| 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 | 47.4 | Very low | 47.8 | Very low | 249 Ų | 249 | 127.6 Ų | 127.6 | 100% | 1.227 | 79% | 0.787 | S | S | * | * | 0 | 63.4 | 0 | -71.5 | -88.8 | -141.9 | 0 | 0 | 110 | |||||
| 2 | A | 46.2 | Very low | 48.4 | Very low | 84 Ų | 84 | 121.8 Ų | 121.8 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | trans | -157.2 | -18 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V4 | A2-V4 VanDerWaalsContact C-N 3.32Å; A2-V4 PolarHBondContact O-N 3.43Å | ||
| 3 | A | 43.9 | Very low | 49.4 | Very low | 91 Ų | 91 | 119.7 Ų | 119.7 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -4.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 4 | V | 50.6 | Low | 51.6 | Low | 131 Ų | 131 | 117.9 Ų | 117.9 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -13.3 | -177.4 | -179 | 0 | 0 | 0 | 0 | 112.1 | A2 | A2-V4 VanDerWaalsContact C-N 3.32Å; A2-V4 PolarHBondContact O-N 3.43Å |
| 5 | A | 48.6 | Very low | 53.7 | Low | 80 Ų | 80 | 117.1 Ų | 117.1 | 66% | 0.661 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -6.5 | -173 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 6 | V | 49.8 | Very low | 55.8 | Low | 121 Ų | 121 | 116.1 Ų | 116.1 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -11.8 | -179 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 7 | V | 49 | Very low | 57.7 | Low | 124 Ų | 124 | 112.6 Ų | 112.6 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -10.6 | -178.5 | -171.7 | 0 | 0 | 0 | 0 | 112.2 | ||
| 8 | D | 41.6 | Very low | 59.5 | Low | 140 Ų | 140 | 111.6 Ų | 111.6 | 75% | 0.749 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 19 | -171.6 | -138.4 | 10.8 | 0 | 0 | 0 | 114.6 | ||
| 9 | A | 45.3 | Very low | 61.1 | Low | 81 Ų | 81 | 107.9 Ų | 107.9 | 67% | 0.669 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -112.7 | 24.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 10 | F | 51.1 | Low | 62.6 | Low | 188 Ų | 188 | 107.7 Ų | 107.7 | 83% | 0.825 | 68% | 0.676 | S | S | * | * | trans | -119.4 | 35 | 166.7 | -79 | -81.4 | 0 | 0 | 0 | 111.3 | G12 | F10-G12 PolarHBondContact O-N 3.09Š| ||
| 11 | S | 52.4 | Low | 64 | Low | 115 Ų | 115 | 107 Ų | 107 | 80% | 0.804 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -73.1 | 81.8 | 168.1 | 64.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 12 | G | 54.7 | Low | 66.1 | Low | 58 Ų | 58 | 100.6 Ų | 100.6 | 60% | 0.598 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 128.7 | 89.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110 | F10 D14 | F10-G12 PolarHBondContact O-N 3.09Å; G12-D14 PolarHBondContact O-N 2.89Å; G12-D14 VanDerWaalsContact O-N 3.09Å |
| 13 | T | 62.1 | Low | 68.5 | Low | 94 Ų | 94 | 102.9 Ų | 102.9 | 58% | 0.577 | 63% | 0.634 | S | S | * | * | trans | -53 | 117.9 | 154 | 37.9 | 0 | 0 | 0 | 0 | 106.3 | P15 E18 | T13-P15 VanDerWaalsContact O-CD 3.29Å; T13-P15 WeakPolarHBondContact O-CD 3.39Å; T13-E18 VanDerWaalsContact CB-OE2 3.29Å; T13-E18 WeakPolarHBondContact CB-OE2 3.45Å; T13-E18 PolarHBondContact OG1-OE2 2.71Å | ||
| 14 | D | 79.1 | Confident | 70.9 | Confident | 95 Ų | 95 | 102.4 Ų | 102.4 | 51% | 0.508 | 62% | 0.618 | S | S | . | * | trans | -53.9 | 116.5 | 172.7 | -177.4 | -9.9 | 0 | 0 | 0 | 106.1 | G12 V16 A17 E18 | G12-D14 PolarHBondContact O-N 2.89Å; G12-D14 VanDerWaalsContact O-N 3.09Å; D14-V16 CarbonylContact O-C 3.55Å; D14-V16 PolarHBondContact O-N 3.23Å; D14-V16 WeakPolarHBondContact OD1-CB 3.4Å; D14-V16 PolarHBondContact OD1-N 2.99Å; D14-A17 HydrophobicContact CB-CB 3.95Å; D14-A17 WeakPolarHBondContact O-CA 3.47Å; D14-A17 WeakPolarHBondContact O-CB 3.29Å; D14-A17 PolarHBondContact O-N 2.95Å; D14-E18 PolarHBondContact O-N 2.79Å | ||
| 15 | P | 83.2 | Confident | 73.1 | Confident | 105 Ų | 105 | 100.8 Ų | 100.8 | 68% | 0.682 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -58.2 | -23.1 | -173.9 | 22.2 | -33.9 | 0 | 0 | 0 | 111.5 | T13 G19 | T13-P15 VanDerWaalsContact O-CD 3.29Å; T13-P15 WeakPolarHBondContact O-CD 3.39Å; P15-G19 PolarHBondContact O-N 2.98Å |
| 16 | V | 88.2 | Confident | 75.3 | Confident | 101 Ų | 101 | 100.4 Ų | 100.4 | 61% | 0.612 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.4 | -45.7 | 171.2 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | D14 E18 G19 L20 | D14-V16 CarbonylContact O-C 3.55Å; D14-V16 PolarHBondContact O-N 3.23Å; D14-V16 WeakPolarHBondContact OD1-CB 3.4Å; D14-V16 PolarHBondContact OD1-N 2.99Å; V16-E18 VanDerWaalsContact C-N 3.34Å; V16-G19 PolarHBondContact O-N 3.26Å; V16-L20 WeakPolarHBondContact O-CB 3.38Å; V16-L20 PolarHBondContact O-N 3.37Å |
| 17 | A | 88.6 | Confident | 77.6 | Confident | 58 Ų | 58 | 97.4 Ų | 97.4 | 48% | 0.479 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.5 | -38.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D14 L20 L21 | D14-A17 HydrophobicContact CB-CB 3.95Å; D14-A17 WeakPolarHBondContact O-CA 3.47Å; D14-A17 WeakPolarHBondContact O-CB 3.29Å; D14-A17 PolarHBondContact O-N 2.95Å; A17-L20 PolarHBondContact O-N 3.17Å; A17-L21 WeakPolarHBondContact O-CB 3.29Å; A17-L21 PolarHBondContact O-N 3.41Å |
| 18 | E | 89.3 | Confident | 79.8 | Confident | 94 Ų | 94 | 95.4 Ų | 95.4 | 44% | 0.439 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.3 | -43.2 | 175.7 | -169.7 | 158.1 | -171.3 | 0 | 0 | 111.7 | T13 D14 V16 L20 L21 E22 | T13-E18 VanDerWaalsContact CB-OE2 3.29Å; T13-E18 WeakPolarHBondContact CB-OE2 3.45Å; T13-E18 PolarHBondContact OG1-OE2 2.71Å; D14-E18 PolarHBondContact O-N 2.79Å; V16-E18 VanDerWaalsContact C-N 3.34Å; E18-L20 PolarHBondContact O-N 3.45Å; E18-L21 PolarHBondContact O-N 3Å; E18-E22 VanDerWaalsContact O-CG 3.29Å; E18-E22 WeakPolarHBondContact O-CG 3.36Å; E18-E22 PolarHBondContact O-N 2.9Å |
| 19 | G | 89.6 | Confident | 82.5 | Confident | 41 Ų | 41 | 94.3 Ų | 94.3 | 42% | 0.423 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.6 | -37.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | P15 V16 L23 | P15-G19 PolarHBondContact O-N 2.98Å; V16-G19 PolarHBondContact O-N 3.26Å; G19-L23 PolarHBondContact O-N 2.74Å; G19-L23 VanDerWaalsContact O-N 3.1Å |
| 20 | L | 91.9 | Very high | 85 | Confident | 104 Ų | 104 | 96.2 Ų | 96.2 | 55% | 0.545 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.4 | -37.9 | 175 | -139.2 | 91.9 | 0 | 0 | 0 | 111.6 | V16 A17 E18 L23 I24 | V16-L20 WeakPolarHBondContact O-CB 3.38Å; V16-L20 PolarHBondContact O-N 3.37Å; A17-L20 PolarHBondContact O-N 3.17Å; E18-L20 PolarHBondContact O-N 3.45Å; L20-L23 PolarHBondContact O-N 3.47Å; L20-I24 HydrophobicContact CD2-CD1 4.4Å; L20-I24 WeakPolarHBondContact O-CG1 3.29Å; L20-I24 PolarHBondContact O-N 2.91Å |
| 21 | L | 91 | Very high | 87.2 | Confident | 93 Ų | 93 | 92.3 Ų | 92.3 | 49% | 0.487 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67 | -44.8 | 176.3 | -176.3 | 66.7 | 0 | 0 | 0 | 111.1 | A17 E18 L23 I24 K25 | A17-L21 WeakPolarHBondContact O-CB 3.29Å; A17-L21 PolarHBondContact O-N 3.41Å; E18-L21 PolarHBondContact O-N 3Å; L21-L23 PolarHBondContact O-N 3.14Å; L21-I24 PolarHBondContact O-N 3.1Å; L21-I24 VanDerWaalsContact O-N 3.14Å; L21-K25 HydrophobicContact CG-CG 4.45Å; L21-K25 VanDerWaalsContact O-CG 3.3Å; L21-K25 WeakPolarHBondContact O-CG 3.5Å; L21-K25 PolarHBondContact O-N 3.44Å |
| 22 | E | 92.8 | Very high | 89.4 | Confident | 114 Ų | 114 | 91.4 Ų | 91.4 | 53% | 0.533 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -54.3 | -40.7 | 173 | -74.7 | -86.6 | 114.3 | 0 | 0 | 111.8 | E18 K25 P26 | E18-E22 VanDerWaalsContact O-CG 3.29Å; E18-E22 WeakPolarHBondContact O-CG 3.36Å; E18-E22 PolarHBondContact O-N 2.9Å; E22-K25 IonicContact OE1-NZ 2.74Å; E22-K25 PolarHBondContact OE1-NZ 3.42Å; E22-P26 VanDerWaalsContact O-CD 3.31Å; E22-P26 WeakPolarHBondContact O-CD 3.44Å |
| 23 | L | 95.1 | Very high | 91.4 | Very high | 133 Ų | 133 | 93.2 Ų | 93.2 | 70% | 0.696 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.2 | -36.2 | 177.9 | -173.5 | 67.4 | 0 | 0 | 0 | 113 | G19 L20 L21 P26 | G19-L23 PolarHBondContact O-N 2.74Å; G19-L23 VanDerWaalsContact O-N 3.1Å; L20-L23 PolarHBondContact O-N 3.47Å; L21-L23 PolarHBondContact O-N 3.14Å; L23-P26 WeakPolarHBondContact O-CD 3.32Å; L23-P26 WeakPolarHBondContact O-CG 3.43Å |
| 24 | I | 95.4 | Very high | 93.2 | Very high | 80 Ų | 80 | 94.6 Ų | 94.6 | 41% | 0.41 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -90 | -27.9 | -174.4 | -64.4 | 169.9 | 0 | 0 | 0 | 112.6 | L20 L21 P26 A27 I28 | L20-I24 HydrophobicContact CD2-CD1 4.4Å; L20-I24 WeakPolarHBondContact O-CG1 3.29Å; L20-I24 PolarHBondContact O-N 2.91Å; L21-I24 PolarHBondContact O-N 3.1Å; L21-I24 VanDerWaalsContact O-N 3.14Å; I24-P26 VanDerWaalsContact C-CD 3.44Å; I24-A27 WeakPolarHBondContact O-CB 3.3Å; I24-A27 PolarHBondContact O-N 3.33Å; I24-I28 HydrophobicContact CG2-CD1 3.79Å; I24-I28 HydrophobicContact CG2-CG1 3.93Å; I24-I28 PolarHBondContact O-N 2.91Å; I24-I28 VanDerWaalsContact O-N 3.08Å |
| 25 | K | 95.7 | Very high | 94.1 | Very high | 98 Ų | 98 | 94.1 Ų | 94.1 | 43% | 0.426 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -42.1 | -49.1 | 175.3 | -87.5 | 174.7 | -171.9 | 169.8 | 0 | 114.6 | L21 E22 A27 I28 H29 | L21-K25 HydrophobicContact CG-CG 4.45Å; L21-K25 VanDerWaalsContact O-CG 3.3Å; L21-K25 WeakPolarHBondContact O-CG 3.5Å; L21-K25 PolarHBondContact O-N 3.44Å; E22-K25 IonicContact OE1-NZ 2.74Å; E22-K25 PolarHBondContact OE1-NZ 3.42Å; K25-A27 VanDerWaalsContact C-N 3.31Å; K25-A27 PolarHBondContact O-N 2.93Å; K25-I28 PolarHBondContact O-N 3.16Å; K25-H29 PolarHBondContact O-N 2.88Å |
| 26 | P | 96.4 | Very high | 94.8 | Very high | 72 Ų | 72 | 94.1 Ų | 94.1 | 47% | 0.468 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -34.6 | -180 | 22.8 | -33.4 | 0 | 0 | 0 | 113.1 | E22 L23 I24 H29 Q30 | E22-P26 VanDerWaalsContact O-CD 3.31Å; E22-P26 WeakPolarHBondContact O-CD 3.44Å; L23-P26 WeakPolarHBondContact O-CD 3.32Å; L23-P26 WeakPolarHBondContact O-CG 3.43Å; I24-P26 VanDerWaalsContact C-CD 3.44Å; P26-H29 PolarHBondContact O-N 2.97Å; P26-Q30 WeakPolarHBondContact O-CG 3.45Å; P26-Q30 PolarHBondContact O-N 3.34Å |
| 27 | A | 96.6 | Very high | 95.3 | Very high | 58 Ų | 58 | 92.2 Ų | 92.2 | 48% | 0.479 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.4 | -39.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I24 K25 Q30 L31 | I24-A27 WeakPolarHBondContact O-CB 3.3Å; I24-A27 PolarHBondContact O-N 3.33Å; K25-A27 VanDerWaalsContact C-N 3.31Å; K25-A27 PolarHBondContact O-N 2.93Å; A27-Q30 PolarHBondContact O-N 2.86Å; A27-L31 WeakPolarHBondContact O-CB 3.31Å; A27-L31 PolarHBondContact O-N 3.44Å |
| 28 | I | 96.3 | Very high | 95.8 | Very high | 82 Ų | 82 | 93.1 Ų | 93.1 | 42% | 0.421 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 173.5 | -65.8 | 170.7 | 0 | 0 | 0 | 110.1 | I24 K25 Q30 L31 D32 | I24-I28 HydrophobicContact CG2-CD1 3.79Å; I24-I28 HydrophobicContact CG2-CG1 3.93Å; I24-I28 PolarHBondContact O-N 2.91Å; I24-I28 VanDerWaalsContact O-N 3.08Å; K25-I28 PolarHBondContact O-N 3.16Å; I28-Q30 VanDerWaalsContact C-N 3.34Å; I28-Q30 PolarHBondContact O-N 3.28Å; I28-L31 WeakPolarHBondContact O-CB 3.42Å; I28-L31 PolarHBondContact O-N 3.08Å; I28-L31 VanDerWaalsContact O-N 3.16Å; I28-D32 PolarHBondContact O-N 3.39Å |
| 29 | H | 97.3 | Very high | 96.2 | Very high | 116 Ų | 116 | 96.3 Ų | 96.3 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 178.6 | -173.5 | 61.8 | 0 | 0 | 0 | 112.3 | K25 P26 L31 D32 L33 | K25-H29 PolarHBondContact O-N 2.88Å; P26-H29 PolarHBondContact O-N 2.97Å; H29-L31 VanDerWaalsContact C-N 3.35Å; H29-D32 PolarHBondContact O-N 3.18Å; H29-L33 WeakPolarHBondContact O-CG 3.45Å; H29-L33 PolarHBondContact O-N 3.02Å |
| 30 | Q | 97.6 | Very high | 96.6 | Very high | 121 Ų | 121 | 99.2 Ų | 99.2 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.2 | -40.3 | 174.3 | -77.9 | -176 | -10.1 | 0 | 0 | 112.6 | P26 A27 I28 L33 H34 | P26-Q30 WeakPolarHBondContact O-CG 3.45Å; P26-Q30 PolarHBondContact O-N 3.34Å; A27-Q30 PolarHBondContact O-N 2.86Å; I28-Q30 VanDerWaalsContact C-N 3.34Å; I28-Q30 PolarHBondContact O-N 3.28Å; Q30-L33 PolarHBondContact O-N 3.36Å; Q30-H34 PolarHBondContact O-N 3.5Å |
| 31 | L | 97.8 | Very high | 96.9 | Very high | 106 Ų | 106 | 97.4 Ų | 97.4 | 56% | 0.555 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.7 | -44.9 | 175.1 | 179.6 | 62.6 | 0 | 0 | 0 | 111.2 | A27 I28 H29 L33 H34 V35 | A27-L31 WeakPolarHBondContact O-CB 3.31Å; A27-L31 PolarHBondContact O-N 3.44Å; I28-L31 WeakPolarHBondContact O-CB 3.42Å; I28-L31 PolarHBondContact O-N 3.08Å; I28-L31 VanDerWaalsContact O-N 3.16Å; H29-L31 VanDerWaalsContact C-N 3.35Å; L31-L33 VanDerWaalsContact C-N 3.32Å; L31-L33 PolarHBondContact O-N 2.9Å; L31-H34 PolarHBondContact O-N 3.33Å; L31-V35 HydrophobicContact CD1-CG2 4.32Å; L31-V35 HydrophobicContact CG-CG2 4.43Å; L31-V35 WeakPolarHBondContact O-CG2 3.42Å; L31-V35 PolarHBondContact O-N 2.97Å |
| 32 | D | 98.2 | Very high | 97.3 | Very high | 97 Ų | 97 | 98.9 Ų | 98.9 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 177.7 | -76.8 | -18.7 | 0 | 0 | 0 | 111.8 | I28 H29 H34 V35 H36 | I28-D32 PolarHBondContact O-N 3.39Å; H29-D32 PolarHBondContact O-N 3.18Å; D32-H34 PolarHBondContact O-N 3.42Å; D32-V35 PolarHBondContact O-N 3.05Å; D32-H36 WeakPolarHBondContact O-CB 3.39Å; D32-H36 PolarHBondContact O-N 3.11Å |
| 33 | L | 98.2 | Very high | 97.6 | Very high | 96 Ų | 96 | 97.5 Ų | 97.5 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 175 | -69.8 | 174.4 | 0 | 0 | 0 | 111.9 | H29 Q30 L31 H36 S37 | H29-L33 WeakPolarHBondContact O-CG 3.45Å; H29-L33 PolarHBondContact O-N 3.02Å; Q30-L33 PolarHBondContact O-N 3.36Å; L31-L33 VanDerWaalsContact C-N 3.32Å; L31-L33 PolarHBondContact O-N 2.9Å; L33-H36 PolarHBondContact O-N 3.07Å; L33-S37 WeakPolarHBondContact O-CB 3.26Å; L33-S37 PolarHBondContact O-N 3.41Å |
| 34 | H | 98.2 | Very high | 97.7 | Very high | 122 Ų | 122 | 96.5 Ų | 96.5 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.6 | -41.2 | 176.8 | -69.9 | 173.3 | 0 | 0 | 0 | 112.2 | Q30 L31 D32 H36 S37 V38 | Q30-H34 PolarHBondContact O-N 3.5Å; L31-H34 PolarHBondContact O-N 3.33Å; D32-H34 PolarHBondContact O-N 3.42Å; H34-H36 VanDerWaalsContact C-N 3.29Å; H34-H36 PolarHBondContact O-N 2.98Å; H34-S37 PolarHBondContact O-N 3.37Å; H34-V38 WeakPolarHBondContact O-CB 3.46Å; H34-V38 VanDerWaalsContact O-CG2 3.28Å; H34-V38 WeakPolarHBondContact O-CG2 3.28Å; H34-V38 PolarHBondContact O-N 3.43Å |
| 35 | V | 98.4 | Very high | 97.9 | Very high | 85 Ų | 85 | 97.6 Ų | 97.6 | 52% | 0.515 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 175.3 | 169.4 | 0 | 0 | 0 | 0 | 110.5 | L31 D32 R39 | L31-V35 HydrophobicContact CD1-CG2 4.32Å; L31-V35 HydrophobicContact CG-CG2 4.43Å; L31-V35 WeakPolarHBondContact O-CG2 3.42Å; L31-V35 PolarHBondContact O-N 2.97Å; D32-V35 PolarHBondContact O-N 3.05Å; V35-R39 WeakPolarHBondContact O-CB 3.39Å; V35-R39 PolarHBondContact O-N 3.4Å |
| 36 | H | 98.4 | Very high | 98 | Very high | 105 Ų | 105 | 100.5 Ų | 100.5 | 49% | 0.486 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -50.5 | 176.7 | -158.7 | 78.7 | 0 | 0 | 0 | 111.7 | D32 L33 H34 V38 R39 E40 | D32-H36 WeakPolarHBondContact O-CB 3.39Å; D32-H36 PolarHBondContact O-N 3.11Å; L33-H36 PolarHBondContact O-N 3.07Å; H34-H36 VanDerWaalsContact C-N 3.29Å; H34-H36 PolarHBondContact O-N 2.98Å; H36-V38 PolarHBondContact O-N 3.28Å; H36-R39 WeakPolarHBondContact O-CB 3.42Å; H36-R39 PolarHBondContact O-N 2.94Å; H36-R39 VanDerWaalsContact O-N 3.1Å; H36-E40 IonicContact CD2-OE1 3.43Å; H36-E40 PolarHBondContact CD2-OE1 2.95Å; H36-E40 IonicContact NE2-OE1 3.36Å; H36-E40 PolarHBondContact NE2-OE1 3.36Å; H36-E40 WeakPolarHBondContact O-CG 3.49Å; H36-E40 PolarHBondContact O-N 3.33Å |
| 37 | S | 98.4 | Very high | 98.1 | Very high | 61 Ų | 61 | 102.7 Ų | 102.7 | 43% | 0.427 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 179.3 | 175.5 | 0 | 0 | 0 | 0 | 112.4 | L33 H34 R39 E40 S41 | L33-S37 WeakPolarHBondContact O-CB 3.26Å; L33-S37 PolarHBondContact O-N 3.41Å; H34-S37 PolarHBondContact O-N 3.37Å; S37-R39 VanDerWaalsContact C-N 3.3Å; S37-R39 PolarHBondContact O-N 2.94Å; S37-E40 PolarHBondContact O-N 2.92Å; S37-S41 PolarHBondContact O-N 3.03Å; S37-S41 PolarHBondContact O-OG 3.36Å |
| 38 | V | 98.5 | Very high | 98.2 | Very high | 78 Ų | 78 | 105.8 Ų | 105.8 | 47% | 0.473 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 176.4 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | H34 H36 S41 Q42 | H34-V38 WeakPolarHBondContact O-CB 3.46Å; H34-V38 VanDerWaalsContact O-CG2 3.28Å; H34-V38 WeakPolarHBondContact O-CG2 3.28Å; H34-V38 PolarHBondContact O-N 3.43Å; H36-V38 PolarHBondContact O-N 3.28Å; V38-S41 PolarHBondContact O-N 3.1Å; V38-Q42 HydrophobicContact CG1-CG 4.37Å; V38-Q42 WeakPolarHBondContact O-CB 3.49Å; V38-Q42 VanDerWaalsContact O-CG 3.26Å; V38-Q42 WeakPolarHBondContact O-CG 3.49Å; V38-Q42 PolarHBondContact O-N 3.03Å |
| 39 | R | 98.4 | Very high | 98.3 | Very high | 161 Ų | 161 | 105.9 Ų | 105.9 | 61% | 0.608 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.9 | -41.5 | 177.9 | -174.6 | 174.6 | -179.3 | -85 | -1.4 | 111.7 | V35 H36 S37 Q42 V43 | V35-R39 WeakPolarHBondContact O-CB 3.39Å; V35-R39 PolarHBondContact O-N 3.4Å; H36-R39 WeakPolarHBondContact O-CB 3.42Å; H36-R39 PolarHBondContact O-N 2.94Å; H36-R39 VanDerWaalsContact O-N 3.1Å; S37-R39 VanDerWaalsContact C-N 3.3Å; S37-R39 PolarHBondContact O-N 2.94Å; R39-Q42 PolarHBondContact O-N 3.4Å; R39-V43 WeakPolarHBondContact O-CG2 3.37Å; R39-V43 PolarHBondContact O-N 2.93Å; R39-V43 VanDerWaalsContact O-N 3.11Å |
| 40 | E | 98.4 | Very high | 98.3 | Very high | 102 Ų | 102 | 104.3 Ų | 104.3 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.8 | -51.2 | 174.4 | -70.4 | 177.1 | 152.4 | 0 | 0 | 111 | H36 S37 Q42 V43 E44 | H36-E40 IonicContact CD2-OE1 3.43Å; H36-E40 PolarHBondContact CD2-OE1 2.95Å; H36-E40 IonicContact NE2-OE1 3.36Å; H36-E40 PolarHBondContact NE2-OE1 3.36Å; H36-E40 WeakPolarHBondContact O-CG 3.49Å; H36-E40 PolarHBondContact O-N 3.33Å; S37-E40 PolarHBondContact O-N 2.92Å; E40-Q42 VanDerWaalsContact C-N 3.26Å; E40-Q42 PolarHBondContact O-N 3.43Å; E40-V43 PolarHBondContact O-N 3.3Å; E40-E44 PolarHBondContact O-N 2.95Å |
| 41 | S | 98.3 | Very high | 98.4 | Very high | 65 Ų | 65 | 102.4 Ų | 102.4 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61 | -33.3 | 178.1 | -58.5 | 0 | 0 | 0 | 0 | 113.2 | S37 V38 L45 | S37-S41 PolarHBondContact O-N 3.03Å; S37-S41 PolarHBondContact O-OG 3.36Å; V38-S41 PolarHBondContact O-N 3.1Å; S41-L45 VanDerWaalsContact O-CB 3.29Å; S41-L45 WeakPolarHBondContact O-CB 3.35Å; S41-L45 PolarHBondContact O-N 3.18Å |
| 42 | Q | 98.4 | Very high | 98.4 | Very high | 125 Ų | 125 | 102.4 Ų | 102.4 | 58% | 0.584 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.4 | -36.4 | 175.4 | -76.7 | 175.8 | 2.1 | 0 | 0 | 112.7 | V38 R39 E40 R46 | V38-Q42 HydrophobicContact CG1-CG 4.37Å; V38-Q42 WeakPolarHBondContact O-CB 3.49Å; V38-Q42 VanDerWaalsContact O-CG 3.26Å; V38-Q42 WeakPolarHBondContact O-CG 3.49Å; V38-Q42 PolarHBondContact O-N 3.03Å; R39-Q42 PolarHBondContact O-N 3.4Å; E40-Q42 VanDerWaalsContact C-N 3.26Å; E40-Q42 PolarHBondContact O-N 3.43Å; Q42-R46 WeakPolarHBondContact O-CB 3.39Å; Q42-R46 PolarHBondContact O-N 3.48Å; Q42-R46 VanDerWaalsContact O-N 3.07Å |
| 43 | V | 98.6 | Very high | 98.3 | Very high | 85 Ų | 85 | 100.3 Ų | 100.3 | 52% | 0.515 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.5 | -46.1 | 175.7 | 172 | 0 | 0 | 0 | 0 | 110.3 | R39 E40 L45 R46 E47 | R39-V43 WeakPolarHBondContact O-CG2 3.37Å; R39-V43 PolarHBondContact O-N 2.93Å; R39-V43 VanDerWaalsContact O-N 3.11Å; E40-V43 PolarHBondContact O-N 3.3Å; V43-L45 PolarHBondContact O-N 2.93Å; V43-R46 WeakPolarHBondContact O-CB 3.47Å; V43-R46 PolarHBondContact O-N 3.39Å; V43-E47 PolarHBondContact O-N 3.16Å |
| 44 | E | 98.5 | Very high | 98.3 | Very high | 111 Ų | 111 | 99.5 Ų | 99.5 | 52% | 0.519 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 176.2 | -69.9 | 179.1 | 169.4 | 0 | 0 | 111.8 | E40 R46 E47 H48 | E40-E44 PolarHBondContact O-N 2.95Å; E44-R46 VanDerWaalsContact C-N 3.3Å; E44-R46 PolarHBondContact O-N 3.21Å; E44-E47 WeakPolarHBondContact O-CB 3.48Å; E44-E47 PolarHBondContact O-N 3.29Å; E44-H48 PolarHBondContact O-CD2 3.45Å; E44-H48 PolarHBondContact O-N 2.87Å |
| 45 | L | 98.4 | Very high | 98.2 | Very high | 104 Ų | 104 | 97.9 Ų | 97.9 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 177.3 | 179.8 | 61.4 | 0 | 0 | 0 | 111.8 | S41 V43 E47 H48 I49 | S41-L45 VanDerWaalsContact O-CB 3.29Å; S41-L45 WeakPolarHBondContact O-CB 3.35Å; S41-L45 PolarHBondContact O-N 3.18Å; V43-L45 PolarHBondContact O-N 2.93Å; L45-E47 VanDerWaalsContact C-N 3.35Å; L45-H48 PolarHBondContact O-N 3.43Å; L45-I49 HydrophobicContact CD1-CD1 4.25Å; L45-I49 HydrophobicContact CD1-CG1 4.36Å; L45-I49 HydrophobicContact CG-CD1 3.99Å; L45-I49 VanDerWaalsContact O-CG1 3.27Å; L45-I49 WeakPolarHBondContact O-CG1 3.29Å; L45-I49 PolarHBondContact O-N 2.96Å |
| 46 | R | 98.4 | Very high | 98.1 | Very high | 158 Ų | 158 | 98.6 Ų | 98.6 | 60% | 0.596 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.2 | -48.9 | 175 | 177.4 | 66.4 | 65.4 | -179.6 | 1.9 | 110.5 | Q42 V43 E44 H48 I49 D50 | Q42-R46 WeakPolarHBondContact O-CB 3.39Å; Q42-R46 PolarHBondContact O-N 3.48Å; Q42-R46 VanDerWaalsContact O-N 3.07Å; V43-R46 WeakPolarHBondContact O-CB 3.47Å; V43-R46 PolarHBondContact O-N 3.39Å; E44-R46 VanDerWaalsContact C-N 3.3Å; E44-R46 PolarHBondContact O-N 3.21Å; R46-H48 VanDerWaalsContact C-N 3.33Å; R46-H48 PolarHBondContact O-N 3.36Å; R46-I49 PolarHBondContact O-N 3.46Å; R46-D50 PolarHBondContact O-N 3.01Å |
| 47 | E | 98.5 | Very high | 97.9 | Very high | 118 Ų | 118 | 99.2 Ų | 99.2 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.7 | -43.8 | 178.5 | -170.4 | -175 | 164.4 | 0 | 0 | 111.5 | V43 E44 L45 I49 D50 N51 | V43-E47 PolarHBondContact O-N 3.16Å; E44-E47 WeakPolarHBondContact O-CB 3.48Å; E44-E47 PolarHBondContact O-N 3.29Å; L45-E47 VanDerWaalsContact C-N 3.35Å; E47-I49 PolarHBondContact O-N 3.01Å; E47-D50 PolarHBondContact O-N 2.86Å; E47-N51 VanDerWaalsContact O-CB 3.32Å; E47-N51 WeakPolarHBondContact O-CB 3.27Å; E47-N51 PolarHBondContact O-N 3.01Å; E47-N51 PolarHBondContact O-ND2 2.9Å |
| 48 | H | 98.3 | Very high | 97.6 | Very high | 123 Ų | 123 | 102.3 Ų | 102.3 | 57% | 0.569 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62 | -40.4 | 175.5 | -73.5 | -49 | 0 | 0 | 0 | 113.2 | E44 L45 R46 L52 | E44-H48 PolarHBondContact O-CD2 3.45Å; E44-H48 PolarHBondContact O-N 2.87Å; L45-H48 PolarHBondContact O-N 3.43Å; R46-H48 VanDerWaalsContact C-N 3.33Å; R46-H48 PolarHBondContact O-N 3.36Å; H48-L52 VanDerWaalsContact O-CB 3.3Å; H48-L52 WeakPolarHBondContact O-CB 3.49Å; H48-L52 PolarHBondContact O-N 3.2Å |
| 49 | I | 98.4 | Very high | 97.3 | Very high | 85 Ų | 85 | 102.4 Ų | 102.4 | 44% | 0.436 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -46.9 | 175.7 | -71.9 | 166.8 | 0 | 0 | 0 | 110.2 | L45 R46 E47 L52 A53 | L45-I49 HydrophobicContact CD1-CD1 4.25Å; L45-I49 HydrophobicContact CD1-CG1 4.36Å; L45-I49 HydrophobicContact CG-CD1 3.99Å; L45-I49 VanDerWaalsContact O-CG1 3.27Å; L45-I49 WeakPolarHBondContact O-CG1 3.29Å; L45-I49 PolarHBondContact O-N 2.96Å; R46-I49 PolarHBondContact O-N 3.46Å; E47-I49 PolarHBondContact O-N 3.01Å; I49-L52 PolarHBondContact O-N 3.24Å; I49-A53 WeakPolarHBondContact O-CB 3.5Å; I49-A53 PolarHBondContact O-N 3.24Å |
| 50 | D | 98.4 | Very high | 96.8 | Very high | 82 Ų | 82 | 98.6 Ų | 98.6 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | -177.8 | -67.1 | -22.2 | 0 | 0 | 0 | 111.4 | R46 E47 A53 T54 | R46-D50 PolarHBondContact O-N 3.01Å; E47-D50 PolarHBondContact O-N 2.86Å; D50-A53 PolarHBondContact O-N 3.24Å; D50-T54 WeakPolarHBondContact O-CB 3.48Å; D50-T54 PolarHBondContact O-N 2.89Å; D50-T54 PolarHBondContact O-OG1 2.86Å |
| 51 | N | 98.3 | Very high | 96.2 | Very high | 81 Ų | 81 | 98.5 Ų | 98.5 | 43% | 0.433 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 173.1 | -74.4 | -25.9 | 0 | 0 | 0 | 111.6 | E47 A53 T54 E55 | E47-N51 VanDerWaalsContact O-CB 3.32Å; E47-N51 WeakPolarHBondContact O-CB 3.27Å; E47-N51 PolarHBondContact O-N 3.01Å; E47-N51 PolarHBondContact O-ND2 2.9Å; N51-A53 PolarHBondContact O-N 3.04Å; N51-T54 WeakPolarHBondContact O-CB 3.32Å; N51-T54 PolarHBondContact O-N 3.45Å; N51-E55 PolarHBondContact O-N 3.5Å |
| 52 | L | 97.9 | Very high | 95.3 | Very high | 106 Ų | 106 | 101.6 Ų | 101.6 | 56% | 0.555 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.2 | -42.7 | 177.5 | 178.8 | 61.9 | 0 | 0 | 0 | 111.7 | H48 I49 T54 E55 L56 | H48-L52 VanDerWaalsContact O-CB 3.3Å; H48-L52 WeakPolarHBondContact O-CB 3.49Å; H48-L52 PolarHBondContact O-N 3.2Å; I49-L52 PolarHBondContact O-N 3.24Å; L52-T54 VanDerWaalsContact C-N 3.28Å; L52-T54 PolarHBondContact O-N 3.27Å; L52-E55 PolarHBondContact O-N 2.89Å; L52-L56 HydrophobicContact CD1-CD1 4.25Å; L52-L56 HydrophobicContact CD1-CG 4.08Å; L52-L56 HydrophobicContact CG-CD1 4.06Å; L52-L56 HydrophobicContact CG-CG 4.32Å; L52-L56 WeakPolarHBondContact O-CB 3.42Å; L52-L56 VanDerWaalsContact O-CG 3.3Å; L52-L56 WeakPolarHBondContact O-CG 3.3Å; L52-L56 PolarHBondContact O-N 3.42Å |
| 53 | A | 97.8 | Very high | 94 | Very high | 54 Ų | 54 | 102.3 Ų | 102.3 | 45% | 0.446 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | I49 D50 N51 L56 F57 | I49-A53 WeakPolarHBondContact O-CB 3.5Å; I49-A53 PolarHBondContact O-N 3.24Å; D50-A53 PolarHBondContact O-N 3.24Å; N51-A53 PolarHBondContact O-N 3.04Å; A53-L56 PolarHBondContact O-N 3.37Å; A53-F57 WeakPolarHBondContact O-CB 3.5Å; A53-F57 PolarHBondContact O-N 3.19Å |
| 54 | T | 97.2 | Very high | 92.3 | Very high | 79 Ų | 79 | 105 Ų | 105 | 49% | 0.485 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 176.6 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | D50 N51 L52 F57 R58 | D50-T54 WeakPolarHBondContact O-CB 3.48Å; D50-T54 PolarHBondContact O-N 2.89Å; D50-T54 PolarHBondContact O-OG1 2.86Å; N51-T54 WeakPolarHBondContact O-CB 3.32Å; N51-T54 PolarHBondContact O-N 3.45Å; L52-T54 VanDerWaalsContact C-N 3.28Å; L52-T54 PolarHBondContact O-N 3.27Å; T54-F57 WeakPolarHBondContact O-CB 3.41Å; T54-F57 PolarHBondContact O-N 3.31Å; T54-R58 WeakPolarHBondContact O-CG 3.14Å; T54-R58 PolarHBondContact O-N 2.91Å |
| 55 | E | 96.3 | Very high | 90.5 | Very high | 87 Ų | 87 | 105.9 Ų | 105.9 | 41% | 0.407 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | 178.5 | -72.4 | -58.6 | 125.8 | 0 | 0 | 112.3 | N51 L52 F57 R58 I59 | N51-E55 PolarHBondContact O-N 3.5Å; L52-E55 PolarHBondContact O-N 2.89Å; E55-F57 VanDerWaalsContact C-N 3.32Å; E55-F57 PolarHBondContact O-N 3.48Å; E55-R58 PolarHBondContact O-N 3.44Å; E55-R58 WeakPolarHBondContact OE1-CD 3.3Å; E55-R58 IonicContact OE1-CZ 2.79Å; E55-R58 IonicContact OE1-NH1 3.3Å; E55-R58 PolarHBondContact OE1-NH1 3.31Å; E55-R58 IonicContact OE2-NH1 2.93Å; E55-I59 VanDerWaalsContact O-CG1 3.29Å; E55-I59 WeakPolarHBondContact O-CG1 3.38Å; E55-I59 PolarHBondContact O-N 3.44Å |
| 56 | L | 95.6 | Very high | 89 | Confident | 101 Ų | 101 | 105 Ų | 105 | 53% | 0.529 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 174.2 | -72.4 | 177 | 0 | 0 | 0 | 111.9 | L52 A53 I59 N60 | L52-L56 HydrophobicContact CD1-CD1 4.25Å; L52-L56 HydrophobicContact CD1-CG 4.08Å; L52-L56 HydrophobicContact CG-CD1 4.06Å; L52-L56 HydrophobicContact CG-CG 4.32Å; L52-L56 WeakPolarHBondContact O-CB 3.42Å; L52-L56 VanDerWaalsContact O-CG 3.3Å; L52-L56 WeakPolarHBondContact O-CG 3.3Å; L52-L56 PolarHBondContact O-N 3.42Å; A53-L56 PolarHBondContact O-N 3.37Å; L56-I59 PolarHBondContact O-N 2.93Å; L56-N60 VanDerWaalsContact O-CB 3.3Å; L56-N60 WeakPolarHBondContact O-CB 3.3Å; L56-N60 PolarHBondContact O-N 2.97Å |
| 57 | F | 94.3 | Very high | 87.8 | Confident | 118 Ų | 118 | 103.1 Ų | 103.1 | 52% | 0.518 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 174.1 | -177 | -94.3 | 0 | 0 | 0 | 111.3 | A53 T54 E55 I59 N60 E61 | A53-F57 WeakPolarHBondContact O-CB 3.5Å; A53-F57 PolarHBondContact O-N 3.19Å; T54-F57 WeakPolarHBondContact O-CB 3.41Å; T54-F57 PolarHBondContact O-N 3.31Å; E55-F57 VanDerWaalsContact C-N 3.32Å; E55-F57 PolarHBondContact O-N 3.48Å; F57-I59 PolarHBondContact O-N 3.2Å; F57-N60 WeakPolarHBondContact O-CB 3.49Å; F57-N60 PolarHBondContact O-N 2.7Å; F57-E61 HydrophobicContact CD1-CG 4.24Å; F57-E61 HydrophobicContact CE1-CG 3.76Å; F57-E61 HydrophobicContact CZ-CG 3.98Å; F57-E61 PolarHBondContact O-N 3.44Å |
| 58 | R | 93 | Very high | 87 | Confident | 125 Ų | 125 | 102.2 Ų | 102.2 | 47% | 0.472 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58 | -49.5 | 174.8 | -69.6 | 175.7 | 76.3 | -167.4 | 4.2 | 110.9 | T54 E55 N60 E61 H62 | T54-R58 WeakPolarHBondContact O-CG 3.14Å; T54-R58 PolarHBondContact O-N 2.91Å; E55-R58 PolarHBondContact O-N 3.44Å; E55-R58 WeakPolarHBondContact OE1-CD 3.3Å; E55-R58 IonicContact OE1-CZ 2.79Å; E55-R58 IonicContact OE1-NH1 3.3Å; E55-R58 PolarHBondContact OE1-NH1 3.31Å; E55-R58 IonicContact OE2-NH1 2.93Å; R58-N60 VanDerWaalsContact C-N 3.28Å; R58-N60 PolarHBondContact O-N 3.47Å; R58-E61 PolarHBondContact O-N 3.27Å; R58-H62 PolarHBondContact O-N 3.33Å; R58-H62 PolarHBondContact O-ND1 3.02Å |
| 59 | I | 91 | Very high | 86.6 | Confident | 81 Ų | 81 | 101.4 Ų | 101.4 | 42% | 0.415 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.5 | -45.2 | 177.2 | -68.9 | 169.4 | 0 | 0 | 0 | 110.3 | E55 L56 F57 E61 H62 Q63 | E55-I59 VanDerWaalsContact O-CG1 3.29Å; E55-I59 WeakPolarHBondContact O-CG1 3.38Å; E55-I59 PolarHBondContact O-N 3.44Å; L56-I59 PolarHBondContact O-N 2.93Å; F57-I59 PolarHBondContact O-N 3.2Å; I59-E61 PolarHBondContact O-N 2.84Å; I59-H62 PolarHBondContact O-N 3Å; I59-Q63 HydrophobicContact CG2-CG 4.1Å; I59-Q63 VanDerWaalsContact O-CB 3.3Å; I59-Q63 WeakPolarHBondContact O-CB 3.29Å; I59-Q63 VanDerWaalsContact O-CG 3.3Å; I59-Q63 WeakPolarHBondContact O-CG 3.32Å; I59-Q63 PolarHBondContact O-N 3.06Å |
| 60 | N | 88.3 | Confident | 86.3 | Confident | 81 Ų | 81 | 102 Ų | 102 | 43% | 0.433 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 178.5 | -169.9 | -83.3 | 0 | 0 | 0 | 111.8 | L56 F57 R58 Q63 K64 | L56-N60 VanDerWaalsContact O-CB 3.3Å; L56-N60 WeakPolarHBondContact O-CB 3.3Å; L56-N60 PolarHBondContact O-N 2.97Å; F57-N60 WeakPolarHBondContact O-CB 3.49Å; F57-N60 PolarHBondContact O-N 2.7Å; R58-N60 VanDerWaalsContact C-N 3.28Å; R58-N60 PolarHBondContact O-N 3.47Å; N60-Q63 PolarHBondContact O-N 3.25Å; N60-K64 WeakPolarHBondContact O-CG 3.32Å; N60-K64 PolarHBondContact O-N 2.91Å; N60-K64 WeakPolarHBondContact OD1-CE 3.3Å |
| 61 | E | 86.5 | Confident | 86.1 | Confident | 99 Ų | 99 | 100.6 Ų | 100.6 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 175.6 | -73.3 | -161.5 | 133.1 | 0 | 0 | 113 | F57 R58 I59 Q63 K64 | F57-E61 HydrophobicContact CD1-CG 4.24Å; F57-E61 HydrophobicContact CE1-CG 3.76Å; F57-E61 HydrophobicContact CZ-CG 3.98Å; F57-E61 PolarHBondContact O-N 3.44Å; R58-E61 PolarHBondContact O-N 3.27Å; I59-E61 PolarHBondContact O-N 2.84Å; E61-Q63 VanDerWaalsContact C-N 3.32Å; E61-Q63 PolarHBondContact O-N 2.95Å; E61-K64 WeakPolarHBondContact O-CB 3.5Å; E61-K64 PolarHBondContact O-N 2.79Å |
| 62 | H | 79.2 | Confident | 85.9 | Confident | 130 Ų | 130 | 103.5 Ų | 103.5 | 60% | 0.602 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.5 | -31.6 | 177.7 | -68.7 | 78.6 | 0 | 0 | 0 | 111.9 | R58 I59 | R58-H62 PolarHBondContact O-N 3.33Å; R58-H62 PolarHBondContact O-ND1 3.02Å; I59-H62 PolarHBondContact O-N 3Å |
| 63 | Q | 71.5 | Confident | 85.9 | Confident | 140 Ų | 140 | 101.9 Ų | 101.9 | 65% | 0.654 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -77.8 | -16.4 | 175.8 | -75.3 | -177.9 | -5.6 | 0 | 0 | 113.8 | I59 N60 E61 I65 A66 | I59-Q63 HydrophobicContact CG2-CG 4.1Å; I59-Q63 VanDerWaalsContact O-CB 3.3Å; I59-Q63 WeakPolarHBondContact O-CB 3.29Å; I59-Q63 VanDerWaalsContact O-CG 3.3Å; I59-Q63 WeakPolarHBondContact O-CG 3.32Å; I59-Q63 PolarHBondContact O-N 3.06Å; N60-Q63 PolarHBondContact O-N 3.25Å; E61-Q63 VanDerWaalsContact C-N 3.32Å; E61-Q63 PolarHBondContact O-N 2.95Å; Q63-I65 CarbonylContact O-C 3.6Å; Q63-I65 PolarHBondContact O-N 3.41Å; Q63-A66 PolarHBondContact O-N 3.05Å |
| 64 | K | 62 | Low | 85.8 | Confident | 142 Ų | 142 | 105.6 Ų | 105.6 | 62% | 0.617 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -10 | 173.5 | -79.9 | 174.9 | -170.9 | 171.2 | 0 | 113.5 | N60 E61 A66 | N60-K64 WeakPolarHBondContact O-CG 3.32Å; N60-K64 PolarHBondContact O-N 2.91Å; N60-K64 WeakPolarHBondContact OD1-CE 3.3Å; E61-K64 WeakPolarHBondContact O-CB 3.5Å; E61-K64 PolarHBondContact O-N 2.79Å; K64-A66 PolarHBondContact O-N 2.82Å |
| 65 | I | 61 | Low | 85.9 | Confident | 129 Ų | 129 | 108.4 Ų | 108.4 | 66% | 0.662 | 53% | 0.534 | S | S | * | . | trans | -82.7 | 64.5 | 164.1 | -50.6 | 168.3 | 0 | 0 | 0 | 108.2 | Q63 L67 | Q63-I65 CarbonylContact O-C 3.6Å; Q63-I65 PolarHBondContact O-N 3.41Å; I65-L67 VanDerWaalsContact C-N 3.31Å; I65-L67 HydrophobicContact CG2-CD1 4.3Å; I65-L67 PolarHBondContact O-N 2.87Å | ||
| 66 | A | 67.1 | Low | 85.9 | Confident | 86 Ų | 86 | 110.2 Ų | 110.2 | 71% | 0.711 | 55% | 0.546 | S | S | * | . | trans | -67.3 | 100.1 | 157.4 | 0 | 0 | 0 | 0 | 0 | 105.5 | Q63 K64 D68 | Q63-A66 PolarHBondContact O-N 3.05Å; K64-A66 PolarHBondContact O-N 2.82Å; A66-D68 PolarHBondContact O-N 3.26Å | ||
| 67 | L | 72.6 | Confident | 86.1 | Confident | 119 Ų | 119 | 109.2 Ų | 109.2 | 62% | 0.623 | 54% | 0.541 | S | S | * | . | trans | -50.7 | 119.3 | 169.1 | -95.3 | 96.9 | 0 | 0 | 0 | 107.1 | I65 L69 | I65-L67 VanDerWaalsContact C-N 3.31Å; I65-L67 HydrophobicContact CG2-CD1 4.3Å; I65-L67 PolarHBondContact O-N 2.87Å; L67-L69 HydrophobicContact CB-CD2 4.3Å; L67-L69 PolarHBondContact O-N 3.44Å | ||
| 68 | D | 81.9 | Confident | 86.3 | Confident | 98 Ų | 98 | 107.3 Ų | 107.3 | 52% | 0.524 | 54% | 0.536 | S | S | . | . | trans | -65.4 | 102.2 | 172.6 | -178.9 | 12.1 | 0 | 0 | 0 | 107.5 | A66 D70 P71 | A66-D68 PolarHBondContact O-N 3.26Å; D68-D70 VanDerWaalsContact C-N 3.29Å; D68-D70 VanDerWaalsContact OD1-CB 3.25Å; D68-D70 WeakPolarHBondContact OD1-CB 3.21Å; D68-D70 PolarHBondContact OD1-N 3.38Å; D68-P71 WeakPolarHBondContact O-CD 3.33Å; D68-P71 WeakPolarHBondContact OD1-CD 3.25Å; D68-P71 VanDerWaalsContact OD2-CD 3.32Å; D68-P71 WeakPolarHBondContact OD2-CD 3.3Å | ||
| 69 | L | 89.6 | Confident | 86.5 | Confident | 107 Ų | 107 | 103.6 Ų | 103.6 | 56% | 0.56 | 53% | 0.532 | S | S | * | . | trans | -80.8 | -14.3 | 179.3 | -64.5 | -179.3 | 0 | 0 | 0 | 111.2 | L67 Y72 V73 | L67-L69 HydrophobicContact CB-CD2 4.3Å; L67-L69 PolarHBondContact O-N 3.44Å; L69-Y72 WeakPolarHBondContact O-CA 3.36Å; L69-Y72 WeakPolarHBondContact O-CB 3.47Å; L69-Y72 PolarHBondContact O-N 3.39Å; L69-V73 WeakPolarHBondContact O-CG2 3.49Å; L69-V73 PolarHBondContact O-N 2.86Å | ||
| 70 | D | 92.1 | Very high | 86.9 | Confident | 97 Ų | 97 | 107.7 Ų | 107.7 | 52% | 0.519 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.2 | -41.4 | -176.8 | -72.3 | -12.7 | 0 | 0 | 0 | 113.1 | D68 Y72 V73 K74 | D68-D70 VanDerWaalsContact C-N 3.29Å; D68-D70 VanDerWaalsContact OD1-CB 3.25Å; D68-D70 WeakPolarHBondContact OD1-CB 3.21Å; D68-D70 PolarHBondContact OD1-N 3.38Å; D70-Y72 VanDerWaalsContact C-N 3.29Å; D70-Y72 PolarHBondContact O-N 3.03Å; D70-V73 PolarHBondContact O-N 2.89Å; D70-K74 WeakPolarHBondContact O-CB 3.33Å; D70-K74 WeakPolarHBondContact O-CG 3.32Å; D70-K74 PolarHBondContact O-N 3.02Å |
| 71 | P | 94.8 | Very high | 87.4 | Confident | 53 Ų | 53 | 111.6 Ų | 111.6 | 34% | 0.344 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -58.5 | -38.8 | 172.6 | -24.8 | 33.6 | 0 | 0 | 0 | 113 | D68 K75 | D68-P71 WeakPolarHBondContact O-CD 3.33Å; D68-P71 WeakPolarHBondContact OD1-CD 3.25Å; D68-P71 VanDerWaalsContact OD2-CD 3.32Å; D68-P71 WeakPolarHBondContact OD2-CD 3.3Å; P71-K75 VanDerWaalsContact O-CG 3.32Å; P71-K75 WeakPolarHBondContact O-CG 3.32Å; P71-K75 PolarHBondContact O-N 3.45Å |
| 72 | Y | 95 | Very high | 87.9 | Confident | 141 Ų | 141 | 116 Ų | 116 | 55% | 0.553 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -75 | -42 | -179.7 | -66 | -85.2 | 0 | 0 | 0 | 111.6 | L69 D70 K74 K75 L76 | L69-Y72 WeakPolarHBondContact O-CA 3.36Å; L69-Y72 WeakPolarHBondContact O-CB 3.47Å; L69-Y72 PolarHBondContact O-N 3.39Å; D70-Y72 VanDerWaalsContact C-N 3.29Å; D70-Y72 PolarHBondContact O-N 3.03Å; Y72-K74 VanDerWaalsContact C-N 3.32Å; Y72-K74 PolarHBondContact O-N 3.03Å; Y72-K75 PolarHBondContact O-N 2.84Å; Y72-L76 WeakPolarHBondContact O-CB 3.38Å; Y72-L76 PolarHBondContact O-N 3.25Å |
| 73 | V | 96.3 | Very high | 88.9 | Confident | 72 Ų | 72 | 114.5 Ų | 114.5 | 44% | 0.436 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.3 | -44.2 | 172.5 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | L69 D70 K75 L76 L77 | L69-V73 WeakPolarHBondContact O-CG2 3.49Å; L69-V73 PolarHBondContact O-N 2.86Å; D70-V73 PolarHBondContact O-N 2.89Å; V73-K75 PolarHBondContact O-N 3.49Å; V73-L76 PolarHBondContact O-N 3.24Å; V73-L77 HydrophobicContact CG1-CD1 4.1Å; V73-L77 HydrophobicContact CG1-CG 4.4Å; V73-L77 WeakPolarHBondContact O-CB 3.42Å; V73-L77 WeakPolarHBondContact O-CG 3.47Å; V73-L77 PolarHBondContact O-N 3.22Å |
| 74 | K | 97.6 | Very high | 90.1 | Very high | 132 Ų | 132 | 111 Ų | 111 | 57% | 0.574 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.9 | -44.1 | 175 | -75.2 | 169.4 | -174.2 | 168.3 | 0 | 112.1 | D70 Y72 L76 L77 N78 | D70-K74 WeakPolarHBondContact O-CB 3.33Å; D70-K74 WeakPolarHBondContact O-CG 3.32Å; D70-K74 PolarHBondContact O-N 3.02Å; Y72-K74 VanDerWaalsContact C-N 3.32Å; Y72-K74 PolarHBondContact O-N 3.03Å; K74-L76 VanDerWaalsContact C-N 3.35Å; K74-L76 PolarHBondContact O-N 3.5Å; K74-L77 PolarHBondContact O-N 2.9Å; K74-N78 WeakPolarHBondContact O-CB 3.47Å; K74-N78 PolarHBondContact O-N 3.38Å; K74-N78 PolarHBondContact O-ND2 3.45Å |
| 75 | K | 97.4 | Very high | 91.9 | Very high | 139 Ų | 139 | 109.2 Ų | 109.2 | 60% | 0.604 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.9 | -44.5 | 174.8 | -75.8 | 173.5 | -176.7 | 177.9 | 0 | 111.3 | P71 Y72 V73 N78 A79 | P71-K75 VanDerWaalsContact O-CG 3.32Å; P71-K75 WeakPolarHBondContact O-CG 3.32Å; P71-K75 PolarHBondContact O-N 3.45Å; Y72-K75 PolarHBondContact O-N 2.84Å; V73-K75 PolarHBondContact O-N 3.49Å; K75-N78 PolarHBondContact O-N 3.39Å; K75-A79 PolarHBondContact O-N 3.35Å |
| 76 | L | 98.1 | Very high | 93.7 | Very high | 125 Ų | 125 | 107.5 Ų | 107.5 | 65% | 0.654 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65 | -44 | 178.8 | -176 | 62.2 | 0 | 0 | 0 | 112.1 | Y72 V73 K74 N78 A79 R80 | Y72-L76 WeakPolarHBondContact O-CB 3.38Å; Y72-L76 PolarHBondContact O-N 3.25Å; V73-L76 PolarHBondContact O-N 3.24Å; K74-L76 VanDerWaalsContact C-N 3.35Å; K74-L76 PolarHBondContact O-N 3.5Å; L76-N78 VanDerWaalsContact C-N 3.32Å; L76-N78 PolarHBondContact O-N 2.95Å; L76-A79 PolarHBondContact O-N 2.97Å; L76-R80 WeakPolarHBondContact O-CB 3.3Å; L76-R80 PolarHBondContact O-N 3.39Å |
| 77 | L | 98.3 | Very high | 95.2 | Very high | 79 Ų | 79 | 107.1 Ų | 107.1 | 41% | 0.414 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 175.8 | -74.4 | 176 | 0 | 0 | 0 | 111.9 | V73 K74 R80 R81 | V73-L77 HydrophobicContact CG1-CD1 4.1Å; V73-L77 HydrophobicContact CG1-CG 4.4Å; V73-L77 WeakPolarHBondContact O-CB 3.42Å; V73-L77 WeakPolarHBondContact O-CG 3.47Å; V73-L77 PolarHBondContact O-N 3.22Å; K74-L77 PolarHBondContact O-N 2.9Å; L77-R80 PolarHBondContact O-N 2.96Å; L77-R81 VanDerWaalsContact O-CG 3.3Å; L77-R81 WeakPolarHBondContact O-CG 3.41Å; L77-R81 PolarHBondContact O-N 3.44Å |
| 78 | N | 98.4 | Very high | 96.4 | Very high | 78 Ų | 78 | 105 Ų | 105 | 42% | 0.417 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 175.1 | -76.9 | -30.6 | 0 | 0 | 0 | 112 | K74 K75 L76 R81 R82 | K74-N78 WeakPolarHBondContact O-CB 3.47Å; K74-N78 PolarHBondContact O-N 3.38Å; K74-N78 PolarHBondContact O-ND2 3.45Å; K75-N78 PolarHBondContact O-N 3.39Å; L76-N78 VanDerWaalsContact C-N 3.32Å; L76-N78 PolarHBondContact O-N 2.95Å; N78-R81 PolarHBondContact O-N 3.25Å; N78-R81 PolarHBondContact OD1-NH1 3.23Å; N78-R82 WeakPolarHBondContact O-CG 3.49Å; N78-R82 PolarHBondContact O-N 3Å |
| 79 | A | 98.5 | Very high | 97.2 | Very high | 47 Ų | 47 | 105.3 Ų | 105.3 | 39% | 0.388 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.8 | -46.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K75 L76 R81 R82 V83 | K75-A79 PolarHBondContact O-N 3.35Å; L76-A79 PolarHBondContact O-N 2.97Å; A79-R81 PolarHBondContact O-N 2.94Å; A79-R82 PolarHBondContact O-N 3.46Å; A79-R82 VanDerWaalsContact O-N 3.16Å; A79-V83 WeakPolarHBondContact O-CG2 3.36Å; A79-V83 PolarHBondContact O-N 3Å |
| 80 | R | 98.3 | Very high | 97.6 | Very high | 168 Ų | 168 | 104.8 Ų | 104.8 | 63% | 0.634 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -55.9 | -47.3 | 175.7 | -176.7 | -178.6 | -178.2 | -86.4 | 0.1 | 111.9 | L76 L77 R82 V83 V84 | L76-R80 WeakPolarHBondContact O-CB 3.3Å; L76-R80 PolarHBondContact O-N 3.39Å; L77-R80 PolarHBondContact O-N 2.96Å; R80-R82 VanDerWaalsContact C-N 3.34Å; R80-R82 PolarHBondContact O-N 3.46Å; R80-V83 PolarHBondContact O-N 2.93Å; R80-V84 WeakPolarHBondContact O-CG2 3.47Å; R80-V84 PolarHBondContact O-N 3.3Å |
| 81 | R | 98.6 | Very high | 97.9 | Very high | 162 Ų | 162 | 105.1 Ų | 105.1 | 61% | 0.611 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.7 | -44.3 | 177.3 | -72.7 | 170.1 | -175 | 167.2 | -2.6 | 111.8 | L77 N78 A79 V84 L85 | L77-R81 VanDerWaalsContact O-CG 3.3Å; L77-R81 WeakPolarHBondContact O-CG 3.41Å; L77-R81 PolarHBondContact O-N 3.44Å; N78-R81 PolarHBondContact O-N 3.25Å; N78-R81 PolarHBondContact OD1-NH1 3.23Å; A79-R81 PolarHBondContact O-N 2.94Å; R81-V84 PolarHBondContact O-N 2.93Å; R81-L85 PolarHBondContact O-N 3.16Å |
| 82 | R | 98.4 | Very high | 98.1 | Very high | 191 Ų | 191 | 107.6 Ų | 107.6 | 72% | 0.721 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.5 | -43.4 | 177.3 | -71.4 | 178 | -179.4 | -171.3 | -0.1 | 112.1 | N78 A79 R80 V84 L85 V86 | N78-R82 WeakPolarHBondContact O-CG 3.49Å; N78-R82 PolarHBondContact O-N 3Å; A79-R82 PolarHBondContact O-N 3.46Å; A79-R82 VanDerWaalsContact O-N 3.16Å; R80-R82 VanDerWaalsContact C-N 3.34Å; R80-R82 PolarHBondContact O-N 3.46Å; R82-V84 VanDerWaalsContact C-N 3.34Å; R82-V84 PolarHBondContact O-N 3.07Å; R82-L85 WeakPolarHBondContact O-CB 3.4Å; R82-L85 PolarHBondContact O-N 3.44Å; R82-V86 WeakPolarHBondContact O-CG2 3.38Å; R82-V86 PolarHBondContact O-N 3.37Å |
| 83 | V | 98.5 | Very high | 98.3 | Very high | 100 Ų | 100 | 103.3 Ų | 103.3 | 61% | 0.606 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.9 | -45 | 176.4 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | A79 R80 L85 V86 N87 | A79-V83 WeakPolarHBondContact O-CG2 3.36Å; A79-V83 PolarHBondContact O-N 3Å; R80-V83 PolarHBondContact O-N 2.93Å; V83-L85 VanDerWaalsContact C-N 3.34Å; V83-L85 PolarHBondContact O-N 2.86Å; V83-V86 PolarHBondContact O-N 3.09Å; V83-N87 WeakPolarHBondContact O-CB 3.4Å; V83-N87 PolarHBondContact O-N 3.29Å |
| 84 | V | 98.6 | Very high | 98.4 | Very high | 66 Ų | 66 | 103.8 Ų | 103.8 | 40% | 0.4 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 176.6 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | R80 R81 R82 N87 N88 | R80-V84 WeakPolarHBondContact O-CG2 3.47Å; R80-V84 PolarHBondContact O-N 3.3Å; R81-V84 PolarHBondContact O-N 2.93Å; R82-V84 VanDerWaalsContact C-N 3.34Å; R82-V84 PolarHBondContact O-N 3.07Å; V84-N87 PolarHBondContact O-N 3.01Å; V84-N88 PolarHBondContact O-N 3.38Å; V84-N88 PolarHBondContact O-ND2 2.9Å; V84-N88 VanDerWaalsContact O-ND2 3.09Å |
| 85 | L | 98.6 | Very high | 98.4 | Very high | 105 Ų | 105 | 101 Ų | 101 | 55% | 0.55 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.9 | -48 | 176.4 | 179.4 | 64.2 | 0 | 0 | 0 | 111.9 | R81 R82 V83 N87 N88 I89 | R81-L85 PolarHBondContact O-N 3.16Å; R82-L85 WeakPolarHBondContact O-CB 3.4Å; R82-L85 PolarHBondContact O-N 3.44Å; V83-L85 VanDerWaalsContact C-N 3.34Å; V83-L85 PolarHBondContact O-N 2.86Å; L85-N87 VanDerWaalsContact C-N 3.3Å; L85-N87 PolarHBondContact O-N 2.81Å; L85-N88 PolarHBondContact O-N 3.25Å; L85-I89 HydrophobicContact CD1-CD1 4.3Å; L85-I89 HydrophobicContact CG-CD1 4.09Å; L85-I89 WeakPolarHBondContact O-CG1 3.4Å; L85-I89 PolarHBondContact O-N 3.34Å |
| 86 | V | 98.7 | Very high | 98.4 | Very high | 92 Ų | 92 | 103.5 Ų | 103.5 | 56% | 0.558 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.1 | -41.5 | 178.2 | 172 | 0 | 0 | 0 | 0 | 110.9 | R82 V83 I89 L90 | R82-V86 WeakPolarHBondContact O-CG2 3.38Å; R82-V86 PolarHBondContact O-N 3.37Å; V83-V86 PolarHBondContact O-N 3.09Å; V86-I89 PolarHBondContact O-N 3.42Å; V86-L90 WeakPolarHBondContact O-CB 3.46Å; V86-L90 PolarHBondContact O-N 3.07Å |
| 87 | N | 98.4 | Very high | 98.4 | Very high | 78 Ų | 78 | 102.1 Ų | 102.1 | 42% | 0.417 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 176.4 | -168.8 | -33.5 | 0 | 0 | 0 | 111.2 | V83 V84 L85 I89 L90 Q91 | V83-N87 WeakPolarHBondContact O-CB 3.4Å; V83-N87 PolarHBondContact O-N 3.29Å; V84-N87 PolarHBondContact O-N 3.01Å; L85-N87 VanDerWaalsContact C-N 3.3Å; L85-N87 PolarHBondContact O-N 2.81Å; N87-I89 VanDerWaalsContact C-N 3.34Å; N87-I89 PolarHBondContact O-N 3.35Å; N87-L90 PolarHBondContact O-N 2.91Å; N87-Q91 WeakPolarHBondContact O-CG 3.43Å; N87-Q91 PolarHBondContact O-N 3.34Å; N87-Q91 VanDerWaalsContact OD1-CD 3.32Å; N87-Q91 WeakPolarHBondContact OD1-CG 3.44Å; N87-Q91 PolarHBondContact OD1-NE2 3.49Å; N87-Q91 VanDerWaalsContact OD1-NE2 3.1Å |
| 88 | N | 98.4 | Very high | 98.4 | Very high | 76 Ų | 76 | 106 Ų | 106 | 41% | 0.406 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.4 | -43.9 | 176 | -78.8 | -49.6 | 0 | 0 | 0 | 112.4 | V84 L85 N92 | V84-N88 PolarHBondContact O-N 3.38Å; V84-N88 PolarHBondContact O-ND2 2.9Å; V84-N88 VanDerWaalsContact O-ND2 3.09Å; L85-N88 PolarHBondContact O-N 3.25Å; N88-N92 WeakPolarHBondContact O-CB 3.39Å; N88-N92 PolarHBondContact O-N 2.99Å; N88-N92 VanDerWaalsContact O-N 3.07Å; N88-N92 PolarHBondContact O-ND2 2.87Å |
| 89 | I | 98.5 | Very high | 98.4 | Very high | 104 Ų | 104 | 109.5 Ų | 109.5 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 177.5 | -67.8 | 167.2 | 0 | 0 | 0 | 110.3 | L85 V86 N87 N92 A93 | L85-I89 HydrophobicContact CD1-CD1 4.3Å; L85-I89 HydrophobicContact CG-CD1 4.09Å; L85-I89 WeakPolarHBondContact O-CG1 3.4Å; L85-I89 PolarHBondContact O-N 3.34Å; V86-I89 PolarHBondContact O-N 3.42Å; N87-I89 VanDerWaalsContact C-N 3.34Å; N87-I89 PolarHBondContact O-N 3.35Å; I89-N92 PolarHBondContact O-N 3.1Å; I89-A93 WeakPolarHBondContact O-CB 3.38Å; I89-A93 PolarHBondContact O-N 2.86Å |
| 90 | L | 98.6 | Very high | 98.4 | Very high | 95 Ų | 95 | 112 Ų | 112 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | -179.5 | -176 | 63.3 | 0 | 0 | 0 | 111.7 | V86 N87 N92 A93 Q94 | V86-L90 WeakPolarHBondContact O-CB 3.46Å; V86-L90 PolarHBondContact O-N 3.07Å; N87-L90 PolarHBondContact O-N 2.91Å; L90-N92 VanDerWaalsContact C-N 3.34Å; L90-N92 PolarHBondContact O-N 2.92Å; L90-A93 PolarHBondContact O-N 3.19Å; L90-Q94 HydrophobicContact CD1-CG 4.35Å; L90-Q94 HydrophobicContact CG-CG 4.42Å; L90-Q94 WeakPolarHBondContact O-CB 3.34Å; L90-Q94 VanDerWaalsContact O-CG 3.25Å; L90-Q94 WeakPolarHBondContact O-CG 3.4Å; L90-Q94 PolarHBondContact O-N 3.1Å |
| 91 | Q | 98.3 | Very high | 98.3 | Very high | 104 Ų | 104 | 108.5 Ų | 108.5 | 49% | 0.486 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 176.3 | -74.5 | -176.8 | -6.4 | 0 | 0 | 111.6 | N87 A93 Q94 E95 | N87-Q91 WeakPolarHBondContact O-CG 3.43Å; N87-Q91 PolarHBondContact O-N 3.34Å; N87-Q91 VanDerWaalsContact OD1-CD 3.32Å; N87-Q91 WeakPolarHBondContact OD1-CG 3.44Å; N87-Q91 PolarHBondContact OD1-NE2 3.49Å; N87-Q91 VanDerWaalsContact OD1-NE2 3.1Å; Q91-A93 PolarHBondContact O-N 3.45Å; Q91-Q94 PolarHBondContact O-N 2.94Å; Q91-E95 WeakPolarHBondContact O-CB 3.43Å; Q91-E95 PolarHBondContact O-N 3.36Å |
| 92 | N | 98.5 | Very high | 98.3 | Very high | 105 Ų | 105 | 106.9 Ų | 106.9 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.9 | -42.4 | 177.2 | -81.9 | -64.1 | 0 | 0 | 0 | 112.5 | N88 I89 L90 R96 | N88-N92 WeakPolarHBondContact O-CB 3.39Å; N88-N92 PolarHBondContact O-N 2.99Å; N88-N92 VanDerWaalsContact O-N 3.07Å; N88-N92 PolarHBondContact O-ND2 2.87Å; I89-N92 PolarHBondContact O-N 3.1Å; L90-N92 VanDerWaalsContact C-N 3.34Å; L90-N92 PolarHBondContact O-N 2.92Å; N92-R96 WeakPolarHBondContact O-CG 3.25Å; N92-R96 PolarHBondContact O-N 3.27Å; N92-R96 VanDerWaalsContact O-N 3.1Å |
| 93 | A | 98.6 | Very high | 98.3 | Very high | 51 Ų | 51 | 102.5 Ų | 102.5 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I89 L90 Q91 E95 R96 L97 | I89-A93 WeakPolarHBondContact O-CB 3.38Å; I89-A93 PolarHBondContact O-N 2.86Å; L90-A93 PolarHBondContact O-N 3.19Å; Q91-A93 PolarHBondContact O-N 3.45Å; A93-E95 PolarHBondContact O-N 2.97Å; A93-R96 PolarHBondContact O-N 3.42Å; A93-L97 WeakPolarHBondContact O-CB 3.5Å; A93-L97 PolarHBondContact O-N 2.89Å |
| 94 | Q | 98.2 | Very high | 98.2 | Very high | 83 Ų | 83 | 101.5 Ų | 101.5 | 39% | 0.388 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 177.3 | -75.4 | 175.5 | -21.6 | 0 | 0 | 112 | L90 Q91 L97 R98 | L90-Q94 HydrophobicContact CD1-CG 4.35Å; L90-Q94 HydrophobicContact CG-CG 4.42Å; L90-Q94 WeakPolarHBondContact O-CB 3.34Å; L90-Q94 VanDerWaalsContact O-CG 3.25Å; L90-Q94 WeakPolarHBondContact O-CG 3.4Å; L90-Q94 PolarHBondContact O-N 3.1Å; Q91-Q94 PolarHBondContact O-N 2.94Å; Q94-L97 PolarHBondContact O-N 2.79Å; Q94-R98 WeakPolarHBondContact O-CG 3.37Å; Q94-R98 PolarHBondContact O-N 2.93Å |
| 95 | E | 98.4 | Very high | 98.1 | Very high | 73 Ų | 73 | 101.1 Ų | 101.1 | 34% | 0.341 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 178 | 178.4 | 56.6 | -160.6 | 0 | 0 | 111.8 | Q91 A93 L97 R98 R99 | Q91-E95 WeakPolarHBondContact O-CB 3.43Å; Q91-E95 PolarHBondContact O-N 3.36Å; A93-E95 PolarHBondContact O-N 2.97Å; E95-L97 VanDerWaalsContact C-N 3.32Å; E95-L97 PolarHBondContact O-N 3.39Å; E95-R98 PolarHBondContact O-N 3.38Å; E95-R99 WeakPolarHBondContact O-CG 3.44Å; E95-R99 PolarHBondContact O-N 3.28Å; E95-R99 IonicContact OE1-CZ 2.79Å; E95-R99 VanDerWaalsContact OE1-CZ 3.3Å; E95-R99 IonicContact OE1-NE 3.8Å; E95-R99 PolarHBondContact OE1-NE 3.34Å; E95-R99 IonicContact OE1-NH2 3.73Å; E95-R99 PolarHBondContact OE1-NH2 3.48Å |
| 96 | R | 98.2 | Very high | 98 | Very high | 192 Ų | 192 | 103 Ų | 103 | 73% | 0.725 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.5 | -42.3 | 175.2 | -71.8 | 171.9 | 63.9 | -169.6 | -0.1 | 111.9 | N92 A93 R99 L100 | N92-R96 WeakPolarHBondContact O-CG 3.25Å; N92-R96 PolarHBondContact O-N 3.27Å; N92-R96 VanDerWaalsContact O-N 3.1Å; A93-R96 PolarHBondContact O-N 3.42Å; R96-R99 PolarHBondContact O-N 3.02Å; R96-L100 WeakPolarHBondContact O-CB 3.41Å; R96-L100 PolarHBondContact O-N 3.49Å |
| 97 | L | 98.4 | Very high | 97.8 | Very high | 96 Ų | 96 | 102 Ų | 102 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 177.5 | -176.9 | 62.9 | 0 | 0 | 0 | 111.7 | A93 Q94 E95 R99 L100 N101 | A93-L97 WeakPolarHBondContact O-CB 3.5Å; A93-L97 PolarHBondContact O-N 2.89Å; Q94-L97 PolarHBondContact O-N 2.79Å; E95-L97 VanDerWaalsContact C-N 3.32Å; E95-L97 PolarHBondContact O-N 3.39Å; L97-R99 PolarHBondContact O-N 3.39Å; L97-L100 PolarHBondContact O-N 2.94Å; L97-N101 WeakPolarHBondContact O-CB 3.42Å; L97-N101 PolarHBondContact O-N 3.4Å |
| 98 | R | 98.1 | Very high | 97.6 | Very high | 159 Ų | 159 | 101.2 Ų | 101.2 | 60% | 0.6 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.3 | -45.9 | 175.1 | -77.1 | 179 | -177.2 | 139.3 | 1 | 111.7 | Q94 E95 N101 H102 | Q94-R98 WeakPolarHBondContact O-CG 3.37Å; Q94-R98 PolarHBondContact O-N 2.93Å; E95-R98 PolarHBondContact O-N 3.38Å; R98-N101 PolarHBondContact O-N 3.32Å; R98-H102 WeakPolarHBondContact O-CB 3.45Å; R98-H102 PolarHBondContact O-N 2.94Å |
| 99 | R | 97.8 | Very high | 97.4 | Very high | 153 Ų | 153 | 100.2 Ų | 100.2 | 58% | 0.577 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.5 | -43.7 | 176 | -68.5 | 178.6 | -167.8 | -175 | 3.3 | 112.1 | E95 R96 L97 H102 N103 | E95-R99 WeakPolarHBondContact O-CG 3.44Å; E95-R99 PolarHBondContact O-N 3.28Å; E95-R99 IonicContact OE1-CZ 2.79Å; E95-R99 VanDerWaalsContact OE1-CZ 3.3Å; E95-R99 IonicContact OE1-NE 3.8Å; E95-R99 PolarHBondContact OE1-NE 3.34Å; E95-R99 IonicContact OE1-NH2 3.73Å; E95-R99 PolarHBondContact OE1-NH2 3.48Å; R96-R99 PolarHBondContact O-N 3.02Å; L97-R99 PolarHBondContact O-N 3.39Å; R99-H102 PolarHBondContact O-N 3.28Å; R99-N103 VanDerWaalsContact O-CG 3.29Å; R99-N103 PolarHBondContact O-N 2.94Å; R99-N103 PolarHBondContact O-ND2 3.37Å |
| 100 | L | 97.9 | Very high | 97.1 | Very high | 99 Ų | 99 | 102.5 Ų | 102.5 | 52% | 0.518 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -48.4 | 177.5 | -178.9 | 62.2 | 0 | 0 | 0 | 111.4 | R96 L97 H102 N103 V104 | R96-L100 WeakPolarHBondContact O-CB 3.41Å; R96-L100 PolarHBondContact O-N 3.49Å; L97-L100 PolarHBondContact O-N 2.94Å; L100-H102 VanDerWaalsContact C-N 3.3Å; L100-H102 PolarHBondContact O-N 2.88Å; L100-N103 PolarHBondContact O-N 2.86Å; L100-N103 VanDerWaalsContact O-N 3.17Å; L100-V104 HydrophobicContact CD1-CG2 4.29Å; L100-V104 HydrophobicContact CG-CG2 4.45Å; L100-V104 WeakPolarHBondContact O-CG2 3.33Å; L100-V104 PolarHBondContact O-N 2.9Å |
| 101 | N | 97.6 | Very high | 96.7 | Very high | 95 Ų | 95 | 105.1 Ų | 105.1 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59 | -41.9 | 177.1 | -76.6 | -16 | 0 | 0 | 0 | 111.7 | L97 R98 V104 A105 | L97-N101 WeakPolarHBondContact O-CB 3.42Å; L97-N101 PolarHBondContact O-N 3.4Å; R98-N101 PolarHBondContact O-N 3.32Å; N101-V104 PolarHBondContact O-N 3.17Å; N101-A105 WeakPolarHBondContact O-CB 3.34Å; N101-A105 PolarHBondContact O-N 3.38Å |
| 102 | H | 97.7 | Very high | 96.2 | Very high | 128 Ų | 128 | 106.4 Ų | 106.4 | 59% | 0.593 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.7 | -45.4 | 175.3 | -176.2 | 77.6 | 0 | 0 | 0 | 112.1 | R98 R99 L100 A105 K106 | R98-H102 WeakPolarHBondContact O-CB 3.45Å; R98-H102 PolarHBondContact O-N 2.94Å; R99-H102 PolarHBondContact O-N 3.28Å; L100-H102 VanDerWaalsContact C-N 3.3Å; L100-H102 PolarHBondContact O-N 2.88Å; H102-A105 PolarHBondContact O-N 2.84Å; H102-K106 WeakPolarHBondContact O-CB 3.37Å; H102-K106 PolarHBondContact O-N 3.42Å |
| 103 | N | 97.3 | Very high | 95.7 | Very high | 99 Ų | 99 | 105.1 Ų | 105.1 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 177.4 | -71.6 | -22.2 | 0 | 0 | 0 | 112.1 | R99 L100 K106 E107 | R99-N103 VanDerWaalsContact O-CG 3.29Å; R99-N103 PolarHBondContact O-N 2.94Å; R99-N103 PolarHBondContact O-ND2 3.37Å; L100-N103 PolarHBondContact O-N 2.86Å; L100-N103 VanDerWaalsContact O-N 3.17Å; N103-K106 PolarHBondContact O-N 2.9Å; N103-E107 WeakPolarHBondContact O-CB 3.35Å; N103-E107 PolarHBondContact O-N 3.4Å |
| 104 | V | 97.1 | Very high | 95 | Very high | 78 Ų | 78 | 107.8 Ų | 107.8 | 47% | 0.473 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 176.3 | 170 | 0 | 0 | 0 | 0 | 110.8 | L100 N101 E107 T108 | L100-V104 HydrophobicContact CD1-CG2 4.29Å; L100-V104 HydrophobicContact CG-CG2 4.45Å; L100-V104 WeakPolarHBondContact O-CG2 3.33Å; L100-V104 PolarHBondContact O-N 2.9Å; N101-V104 PolarHBondContact O-N 3.17Å; V104-E107 PolarHBondContact O-N 3.38Å; V104-T108 VanDerWaalsContact O-CB 3.24Å; V104-T108 WeakPolarHBondContact O-CB 3.42Å; V104-T108 PolarHBondContact O-N 2.91Å; V104-T108 PolarHBondContact O-OG1 2.93Å |
| 105 | A | 96.2 | Very high | 94.1 | Very high | 58 Ų | 58 | 109.4 Ų | 109.4 | 48% | 0.479 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N101 H102 T108 A109 | N101-A105 WeakPolarHBondContact O-CB 3.34Å; N101-A105 PolarHBondContact O-N 3.38Å; H102-A105 PolarHBondContact O-N 2.84Å; A105-T108 PolarHBondContact O-N 2.7Å; A105-A109 WeakPolarHBondContact O-CB 3.36Å; A105-A109 PolarHBondContact O-N 3.14Å |
| 106 | K | 96.4 | Very high | 93.1 | Very high | 146 Ų | 146 | 112.7 Ų | 112.7 | 64% | 0.635 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.1 | -47.4 | 176.8 | -175.8 | 179.8 | -179.7 | 179.3 | 0 | 112 | H102 N103 A109 R110 | H102-K106 WeakPolarHBondContact O-CB 3.37Å; H102-K106 PolarHBondContact O-N 3.42Å; N103-K106 PolarHBondContact O-N 2.9Å; K106-A109 PolarHBondContact O-N 2.85Å; K106-R110 WeakPolarHBondContact O-CB 3.24Å; K106-R110 PolarHBondContact O-N 3.32Å |
| 107 | E | 94.9 | Very high | 91.9 | Very high | 69 Ų | 69 | 107.8 Ų | 107.8 | 32% | 0.322 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 178.4 | -179.4 | 60.1 | -164.1 | 0 | 0 | 111.7 | N103 V104 R110 R111 | N103-E107 WeakPolarHBondContact O-CB 3.35Å; N103-E107 PolarHBondContact O-N 3.4Å; V104-E107 PolarHBondContact O-N 3.38Å; E107-R110 PolarHBondContact O-N 2.83Å; E107-R111 WeakPolarHBondContact O-CG 3.4Å; E107-R111 PolarHBondContact O-N 3.43Å; E107-R111 IonicContact OE1-CZ 3.38Å; E107-R111 IonicContact OE1-NE 2.84Å; E107-R111 PolarHBondContact OE1-NE 2.92Å; E107-R111 IonicContact OE1-NH2 3.14Å; E107-R111 PolarHBondContact OE1-NH2 3.41Å; E107-R111 VanDerWaalsContact OE1-NH2 3.14Å |
| 108 | T | 95 | Very high | 90.5 | Very high | 63 Ų | 63 | 107.3 Ų | 107.3 | 39% | 0.387 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 175.3 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | V104 A105 R111 K112 | V104-T108 VanDerWaalsContact O-CB 3.24Å; V104-T108 WeakPolarHBondContact O-CB 3.42Å; V104-T108 PolarHBondContact O-N 2.91Å; V104-T108 PolarHBondContact O-OG1 2.93Å; A105-T108 PolarHBondContact O-N 2.7Å; T108-R111 PolarHBondContact O-N 3.39Å; T108-K112 WeakPolarHBondContact O-CG 3.43Å; T108-K112 PolarHBondContact O-N 3.25Å |
| 109 | A | 92.9 | Very high | 88.7 | Confident | 54 Ų | 54 | 102.4 Ų | 102.4 | 45% | 0.446 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A105 K106 R111 K112 T113 | A105-A109 WeakPolarHBondContact O-CB 3.36Å; A105-A109 PolarHBondContact O-N 3.14Å; K106-A109 PolarHBondContact O-N 2.85Å; A109-R111 PolarHBondContact O-N 2.95Å; A109-K112 PolarHBondContact O-N 3.04Å; A109-T113 WeakPolarHBondContact O-CG2 3.46Å; A109-T113 PolarHBondContact O-N 2.93Å; A109-T113 PolarHBondContact O-OG1 3.4Å |
| 110 | R | 92.9 | Very high | 86.8 | Confident | 153 Ų | 153 | 100.5 Ų | 100.5 | 58% | 0.577 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.5 | -43.1 | 176.3 | -174.9 | -175.5 | -178.9 | 177.8 | 2.9 | 112.5 | K106 E107 T113 M114 | K106-R110 WeakPolarHBondContact O-CB 3.24Å; K106-R110 PolarHBondContact O-N 3.32Å; E107-R110 PolarHBondContact O-N 2.83Å; R110-T113 PolarHBondContact O-N 3.45Å; R110-T113 PolarHBondContact O-OG1 3.42Å; R110-M114 HydrophobicContact CG-SD 4.29Å; R110-M114 WeakPolarHBondContact O-CB 3.42Å; R110-M114 WeakPolarHBondContact O-CG 3.23Å; R110-M114 PolarHBondContact O-N 2.99Å |
| 111 | R | 90.9 | Very high | 84.7 | Confident | 149 Ų | 149 | 104.5 Ų | 104.5 | 56% | 0.562 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.9 | -41.3 | 177 | -74.4 | 177.4 | -170.3 | 173.1 | 1.2 | 111.8 | E107 T108 A109 M114 L115 | E107-R111 WeakPolarHBondContact O-CG 3.4Å; E107-R111 PolarHBondContact O-N 3.43Å; E107-R111 IonicContact OE1-CZ 3.38Å; E107-R111 IonicContact OE1-NE 2.84Å; E107-R111 PolarHBondContact OE1-NE 2.92Å; E107-R111 IonicContact OE1-NH2 3.14Å; E107-R111 PolarHBondContact OE1-NH2 3.41Å; E107-R111 VanDerWaalsContact OE1-NH2 3.14Å; T108-R111 PolarHBondContact O-N 3.39Å; A109-R111 PolarHBondContact O-N 2.95Å; R111-M114 PolarHBondContact O-N 2.87Å; R111-L115 WeakPolarHBondContact O-CB 3.33Å; R111-L115 WeakPolarHBondContact O-CD1 3.26Å; R111-L115 VanDerWaalsContact O-CG 3.26Å; R111-L115 WeakPolarHBondContact O-CG 3.48Å; R111-L115 PolarHBondContact O-N 3.43Å |
| 112 | K | 88.1 | Confident | 82.6 | Confident | 131 Ų | 131 | 105.9 Ų | 105.9 | 57% | 0.57 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -58.8 | -49.1 | 174.3 | -74.1 | -177.7 | 179.4 | -172.4 | 0 | 111.3 | T108 A109 M114 L115 E116 | T108-K112 WeakPolarHBondContact O-CG 3.43Å; T108-K112 PolarHBondContact O-N 3.25Å; A109-K112 PolarHBondContact O-N 3.04Å; K112-M114 PolarHBondContact O-N 3.48Å; K112-L115 PolarHBondContact O-N 3.47Å; K112-E116 WeakPolarHBondContact O-CG 3.48Å; K112-E116 PolarHBondContact O-N 2.94Å |
| 113 | T | 88.2 | Confident | 80.3 | Confident | 79 Ų | 79 | 105.2 Ų | 105.2 | 49% | 0.485 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.6 | -36.6 | 179.3 | 59.8 | 0 | 0 | 0 | 0 | 112.9 | A109 R110 E116 A117 | A109-T113 WeakPolarHBondContact O-CG2 3.46Å; A109-T113 PolarHBondContact O-N 2.93Å; A109-T113 PolarHBondContact O-OG1 3.4Å; R110-T113 PolarHBondContact O-N 3.45Å; R110-T113 PolarHBondContact O-OG1 3.42Å; T113-E116 PolarHBondContact O-N 2.94Å; T113-A117 VanDerWaalsContact O-CB 3.23Å; T113-A117 WeakPolarHBondContact O-CB 3.33Å; T113-A117 PolarHBondContact O-N 3.44Å |
| 114 | M | 82.9 | Confident | 78.3 | Confident | 107 Ų | 107 | 112.1 Ų | 112.1 | 53% | 0.527 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.4 | -37.8 | 174.8 | -72.9 | -174.7 | 76.4 | 0 | 0 | 112.7 | R110 R111 K112 A117 S118 | R110-M114 HydrophobicContact CG-SD 4.29Å; R110-M114 WeakPolarHBondContact O-CB 3.42Å; R110-M114 WeakPolarHBondContact O-CG 3.23Å; R110-M114 PolarHBondContact O-N 2.99Å; R111-M114 PolarHBondContact O-N 2.87Å; K112-M114 PolarHBondContact O-N 3.48Å; M114-A117 PolarHBondContact O-N 2.71Å; M114-S118 WeakPolarHBondContact O-CB 3.35Å; M114-S118 PolarHBondContact O-N 2.93Å; M114-S118 PolarHBondContact O-OG 3.32Å |
| 115 | L | 80 | Confident | 76.4 | Confident | 116 Ų | 116 | 113.1 Ų | 113.1 | 61% | 0.607 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.4 | -41 | 175.1 | -74.5 | 164.1 | 0 | 0 | 0 | 111.6 | R111 K112 S118 | R111-L115 WeakPolarHBondContact O-CB 3.33Å; R111-L115 WeakPolarHBondContact O-CD1 3.26Å; R111-L115 VanDerWaalsContact O-CG 3.26Å; R111-L115 WeakPolarHBondContact O-CG 3.48Å; R111-L115 PolarHBondContact O-N 3.43Å; K112-L115 PolarHBondContact O-N 3.47Å; L115-S118 PolarHBondContact O-N 3.26Å |
| 116 | E | 76 | Confident | 74.7 | Confident | 142 Ų | 142 | 116.5 Ų | 116.5 | 66% | 0.664 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.3 | -40.4 | 173 | -72.1 | 172.5 | 178.1 | 0 | 0 | 111.7 | K112 T113 | K112-E116 WeakPolarHBondContact O-CG 3.48Å; K112-E116 PolarHBondContact O-N 2.94Å; T113-E116 PolarHBondContact O-N 2.94Å |
| 117 | A | 73 | Confident | 72.6 | Confident | 89 Ų | 89 | 115.3 Ų | 115.3 | 74% | 0.736 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -73.6 | -25.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | T113 M114 G119 | T113-A117 VanDerWaalsContact O-CB 3.23Å; T113-A117 WeakPolarHBondContact O-CB 3.33Å; T113-A117 PolarHBondContact O-N 3.44Å; M114-A117 PolarHBondContact O-N 2.71Å; A117-G119 PolarHBondContact O-N 3.44Å |
| 118 | S | 70.1 | Confident | 70.4 | Confident | 87 Ų | 87 | 121.1 Ų | 121.1 | 61% | 0.608 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 7.2 | 179.5 | -56.7 | 0 | 0 | 0 | 0 | 113.6 | M114 L115 V120 | M114-S118 WeakPolarHBondContact O-CB 3.35Å; M114-S118 PolarHBondContact O-N 2.93Å; M114-S118 PolarHBondContact O-OG 3.32Å; L115-S118 PolarHBondContact O-N 3.26Å; S118-V120 PolarHBondContact O-N 3.2Å |
| 119 | G | 60.5 | Low | 68.7 | Low | 55 Ų | 55 | 127.2 Ų | 127.2 | 57% | 0.567 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.6 | 17.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | A117 F121 | A117-G119 PolarHBondContact O-N 3.44Å; G119-F121 PolarHBondContact O-N 3.34Å |
| 120 | V | 57.3 | Low | 67.5 | Low | 113 Ų | 113 | 130.9 Ų | 130.9 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | trans | -85 | 25.1 | 175.7 | -168.2 | 0 | 0 | 0 | 0 | 112 | S118 | S118-V120 PolarHBondContact O-N 3.2Š| ||
| 121 | F | 54.3 | Low | 66.1 | Low | 183 Ų | 183 | 129.7 Ų | 129.7 | 80% | 0.803 | 72% | 0.72 | S | S | * | * | trans | -140.3 | 91.8 | 165.6 | -92.6 | -85.2 | 0 | 0 | 0 | 108.9 | G119 P123 | G119-F121 PolarHBondContact O-N 3.34Å; F121-P123 WeakPolarHBondContact O-CD 3.33Å | ||
| 122 | T | 52.5 | Low | 64.7 | Low | 125 Ų | 125 | 128.6 Ų | 128.6 | 77% | 0.767 | 73% | 0.729 | S | S | * | * | trans | -69.4 | 115.1 | 153.3 | 52.3 | 0 | 0 | 0 | 0 | 107.3 | R124 | T122-R124 PolarHBondContact O-N 3.05Š| ||
| 123 | P | 50.4 | Low | 63.4 | Low | 113 Ų | 113 | 128.5 Ų | 128.5 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | trans | -68.2 | 111.2 | 169.2 | 28.9 | -29.2 | 0 | 0 | 0 | 106.4 | F121 S125 | F121-P123 WeakPolarHBondContact O-CD 3.33Å; P123-S125 PolarHBondContact O-N 2.95Å | ||
| 124 | R | 54.5 | Low | 61.8 | Low | 245 Ų | 245 | 131.6 Ų | 131.6 | 93% | 0.925 | 75% | 0.754 | S | S | * | * | trans | -60 | 107.4 | 169.8 | -178.9 | 175.4 | 173.1 | 171.8 | -2.4 | 107.1 | T122 | T122-R124 PolarHBondContact O-N 3.05Š| ||
| 125 | S | 56.8 | Low | 60.4 | Low | 98 Ų | 98 | 133.2 Ų | 133.2 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | trans | -56.4 | 145 | 178.1 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | P123 S127 | P123-S125 PolarHBondContact O-N 2.95Å; S125-S127 PolarHBondContact O-N 3.49Å | ||
| 126 | P | 61.9 | Low | 59 | Low | 130 Ų | 130 | 134.4 Ų | 134.4 | 84% | 0.844 | 78% | 0.78 | S | S | * | * | trans | -77.1 | 114.4 | 172.7 | 31.5 | -28.9 | 0 | 0 | 0 | 108.5 | K128 | P126-K128 PolarHBondContact O-N 3.34Š| ||
| 127 | S | 50.6 | Low | 57.7 | Low | 120 Ų | 120 | 133.8 Ų | 133.8 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -81.9 | 113.3 | 171.6 | 47.6 | 0 | 0 | 0 | 0 | 110.1 | S125 | S125-S127 PolarHBondContact O-N 3.49Š| ||
| 128 | K | 48.7 | Very low | 56.4 | Low | 191 Ų | 191 | 137.6 Ų | 137.6 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | trans | -86.5 | 164.2 | 160 | -110.2 | -177.1 | -179 | -175.6 | 0 | 109.4 | P126 | P126-K128 PolarHBondContact O-N 3.34Š| ||
| 129 | P | 59.6 | Low | 55.2 | Low | 191 Ų | 191 | 142.2 Ų | 142.2 | 100% | 1.24 | 81% | 0.811 | S | S | * | * | cis | -110.1 | 0 | 37.4 | 23.3 | -4.8 | 0 | 0 | 0 | 115.7 |
Retrieved 129 of 129 residues in 55.6 ms
(Link to these results)