakPolarHBondContact O-CB 3.12Å; T161-I164 PolarHBondContact O-N 2.92Å; Q162-I164 VanDerWaalsContact C-N 3.27Å; Q162-I164 PolarHBondContact O-N 3.37Å; I164-R166 VanDerWaalsContact C-N 3.28Å; I164-R166 PolarHBondContact O-N 2.8Å; I164-K167 PolarHBondContact O-N 2.96Å; I164-K167 VanDerWaalsContact O-N 3.15Å; I164-M168 HydrophobicContact CG2-CG 4.18Å; I164-M168 WeakPolarHBondContact O-CB 3.33Å; I164-M168 WeakPolarHBondContact O-CG 3.16Å; I164-M168 PolarHBondContact O-N 3.12Å |
| 165 | L | 94.3 | Very high | 94.1 | Very high | 83 Ų | 83 | 73.3 Ų | 73.3 | 44% | 0.435 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.3 | -41.8 | 173.6 | -74 | 172.8 | 0 | 0 | 0 | 111.4 | I128 T161 Q162 K167 M168 G169 | I128-L165 HydrophobicContact CD1-CD2 3.94Å; I128-L165 HydrophobicContact CG2-CD2 3.94Å; T161-L165 HydrophobicContact CG2-CD1 3.75Å; T161-L165 HydrophobicContact CG2-CG 3.79Å; T161-L165 WeakPolarHBondContact O-CG 3.28Å; T161-L165 PolarHBondContact O-N 2.93Å; Q162-L165 PolarHBondContact O-N 3.43Å; L165-K167 PolarHBondContact O-N 2.98Å; L165-M168 CarbonylContact O-C 3.58Å; L165-M168 PolarHBondContact O-N 2.91Å; L165-G169 PolarHBondContact O-N 3.47Å |
| 166 | R | 95 | Very high | 94.5 | Very high | 222 Ų | 222 | 67.7 Ų | 67.7 | 84% | 0.838 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.2 | -40.9 | 176.9 | -169.3 | 173.7 | -179.9 | 164.8 | 0.4 | 112.4 | Q162 I164 | Q162-R166 PolarHBondContact O-N 3.04Å; Q162-R166 VanDerWaalsContact O-N 3.07Å; I164-R166 VanDerWaalsContact C-N 3.28Å; I164-R166 PolarHBondContact O-N 2.8Å |
| 167 | K | 94.9 | Very high | 94.8 | Very high | 128 Ų | 128 | 72 Ų | 72 | 56% | 0.557 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -70.3 | -40.5 | 176.1 | -70.6 | 175 | -177.8 | -179.4 | 0 | 112.1 | L62 P163 I164 L165 G169 | L62-K167 HydrophobicContact CD1-CB 4.07Å; L62-K167 HydrophobicContact CD1-CD 4.35Å; L62-K167 HydrophobicContact CD2-CD 3.78Å; P163-K167 WeakPolarHBondContact O-CG 3.35Å; P163-K167 PolarHBondContact O-N 3.02Å; I164-K167 PolarHBondContact O-N 2.96Å; I164-K167 VanDerWaalsContact O-N 3.15Å; L165-K167 PolarHBondContact O-N 2.98Å; K167-G169 VanDerWaalsContact C-N 3.26Å; K167-G169 PolarHBondContact O-N 3.41Å |
| 168 | M | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -74.4 | -15.4 | 178.8 | -70.6 | -66.2 | -66.3 | 0 | 0 | 113 | A55 I58 A59 L62 I128 I164 L165 V170 V171 I172 | A55-M168 HydrophobicContact CB-CE 4.25Å; I58-M168 HydrophobicContact CB-SD 4.32Å; I58-M168 HydrophobicContact CG2-SD 3.68Å; A59-M168 HydrophobicContact CB-CE 4.13Å; A59-M168 HydrophobicContact CB-SD 4.37Å; L62-M168 HydrophobicContact CD1-CG 4.09Å; L62-M168 HydrophobicContact CD1-SD 4.16Å; I128-M168 HydrophobicContact CD1-CB 3.53Å; I128-M168 HydrophobicContact CD1-CE 4.15Å; I128-M168 HydrophobicContact CD1-CG 3.89Å; I128-M168 HydrophobicContact CG1-CB 4.24Å; I128-M168 HydrophobicContact CG1-CE 3.87Å; I128-M168 HydrophobicContact CG1-CG 4.03Å; I164-M168 HydrophobicContact CG2-CG 4.18Å; I164-M168 WeakPolarHBondContact O-CB 3.33Å; I164-M168 WeakPolarHBondContact O-CG 3.16Å; I164-M168 PolarHBondContact O-N 3.12Å; L165-M168 CarbonylContact O-C 3.58Å; L165-M168 PolarHBondContact O-N 2.91Å; M168-V170 VanDerWaalsContact C-N 3.26Å; M168-V170 PolarHBondContact O-N 3.32Å; M168-V171 HydrophobicContact CE-CB 4.18Å; M168-V171 HydrophobicContact CE-CG1 4.14Å; M168-V171 HydrophobicContact CE-CG2 4.47Å; M168-V171 CarbonylContact O-C 3.48Å; M168-V171 WeakPolarHBondContact O-CA 3.17Å; M168-V171 WeakPolarHBondContact O-CB 3.34Å; M168-V171 PolarHBondContact O-N 3.45Å; M168-V171 HydrophobicContact SD-CB 4.45Å; M168-V171 HydrophobicContact SD-CG2 4.17Å; M168-I172 WeakPolarHBondContact O-CG1 3.06Å; M168-I172 PolarHBondContact O-N 2.87Å |
| 169 | G | 95.3 | Very high | 95.3 | Very high | 28 Ų | 28 | 68.7 Ų | 68.7 | 29% | 0.289 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -53.5 | -42.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L165 K167 V171 I172 V173 | L165-G169 PolarHBondContact O-N 3.47Å; K167-G169 VanDerWaalsContact C-N 3.26Å; K167-G169 PolarHBondContact O-N 3.41Å; G169-V171 PolarHBondContact O-N 2.98Å; G169-I172 PolarHBondContact O-N 3.19Å; G169-V173 WeakPolarHBondContact O-CG2 3.44Å; G169-V173 PolarHBondContact O-N 3.11Å |
| 170 | V | 95.1 | Very high | 95.5 | Very high | 100 Ų | 100 | 65.8 Ų | 65.8 | 61% | 0.606 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.6 | -42 | 175.4 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | M168 I172 V173 L174 | M168-V170 VanDerWaalsContact C-N 3.26Å; M168-V170 PolarHBondContact O-N 3.32Å; V170-I172 PolarHBondContact O-N 3.33Å; V170-V173 PolarHBondContact O-N 2.9Å; V170-L174 HydrophobicContact CG1-CD1 4.29Å; V170-L174 WeakPolarHBondContact O-CG 3.48Å; V170-L174 PolarHBondContact O-N 3.06Å |
| 171 | V | 95.3 | Very high | 95.7 | Very high | 25 Ų | 25 | 69.5 Ų | 69.5 | 15% | 0.152 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 176.7 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | A55 M168 G169 V173 L174 Q175 | A55-V171 HydrophobicContact CB-CG1 3.88Å; M168-V171 HydrophobicContact CE-CB 4.18Å; M168-V171 HydrophobicContact CE-CG1 4.14Å; M168-V171 HydrophobicContact CE-CG2 4.47Å; M168-V171 CarbonylContact O-C 3.48Å; M168-V171 WeakPolarHBondContact O-CA 3.17Å; M168-V171 WeakPolarHBondContact O-CB 3.34Å; M168-V171 PolarHBondContact O-N 3.45Å; M168-V171 HydrophobicContact SD-CB 4.45Å; M168-V171 HydrophobicContact SD-CG2 4.17Å; G169-V171 PolarHBondContact O-N 2.98Å; V171-V173 PolarHBondContact O-N 3.29Å; V171-L174 WeakPolarHBondContact O-CB 3.31Å; V171-L174 PolarHBondContact O-N 3.07Å; V171-Q175 HydrophobicContact CG1-CG 4.42Å; V171-Q175 WeakPolarHBondContact O-CG 3.33Å; V171-Q175 PolarHBondContact O-N 2.8Å |
| 172 | I | 96.7 | Very high | 95.8 | Very high | 37 Ų | 37 | 69.2 Ų | 69.2 | 19% | 0.19 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 178.9 | -65 | 167.8 | 0 | 0 | 0 | 110.9 | V125 I128 M168 G169 V170 L174 Q175 V176 | V125-I172 HydrophobicContact CG2-CD1 4.36Å; I128-I172 HydrophobicContact CD1-CD1 3.95Å; M168-I172 WeakPolarHBondContact O-CG1 3.06Å; M168-I172 PolarHBondContact O-N 2.87Å; G169-I172 PolarHBondContact O-N 3.19Å; V170-I172 PolarHBondContact O-N 3.33Å; I172-L174 VanDerWaalsContact C-N 3.3Å; I172-L174 PolarHBondContact O-N 3.41Å; I172-Q175 PolarHBondContact O-N 2.93Å; I172-Q175 VanDerWaalsContact O-N 3.13Å; I172-V176 WeakPolarHBondContact O-CG2 3.49Å; I172-V176 PolarHBondContact O-N 3.21Å |
| 173 | V | 97.4 | Very high | 95.8 | Very high | 100 Ų | 100 | 63.5 Ų | 63.5 | 61% | 0.606 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.4 | -42.1 | 177.3 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | G169 V170 V171 V176 F177 | G169-V173 WeakPolarHBondContact O-CG2 3.44Å; G169-V173 PolarHBondContact O-N 3.11Å; V170-V173 PolarHBondContact O-N 2.9Å; V171-V173 PolarHBondContact O-N 3.29Å; V173-V176 WeakPolarHBondContact O-CB 3.44Å; V173-V176 PolarHBondContact O-N 3.4Å; V173-F177 PolarHBondContact O-N 2.84Å |
| 174 | L | 96.2 | Very high | 95.8 | Very high | 90 Ų | 90 | 62 Ų | 62 | 47% | 0.471 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 174.2 | -70.5 | 170.6 | 0 | 0 | 0 | 111.7 | V170 V171 I172 V176 F177 F178 | V170-L174 HydrophobicContact CG1-CD1 4.29Å; V170-L174 WeakPolarHBondContact O-CG 3.48Å; V170-L174 PolarHBondContact O-N 3.06Å; V171-L174 WeakPolarHBondContact O-CB 3.31Å; V171-L174 PolarHBondContact O-N 3.07Å; I172-L174 VanDerWaalsContact C-N 3.3Å; I172-L174 PolarHBondContact O-N 3.41Å; L174-V176 VanDerWaalsContact C-N 3.33Å; L174-V176 PolarHBondContact O-N 3.17Å; L174-F177 WeakPolarHBondContact O-CB 3.42Å; L174-F177 PolarHBondContact O-N 3.32Å; L174-F178 VanDerWaalsContact O-CD2 3.26Å; L174-F178 WeakPolarHBondContact O-CD2 3.47Å; L174-F178 PolarHBondContact O-N 3.25Å |
| 175 | Q | 96.4 | Very high | 95.7 | Very high | 11 Ų | 11 | 66.3 Ų | 66.3 | 5% | 0.051 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 176.9 | -60.4 | -52.7 | -19.4 | 0 | 0 | 112.6 | N51 G119 A123 V171 I172 F177 F178 G179 | N51-Q175 VanDerWaalsContact CB-OE1 3.23Å; N51-Q175 PolarHBondContact O-NE2 3.44Å; G119-Q175 VanDerWaalsContact O-CB 3.26Å; G119-Q175 WeakPolarHBondContact O-CB 3.34Å; A123-Q175 HydrophobicContact CB-CB 4.17Å; A123-Q175 HydrophobicContact CB-CG 3.79Å; V171-Q175 HydrophobicContact CG1-CG 4.42Å; V171-Q175 WeakPolarHBondContact O-CG 3.33Å; V171-Q175 PolarHBondContact O-N 2.8Å; I172-Q175 PolarHBondContact O-N 2.93Å; I172-Q175 VanDerWaalsContact O-N 3.13Å; Q175-F177 VanDerWaalsContact C-N 3.34Å; Q175-F178 PolarHBondContact O-N 3.43Å; Q175-G179 PolarHBondContact O-N 2.83Å |
| 176 | V | 97.6 | Very high | 95.6 | Very high | 51 Ų | 51 | 62.4 Ų | 62.4 | 31% | 0.309 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.4 | -48 | 172.6 | 167.6 | 0 | 0 | 0 | 0 | 110.1 | A116 A120 I172 V173 L174 G179 T180 | A116-V176 HydrophobicContact CB-CG1 4.23Å; A120-V176 HydrophobicContact CB-CG2 3.67Å; I172-V176 WeakPolarHBondContact O-CG2 3.49Å; I172-V176 PolarHBondContact O-N 3.21Å; V173-V176 WeakPolarHBondContact O-CB 3.44Å; V173-V176 PolarHBondContact O-N 3.4Å; L174-V176 VanDerWaalsContact C-N 3.33Å; L174-V176 PolarHBondContact O-N 3.17Å; V176-G179 PolarHBondContact O-N 3.15Å; V176-T180 WeakPolarHBondContact O-CB 3.39Å; V176-T180 PolarHBondContact O-N 3.37Å; V176-T180 PolarHBondContact O-OG1 3.03Å |
| 177 | F | 97.3 | Very high | 95.4 | Very high | 133 Ų | 133 | 52.8 Ų | 52.8 | 58% | 0.583 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -61.4 | -49 | 178.7 | 179.9 | -98 | 0 | 0 | 0 | 111.8 | V173 L174 Q175 G179 T180 Y181 | V173-F177 PolarHBondContact O-N 2.84Å; L174-F177 WeakPolarHBondContact O-CB 3.42Å; L174-F177 PolarHBondContact O-N 3.32Å; Q175-F177 VanDerWaalsContact C-N 3.34Å; F177-G179 PolarHBondContact O-N 2.95Å; F177-T180 PolarHBondContact O-N 3.15Å; F177-Y181 WeakPolarHBondContact O-CB 3.38Å; F177-Y181 PolarHBondContact O-N 3.39Å |
| 178 | F | 95.9 | Very high | 95.2 | Very high | 94 Ų | 94 | 49.9 Ų | 49.9 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 177.6 | -87 | -72.8 | 0 | 0 | 0 | 112.6 | L48 L174 Q175 Y181 L182 | L48-F178 HydrophobicContact CD1-CB 4.21Å; L174-F178 VanDerWaalsContact O-CD2 3.26Å; L174-F178 WeakPolarHBondContact O-CD2 3.47Å; L174-F178 PolarHBondContact O-N 3.25Å; Q175-F178 PolarHBondContact O-N 3.43Å; F178-Y181 PolarHBondContact O-N 2.86Å; F178-L182 VanDerWaalsContact O-CB 3.26Å; F178-L182 WeakPolarHBondContact O-CB 3.37Å; F178-L182 PolarHBondContact O-N 3.27Å |
| 179 | G | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G115 Q175 V176 F177 S183 | G115-G179 CarbonylContact C-O 3.58Å; G115-G179 CarbonylContact O-C 3.59Å; G115-G179 WeakPolarHBondContact O-CA 3.4Å; Q175-G179 PolarHBondContact O-N 2.83Å; V176-G179 PolarHBondContact O-N 3.15Å; F177-G179 PolarHBondContact O-N 2.95Å; G179-S183 WeakPolarHBondContact O-CB 3.41Å; G179-S183 PolarHBondContact O-N 3.49Å; G179-S183 PolarHBondContact O-OG 3.08Å; G179-S183 VanDerWaalsContact O-OG 3.13Å |
| 180 | T | 96.9 | Very high | 94.3 | Very high | 40 Ų | 40 | 49 Ų | 49 | 25% | 0.245 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.8 | -51.4 | 175.5 | -51 | 0 | 0 | 0 | 0 | 110.8 | L112 A116 V176 F177 L182 S183 S184 | L112-T180 HydrophobicContact CB-CG2 4.25Å; L112-T180 HydrophobicContact CD2-CG2 4.13Å; L112-T180 HydrophobicContact CG-CG2 3.95Å; A116-T180 WeakPolarHBondContact CB-OG1 3.33Å; V176-T180 WeakPolarHBondContact O-CB 3.39Å; V176-T180 PolarHBondContact O-N 3.37Å; V176-T180 PolarHBondContact O-OG1 3.03Å; F177-T180 PolarHBondContact O-N 3.15Å; T180-L182 VanDerWaalsContact C-N 3.34Å; T180-L182 PolarHBondContact O-N 3.31Å; T180-S183 PolarHBondContact O-N 2.87Å; T180-S183 PolarHBondContact O-OG 3.4Å; T180-S184 PolarHBondContact O-N 2.91Å |
| 181 | Y | 95.6 | Very high | 94 | Very high | 102 Ų | 102 | 47.8 Ų | 47.8 | 40% | 0.4 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.2 | -43.9 | 179.4 | 173.2 | -102.1 | 0 | 0 | 0 | 112.4 | F177 F178 S183 S184 R185 | F177-Y181 WeakPolarHBondContact O-CB 3.38Å; F177-Y181 PolarHBondContact O-N 3.39Å; F178-Y181 PolarHBondContact O-N 2.86Å; Y181-S183 VanDerWaalsContact C-N 3.33Å; Y181-S183 PolarHBondContact O-N 3.01Å; Y181-S184 PolarHBondContact O-N 3.2Å; Y181-S184 PolarHBondContact O-OG 2.8Å; Y181-R185 HydrophobicContact CE1-CG 4.14Å; Y181-R185 HydrophobicContact CE2-CG 4.11Å; Y181-R185 WeakPolarHBondContact O-CG 3.32Å; Y181-R185 PolarHBondContact O-N 2.96Å; Y181-R185 VanDerWaalsContact O-N 3.09Å; Y181-R185 PolarHBondContact OH-NE 3.47Å; Y181-R185 VanDerWaalsContact OH-NE 3.08Å; Y181-R185 PolarHBondContact OH-NH2 3.45Å |
| 182 | L | 95.2 | Very high | 93.5 | Very high | 16 Ų | 16 | 50.5 Ų | 50.5 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.1 | -43.4 | 178.9 | -178.4 | 64.1 | 0 | 0 | 0 | 111 | I40 G44 L48 Y92 F178 T180 S184 R185 H186 | I40-L182 HydrophobicContact CG2-CD1 4.08Å; G44-L182 VanDerWaalsContact O-CD2 3.29Å; G44-L182 WeakPolarHBondContact O-CD2 3.32Å; L48-L182 HydrophobicContact CB-CD2 4.07Å; L48-L182 HydrophobicContact CD2-CD2 4.37Å; Y92-L182 HydrophobicContact CD2-CD2 4.27Å; Y92-L182 HydrophobicContact CE1-CD2 4.14Å; Y92-L182 HydrophobicContact CE2-CD2 3.68Å; Y92-L182 HydrophobicContact CE2-CG 4.14Å; Y92-L182 WeakPolarHBondContact OH-CG 3.46Å; F178-L182 VanDerWaalsContact O-CB 3.26Å; F178-L182 WeakPolarHBondContact O-CB 3.37Å; F178-L182 PolarHBondContact O-N 3.27Å; T180-L182 VanDerWaalsContact C-N 3.34Å; T180-L182 PolarHBondContact O-N 3.31Å; L182-S184 PolarHBondContact O-N 3.5Å; L182-R185 PolarHBondContact O-N 3.42Å; L182-H186 PolarHBondContact O-CD2 3.4Å; L182-H186 VanDerWaalsContact O-CD2 3.29Å; L182-H186 PolarHBondContact O-N 3.46Å |
| 183 | S | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.8 | -34.6 | 179 | 69.7 | 0 | 0 | 0 | 0 | 113.1 | Y92 V111 L112 G179 T180 Y181 H186 F187 | Y92-S183 WeakPolarHBondContact OH-CA 3.28Å; Y92-S183 PolarHBondContact OH-N 3.47Å; V111-S183 WeakPolarHBondContact CG1-O 3.29Å; V111-S183 WeakPolarHBondContact O-CB 3.41Å; V111-S183 PolarHBondContact O-OG 3Å; L112-S183 WeakPolarHBondContact CA-OG 3.27Å; G179-S183 WeakPolarHBondContact O-CB 3.41Å; G179-S183 PolarHBondContact O-N 3.49Å; G179-S183 PolarHBondContact O-OG 3.08Å; G179-S183 VanDerWaalsContact O-OG 3.13Å; T180-S183 PolarHBondContact O-N 2.87Å; T180-S183 PolarHBondContact O-OG 3.4Å; Y181-S183 VanDerWaalsContact C-N 3.33Å; Y181-S183 PolarHBondContact O-N 3.01Å; S183-H186 PolarHBondContact O-N 3.21Å; S183-F187 PolarHBondContact O-N 2.82Å |
| 184 | S | 94.7 | Very high | 92.2 | Very high | 34 Ų | 34 | 46.9 Ų | 46.9 | 24% | 0.238 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.9 | -43 | 173.9 | 71.8 | 0 | 0 | 0 | 0 | 111 | T180 Y181 L182 H186 F187 D188 | T180-S184 PolarHBondContact O-N 2.91Å; Y181-S184 PolarHBondContact O-N 3.2Å; Y181-S184 PolarHBondContact O-OG 2.8Å; L182-S184 PolarHBondContact O-N 3.5Å; S184-H186 VanDerWaalsContact C-N 3.33Å; S184-H186 PolarHBondContact O-N 3.35Å; S184-F187 WeakPolarHBondContact O-CB 3.4Å; S184-F187 PolarHBondContact O-N 2.77Å; S184-D188 PolarHBondContact O-N 2.91Å |
| 185 | R | 93 | Very high | 91.6 | Very high | 99 Ų | 99 | 49 Ų | 49 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.1 | -40.8 | 174.7 | -69.5 | -59.9 | -169.4 | -175.1 | 2.6 | 112.3 | I40 Y181 L182 F187 D188 S189 | I40-R185 HydrophobicContact CG2-CB 3.95Å; Y181-R185 HydrophobicContact CE1-CG 4.14Å; Y181-R185 HydrophobicContact CE2-CG 4.11Å; Y181-R185 WeakPolarHBondContact O-CG 3.32Å; Y181-R185 PolarHBondContact O-N 2.96Å; Y181-R185 VanDerWaalsContact O-N 3.09Å; Y181-R185 PolarHBondContact OH-NE 3.47Å; Y181-R185 VanDerWaalsContact OH-NE 3.08Å; Y181-R185 PolarHBondContact OH-NH2 3.45Å; L182-R185 PolarHBondContact O-N 3.42Å; R185-F187 VanDerWaalsContact C-N 3.31Å; R185-F187 PolarHBondContact O-N 3.22Å; R185-D188 PolarHBondContact O-N 3.4Å; R185-S189 PolarHBondContact O-N 2.96Å; R185-S189 PolarHBondContact O-OG 3.47Å; R185-S189 VanDerWaalsContact O-OG 3.08Å |
| 186 | H | 91.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 175.8 | -78.9 | -151.4 | 0 | 0 | 0 | 111.5 | I40 F41 Y92 L100 L182 S183 S184 S189 Y190 | I40-H186 PolarHBondContact O-NE2 3.35Å; F41-H186 WeakPolarHBondContact CA-NE2 3.32Å; F41-H186 HydrophobicContact CD2-CB 4.47Å; F41-H186 HydrophobicContact CE2-CB 4.43Å; Y92-H186 AromaticContact CE1-CE1 3.46Å; Y92-H186 VanDerWaalsContact CE1-CE1 3.46Å; Y92-H186 WeakPolarHBondContact CE1-CE1 3.36Å; Y92-H186 AromaticContact CE1-ND1 3.38Å; Y92-H186 WeakPolarHBondContact CE1-ND1 3.15Å; Y92-H186 AromaticContact CZ-CE1 3.93Å; Y92-H186 AromaticContact CZ-ND1 3.66Å; Y92-H186 PolarHBondContact OH-ND1 3.14Å; L100-H186 HydrophobicContact CD2-CB 3.84Å; L100-H186 WeakPolarHBondContact CD2-O 3.26Å; L182-H186 PolarHBondContact O-CD2 3.4Å; L182-H186 VanDerWaalsContact O-CD2 3.29Å; L182-H186 PolarHBondContact O-N 3.46Å; S183-H186 PolarHBondContact O-N 3.21Å; S184-H186 VanDerWaalsContact C-N 3.33Å; S184-H186 PolarHBondContact O-N 3.35Å; H186-S189 PolarHBondContact O-N 3.32Å; H186-Y190 WeakPolarHBondContact O-CB 3.37Å; H186-Y190 PolarHBondContact O-N 2.87Å |
| 187 | F | 91.8 | Very high | 89.9 | Confident | 20 Ų | 20 | 50.2 Ų | 50.2 | 9% | 0.088 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65 | -42.6 | 175.4 | -170.6 | -107.5 | 0 | 0 | 0 | 112.5 | L100 P108 V111 S183 S184 R185 S189 Y190 L191 | L100-F187 HydrophobicContact CD1-CD2 3.94Å; P108-F187 HydrophobicContact CB-CD1 4.18Å; P108-F187 HydrophobicContact CB-CE1 3.69Å; P108-F187 HydrophobicContact CB-CZ 4Å; P108-F187 HydrophobicContact CG-CE1 4.45Å; P108-F187 HydrophobicContact CG-CZ 4.48Å; V111-F187 HydrophobicContact CB-CD2 4.44Å; V111-F187 HydrophobicContact CG1-CB 4.15Å; V111-F187 HydrophobicContact CG2-CD2 3.84Å; V111-F187 HydrophobicContact CG2-CE2 4.41Å; S183-F187 PolarHBondContact O-N 2.82Å; S184-F187 WeakPolarHBondContact O-CB 3.4Å; S184-F187 PolarHBondContact O-N 2.77Å; R185-F187 VanDerWaalsContact C-N 3.31Å; R185-F187 PolarHBondContact O-N 3.22Å; F187-S189 PolarHBondContact O-N 2.93Å; F187-Y190 HydrophobicContact CD2-CD1 4.42Å; F187-Y190 HydrophobicContact CE2-CD1 4.42Å; F187-Y190 WeakPolarHBondContact O-CB 2.96Å; F187-Y190 PolarHBondContact O-N 3.28Å; F187-Y190 VanDerWaalsContact O-N 3.15Å; F187-L191 HydrophobicContact CD1-CD1 4.03Å; F187-L191 HydrophobicContact CD1-CG 4.32Å; F187-L191 HydrophobicContact CE1-CD1 3.62Å; F187-L191 HydrophobicContact CE1-CD2 4.28Å; F187-L191 HydrophobicContact CE1-CG 3.99Å; F187-L191 HydrophobicContact CZ-CD1 4.26Å; F187-L191 HydrophobicContact CZ-CD2 4.08Å; F187-L191 HydrophobicContact CZ-CG 4.24Å; F187-L191 PolarHBondContact O-N 2.87Å |
| 188 | D | 90.6 | Very high | 89 | Confident | 68 Ų | 68 | 47.7 Ų | 47.7 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.8 | -45.1 | 176.1 | -66.8 | -21.4 | 0 | 0 | 0 | 111.5 | S184 R185 Y190 L191 K192 | S184-D188 PolarHBondContact O-N 2.91Å; R185-D188 PolarHBondContact O-N 3.4Å; D188-Y190 VanDerWaalsContact C-N 3.28Å; D188-Y190 PolarHBondContact O-N 3.36Å; D188-L191 PolarHBondContact O-N 3.37Å; D188-K192 WeakPolarHBondContact O-CG 3.45Å; D188-K192 PolarHBondContact O-N 3.43Å |
| 189 | S | 86.7 | Confident | 88 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.2 | -37.7 | 175.1 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | R185 H186 F187 K192 L193 | R185-S189 PolarHBondContact O-N 2.96Å; R185-S189 PolarHBondContact O-OG 3.47Å; R185-S189 VanDerWaalsContact O-OG 3.08Å; H186-S189 PolarHBondContact O-N 3.32Å; F187-S189 PolarHBondContact O-N 2.93Å; S189-K192 PolarHBondContact O-N 3.44Å; S189-L193 WeakPolarHBondContact O-CG 3.18Å; S189-L193 PolarHBondContact O-N 3.29Å |
| 190 | Y | 86.1 | Confident | 86.4 | Confident | 9 Ų | 9 | 48 Ų | 48 | 4% | 0.035 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.9 | -42.6 | 176.1 | 175.5 | -106.4 | 0 | 0 | 0 | 113 | M26 L100 G103 N106 H186 F187 D188 K192 L193 I194 | M26-Y190 HydrophobicContact CE-CE2 3.85Å; M26-Y190 HydrophobicContact SD-CD2 4.36Å; M26-Y190 HydrophobicContact SD-CE2 3.7Å; L100-Y190 HydrophobicContact CD1-CD1 3.62Å; L100-Y190 HydrophobicContact CD1-CD2 4.2Å; L100-Y190 HydrophobicContact CD1-CE1 4.17Å; L100-Y190 HydrophobicContact CD1-CG 3.63Å; L100-Y190 HydrophobicContact CD2-CG 4.45Å; L100-Y190 HydrophobicContact CG-CD1 4.28Å; L100-Y190 HydrophobicContact CG-CD2 3.98Å; L100-Y190 HydrophobicContact CG-CG 3.76Å; L100-Y190 WeakPolarHBondContact O-CD2 3.26Å; L100-Y190 WeakPolarHBondContact O-CE2 3.4Å; G103-Y190 WeakPolarHBondContact CA-OH 3.3Å; N106-Y190 WeakPolarHBondContact OD1-CE1 3.34Å; N106-Y190 PolarHBondContact OD1-OH 3.09Å; H186-Y190 WeakPolarHBondContact O-CB 3.37Å; H186-Y190 PolarHBondContact O-N 2.87Å; F187-Y190 HydrophobicContact CD2-CD1 4.42Å; F187-Y190 HydrophobicContact CE2-CD1 4.42Å; F187-Y190 WeakPolarHBondContact O-CB 2.96Å; F187-Y190 PolarHBondContact O-N 3.28Å; F187-Y190 VanDerWaalsContact O-N 3.15Å; D188-Y190 VanDerWaalsContact C-N 3.28Å; D188-Y190 PolarHBondContact O-N 3.36Å; Y190-K192 VanDerWaalsContact C-N 3.32Å; Y190-K192 PolarHBondContact O-N 2.84Å; Y190-L193 WeakPolarHBondContact O-CB 3.11Å; Y190-L193 PolarHBondContact O-N 3.04Å; Y190-I194 HydrophobicContact CD1-CD1 3.81Å; Y190-I194 HydrophobicContact CE1-CD1 3.2Å; Y190-I194 HydrophobicContact CE1-CG1 4.18Å; Y190-I194 HydrophobicContact CE2-CD1 4.14Å; Y190-I194 HydrophobicContact CE2-CG1 4.26Å; Y190-I194 HydrophobicContact CG-CD1 4.49Å; Y190-I194 PolarHBondContact O-N 3.5Å |
| 191 | L | 87.8 | Confident | 84.7 | Confident | 74 Ų | 74 | 47.7 Ų | 47.7 | 39% | 0.387 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62 | -40.5 | 175.7 | -69.5 | 179.4 | 0 | 0 | 0 | 112.1 | F187 D188 L193 I194 Q195 | F187-L191 HydrophobicContact CD1-CD1 4.03Å; F187-L191 HydrophobicContact CD1-CG 4.32Å; F187-L191 HydrophobicContact CE1-CD1 3.62Å; F187-L191 HydrophobicContact CE1-CD2 4.28Å; F187-L191 HydrophobicContact CE1-CG 3.99Å; F187-L191 HydrophobicContact CZ-CD1 4.26Å; F187-L191 HydrophobicContact CZ-CD2 4.08Å; F187-L191 HydrophobicContact CZ-CG 4.24Å; F187-L191 PolarHBondContact O-N 2.87Å; D188-L191 PolarHBondContact O-N 3.37Å; L191-L193 VanDerWaalsContact C-N 3.32Å; L191-L193 PolarHBondContact O-N 3.36Å; L191-I194 PolarHBondContact O-N 3.03Å; L191-Q195 WeakPolarHBondContact O-CG 3.33Å; L191-Q195 PolarHBondContact O-N 2.88Å |
| 192 | K | 86.3 | Confident | 83 | Confident | 81 Ų | 81 | 48.9 Ų | 48.9 | 35% | 0.352 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 174.5 | -65.7 | 177.3 | -168.4 | 176.6 | 0 | 112 | L33 D37 D188 S189 Y190 Q195 L196 | L33-K192 HydrophobicContact CD2-CB 3.9Å; D37-K192 IonicContact OD1-NZ 3.62Å; D37-K192 WeakPolarHBondContact OD2-CD 3.14Å; D37-K192 IonicContact OD2-NZ 2.7Å; D37-K192 PolarHBondContact OD2-NZ 3.36Å; D188-K192 WeakPolarHBondContact O-CG 3.45Å; D188-K192 PolarHBondContact O-N 3.43Å; S189-K192 PolarHBondContact O-N 3.44Å; Y190-K192 VanDerWaalsContact C-N 3.32Å; Y190-K192 PolarHBondContact O-N 2.84Å; K192-Q195 PolarHBondContact O-N 3.16Å; K192-L196 WeakPolarHBondContact O-CG 3.49Å; K192-L196 PolarHBondContact O-N 3.01Å |
| 193 | L | 83.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 175.3 | -74.5 | 167.6 | 0 | 0 | 0 | 112.3 | N29 F30 L33 S189 Y190 L191 L196 S197 | N29-L193 HydrophobicContact CB-CD2 4.25Å; F30-L193 HydrophobicContact CB-CD2 4.21Å; F30-L193 HydrophobicContact CD2-CD1 4.17Å; F30-L193 HydrophobicContact CD2-CD2 4.46Å; L33-L193 HydrophobicContact CD1-CD1 3.95Å; L33-L193 HydrophobicContact CD1-CD2 3.54Å; L33-L193 HydrophobicContact CD1-CG 3.68Å; L33-L193 HydrophobicContact CD2-CD2 4.08Å; L33-L193 HydrophobicContact CD2-CG 4.09Å; L33-L193 HydrophobicContact CG-CD2 3.56Å; L33-L193 HydrophobicContact CG-CG 3.99Å; S189-L193 WeakPolarHBondContact O-CG 3.18Å; S189-L193 PolarHBondContact O-N 3.29Å; Y190-L193 WeakPolarHBondContact O-CB 3.11Å; Y190-L193 PolarHBondContact O-N 3.04Å; L191-L193 VanDerWaalsContact C-N 3.32Å; L191-L193 PolarHBondContact O-N 3.36Å; L193-L196 PolarHBondContact O-N 2.94Å; L193-S197 WeakPolarHBondContact O-CB 3.3Å; L193-S197 PolarHBondContact O-N 3.05Å; L193-S197 PolarHBondContact O-OG 3.07Å |
| 194 | I | 82.5 | Confident | 79.2 | Confident | 61 Ų | 61 | 60.3 Ų | 60.3 | 31% | 0.313 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.3 | -46.9 | 176.9 | -66.9 | 163.7 | 0 | 0 | 0 | 109.9 | Y190 L191 L196 S197 T198 | Y190-I194 HydrophobicContact CD1-CD1 3.81Å; Y190-I194 HydrophobicContact CE1-CD1 3.2Å; Y190-I194 HydrophobicContact CE1-CG1 4.18Å; Y190-I194 HydrophobicContact CE2-CD1 4.14Å; Y190-I194 HydrophobicContact CE2-CG1 4.26Å; Y190-I194 HydrophobicContact CG-CD1 4.49Å; Y190-I194 PolarHBondContact O-N 3.5Å; L191-I194 PolarHBondContact O-N 3.03Å; I194-L196 PolarHBondContact O-N 2.93Å; I194-S197 WeakPolarHBondContact O-CB 3.38Å; I194-S197 PolarHBondContact O-N 2.88Å; I194-S197 VanDerWaalsContact O-N 3.09Å; I194-T198 PolarHBondContact O-N 3.36Å; I194-T198 PolarHBondContact O-OG1 2.83Å |
| 195 | Q | 83.9 | Confident | 77.1 | Confident | 135 Ų | 135 | 66.6 Ų | 66.6 | 63% | 0.631 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -58.1 | -45.4 | 179.5 | -73.1 | 174.6 | -19.9 | 0 | 0 | 112.4 | L191 K192 S197 T198 S199 | L191-Q195 WeakPolarHBondContact O-CG 3.33Å; L191-Q195 PolarHBondContact O-N 2.88Å; K192-Q195 PolarHBondContact O-N 3.16Å; Q195-S197 VanDerWaalsContact C-N 3.31Å; Q195-S197 PolarHBondContact O-N 2.86Å; Q195-T198 PolarHBondContact O-N 3.1Å; Q195-S199 PolarHBondContact O-N 3.05Å; Q195-S199 VanDerWaalsContact O-N 3.08Å |
| 196 | L | 82.1 | Confident | 74.5 | Confident | 60 Ų | 60 | 71.7 Ų | 71.7 | 31% | 0.314 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 175.5 | -71 | 169.8 | 0 | 0 | 0 | 112.3 | L33 K192 L193 I194 N200 | L33-L196 HydrophobicContact CD2-CD1 4.36Å; K192-L196 WeakPolarHBondContact O-CG 3.49Å; K192-L196 PolarHBondContact O-N 3.01Å; L193-L196 PolarHBondContact O-N 2.94Å; I194-L196 PolarHBondContact O-N 2.93Å; L196-N200 VanDerWaalsContact O-CG 3.27Å; L196-N200 PolarHBondContact O-N 3.4Å; L196-N200 PolarHBondContact O-ND2 3.39Å; L196-N200 VanDerWaalsContact O-ND2 3.09Å |
| 197 | S | 77.1 | Confident | 73.6 | Confident | 28 Ų | 28 | 75.3 Ų | 75.3 | 20% | 0.196 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -68.1 | -39.7 | 178.6 | -55 | 0 | 0 | 0 | 0 | 112.1 | N29 L193 I194 Q195 G201 | N29-S197 VanDerWaalsContact ND2-CA 3.32Å; N29-S197 WeakPolarHBondContact ND2-CA 3.41Å; N29-S197 WeakPolarHBondContact ND2-CB 3.45Å; N29-S197 PolarHBondContact ND2-OG 3.5Å; L193-S197 WeakPolarHBondContact O-CB 3.3Å; L193-S197 PolarHBondContact O-N 3.05Å; L193-S197 PolarHBondContact O-OG 3.07Å; I194-S197 WeakPolarHBondContact O-CB 3.38Å; I194-S197 PolarHBondContact O-N 2.88Å; I194-S197 VanDerWaalsContact O-N 3.09Å; Q195-S197 VanDerWaalsContact C-N 3.31Å; Q195-S197 PolarHBondContact O-N 2.86Å; S197-G201 PolarHBondContact O-N 2.96Å |
| 198 | T | 76.9 | Confident | 72.7 | Confident | 80 Ų | 80 | 78.2 Ų | 78.2 | 49% | 0.491 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.9 | -46.7 | 176.6 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | I194 Q195 N200 G201 E202 | I194-T198 PolarHBondContact O-N 3.36Å; I194-T198 PolarHBondContact O-OG1 2.83Å; Q195-T198 PolarHBondContact O-N 3.1Å; T198-N200 VanDerWaalsContact C-N 3.34Å; T198-N200 PolarHBondContact O-N 3.17Å; T198-G201 PolarHBondContact O-N 2.99Å; T198-E202 PolarHBondContact O-N 3.42Å |
| 199 | S | 74.3 | Confident | 71.7 | Confident | 59 Ų | 59 | 78.8 Ų | 78.8 | 41% | 0.413 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -55.7 | -46.5 | 178 | -171.6 | 0 | 0 | 0 | 0 | 112.1 | Q195 G201 E202 D203 | Q195-S199 PolarHBondContact O-N 3.05Å; Q195-S199 VanDerWaalsContact O-N 3.08Å; S199-G201 VanDerWaalsContact C-N 3.26Å; S199-G201 PolarHBondContact O-N 3.39Å; S199-E202 PolarHBondContact O-N 2.82Å; S199-D203 PolarHBondContact O-N 2.78Å |
| 200 | N | 64.6 | Low | 70.8 | Confident | 42 Ų | 42 | 83.4 Ų | 83.4 | 23% | 0.225 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -67.7 | -26 | 179.4 | -64.8 | -28.8 | 0 | 0 | 0 | 113.1 | N29 R32 L196 T198 E202 L204 | N29-N200 PolarHBondContact OD1-ND2 3.41Å; R32-N200 PolarHBondContact NH1-ND2 3.23Å; L196-N200 VanDerWaalsContact O-CG 3.27Å; L196-N200 PolarHBondContact O-N 3.4Å; L196-N200 PolarHBondContact O-ND2 3.39Å; L196-N200 VanDerWaalsContact O-ND2 3.09Å; T198-N200 VanDerWaalsContact C-N 3.34Å; T198-N200 PolarHBondContact O-N 3.17Å; N200-E202 VanDerWaalsContact C-N 3.33Å; N200-L204 WeakPolarHBondContact O-CD1 3.32Å; N200-L204 PolarHBondContact O-N 2.91Å |
| 201 | G | 60.3 | Low | 69.9 | Low | 32 Ų | 32 | 88 Ų | 88 | 33% | 0.33 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -75.5 | -22.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S197 T198 S199 Q205 | S197-G201 PolarHBondContact O-N 2.96Å; T198-G201 PolarHBondContact O-N 2.99Å; S199-G201 VanDerWaalsContact C-N 3.26Å; S199-G201 PolarHBondContact O-N 3.39Å; G201-Q205 PolarHBondContact O-NE2 3.31Å; G201-Q205 VanDerWaalsContact O-NE2 3.14Å |
| 202 | E | 60.4 | Low | 68.7 | Low | 128 Ų | 128 | 88.9 Ų | 88.9 | 60% | 0.598 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -79.7 | -43.3 | 172.6 | -66.4 | -179.6 | 140.7 | 0 | 0 | 110.4 | T198 S199 N200 L204 Q205 | T198-E202 PolarHBondContact O-N 3.42Å; S199-E202 PolarHBondContact O-N 2.82Å; N200-E202 VanDerWaalsContact C-N 3.33Å; E202-L204 PolarHBondContact O-N 3.01Å; E202-L204 VanDerWaalsContact O-N 3.12Å; E202-Q205 PolarHBondContact O-N 3.27Å |
| 203 | D | 55.3 | Low | 67.4 | Low | 109 Ų | 109 | 89.5 Ų | 89.5 | 58% | 0.583 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.2 | -18.4 | 177 | -67.5 | -32.7 | 0 | 0 | 0 | 114.3 | S199 | S199-D203 PolarHBondContact O-N 2.78Å |
| 204 | L | 53.8 | Low | 66.2 | Low | 147 Ų | 147 | 96.4 Ų | 96.4 | 77% | 0.77 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -1.8 | 176.9 | -80.5 | 161.6 | 0 | 0 | 0 | 113.6 | N200 E202 | N200-L204 WeakPolarHBondContact O-CD1 3.32Å; N200-L204 PolarHBondContact O-N 2.91Å; E202-L204 PolarHBondContact O-N 3.01Å; E202-L204 VanDerWaalsContact O-N 3.12Å |
| 205 | Q | 50.7 | Low | 64.8 | Low | 166 Ų | 166 | 99.3 Ų | 99.3 | 78% | 0.776 | 54% | 0.536 | S | S | * | . | trans | -103.8 | -6.9 | 178.4 | -85 | 174.3 | 77.2 | 0 | 0 | 114.2 | G201 E202 | G201-Q205 PolarHBondContact O-NE2 3.31Å; G201-Q205 VanDerWaalsContact O-NE2 3.14Å; E202-Q205 PolarHBondContact O-N 3.27Å | ||
| 206 | D | 38.5 | Very low | 63.1 | Low | 206 Ų | 206 | 96.1 Ų | 96.1 | 100% | 1.102 | 53% | 0.527 | S | S | * | . | trans | -96 | 0 | 170.4 | -70 | -28.1 | 0 | 0 | 0 | 111.9 |
Retrieved 206 of 206 residues in 1578.3 ms
(Link to these results)