| 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 | L | 33.1 | Very low | 35.8 | Very low | 230 Ų | 230 | 167.1 Ų | 167.1 | 100% | 1.204 | 88% | 0.876 | S | S | * | * | 0 | 119.2 | 0 | -94.6 | 138.9 | 0 | 0 | 0 | 107.7 | |||||
| 2 | F | 33.2 | Very low | 35.6 | Very low | 196 Ų | 196 | 158.8 Ų | 158.8 | 86% | 0.86 | 86% | 0.861 | S | S | * | * | trans | -20.7 | 136 | 176.9 | -87 | -104.7 | 0 | 0 | 0 | 118.8 | ||||
| 3 | C | 31.9 | Very low | 36.2 | Very low | 118 Ų | 118 | 153.2 Ų | 153.2 | 80% | 0.797 | 86% | 0.863 | S | S | * | * | -167 | 100.5 | 110.8 | -108 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 4 | C | 42.7 | Very low | 36.1 | Very low | 120 Ų | 120 | 149.9 Ų | 149.9 | 81% | 0.811 | 85% | 0.853 | S | S | * | * | trans | -74.6 | 129.9 | 145.9 | -58 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 5 | L | 38 | Very low | 36.8 | Very low | 170 Ų | 170 | 153.3 Ų | 153.3 | 89% | 0.89 | 85% | 0.854 | S | S | * | * | trans | 178.5 | 127.7 | 159.4 | -93.5 | 170.9 | 0 | 0 | 0 | 105 | ||||
| 6 | G | 33.3 | Very low | 37.2 | Very low | 66 Ų | 66 | 149.1 Ų | 149.1 | 68% | 0.68 | 83% | 0.834 | S | S | * | * | cis | -167.9 | 149.1 | 3.9 | 0 | 0 | 0 | 0 | 0 | 108 | E8 | G6-E8 PolarHBondContact O-N 3.47Š| ||
| 7 | Y | 33.9 | Very low | 37.4 | Very low | 223 Ų | 223 | 153.8 Ų | 153.8 | 88% | 0.875 | 84% | 0.836 | S | S | * | * | trans | -70.9 | 117.4 | 161.8 | -96 | -101.8 | 0 | 0 | 0 | 107.8 | ||||
| 8 | E | 37.2 | Very low | 37.7 | Very low | 192 Ų | 192 | 153.4 Ų | 153.4 | 90% | 0.897 | 83% | 0.827 | S | S | * | * | trans | -125 | 106.8 | 158.5 | -84.7 | -170.8 | 151.2 | 0 | 0 | 108.9 | G6 | G6-E8 PolarHBondContact O-N 3.47Š| ||
| 9 | W | 41.6 | Very low | 38.2 | Very low | 230 Ų | 230 | 148.8 Ų | 148.8 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | trans | -76.9 | 125.9 | 153.3 | -88.5 | 74.5 | 0 | 0 | 0 | 107.3 | ||||
| 10 | L | 34.8 | Very low | 38.6 | Very low | 170 Ų | 170 | 144.1 Ų | 144.1 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -175.2 | 141.5 | 142.7 | -102.5 | 160.8 | 0 | 0 | 0 | 111.8 | ||||
| 11 | S | 34.2 | Very low | 38.6 | Very low | 123 Ų | 123 | 146 Ų | 146 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | 75.2 | 118.2 | 166.5 | -138.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 12 | G | 33.5 | Very low | 39.3 | Very low | 67 Ų | 67 | 139.3 Ų | 139.3 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | cis | 129 | 125.6 | 48.7 | 0 | 0 | 0 | 0 | 0 | 104.7 | C14 | G12-C14 PolarHBondContact O-N 3.08Š| ||
| 13 | G | 43.1 | Very low | 40.1 | Very low | 87 Ų | 87 | 135.5 Ų | 135.5 | 90% | 0.897 | 74% | 0.742 | S | S | * | * | trans | -57.7 | 132.1 | -158 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 14 | C | 35.2 | Very low | 40.7 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 72% | 0.723 | 73% | 0.732 | S | S | * | * | trans | -140.5 | 107.5 | 142.2 | -160.8 | 0 | 0 | 0 | 0 | 107.9 | G12 T16 | G12-C14 PolarHBondContact O-N 3.08Å; C14-T16 VanDerWaalsContact C-N 3.27Å; C14-T16 PolarHBondContact O-N 3.05Å | ||
| 15 | K | 47.1 | Very low | 40.8 | Very low | 200 Ų | 200 | 131.9 Ų | 131.9 | 87% | 0.87 | 71% | 0.708 | S | S | * | * | trans | -67.6 | 86.4 | 172 | -78.2 | 172.7 | 174.9 | 169.2 | 0 | 108.2 | W17 | K15-W17 PolarHBondContact O-N 3.22Š| ||
| 16 | T | 42 | Very low | 40.9 | Very low | 86 Ų | 86 | 129.2 Ų | 129.2 | 53% | 0.528 | 69% | 0.694 | S | S | . | * | trans | -83.1 | 108.9 | 168 | 53.3 | 0 | 0 | 0 | 0 | 108.3 | C14 H18 S19 | C14-T16 VanDerWaalsContact C-N 3.27Å; C14-T16 PolarHBondContact O-N 3.05Å; T16-H18 PolarHBondContact O-N 3.46Å; T16-S19 PolarHBondContact O-N 3.42Å; T16-S19 PolarHBondContact O-OG 3.27Å | ||
| 17 | W | 41.6 | Very low | 41.5 | Very low | 229 Ų | 229 | 128.8 Ų | 128.8 | 87% | 0.867 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.9 | -7.1 | 174.9 | -76 | 78.2 | 0 | 0 | 0 | 115.3 | K15 | K15-W17 PolarHBondContact O-N 3.22Š|
| 18 | H | 42.9 | Very low | 41.9 | Very low | 147 Ų | 147 | 123.7 Ų | 123.7 | 68% | 0.681 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -75.4 | -29.9 | 178.5 | -112.5 | -83.5 | 0 | 0 | 0 | 114.7 | T16 V22 | T16-H18 PolarHBondContact O-N 3.46Å; H18-V22 PolarHBondContact O-N 2.99Å |
| 19 | S | 46.2 | Very low | 42.2 | Very low | 67 Ų | 67 | 121.1 Ų | 121.1 | 47% | 0.469 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -79.3 | -27.5 | -178.3 | 49.9 | 0 | 0 | 0 | 0 | 113.1 | T16 W21 I23 | T16-S19 PolarHBondContact O-N 3.42Å; T16-S19 PolarHBondContact O-OG 3.27Å; S19-W21 VanDerWaalsContact C-N 3.34Å; S19-I23 WeakPolarHBondContact O-CB 3.22Å; S19-I23 WeakPolarHBondContact O-CD1 3.43Å; S19-I23 VanDerWaalsContact O-CG1 3.22Å; S19-I23 WeakPolarHBondContact O-CG1 3.34Å; S19-I23 PolarHBondContact O-N 3.43Å |
| 20 | A | 46.7 | Very low | 42.3 | Very low | 53 Ų | 53 | 117.9 Ų | 117.9 | 44% | 0.438 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -69.1 | -33.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | N24 | A20-N24 VanDerWaalsContact O-CB 3.31Å; A20-N24 WeakPolarHBondContact O-CB 3.39Å; A20-N24 PolarHBondContact O-N 3.04Å |
| 21 | W | 38.4 | Very low | 42.7 | Very low | 184 Ų | 184 | 118 Ų | 118 | 70% | 0.697 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68.4 | -44.1 | 176 | -155.9 | 67.3 | 0 | 0 | 0 | 110.9 | S19 I23 N24 T25 | S19-W21 VanDerWaalsContact C-N 3.34Å; W21-I23 PolarHBondContact O-N 3.33Å; W21-N24 PolarHBondContact O-N 3.06Å; W21-T25 WeakPolarHBondContact O-CB 3.44Å; W21-T25 PolarHBondContact O-N 3.33Å; W21-T25 PolarHBondContact O-OG1 3.47Å |
| 22 | V | 48.4 | Very low | 43.3 | Very low | 91 Ų | 91 | 123.4 Ų | 123.4 | 55% | 0.552 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.4 | -38.2 | 177.8 | 176.9 | 0 | 0 | 0 | 0 | 112.1 | H18 T25 L26 | H18-V22 PolarHBondContact O-N 2.99Å; V22-T25 PolarHBondContact O-N 3.39Å; V22-L26 VanDerWaalsContact O-CB 3.3Å; V22-L26 WeakPolarHBondContact O-CB 3.28Å; V22-L26 PolarHBondContact O-N 3.29Å |
| 23 | I | 49.7 | Very low | 43.8 | Very low | 115 Ų | 115 | 123.3 Ų | 123.3 | 59% | 0.59 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71 | -39.6 | 176.9 | -64.3 | 166.2 | 0 | 0 | 0 | 111.4 | S19 W21 L26 A27 | S19-I23 WeakPolarHBondContact O-CB 3.22Å; S19-I23 WeakPolarHBondContact O-CD1 3.43Å; S19-I23 VanDerWaalsContact O-CG1 3.22Å; S19-I23 WeakPolarHBondContact O-CG1 3.34Å; S19-I23 PolarHBondContact O-N 3.43Å; W21-I23 PolarHBondContact O-N 3.33Å; I23-L26 PolarHBondContact O-N 3.43Å; I23-A27 VanDerWaalsContact O-CB 3.3Å; I23-A27 WeakPolarHBondContact O-CB 3.11Å; I23-A27 PolarHBondContact O-N 2.89Å |
| 24 | N | 44.4 | Very low | 43.9 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 60% | 0.604 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -70.6 | -33.8 | 174.4 | -84.7 | -22.6 | 0 | 0 | 0 | 112.5 | A20 W21 L26 A27 D28 | A20-N24 VanDerWaalsContact O-CB 3.31Å; A20-N24 WeakPolarHBondContact O-CB 3.39Å; A20-N24 PolarHBondContact O-N 3.04Å; W21-N24 PolarHBondContact O-N 3.06Å; N24-L26 VanDerWaalsContact C-N 3.33Å; N24-A27 PolarHBondContact O-N 3.03Å; N24-D28 WeakPolarHBondContact O-CB 3.27Å; N24-D28 PolarHBondContact O-N 3.41Å |
| 25 | T | 44 | Very low | 44.5 | Very low | 49 Ų | 49 | 127.7 Ų | 127.7 | 30% | 0.301 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -70.2 | -34.1 | 175.4 | -41 | 0 | 0 | 0 | 0 | 110.8 | W21 V22 H29 | W21-T25 WeakPolarHBondContact O-CB 3.44Å; W21-T25 PolarHBondContact O-N 3.33Å; W21-T25 PolarHBondContact O-OG1 3.47Å; V22-T25 PolarHBondContact O-N 3.39Å; T25-H29 WeakPolarHBondContact O-CB 3.34Å; T25-H29 VanDerWaalsContact O-CG 3.29Å; T25-H29 PolarHBondContact O-N 3Å; T25-H29 VanDerWaalsContact O-N 3.09Å; T25-H29 PolarHBondContact O-ND1 3.35Å |
| 26 | L | 41.5 | Very low | 44.4 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 60% | 0.602 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -72.6 | -36.8 | 173.7 | -167.3 | 70.1 | 0 | 0 | 0 | 112.4 | V22 I23 N24 H30 | V22-L26 VanDerWaalsContact O-CB 3.3Å; V22-L26 WeakPolarHBondContact O-CB 3.28Å; V22-L26 PolarHBondContact O-N 3.29Å; I23-L26 PolarHBondContact O-N 3.43Å; N24-L26 VanDerWaalsContact C-N 3.33Å; L26-H30 PolarHBondContact O-CD2 3.45Å; L26-H30 PolarHBondContact O-N 3.05Å |
| 27 | A | 44.7 | Very low | 44.6 | Very low | 57 Ų | 57 | 126.9 Ų | 126.9 | 47% | 0.471 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -70.8 | -35 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I23 N24 H29 H30 | I23-A27 VanDerWaalsContact O-CB 3.3Å; I23-A27 WeakPolarHBondContact O-CB 3.11Å; I23-A27 PolarHBondContact O-N 2.89Å; N24-A27 PolarHBondContact O-N 3.03Å; A27-H29 VanDerWaalsContact C-N 3.34Å; A27-H30 PolarHBondContact O-N 2.95Å |
| 28 | D | 42.5 | Very low | 44.6 | Very low | 116 Ų | 116 | 118.5 Ų | 118.5 | 62% | 0.62 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -75.2 | -25.4 | 177.8 | -158.4 | 56.1 | 0 | 0 | 0 | 112 | N24 H31 | N24-D28 WeakPolarHBondContact O-CB 3.27Å; N24-D28 PolarHBondContact O-N 3.41Å; D28-H31 PolarHBondContact O-N 3.45Å |
| 29 | H | 42.9 | Very low | 45.3 | Very low | 137 Ų | 137 | 115.7 Ų | 115.7 | 63% | 0.634 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -80.8 | -11.8 | 173.3 | -76.9 | 27.7 | 0 | 0 | 0 | 114.3 | T25 A27 H31 | T25-H29 WeakPolarHBondContact O-CB 3.34Å; T25-H29 VanDerWaalsContact O-CG 3.29Å; T25-H29 PolarHBondContact O-N 3Å; T25-H29 VanDerWaalsContact O-N 3.09Å; T25-H29 PolarHBondContact O-ND1 3.35Å; A27-H29 VanDerWaalsContact C-N 3.34Å; H29-H31 VanDerWaalsContact C-N 3.25Å; H29-H31 PolarHBondContact O-N 3.48Å |
| 30 | H | 43.8 | Very low | 45.8 | Very low | 162 Ų | 162 | 117 Ų | 117 | 75% | 0.75 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -1.1 | 170.6 | -94.1 | -72.9 | 0 | 0 | 0 | 113.7 | L26 A27 | L26-H30 PolarHBondContact O-CD2 3.45Å; L26-H30 PolarHBondContact O-N 3.05Å; A27-H30 PolarHBondContact O-N 2.95Å |
| 31 | H | 43.6 | Very low | 46 | Very low | 172 Ų | 172 | 123.3 Ų | 123.3 | 80% | 0.796 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | 7.9 | -176.9 | -113.9 | -56 | 0 | 0 | 0 | 115.9 | D28 H29 | D28-H31 PolarHBondContact O-N 3.45Å; H29-H31 VanDerWaalsContact C-N 3.25Å; H29-H31 PolarHBondContact O-N 3.48Å |
| 32 | R | 48.1 | Very low | 47 | Very low | 237 Ų | 237 | 119.5 Ų | 119.5 | 89% | 0.894 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -131.3 | 94.2 | 176.4 | -96.8 | 179.3 | 159.9 | 177.1 | -4.5 | 111.4 | ||
| 33 | G | 43 | Very low | 47.6 | Very low | 66 Ų | 66 | 122 Ų | 122 | 68% | 0.68 | 66% | 0.656 | S | S | * | * | trans | 147.8 | 52.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 34 | T | 45 | Very low | 48.1 | Very low | 134 Ų | 134 | 120.3 Ų | 120.3 | 82% | 0.822 | 65% | 0.651 | S | S | * | * | trans | -132.4 | 44.2 | 151.8 | 46.7 | 0 | 0 | 0 | 0 | 111 | F36 | T34-F36 PolarHBondContact O-N 3.39Š| ||
| 35 | D | 48.2 | Very low | 48.9 | Very low | 151 Ų | 151 | 119.3 Ų | 119.3 | 81% | 0.807 | 64% | 0.644 | S | S | * | * | trans | -76.5 | 59.7 | 161.8 | -69.2 | -42.9 | 0 | 0 | 0 | 110.3 | ||||
| 36 | F | 44.8 | Very low | 49.8 | Very low | 215 Ų | 215 | 122.5 Ų | 122.5 | 94% | 0.943 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -163.4 | 98 | 158.3 | -91.5 | -70 | 0 | 0 | 0 | 108.8 | T34 | T34-F36 PolarHBondContact O-N 3.39Š|
| 37 | G | 46.8 | Very low | 50.5 | Low | 54 Ų | 54 | 119.3 Ų | 119.3 | 56% | 0.557 | 65% | 0.649 | S | S | * | * | trans | 108.2 | 46.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 38 | G | 41.5 | Very low | 51.1 | Low | 54 Ų | 54 | 123.9 Ų | 123.9 | 56% | 0.557 | 66% | 0.658 | S | S | * | * | trans | -48.2 | 156.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P40 W41 | G38-P40 VanDerWaalsContact C-N 3.27Å; G38-P40 WeakPolarHBondContact O-CD 3.29Å; G38-W41 PolarHBondContact O-N 3.32Å | ||
| 39 | S | 56.5 | Low | 52 | Low | 88 Ų | 88 | 120.5 Ų | 120.5 | 62% | 0.615 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -40.4 | -20.6 | -171 | -63 | 0 | 0 | 0 | 0 | 120.1 | H43 | S39-H43 PolarHBondContact O-CD2 3.45Š|
| 40 | P | 56.4 | Low | 52.8 | Low | 95 Ų | 95 | 118 Ų | 118 | 62% | 0.617 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.8 | -38.2 | 174.8 | -27.3 | 37 | 0 | 0 | 0 | 115 | G38 H43 V44 | G38-P40 VanDerWaalsContact C-N 3.27Å; G38-P40 WeakPolarHBondContact O-CD 3.29Å; P40-H43 PolarHBondContact O-N 2.88Å; P40-V44 WeakPolarHBondContact O-CG2 3.45Å; P40-V44 PolarHBondContact O-N 3.3Å |
| 41 | W | 52.6 | Low | 53.8 | Low | 184 Ų | 184 | 113.6 Ų | 113.6 | 70% | 0.697 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72.9 | -34.4 | -173.9 | -105.9 | 82 | 0 | 0 | 0 | 113 | G38 V44 I45 | G38-W41 PolarHBondContact O-N 3.32Å; W41-V44 PolarHBondContact O-N 3.47Å; W41-I45 HydrophobicContact CE3-CD1 3.96Å; W41-I45 HydrophobicContact CE3-CG1 4.18Å; W41-I45 WeakPolarHBondContact O-CB 3.49Å; W41-I45 WeakPolarHBondContact O-CD1 3.31Å; W41-I45 WeakPolarHBondContact O-CG1 3.46Å; W41-I45 PolarHBondContact O-N 2.98Å |
| 42 | L | 58.7 | Low | 55.3 | Low | 104 Ų | 104 | 110.6 Ų | 110.6 | 55% | 0.545 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.5 | -38.2 | 173.7 | -73.9 | 169.7 | 0 | 0 | 0 | 111.9 | V44 I45 I46 | L42-V44 VanDerWaalsContact C-N 3.32Å; L42-V44 PolarHBondContact O-N 3.05Å; L42-I45 PolarHBondContact O-N 3.13Å; L42-I46 WeakPolarHBondContact O-CB 3.44Å; L42-I46 VanDerWaalsContact O-CG1 3.3Å; L42-I46 WeakPolarHBondContact O-CG1 3.02Å; L42-I46 PolarHBondContact O-N 3.41Å |
| 43 | H | 59.9 | Low | 56.6 | Low | 144 Ų | 144 | 105.1 Ų | 105.1 | 67% | 0.667 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.4 | -41 | 170.7 | -90.5 | -81.1 | 0 | 0 | 0 | 111.5 | S39 P40 I46 A47 | S39-H43 PolarHBondContact O-CD2 3.45Å; P40-H43 PolarHBondContact O-N 2.88Å; H43-I46 PolarHBondContact O-N 2.78Å; H43-A47 WeakPolarHBondContact O-CA 3.37Å; H43-A47 WeakPolarHBondContact O-CB 3.45Å; H43-A47 PolarHBondContact O-N 3.47Å |
| 44 | V | 61 | Low | 58.1 | Low | 80 Ų | 80 | 105.8 Ų | 105.8 | 49% | 0.485 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.1 | -46.6 | 173.6 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | P40 W41 L42 I46 A47 F48 | P40-V44 WeakPolarHBondContact O-CG2 3.45Å; P40-V44 PolarHBondContact O-N 3.3Å; W41-V44 PolarHBondContact O-N 3.47Å; L42-V44 VanDerWaalsContact C-N 3.32Å; L42-V44 PolarHBondContact O-N 3.05Å; V44-I46 VanDerWaalsContact C-N 3.28Å; V44-I46 PolarHBondContact O-N 2.87Å; V44-A47 PolarHBondContact O-N 3.13Å; V44-F48 WeakPolarHBondContact O-CB 3.12Å; V44-F48 PolarHBondContact O-N 3.03Å |
| 45 | I | 61.9 | Low | 59.7 | Low | 92 Ų | 92 | 103.9 Ų | 103.9 | 47% | 0.472 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.2 | -28.3 | 179.8 | -67.3 | 161.4 | 0 | 0 | 0 | 112.6 | W41 L42 P49 | W41-I45 HydrophobicContact CE3-CD1 3.96Å; W41-I45 HydrophobicContact CE3-CG1 4.18Å; W41-I45 WeakPolarHBondContact O-CB 3.49Å; W41-I45 WeakPolarHBondContact O-CD1 3.31Å; W41-I45 WeakPolarHBondContact O-CG1 3.46Å; W41-I45 PolarHBondContact O-N 2.98Å; L42-I45 PolarHBondContact O-N 3.13Å; I45-P49 WeakPolarHBondContact O-CD 3.18Å; I45-P49 WeakPolarHBondContact O-CG 3.4Å |
| 46 | I | 61.3 | Low | 61.4 | Low | 115 Ų | 115 | 100.6 Ų | 100.6 | 59% | 0.59 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -92.1 | -36.7 | 178 | -63.5 | 167.3 | 0 | 0 | 0 | 112.2 | L42 H43 V44 P49 T50 | L42-I46 WeakPolarHBondContact O-CB 3.44Å; L42-I46 VanDerWaalsContact O-CG1 3.3Å; L42-I46 WeakPolarHBondContact O-CG1 3.02Å; L42-I46 PolarHBondContact O-N 3.41Å; H43-I46 PolarHBondContact O-N 2.78Å; V44-I46 VanDerWaalsContact C-N 3.28Å; V44-I46 PolarHBondContact O-N 2.87Å; I46-P49 WeakPolarHBondContact O-CD 3.27Å; I46-T50 PolarHBondContact O-OG1 2.9Å |
| 47 | A | 57.3 | Low | 63 | Low | 49 Ų | 49 | 94.3 Ų | 94.3 | 41% | 0.405 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -72.8 | -38.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | H43 V44 T50 S51 | H43-A47 WeakPolarHBondContact O-CA 3.37Å; H43-A47 WeakPolarHBondContact O-CB 3.45Å; H43-A47 PolarHBondContact O-N 3.47Å; V44-A47 PolarHBondContact O-N 3.13Å; A47-T50 PolarHBondContact O-N 3.5Å; A47-T50 VanDerWaalsContact O-N 3.16Å; A47-S51 WeakPolarHBondContact O-CB 3.29Å; A47-S51 PolarHBondContact O-N 2.91Å; A47-S51 PolarHBondContact O-OG 3.41Å |
| 48 | F | 57 | Low | 64.7 | Low | 152 Ų | 152 | 97 Ų | 97 | 67% | 0.667 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62 | -39.9 | -178.7 | -152.7 | -90.4 | 0 | 0 | 0 | 112.3 | V44 T50 Y52 | V44-F48 WeakPolarHBondContact O-CB 3.12Å; V44-F48 PolarHBondContact O-N 3.03Å; F48-T50 PolarHBondContact O-N 2.97Å; F48-Y52 WeakPolarHBondContact O-CD1 3.37Å; F48-Y52 PolarHBondContact O-N 2.92Å |
| 49 | P | 60.7 | Low | 66.8 | Low | 45 Ų | 45 | 102.4 Ų | 102.4 | 29% | 0.292 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 171.3 | -28.3 | 35.9 | 0 | 0 | 0 | 115.6 | I45 I46 Y52 K53 | I45-P49 WeakPolarHBondContact O-CD 3.18Å; I45-P49 WeakPolarHBondContact O-CG 3.4Å; I46-P49 WeakPolarHBondContact O-CD 3.27Å; P49-Y52 HydrophobicContact CB-CD1 4.22Å; P49-Y52 HydrophobicContact CB-CE1 3.68Å; P49-Y52 HydrophobicContact CG-CE1 4.37Å; P49-Y52 VanDerWaalsContact O-CD1 3.31Å; P49-Y52 WeakPolarHBondContact O-CD1 3.39Å; P49-Y52 WeakPolarHBondContact O-CE1 3.46Å; P49-K53 VanDerWaalsContact O-CG 3.29Å; P49-K53 WeakPolarHBondContact O-CG 3.27Å; P49-K53 PolarHBondContact O-N 3.25Å; P49-K53 VanDerWaalsContact O-N 3.14Å |
| 50 | T | 60 | Low | 68.3 | Low | 85 Ų | 85 | 102 Ų | 102 | 52% | 0.521 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.7 | -42.6 | -177.4 | -51.6 | 0 | 0 | 0 | 0 | 109.9 | I46 A47 F48 K53 V54 | I46-T50 PolarHBondContact O-OG1 2.9Å; A47-T50 PolarHBondContact O-N 3.5Å; A47-T50 VanDerWaalsContact O-N 3.16Å; F48-T50 PolarHBondContact O-N 2.97Å; T50-K53 PolarHBondContact O-N 2.9Å; T50-V54 VanDerWaalsContact O-CG2 3.31Å; T50-V54 WeakPolarHBondContact O-CG2 3.18Å; T50-V54 PolarHBondContact O-N 2.93Å; T50-V54 VanDerWaalsContact O-N 3.08Å |
| 51 | S | 65.9 | Low | 69.9 | Low | 69 Ų | 69 | 101.3 Ų | 101.3 | 48% | 0.483 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 175.8 | -65.2 | 0 | 0 | 0 | 0 | 112.4 | A47 K53 V54 V55 | A47-S51 WeakPolarHBondContact O-CB 3.29Å; A47-S51 PolarHBondContact O-N 2.91Å; A47-S51 PolarHBondContact O-OG 3.41Å; S51-K53 VanDerWaalsContact C-N 3.31Å; S51-K53 PolarHBondContact O-N 3.43Å; S51-V54 PolarHBondContact O-N 3.29Å; S51-V55 VanDerWaalsContact O-CG2 3.3Å; S51-V55 WeakPolarHBondContact O-CG2 3.2Å; S51-V55 PolarHBondContact O-N 3.09Å |
| 52 | Y | 75.3 | Confident | 71.5 | Confident | 109 Ų | 109 | 100.3 Ų | 100.3 | 43% | 0.427 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 176.8 | 86.1 | -118.2 | 0 | 0 | 0 | 111.2 | F48 P49 V54 V55 I56 | F48-Y52 WeakPolarHBondContact O-CD1 3.37Å; F48-Y52 PolarHBondContact O-N 2.92Å; P49-Y52 HydrophobicContact CB-CD1 4.22Å; P49-Y52 HydrophobicContact CB-CE1 3.68Å; P49-Y52 HydrophobicContact CG-CE1 4.37Å; P49-Y52 VanDerWaalsContact O-CD1 3.31Å; P49-Y52 WeakPolarHBondContact O-CD1 3.39Å; P49-Y52 WeakPolarHBondContact O-CE1 3.46Å; Y52-V54 VanDerWaalsContact C-N 3.28Å; Y52-V54 PolarHBondContact O-N 2.99Å; Y52-V55 PolarHBondContact O-N 3.36Å; Y52-I56 HydrophobicContact CD2-CD1 3.64Å; Y52-I56 HydrophobicContact CD2-CG1 4.5Å; Y52-I56 HydrophobicContact CE2-CD1 4.3Å; Y52-I56 WeakPolarHBondContact O-CB 3.3Å; Y52-I56 VanDerWaalsContact O-CG1 3.22Å; Y52-I56 WeakPolarHBondContact O-CG1 3.47Å; Y52-I56 PolarHBondContact O-N 2.79Å |
| 53 | K | 75.3 | Confident | 72.9 | Confident | 123 Ų | 123 | 99.9 Ų | 99.9 | 54% | 0.535 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 178.4 | -76.4 | -178.8 | -178.2 | 178.1 | 0 | 110.8 | P49 T50 S51 T57 | P49-K53 VanDerWaalsContact O-CG 3.29Å; P49-K53 WeakPolarHBondContact O-CG 3.27Å; P49-K53 PolarHBondContact O-N 3.25Å; P49-K53 VanDerWaalsContact O-N 3.14Å; T50-K53 PolarHBondContact O-N 2.9Å; S51-K53 VanDerWaalsContact C-N 3.31Å; S51-K53 PolarHBondContact O-N 3.43Å; K53-T57 VanDerWaalsContact O-CB 3.25Å; K53-T57 WeakPolarHBondContact O-CB 3.39Å; K53-T57 PolarHBondContact O-N 2.94Å; K53-T57 PolarHBondContact O-OG1 3.46Å |
| 54 | V | 75 | Confident | 74.1 | Confident | 79 Ų | 79 | 100.7 Ų | 100.7 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.2 | -46.8 | 176.7 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | T50 S51 Y52 T57 L58 | T50-V54 VanDerWaalsContact O-CG2 3.31Å; T50-V54 WeakPolarHBondContact O-CG2 3.18Å; T50-V54 PolarHBondContact O-N 2.93Å; T50-V54 VanDerWaalsContact O-N 3.08Å; S51-V54 PolarHBondContact O-N 3.29Å; Y52-V54 VanDerWaalsContact C-N 3.28Å; Y52-V54 PolarHBondContact O-N 2.99Å; V54-T57 PolarHBondContact O-N 3.3Å; V54-L58 HydrophobicContact CG1-CD1 3.83Å; V54-L58 HydrophobicContact CG1-CG 4.34Å; V54-L58 WeakPolarHBondContact O-CB 3.44Å; V54-L58 VanDerWaalsContact O-CG 3.27Å; V54-L58 WeakPolarHBondContact O-CG 3.4Å; V54-L58 PolarHBondContact O-N 2.92Å |
| 55 | V | 78.6 | Confident | 75.2 | Confident | 95 Ų | 95 | 100.9 Ų | 100.9 | 58% | 0.576 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.2 | -45.7 | 179.4 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | S51 Y52 T57 L58 W59 | S51-V55 VanDerWaalsContact O-CG2 3.3Å; S51-V55 WeakPolarHBondContact O-CG2 3.2Å; S51-V55 PolarHBondContact O-N 3.09Å; Y52-V55 PolarHBondContact O-N 3.36Å; V55-T57 VanDerWaalsContact C-N 3.33Å; V55-T57 PolarHBondContact O-N 2.84Å; V55-L58 PolarHBondContact O-N 3.25Å; V55-W59 WeakPolarHBondContact O-CB 3.26Å; V55-W59 PolarHBondContact O-N 2.91Å |
| 56 | I | 82.9 | Confident | 76.1 | Confident | 82 Ų | 82 | 98.5 Ų | 98.5 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 176 | -68.3 | 176.5 | 0 | 0 | 0 | 110.3 | Y52 L58 W59 I60 | Y52-I56 HydrophobicContact CD2-CD1 3.64Å; Y52-I56 HydrophobicContact CD2-CG1 4.5Å; Y52-I56 HydrophobicContact CE2-CD1 4.3Å; Y52-I56 WeakPolarHBondContact O-CB 3.3Å; Y52-I56 VanDerWaalsContact O-CG1 3.22Å; Y52-I56 WeakPolarHBondContact O-CG1 3.47Å; Y52-I56 PolarHBondContact O-N 2.79Å; I56-L58 PolarHBondContact O-N 2.94Å; I56-W59 PolarHBondContact O-N 2.91Å; I56-I60 HydrophobicContact CG2-CD1 3.71Å; I56-I60 HydrophobicContact CG2-CG1 4.36Å; I56-I60 WeakPolarHBondContact O-CB 3.25Å; I56-I60 VanDerWaalsContact O-CG1 3.24Å; I56-I60 WeakPolarHBondContact O-CG1 3.2Å; I56-I60 PolarHBondContact O-N 2.75Å |
| 57 | T | 79.4 | Confident | 76.9 | Confident | 82 Ų | 82 | 97.3 Ų | 97.3 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 178.2 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | K53 V54 V55 W59 I60 V61 | K53-T57 VanDerWaalsContact O-CB 3.25Å; K53-T57 WeakPolarHBondContact O-CB 3.39Å; K53-T57 PolarHBondContact O-N 2.94Å; K53-T57 PolarHBondContact O-OG1 3.46Å; V54-T57 PolarHBondContact O-N 3.3Å; V55-T57 VanDerWaalsContact C-N 3.33Å; V55-T57 PolarHBondContact O-N 2.84Å; T57-W59 PolarHBondContact O-N 3.29Å; T57-I60 PolarHBondContact O-N 3.44Å; T57-V61 VanDerWaalsContact O-CG2 3.3Å; T57-V61 WeakPolarHBondContact O-CG2 3.48Å; T57-V61 PolarHBondContact O-N 3.37Å |
| 58 | L | 81.9 | Confident | 78.1 | Confident | 111 Ų | 111 | 99.7 Ų | 99.7 | 58% | 0.581 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63 | -41 | 176.2 | -73 | 171.7 | 0 | 0 | 0 | 111.7 | V54 V55 I56 V61 Y62 | V54-L58 HydrophobicContact CG1-CD1 3.83Å; V54-L58 HydrophobicContact CG1-CG 4.34Å; V54-L58 WeakPolarHBondContact O-CB 3.44Å; V54-L58 VanDerWaalsContact O-CG 3.27Å; V54-L58 WeakPolarHBondContact O-CG 3.4Å; V54-L58 PolarHBondContact O-N 2.92Å; V55-L58 PolarHBondContact O-N 3.25Å; I56-L58 PolarHBondContact O-N 2.94Å; L58-V61 PolarHBondContact O-N 3.5Å; L58-Y62 VanDerWaalsContact O-CB 3.23Å; L58-Y62 WeakPolarHBondContact O-CB 3.29Å; L58-Y62 PolarHBondContact O-N 3.46Å |
| 59 | W | 84.9 | Confident | 78.9 | Confident | 168 Ų | 168 | 100 Ų | 100 | 64% | 0.636 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.1 | -41.6 | 176.7 | -172.8 | 60.4 | 0 | 0 | 0 | 112.1 | V55 I56 T57 Y62 L63 | V55-W59 WeakPolarHBondContact O-CB 3.26Å; V55-W59 PolarHBondContact O-N 2.91Å; I56-W59 PolarHBondContact O-N 2.91Å; T57-W59 PolarHBondContact O-N 3.29Å; W59-Y62 PolarHBondContact O-N 3Å; W59-L63 VanDerWaalsContact O-CB 3.29Å; W59-L63 WeakPolarHBondContact O-CB 3.4Å; W59-L63 PolarHBondContact O-N 3.11Å |
| 60 | I | 88.3 | Confident | 79.3 | Confident | 78 Ų | 78 | 102.1 Ų | 102.1 | 40% | 0.4 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 174.6 | -69.8 | 167.2 | 0 | 0 | 0 | 110.4 | I56 T57 Y62 L63 W64 | I56-I60 HydrophobicContact CG2-CD1 3.71Å; I56-I60 HydrophobicContact CG2-CG1 4.36Å; I56-I60 WeakPolarHBondContact O-CB 3.25Å; I56-I60 VanDerWaalsContact O-CG1 3.24Å; I56-I60 WeakPolarHBondContact O-CG1 3.2Å; I56-I60 PolarHBondContact O-N 2.75Å; T57-I60 PolarHBondContact O-N 3.44Å; I60-Y62 VanDerWaalsContact C-N 3.32Å; I60-Y62 PolarHBondContact O-N 3.31Å; I60-L63 PolarHBondContact O-N 3.2Å; I60-W64 WeakPolarHBondContact O-CB 3.35Å; I60-W64 VanDerWaalsContact O-CD1 3.3Å; I60-W64 PolarHBondContact O-N 3.18Å |
| 61 | V | 89.2 | Confident | 79.9 | Confident | 81 Ų | 81 | 102.4 Ų | 102.4 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 178.1 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | T57 L58 W64 V65 | T57-V61 VanDerWaalsContact O-CG2 3.3Å; T57-V61 WeakPolarHBondContact O-CG2 3.48Å; T57-V61 PolarHBondContact O-N 3.37Å; L58-V61 PolarHBondContact O-N 3.5Å; V61-W64 PolarHBondContact O-N 3.45Å; V61-V65 HydrophobicContact CG1-CG2 4.31Å; V61-V65 WeakPolarHBondContact O-CB 3.34Å; V61-V65 VanDerWaalsContact O-CG2 3.29Å; V61-V65 WeakPolarHBondContact O-CG2 3.33Å; V61-V65 PolarHBondContact O-N 3.1Å |
| 62 | Y | 87.4 | Confident | 79.6 | Confident | 163 Ų | 163 | 105 Ų | 105 | 64% | 0.639 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.3 | -44.1 | 177.1 | -179.5 | -99.1 | 0 | 0 | 0 | 112.4 | L58 W59 I60 W64 V65 S66 | L58-Y62 VanDerWaalsContact O-CB 3.23Å; L58-Y62 WeakPolarHBondContact O-CB 3.29Å; L58-Y62 PolarHBondContact O-N 3.46Å; W59-Y62 PolarHBondContact O-N 3Å; I60-Y62 VanDerWaalsContact C-N 3.32Å; I60-Y62 PolarHBondContact O-N 3.31Å; Y62-W64 VanDerWaalsContact C-N 3.34Å; Y62-W64 PolarHBondContact O-N 3.33Å; Y62-V65 PolarHBondContact O-N 2.92Å; Y62-S66 VanDerWaalsContact O-CB 3.27Å; Y62-S66 WeakPolarHBondContact O-CB 3.29Å; Y62-S66 PolarHBondContact O-N 3.25Å; Y62-S66 PolarHBondContact O-OG 3.26Å |
| 63 | L | 87.4 | Confident | 78.6 | Confident | 95 Ų | 95 | 110.3 Ų | 110.3 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 176.5 | -169.7 | 71.9 | 0 | 0 | 0 | 111 | W59 I60 S66 L67 | W59-L63 VanDerWaalsContact O-CB 3.29Å; W59-L63 WeakPolarHBondContact O-CB 3.4Å; W59-L63 PolarHBondContact O-N 3.11Å; I60-L63 PolarHBondContact O-N 3.2Å; L63-S66 PolarHBondContact O-N 2.91Å; L63-L67 VanDerWaalsContact O-CB 3.29Å; L63-L67 WeakPolarHBondContact O-CB 3.35Å; L63-L67 PolarHBondContact O-N 2.94Å |
| 64 | W | 86.4 | Confident | 77.5 | Confident | 161 Ų | 161 | 107.8 Ų | 107.8 | 61% | 0.61 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.4 | -47.5 | 175.6 | -93.1 | 89.3 | 0 | 0 | 0 | 112.3 | I60 V61 Y62 S66 L67 L68 | I60-W64 WeakPolarHBondContact O-CB 3.35Å; I60-W64 VanDerWaalsContact O-CD1 3.3Å; I60-W64 PolarHBondContact O-N 3.18Å; V61-W64 PolarHBondContact O-N 3.45Å; Y62-W64 VanDerWaalsContact C-N 3.34Å; Y62-W64 PolarHBondContact O-N 3.33Å; W64-S66 VanDerWaalsContact C-N 3.29Å; W64-S66 PolarHBondContact O-N 3.47Å; W64-L67 PolarHBondContact O-N 3.41Å; W64-L68 HydrophobicContact CE3-CD1 3.93Å; W64-L68 VanDerWaalsContact O-CB 3.29Å; W64-L68 WeakPolarHBondContact O-CB 3.43Å; W64-L68 WeakPolarHBondContact O-CD1 3.23Å; W64-L68 PolarHBondContact O-N 2.79Å |
| 65 | V | 83.5 | Confident | 76.3 | Confident | 85 Ų | 85 | 112.3 Ų | 112.3 | 52% | 0.515 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62 | -40 | 177.4 | 171 | 0 | 0 | 0 | 0 | 110.7 | V61 Y62 L68 K69 | V61-V65 HydrophobicContact CG1-CG2 4.31Å; V61-V65 WeakPolarHBondContact O-CB 3.34Å; V61-V65 VanDerWaalsContact O-CG2 3.29Å; V61-V65 WeakPolarHBondContact O-CG2 3.33Å; V61-V65 PolarHBondContact O-N 3.1Å; Y62-V65 PolarHBondContact O-N 2.92Å; V65-L68 PolarHBondContact O-N 3.45Å; V65-K69 WeakPolarHBondContact O-CB 3.36Å; V65-K69 PolarHBondContact O-N 2.88Å |
| 66 | S | 80.6 | Confident | 74.9 | Confident | 41 Ų | 41 | 113.1 Ų | 113.1 | 29% | 0.287 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 176.5 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | Y62 L63 W64 K69 T70 | Y62-S66 VanDerWaalsContact O-CB 3.27Å; Y62-S66 WeakPolarHBondContact O-CB 3.29Å; Y62-S66 PolarHBondContact O-N 3.25Å; Y62-S66 PolarHBondContact O-OG 3.26Å; L63-S66 PolarHBondContact O-N 2.91Å; W64-S66 VanDerWaalsContact C-N 3.29Å; W64-S66 PolarHBondContact O-N 3.47Å; S66-K69 PolarHBondContact O-N 3.4Å; S66-T70 WeakPolarHBondContact O-CG2 3.24Å; S66-T70 PolarHBondContact O-N 2.9Å; S66-T70 PolarHBondContact O-OG1 2.85Å |
| 67 | L | 78.9 | Confident | 73.3 | Confident | 91 Ų | 91 | 112 Ų | 112 | 48% | 0.476 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.7 | -41.1 | 175.5 | -168.7 | 114.5 | 0 | 0 | 0 | 112.2 | L63 W64 K69 T70 I71 | L63-L67 VanDerWaalsContact O-CB 3.29Å; L63-L67 WeakPolarHBondContact O-CB 3.35Å; L63-L67 PolarHBondContact O-N 2.94Å; W64-L67 PolarHBondContact O-N 3.41Å; L67-K69 VanDerWaalsContact C-N 3.32Å; L67-K69 PolarHBondContact O-N 2.95Å; L67-T70 WeakPolarHBondContact CA-OG1 3.25Å; L67-T70 PolarHBondContact O-N 3.39Å; L67-T70 PolarHBondContact O-OG1 3.5Å; L67-I71 HydrophobicContact CD2-CD1 3.67Å; L67-I71 HydrophobicContact CG-CD1 4.02Å; L67-I71 WeakPolarHBondContact O-CB 3.29Å; L67-I71 WeakPolarHBondContact O-CD1 3.45Å; L67-I71 WeakPolarHBondContact O-CG1 3.08Å; L67-I71 PolarHBondContact O-N 2.84Å |
| 68 | L | 81.1 | Confident | 71.9 | Confident | 99 Ų | 99 | 113.4 Ų | 113.4 | 52% | 0.518 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.1 | -42 | 173.4 | -91.1 | 141.9 | 0 | 0 | 0 | 110.7 | W64 V65 I71 F72 | W64-L68 HydrophobicContact CE3-CD1 3.93Å; W64-L68 VanDerWaalsContact O-CB 3.29Å; W64-L68 WeakPolarHBondContact O-CB 3.43Å; W64-L68 WeakPolarHBondContact O-CD1 3.23Å; W64-L68 PolarHBondContact O-N 2.79Å; V65-L68 PolarHBondContact O-N 3.45Å; L68-I71 PolarHBondContact O-N 3.31Å; L68-F72 VanDerWaalsContact O-CB 3.24Å; L68-F72 WeakPolarHBondContact O-CB 3.31Å; L68-F72 PolarHBondContact O-N 3.44Å |
| 69 | K | 73.8 | Confident | 70.3 | Confident | 157 Ų | 157 | 114.8 Ų | 114.8 | 68% | 0.683 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.1 | -43.5 | 177.8 | -173.4 | 158.7 | 175.2 | 152.9 | 0 | 111.6 | V65 S66 L67 F72 W73 | V65-K69 WeakPolarHBondContact O-CB 3.36Å; V65-K69 PolarHBondContact O-N 2.88Å; S66-K69 PolarHBondContact O-N 3.4Å; L67-K69 VanDerWaalsContact C-N 3.32Å; L67-K69 PolarHBondContact O-N 2.95Å; K69-F72 PolarHBondContact O-N 3.43Å; K69-W73 VanDerWaalsContact O-CB 3.25Å; K69-W73 WeakPolarHBondContact O-CB 3.2Å; K69-W73 PolarHBondContact O-N 3.42Å |
| 70 | T | 70 | Confident | 68.8 | Low | 90 Ų | 90 | 109.3 Ų | 109.3 | 55% | 0.552 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.8 | -41.1 | 175.8 | 53.5 | 0 | 0 | 0 | 0 | 112.4 | S66 L67 S74 | S66-T70 WeakPolarHBondContact O-CG2 3.24Å; S66-T70 PolarHBondContact O-N 2.9Å; S66-T70 PolarHBondContact O-OG1 2.85Å; L67-T70 WeakPolarHBondContact CA-OG1 3.25Å; L67-T70 PolarHBondContact O-N 3.39Å; L67-T70 PolarHBondContact O-OG1 3.5Å; T70-S74 WeakPolarHBondContact O-CB 3.4Å; T70-S74 PolarHBondContact O-N 3.27Å |
| 71 | I | 71.4 | Confident | 67.1 | Low | 91 Ų | 91 | 109.1 Ų | 109.1 | 47% | 0.467 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.9 | -44.9 | 176.3 | -68.2 | 166.8 | 0 | 0 | 0 | 111 | L67 L68 S74 R75 | L67-I71 HydrophobicContact CD2-CD1 3.67Å; L67-I71 HydrophobicContact CG-CD1 4.02Å; L67-I71 WeakPolarHBondContact O-CB 3.29Å; L67-I71 WeakPolarHBondContact O-CD1 3.45Å; L67-I71 WeakPolarHBondContact O-CG1 3.08Å; L67-I71 PolarHBondContact O-N 2.84Å; L68-I71 PolarHBondContact O-N 3.31Å; I71-S74 PolarHBondContact O-N 2.82Å; I71-S74 PolarHBondContact O-OG 2.89Å; I71-R75 PolarHBondContact O-N 2.77Å; I71-R75 VanDerWaalsContact O-N 3.11Å |
| 72 | F | 60.4 | Low | 65.4 | Low | 124 Ų | 124 | 108.6 Ų | 108.6 | 54% | 0.544 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.8 | -34.8 | -177.8 | -149.1 | -98.9 | 0 | 0 | 0 | 112.1 | L68 K69 R75 N76 | L68-F72 VanDerWaalsContact O-CB 3.24Å; L68-F72 WeakPolarHBondContact O-CB 3.31Å; L68-F72 PolarHBondContact O-N 3.44Å; K69-F72 PolarHBondContact O-N 3.43Å; F72-R75 PolarHBondContact O-N 2.86Å; F72-N76 WeakPolarHBondContact CE1-ND2 3.22Å; F72-N76 PolarHBondContact O-N 3.5Å |
| 73 | W | 53.7 | Low | 64.1 | Low | 220 Ų | 220 | 104.4 Ų | 104.4 | 83% | 0.833 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.3 | -37.4 | 172.3 | -145.8 | 45.9 | 0 | 0 | 0 | 111.7 | K69 R75 N76 G77 | K69-W73 VanDerWaalsContact O-CB 3.25Å; K69-W73 WeakPolarHBondContact O-CB 3.2Å; K69-W73 PolarHBondContact O-N 3.42Å; W73-R75 PolarHBondContact O-N 2.96Å; W73-N76 PolarHBondContact O-N 3.44Å; W73-G77 PolarHBondContact O-N 2.97Å |
| 74 | S | 52.8 | Low | 62.6 | Low | 70 Ų | 70 | 104.4 Ų | 104.4 | 49% | 0.49 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.2 | -25 | 172.4 | 86.3 | 0 | 0 | 0 | 0 | 113.4 | T70 I71 H78 | T70-S74 WeakPolarHBondContact O-CB 3.4Å; T70-S74 PolarHBondContact O-N 3.27Å; I71-S74 PolarHBondContact O-N 2.82Å; I71-S74 PolarHBondContact O-OG 2.89Å; S74-H78 PolarHBondContact O-CD2 3.41Å |
| 75 | R | 50 | Low | 61.1 | Low | 175 Ų | 175 | 103.6 Ų | 103.6 | 66% | 0.66 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -89.3 | -33.7 | 179.4 | -163.7 | 133.6 | 83.8 | 179.6 | 7.8 | 113.1 | I71 F72 W73 | I71-R75 PolarHBondContact O-N 2.77Å; I71-R75 VanDerWaalsContact O-N 3.11Å; F72-R75 PolarHBondContact O-N 2.86Å; W73-R75 PolarHBondContact O-N 2.96Å |
| 76 | N | 48.2 | Very low | 59.9 | Low | 111 Ų | 111 | 104.4 Ų | 104.4 | 59% | 0.594 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -86.2 | -16 | -178.7 | -76.1 | 9.9 | 0 | 0 | 0 | 114.1 | F72 W73 | F72-N76 WeakPolarHBondContact CE1-ND2 3.22Å; F72-N76 PolarHBondContact O-N 3.5Å; W73-N76 PolarHBondContact O-N 3.44Å |
| 77 | G | 49.6 | Very low | 59 | Low | 58 Ų | 58 | 110.4 Ų | 110.4 | 60% | 0.598 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -92.9 | -6.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | W73 | W73-G77 PolarHBondContact O-N 2.97Š|
| 78 | H | 50.1 | Low | 57.9 | Low | 112 Ų | 112 | 108.6 Ų | 108.6 | 52% | 0.519 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -104 | -3.4 | -167.9 | -95.5 | -39 | 0 | 0 | 0 | 116.6 | S74 T82 | S74-H78 PolarHBondContact O-CD2 3.41Å; H78-T82 PolarHBondContact O-OG1 3.31Å |
| 79 | D | 49.1 | Very low | 56.8 | Low | 140 Ų | 140 | 111.2 Ų | 111.2 | 75% | 0.749 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -10.8 | -172.1 | -76.4 | -13.4 | 0 | 0 | 0 | 114.8 | ||
| 80 | G | 52.8 | Low | 56 | Low | 54 Ų | 54 | 111 Ų | 111 | 56% | 0.557 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | -38.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 81 | S | 52.7 | Low | 55.4 | Low | 74 Ų | 74 | 110.2 Ų | 110.2 | 52% | 0.517 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -83.5 | -31.7 | -169.8 | 172.7 | 0 | 0 | 0 | 0 | 113.4 | Q85 | S81-Q85 WeakPolarHBondContact O-CB 3.24Å; S81-Q85 VanDerWaalsContact O-CG 3.31Å; S81-Q85 WeakPolarHBondContact O-CG 3.31Å; S81-Q85 PolarHBondContact O-N 2.84Å; S81-Q85 VanDerWaalsContact O-N 3.13Å |
| 82 | T | 54.6 | Low | 54.8 | Low | 69 Ų | 69 | 110.9 Ų | 110.9 | 42% | 0.423 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -71.8 | -34.2 | -179.7 | 50.6 | 0 | 0 | 0 | 0 | 112.4 | H78 Q86 | H78-T82 PolarHBondContact O-OG1 3.31Å; T82-Q86 WeakPolarHBondContact O-CB 3.43Å; T82-Q86 PolarHBondContact O-N 2.86Å |
| 83 | D | 58.2 | Low | 54.6 | Low | 75 Ų | 75 | 111.3 Ų | 111.3 | 40% | 0.401 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.9 | -41.5 | 176.9 | -170.8 | 63.8 | 0 | 0 | 0 | 112 | Q86 R87 | D83-Q86 PolarHBondContact O-N 3.22Å; D83-R87 WeakPolarHBondContact O-CB 3.35Å; D83-R87 PolarHBondContact O-N 2.95Å; D83-R87 IonicContact OD2-CZ 3.09Å; D83-R87 IonicContact OD2-NH1 3.38Å; D83-R87 IonicContact OD2-NH2 2.84Å |
| 84 | V | 57.3 | Low | 54.8 | Low | 95 Ų | 95 | 110.6 Ų | 110.6 | 58% | 0.576 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.7 | -45.5 | 178.2 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | Q86 R87 A88 | V84-Q86 VanDerWaalsContact C-N 3.33Å; V84-Q86 PolarHBondContact O-N 3.41Å; V84-R87 PolarHBondContact O-N 3.43Å; V84-A88 WeakPolarHBondContact O-CB 3.35Å; V84-A88 PolarHBondContact O-N 2.84Å |
| 85 | Q | 55.1 | Low | 54.8 | Low | 145 Ų | 145 | 116.5 Ų | 116.5 | 68% | 0.678 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63 | -39.8 | 175.8 | -73.4 | -101.6 | -42.2 | 0 | 0 | 111.7 | S81 W89 | S81-Q85 WeakPolarHBondContact O-CB 3.24Å; S81-Q85 VanDerWaalsContact O-CG 3.31Å; S81-Q85 WeakPolarHBondContact O-CG 3.31Å; S81-Q85 PolarHBondContact O-N 2.84Å; S81-Q85 VanDerWaalsContact O-N 3.13Å; Q85-W89 VanDerWaalsContact O-CB 3.27Å; Q85-W89 WeakPolarHBondContact O-CB 3.29Å; Q85-W89 PolarHBondContact O-N 3.37Å |
| 86 | Q | 57.9 | Low | 54.8 | Low | 102 Ų | 102 | 113.4 Ų | 113.4 | 48% | 0.477 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -75.6 | -31.5 | 180 | -166.4 | 153.9 | -37.5 | 0 | 0 | 112.5 | T82 D83 V84 R90 | T82-Q86 WeakPolarHBondContact O-CB 3.43Å; T82-Q86 PolarHBondContact O-N 2.86Å; D83-Q86 PolarHBondContact O-N 3.22Å; V84-Q86 VanDerWaalsContact C-N 3.33Å; V84-Q86 PolarHBondContact O-N 3.41Å; Q86-R90 WeakPolarHBondContact O-CB 3.3Å; Q86-R90 WeakPolarHBondContact O-CG 3.27Å; Q86-R90 PolarHBondContact O-N 2.87Å |
| 87 | R | 60.9 | Low | 55 | Low | 167 Ų | 167 | 113.8 Ų | 113.8 | 63% | 0.63 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69.9 | -42.1 | 171.2 | -172.8 | 175.7 | -79.5 | 161.2 | 0.3 | 111.3 | D83 V84 R90 S91 | D83-R87 WeakPolarHBondContact O-CB 3.35Å; D83-R87 PolarHBondContact O-N 2.95Å; D83-R87 IonicContact OD2-CZ 3.09Å; D83-R87 IonicContact OD2-NH1 3.38Å; D83-R87 IonicContact OD2-NH2 2.84Å; V84-R87 PolarHBondContact O-N 3.43Å; R87-R90 PolarHBondContact O-N 3.38Å; R87-S91 WeakPolarHBondContact O-CB 3.41Å; R87-S91 PolarHBondContact O-N 2.85Å |
| 88 | A | 57.2 | Low | 55.2 | Low | 52 Ų | 52 | 113.9 Ų | 113.9 | 43% | 0.43 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.5 | -40.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | V84 S91 N92 | V84-A88 WeakPolarHBondContact O-CB 3.35Å; V84-A88 PolarHBondContact O-N 2.84Å; A88-S91 PolarHBondContact O-N 3.34Å; A88-N92 PolarHBondContact O-N 2.91Å |
| 89 | W | 57.1 | Low | 55 | Low | 154 Ų | 154 | 115 Ų | 115 | 58% | 0.583 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.9 | -40.8 | 177.1 | -169.2 | 82.7 | 0 | 0 | 0 | 112.9 | Q85 S91 N92 R93 | Q85-W89 VanDerWaalsContact O-CB 3.27Å; Q85-W89 WeakPolarHBondContact O-CB 3.29Å; Q85-W89 PolarHBondContact O-N 3.37Å; W89-S91 VanDerWaalsContact C-N 3.32Å; W89-S91 PolarHBondContact O-N 3.47Å; W89-N92 PolarHBondContact O-N 2.84Å; W89-R93 WeakPolarHBondContact O-CB 3.3Å; W89-R93 PolarHBondContact O-N 3.27Å |
| 90 | R | 57.2 | Low | 54.9 | Low | 153 Ų | 153 | 117.5 Ų | 117.5 | 58% | 0.577 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.7 | -35.2 | 174 | -78.5 | -176.1 | -176.4 | 145.3 | -1.1 | 112.6 | Q86 R87 R94 | Q86-R90 WeakPolarHBondContact O-CB 3.3Å; Q86-R90 WeakPolarHBondContact O-CG 3.27Å; Q86-R90 PolarHBondContact O-N 2.87Å; R87-R90 PolarHBondContact O-N 3.38Å; R90-R94 PolarHBondContact O-N 3.35Å |
| 91 | S | 57.7 | Low | 54.6 | Low | 74 Ų | 74 | 119.8 Ų | 119.8 | 52% | 0.517 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.6 | -47.2 | 175 | 148.9 | 0 | 0 | 0 | 0 | 111.9 | R87 A88 W89 R93 R94 R95 | R87-S91 WeakPolarHBondContact O-CB 3.41Å; R87-S91 PolarHBondContact O-N 2.85Å; A88-S91 PolarHBondContact O-N 3.34Å; W89-S91 VanDerWaalsContact C-N 3.32Å; W89-S91 PolarHBondContact O-N 3.47Å; S91-R93 VanDerWaalsContact C-N 3.33Å; S91-R93 PolarHBondContact O-N 3.24Å; S91-R94 PolarHBondContact O-N 2.88Å; S91-R95 PolarHBondContact O-N 3.49Å |
| 92 | N | 58.7 | Low | 54.5 | Low | 104 Ų | 104 | 123.1 Ų | 123.1 | 56% | 0.556 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.8 | -30.2 | 179.5 | -105.7 | -29.1 | 0 | 0 | 0 | 113.3 | A88 W89 R95 Q96 | A88-N92 PolarHBondContact O-N 2.91Å; W89-N92 PolarHBondContact O-N 2.84Å; N92-R95 PolarHBondContact O-N 3.3Å; N92-Q96 PolarHBondContact O-N 3.5Å |
| 93 | R | 55.8 | Low | 54 | Low | 134 Ų | 134 | 124.6 Ų | 124.6 | 51% | 0.506 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.3 | -41.4 | 176.3 | -167.7 | 169 | -174.8 | 168.6 | 3.3 | 112.3 | W89 S91 Q96 E97 | W89-R93 WeakPolarHBondContact O-CB 3.3Å; W89-R93 PolarHBondContact O-N 3.27Å; S91-R93 VanDerWaalsContact C-N 3.33Å; S91-R93 PolarHBondContact O-N 3.24Å; R93-Q96 PolarHBondContact O-N 2.92Å; R93-E97 IonicContact NE-OE1 3.53Å; R93-E97 WeakPolarHBondContact O-CG 3.44Å; R93-E97 PolarHBondContact O-N 3.33Å |
| 94 | R | 57.2 | Low | 53.6 | Low | 204 Ų | 204 | 129.8 Ų | 129.8 | 77% | 0.77 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.6 | -36.5 | 174.9 | -72 | -170.3 | -176 | -172.5 | 1.3 | 112.8 | R90 S91 | R90-R94 PolarHBondContact O-N 3.35Å; S91-R94 PolarHBondContact O-N 2.88Å |
| 95 | R | 52.7 | Low | 52.8 | Low | 194 Ų | 194 | 133.1 Ų | 133.1 | 73% | 0.732 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67.9 | -34.9 | 173.3 | -98.3 | -169.8 | -177.1 | -170.7 | 1.8 | 113.2 | S91 N92 | S91-R95 PolarHBondContact O-N 3.49Å; N92-R95 PolarHBondContact O-N 3.3Å |
| 96 | Q | 50.3 | Low | 52.6 | Low | 110 Ų | 110 | 132.5 Ų | 132.5 | 51% | 0.514 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -74.7 | -28.2 | 176.5 | -79.6 | -129.4 | -15.9 | 0 | 0 | 113.6 | N92 R93 G98 L99 R100 | N92-Q96 PolarHBondContact O-N 3.5Å; R93-Q96 PolarHBondContact O-N 2.92Å; Q96-G98 PolarHBondContact O-N 3.4Å; Q96-L99 PolarHBondContact O-N 3.46Å; Q96-R100 WeakPolarHBondContact O-CB 3.48Å; Q96-R100 WeakPolarHBondContact O-CG 3.29Å; Q96-R100 PolarHBondContact O-N 2.9Å |
| 97 | E | 52.9 | Low | 51.6 | Low | 120 Ų | 120 | 137 Ų | 137 | 56% | 0.561 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -66 | -27.6 | 174.7 | -77.6 | 161.9 | -174.5 | 0 | 0 | 112.1 | R93 | R93-E97 IonicContact NE-OE1 3.53Å; R93-E97 WeakPolarHBondContact O-CG 3.44Å; R93-E97 PolarHBondContact O-N 3.33Å |
| 98 | G | 53.1 | Low | 50.9 | Low | 60 Ų | 60 | 138.8 Ų | 138.8 | 62% | 0.619 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -80.5 | -22.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q96 | Q96-G98 PolarHBondContact O-N 3.4Å |
| 99 | L | 45.9 | Very low | 50.2 | Low | 134 Ų | 134 | 147.4 Ų | 147.4 | 70% | 0.702 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -98 | -10.1 | 179.3 | -79.3 | 166.3 | 0 | 0 | 0 | 113.6 | Q96 S101 I102 | Q96-L99 PolarHBondContact O-N 3.46Å; L99-S101 VanDerWaalsContact C-N 3.27Å; L99-S101 PolarHBondContact O-N 2.83Å; L99-I102 PolarHBondContact O-N 3.25Å |
| 100 | R | 47.1 | Very low | 49.3 | Very low | 194 Ų | 194 | 146.3 Ų | 146.3 | 73% | 0.732 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -4.1 | -176.2 | -91.8 | 176.1 | -179.9 | -148.7 | -0.9 | 115.2 | Q96 | Q96-R100 WeakPolarHBondContact O-CB 3.48Å; Q96-R100 WeakPolarHBondContact O-CG 3.29Å; Q96-R100 PolarHBondContact O-N 2.9Å |
| 101 | S | 47.8 | Very low | 49.1 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -9.5 | 173.2 | 56.5 | 0 | 0 | 0 | 0 | 113.7 | L99 | L99-S101 VanDerWaalsContact C-N 3.27Å; L99-S101 PolarHBondContact O-N 2.83Å |
| 102 | I | 49.9 | Very low | 48.8 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -135.4 | 101 | -179.8 | -49.3 | 175.8 | 0 | 0 | 0 | 109.1 | L99 | L99-I102 PolarHBondContact O-N 3.25Š|
| 103 | C | 44.7 | Very low | 48.2 | Very low | 101 Ų | 101 | 149.4 Ų | 149.4 | 68% | 0.682 | 74% | 0.735 | S | S | * | * | trans | 134.3 | 85.7 | 157.8 | -169.7 | 0 | 0 | 0 | 0 | 111.6 | H105 | C103-H105 PolarHBondContact O-N 3.03Š| ||
| 104 | M | 49.5 | Very low | 47.8 | Very low | 184 Ų | 184 | 155.4 Ų | 155.4 | 91% | 0.906 | 76% | 0.757 | S | S | * | * | trans | -76.2 | 109.5 | 149.2 | -76.4 | -133.1 | 92.2 | 0 | 0 | 107.7 | ||||
| 105 | H | 39.8 | Very low | 47.4 | Very low | 164 Ų | 164 | 148.1 Ų | 148.1 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | trans | -133.7 | 124.6 | 153.6 | -90.4 | -71 | 0 | 0 | 0 | 110.8 | C103 K107 | C103-H105 PolarHBondContact O-N 3.03Å; H105-K107 PolarHBondContact O-N 3.49Å | ||
| 106 | T | 50.8 | Low | 47.6 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | -59.4 | 104.6 | -178.4 | 39.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 107 | K | 37.8 | Very low | 47.9 | Very low | 196 Ų | 196 | 147 Ų | 147 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | trans | -106.7 | 96.3 | 157.4 | -85.3 | -175.3 | 176.2 | 178.6 | 0 | 109.5 | H105 R109 | H105-K107 PolarHBondContact O-N 3.49Å; K107-R109 PolarHBondContact O-N 2.81Å | ||
| 108 | K | 45 | Very low | 48.2 | Very low | 206 Ų | 206 | 147.3 Ų | 147.3 | 90% | 0.896 | 76% | 0.755 | S | S | * | * | trans | -51.4 | 109.2 | 161.4 | -83.3 | -176.8 | 175.7 | 177.2 | 0 | 107.9 | ||||
| 109 | R | 42.9 | Very low | 48.4 | Very low | 232 Ų | 232 | 149 Ų | 149 | 88% | 0.875 | 75% | 0.753 | S | S | * | * | trans | -87.9 | 106.9 | 162.4 | -73 | -169.1 | 178.8 | -166.6 | -0.4 | 107.4 | K107 S111 | K107-R109 PolarHBondContact O-N 2.81Å; R109-S111 PolarHBondContact O-N 3.33Å; R109-S111 VanDerWaalsContact O-N 3.08Å | ||
| 110 | V | 39.3 | Very low | 49.5 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | trans | -58 | 110.3 | 166.9 | 176 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 111 | S | 51.1 | Low | 50.6 | Low | 115 Ų | 115 | 145.1 Ų | 145.1 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -86.3 | 107.2 | 175.8 | 59.7 | 0 | 0 | 0 | 0 | 109.1 | R109 | R109-S111 PolarHBondContact O-N 3.33Å; R109-S111 VanDerWaalsContact O-N 3.08Å | ||
| 112 | S | 52.5 | Low | 51.8 | Low | 88 Ų | 88 | 144.8 Ų | 144.8 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | trans | -138.5 | 87.9 | 167.7 | 56.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 113 | F | 45.2 | Very low | 52.9 | Low | 193 Ų | 193 | 142.1 Ų | 142.1 | 85% | 0.846 | 72% | 0.721 | S | S | * | * | trans | -160.8 | 89.8 | 141.1 | -95.8 | -69.9 | 0 | 0 | 0 | 107.8 | ||||
| 114 | R | 48.8 | Very low | 54.5 | Low | 259 Ų | 259 | 140.7 Ų | 140.7 | 98% | 0.977 | 71% | 0.706 | S | S | * | * | trans | -102 | 56.4 | 179.2 | -167 | -176.7 | -170.4 | -132.3 | 4.4 | 108.8 | ||||
| 115 | G | 48.8 | Very low | 56.1 | Low | 51 Ų | 51 | 135.7 Ų | 135.7 | 53% | 0.526 | 69% | 0.686 | S | S | . | * | S | Bend | trans | -120.2 | -54.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 116 | N | 55.6 | Low | 58 | Low | 136 Ų | 136 | 133.1 Ų | 133.1 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -107.4 | 8 | -166.8 | -78.5 | 7.6 | 0 | 0 | 0 | 116 | I118 L120 | N116-I118 PolarHBondContact O-N 3.38Å; N116-L120 PolarHBondContact O-N 3.29Å |
| 117 | K | 56.7 | Low | 59.7 | Low | 145 Ų | 145 | 134.9 Ų | 134.9 | 63% | 0.63 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -75.3 | -22.2 | -175.1 | -67 | -175 | -175.8 | 178.8 | 0 | 113.8 | K121 | K117-K121 WeakPolarHBondContact O-CB 3.48Å; K117-K121 VanDerWaalsContact O-CD 3.28Å; K117-K121 WeakPolarHBondContact O-CD 3.19Å; K117-K121 WeakPolarHBondContact O-CG 3.46Å; K117-K121 PolarHBondContact O-N 2.93Å |
| 118 | I | 58.9 | Low | 61.9 | Low | 126 Ų | 126 | 133.6 Ų | 133.6 | 65% | 0.646 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -77.6 | -55.1 | -177.8 | -62.1 | 168.3 | 0 | 0 | 0 | 109.2 | N116 L120 K121 D122 | N116-I118 PolarHBondContact O-N 3.38Å; I118-L120 PolarHBondContact O-N 3.45Å; I118-K121 WeakPolarHBondContact O-CB 3.01Å; I118-K121 PolarHBondContact O-N 2.84Å; I118-K121 VanDerWaalsContact O-N 3.13Å; I118-D122 PolarHBondContact O-N 3.16Å |
| 119 | V | 57.7 | Low | 63.8 | Low | 96 Ų | 96 | 128.1 Ų | 128.1 | 58% | 0.582 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -58.9 | -43.4 | 180 | -176.4 | 0 | 0 | 0 | 0 | 112.6 | K121 D122 V123 | V119-K121 PolarHBondContact O-N 3.47Å; V119-D122 PolarHBondContact O-N 3.3Å; V119-V123 HydrophobicContact CG1-CG2 4.46Å; V119-V123 VanDerWaalsContact O-CG2 3.29Å; V119-V123 WeakPolarHBondContact O-CG2 3.47Å; V119-V123 PolarHBondContact O-N 2.89Å |
| 120 | L | 70.6 | Confident | 65.9 | Low | 109 Ų | 109 | 120.8 Ų | 120.8 | 57% | 0.571 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.4 | -37.7 | 179.2 | -177.7 | 62.9 | 0 | 0 | 0 | 112.2 | N116 I118 D122 V123 I124 | N116-L120 PolarHBondContact O-N 3.29Å; I118-L120 PolarHBondContact O-N 3.45Å; L120-D122 VanDerWaalsContact C-N 3.32Å; L120-V123 PolarHBondContact O-N 2.62Å; L120-I124 HydrophobicContact CD1-CD1 4.03Å; L120-I124 HydrophobicContact CD1-CG1 4.34Å; L120-I124 HydrophobicContact CG-CD1 3.83Å; L120-I124 WeakPolarHBondContact O-CB 3.34Å; L120-I124 WeakPolarHBondContact O-CD1 3.02Å; L120-I124 WeakPolarHBondContact O-CG1 2.8Å; L120-I124 PolarHBondContact O-N 2.81Å |
| 121 | K | 69.2 | Low | 68 | Low | 138 Ų | 138 | 117.7 Ų | 117.7 | 60% | 0.6 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.5 | -42.2 | 175.9 | -79.1 | 175.2 | -176.9 | -175 | 0 | 110.7 | K117 I118 V119 I124 T125 | K117-K121 WeakPolarHBondContact O-CB 3.48Å; K117-K121 VanDerWaalsContact O-CD 3.28Å; K117-K121 WeakPolarHBondContact O-CD 3.19Å; K117-K121 WeakPolarHBondContact O-CG 3.46Å; K117-K121 PolarHBondContact O-N 2.93Å; I118-K121 WeakPolarHBondContact O-CB 3.01Å; I118-K121 PolarHBondContact O-N 2.84Å; I118-K121 VanDerWaalsContact O-N 3.13Å; V119-K121 PolarHBondContact O-N 3.47Å; K121-I124 PolarHBondContact O-N 3.49Å; K121-T125 PolarHBondContact O-N 3.14Å; K121-T125 PolarHBondContact O-OG1 3.08Å |
| 122 | D | 72.8 | Confident | 69.8 | Low | 94 Ų | 94 | 116.2 Ų | 116.2 | 50% | 0.503 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.2 | -37.5 | -179.6 | -65.3 | -25.2 | 0 | 0 | 0 | 112.5 | I118 V119 L120 T125 L126 | I118-D122 PolarHBondContact O-N 3.16Å; V119-D122 PolarHBondContact O-N 3.3Å; L120-D122 VanDerWaalsContact C-N 3.32Å; D122-T125 VanDerWaalsContact CA-OG1 3.27Å; D122-T125 WeakPolarHBondContact CA-OG1 3.5Å; D122-T125 PolarHBondContact O-OG1 3.44Å; D122-L126 WeakPolarHBondContact O-CB 3.41Å; D122-L126 PolarHBondContact O-N 3.16Å |
| 123 | V | 72.9 | Confident | 71.6 | Confident | 87 Ų | 87 | 117.8 Ų | 117.8 | 53% | 0.527 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.7 | -40 | 173.5 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | V119 L120 R127 | V119-V123 HydrophobicContact CG1-CG2 4.46Å; V119-V123 VanDerWaalsContact O-CG2 3.29Å; V119-V123 WeakPolarHBondContact O-CG2 3.47Å; V119-V123 PolarHBondContact O-N 2.89Å; L120-V123 PolarHBondContact O-N 2.62Å; V123-R127 VanDerWaalsContact O-CB 3.29Å; V123-R127 WeakPolarHBondContact O-CB 3.38Å; V123-R127 PolarHBondContact O-N 2.95Å |
| 124 | I | 78.6 | Confident | 73.7 | Confident | 72 Ų | 72 | 112.1 Ų | 112.1 | 37% | 0.369 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.3 | -41.7 | 178.6 | -68.3 | 166.6 | 0 | 0 | 0 | 111.2 | L120 K121 R128 | L120-I124 HydrophobicContact CD1-CD1 4.03Å; L120-I124 HydrophobicContact CD1-CG1 4.34Å; L120-I124 HydrophobicContact CG-CD1 3.83Å; L120-I124 WeakPolarHBondContact O-CB 3.34Å; L120-I124 WeakPolarHBondContact O-CD1 3.02Å; L120-I124 WeakPolarHBondContact O-CG1 2.8Å; L120-I124 PolarHBondContact O-N 2.81Å; K121-I124 PolarHBondContact O-N 3.49Å; I124-R128 WeakPolarHBondContact O-CB 3.46Å; I124-R128 VanDerWaalsContact O-CG 3.3Å; I124-R128 WeakPolarHBondContact O-CG 3.36Å; I124-R128 PolarHBondContact O-N 3.37Å |
| 125 | T | 82.3 | Confident | 75.4 | Confident | 79 Ų | 79 | 107 Ų | 107 | 49% | 0.485 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.7 | -42.3 | 176.2 | 44.1 | 0 | 0 | 0 | 0 | 111.2 | K121 D122 R128 H129 | K121-T125 PolarHBondContact O-N 3.14Å; K121-T125 PolarHBondContact O-OG1 3.08Å; D122-T125 VanDerWaalsContact CA-OG1 3.27Å; D122-T125 WeakPolarHBondContact CA-OG1 3.5Å; D122-T125 PolarHBondContact O-OG1 3.44Å; T125-R128 PolarHBondContact O-N 3.4Å; T125-H129 WeakPolarHBondContact O-CB 3.31Å; T125-H129 PolarHBondContact O-N 3.27Å |
| 126 | L | 80.6 | Confident | 77.2 | Confident | 109 Ų | 109 | 107 Ų | 107 | 57% | 0.571 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.5 | -45.7 | 175.5 | -174 | 64.9 | 0 | 0 | 0 | 111.5 | D122 R128 H129 V130 | D122-L126 WeakPolarHBondContact O-CB 3.41Å; D122-L126 PolarHBondContact O-N 3.16Å; L126-R128 PolarHBondContact O-N 2.85Å; L126-H129 PolarHBondContact O-N 3.39Å; L126-V130 WeakPolarHBondContact O-CG2 3.41Å; L126-V130 PolarHBondContact O-N 3.46Å |
| 127 | R | 86.3 | Confident | 78.6 | Confident | 170 Ų | 170 | 108.1 Ų | 108.1 | 64% | 0.642 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.1 | -47.8 | 175.2 | -179.1 | -177.9 | 167.6 | -167.6 | -1 | 111.5 | V123 H129 V130 E131 | V123-R127 VanDerWaalsContact O-CB 3.29Å; V123-R127 WeakPolarHBondContact O-CB 3.38Å; V123-R127 PolarHBondContact O-N 2.95Å; R127-H129 VanDerWaalsContact C-N 3.32Å; R127-H129 PolarHBondContact O-N 2.86Å; R127-V130 PolarHBondContact O-N 3.35Å; R127-E131 IonicContact CZ-OE1 3.95Å; R127-E131 IonicContact NE-OE1 3.06Å; R127-E131 PolarHBondContact NE-OE1 3.28Å; R127-E131 IonicContact NH2-OE1 3.95Å; R127-E131 PolarHBondContact NH2-OE1 3.45Å; R127-E131 VanDerWaalsContact NH2-OE1 3.09Å; R127-E131 WeakPolarHBondContact O-CB 3.29Å; R127-E131 WeakPolarHBondContact O-CG 3.25Å; R127-E131 PolarHBondContact O-N 2.87Å |
| 128 | R | 84.3 | Confident | 79.9 | Confident | 169 Ų | 169 | 106.1 Ų | 106.1 | 64% | 0.638 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.9 | -41.7 | 177.9 | -75.5 | 175.9 | 178 | -175.8 | 0.3 | 111.8 | I124 T125 L126 E131 T132 | I124-R128 WeakPolarHBondContact O-CB 3.46Å; I124-R128 VanDerWaalsContact O-CG 3.3Å; I124-R128 WeakPolarHBondContact O-CG 3.36Å; I124-R128 PolarHBondContact O-N 3.37Å; T125-R128 PolarHBondContact O-N 3.4Å; L126-R128 PolarHBondContact O-N 2.85Å; R128-E131 PolarHBondContact O-N 2.85Å; R128-T132 WeakPolarHBondContact O-CG2 3.29Å; R128-T132 PolarHBondContact O-N 2.98Å; R128-T132 PolarHBondContact O-OG1 3.49Å |
| 129 | H | 84.9 | Confident | 81 | Confident | 91 Ų | 91 | 108.9 Ų | 108.9 | 42% | 0.421 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.3 | -39.3 | 178.4 | 173 | -103.2 | 0 | 0 | 0 | 112.8 | T125 L126 R127 T132 K133 | T125-H129 WeakPolarHBondContact O-CB 3.31Å; T125-H129 PolarHBondContact O-N 3.27Å; L126-H129 PolarHBondContact O-N 3.39Å; R127-H129 VanDerWaalsContact C-N 3.32Å; R127-H129 PolarHBondContact O-N 2.86Å; H129-T132 PolarHBondContact O-OG1 2.84Å; H129-K133 VanDerWaalsContact CE1-CE 3.4Å; H129-K133 WeakPolarHBondContact CE1-CE 3.31Å; H129-K133 PolarHBondContact CE1-NZ 3.44Å; H129-K133 VanDerWaalsContact NE2-CE 3.26Å; H129-K133 WeakPolarHBondContact NE2-CE 2.95Å; H129-K133 PolarHBondContact O-N 3Å; H129-K133 VanDerWaalsContact O-N 3.1Å |
| 130 | V | 87.4 | Confident | 82 | Confident | 77 Ų | 77 | 111.8 Ų | 111.8 | 47% | 0.467 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.6 | -44.1 | 174.3 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | L126 R127 T132 K133 V134 | L126-V130 WeakPolarHBondContact O-CG2 3.41Å; L126-V130 PolarHBondContact O-N 3.46Å; R127-V130 PolarHBondContact O-N 3.35Å; V130-T132 VanDerWaalsContact C-N 3.34Å; V130-T132 PolarHBondContact O-N 2.97Å; V130-K133 PolarHBondContact O-N 3.11Å; V130-V134 HydrophobicContact CG1-CG2 4.32Å; V130-V134 WeakPolarHBondContact O-CG2 3.42Å; V130-V134 PolarHBondContact O-N 2.84Å |
| 131 | E | 82.9 | Confident | 82.2 | Confident | 68 Ų | 68 | 115.7 Ų | 115.7 | 32% | 0.318 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.6 | -41 | 177.5 | -76.4 | -176.7 | -169 | 0 | 0 | 112.2 | R127 R128 V134 R135 | R127-E131 IonicContact CZ-OE1 3.95Å; R127-E131 IonicContact NE-OE1 3.06Å; R127-E131 PolarHBondContact NE-OE1 3.28Å; R127-E131 IonicContact NH2-OE1 3.95Å; R127-E131 PolarHBondContact NH2-OE1 3.45Å; R127-E131 VanDerWaalsContact NH2-OE1 3.09Å; R127-E131 WeakPolarHBondContact O-CB 3.29Å; R127-E131 WeakPolarHBondContact O-CG 3.25Å; R127-E131 PolarHBondContact O-N 2.87Å; R128-E131 PolarHBondContact O-N 2.85Å; E131-V134 PolarHBondContact O-N 3.45Å; E131-R135 WeakPolarHBondContact O-CB 3.26Å; E131-R135 WeakPolarHBondContact O-CG 3.43Å; E131-R135 PolarHBondContact O-N 3.39Å |
| 132 | T | 89.3 | Confident | 82.4 | Confident | 83 Ų | 83 | 116.8 Ų | 116.8 | 51% | 0.509 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.3 | -41 | 176.3 | 56 | 0 | 0 | 0 | 0 | 112 | R128 H129 V130 R135 A136 | R128-T132 WeakPolarHBondContact O-CG2 3.29Å; R128-T132 PolarHBondContact O-N 2.98Å; R128-T132 PolarHBondContact O-OG1 3.49Å; H129-T132 PolarHBondContact O-OG1 2.84Å; V130-T132 VanDerWaalsContact C-N 3.34Å; V130-T132 PolarHBondContact O-N 2.97Å; T132-R135 PolarHBondContact O-N 2.86Å; T132-A136 VanDerWaalsContact O-CB 3.31Å; T132-A136 WeakPolarHBondContact O-CB 3.36Å; T132-A136 PolarHBondContact O-N 3.33Å |
| 133 | K | 89.1 | Confident | 82.3 | Confident | 122 Ų | 122 | 116.2 Ų | 116.2 | 53% | 0.53 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62 | -43 | 174.5 | -81 | -169.1 | 172.8 | 179.6 | 0 | 112.4 | H129 V130 A136 K137 | H129-K133 VanDerWaalsContact CE1-CE 3.4Å; H129-K133 WeakPolarHBondContact CE1-CE 3.31Å; H129-K133 PolarHBondContact CE1-NZ 3.44Å; H129-K133 VanDerWaalsContact NE2-CE 3.26Å; H129-K133 WeakPolarHBondContact NE2-CE 2.95Å; H129-K133 PolarHBondContact O-N 3Å; H129-K133 VanDerWaalsContact O-N 3.1Å; V130-K133 PolarHBondContact O-N 3.11Å; K133-A136 PolarHBondContact O-N 2.9Å; K133-K137 WeakPolarHBondContact O-CG 3.39Å; K133-K137 PolarHBondContact O-N 2.88Å |
| 134 | V | 90.3 | Very high | 81.8 | Confident | 74 Ų | 74 | 115.5 Ų | 115.5 | 45% | 0.448 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.1 | -46 | 176.6 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | V130 E131 A136 K137 I138 | V130-V134 HydrophobicContact CG1-CG2 4.32Å; V130-V134 WeakPolarHBondContact O-CG2 3.42Å; V130-V134 PolarHBondContact O-N 2.84Å; E131-V134 PolarHBondContact O-N 3.45Å; V134-A136 VanDerWaalsContact C-N 3.33Å; V134-A136 PolarHBondContact O-N 2.95Å; V134-K137 PolarHBondContact O-N 3.48Å; V134-I138 HydrophobicContact CG1-CD1 3.75Å; V134-I138 HydrophobicContact CG1-CG1 4.37Å; V134-I138 VanDerWaalsContact O-CG1 3.29Å; V134-I138 WeakPolarHBondContact O-CG1 3.3Å; V134-I138 PolarHBondContact O-N 3.42Å |
| 135 | R | 84.7 | Confident | 81.1 | Confident | 152 Ų | 152 | 116.3 Ų | 116.3 | 57% | 0.574 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.8 | -40.9 | 176.1 | -73.6 | 174.1 | -174.4 | -161.1 | 4.4 | 112.1 | E131 T132 I138 R139 | E131-R135 WeakPolarHBondContact O-CB 3.26Å; E131-R135 WeakPolarHBondContact O-CG 3.43Å; E131-R135 PolarHBondContact O-N 3.39Å; T132-R135 PolarHBondContact O-N 2.86Å; R135-I138 PolarHBondContact O-N 3.12Å; R135-R139 WeakPolarHBondContact O-CB 3.47Å; R135-R139 WeakPolarHBondContact O-CG 3.32Å; R135-R139 PolarHBondContact O-N 3.42Å |
| 136 | A | 86.3 | Confident | 80 | Confident | 49 Ų | 49 | 119.9 Ų | 119.9 | 41% | 0.405 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.5 | -42.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T132 K133 V134 R139 K140 | T132-A136 VanDerWaalsContact O-CB 3.31Å; T132-A136 WeakPolarHBondContact O-CB 3.36Å; T132-A136 PolarHBondContact O-N 3.33Å; K133-A136 PolarHBondContact O-N 2.9Å; V134-A136 VanDerWaalsContact C-N 3.33Å; V134-A136 PolarHBondContact O-N 2.95Å; A136-R139 PolarHBondContact O-N 3.09Å; A136-K140 WeakPolarHBondContact O-CB 3.4Å; A136-K140 WeakPolarHBondContact O-CG 3.44Å; A136-K140 PolarHBondContact O-N 3.39Å |
| 137 | K | 85 | Confident | 79 | Confident | 161 Ų | 161 | 119.8 Ų | 119.8 | 70% | 0.7 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.7 | -43.1 | 173.6 | -78.2 | -177.6 | 177.1 | -176.1 | 0 | 112.2 | K133 V134 K140 R141 | K133-K137 WeakPolarHBondContact O-CG 3.39Å; K133-K137 PolarHBondContact O-N 2.88Å; V134-K137 PolarHBondContact O-N 3.48Å; K137-K140 PolarHBondContact O-N 3.49Å; K137-R141 VanDerWaalsContact O-CB 3.29Å; K137-R141 WeakPolarHBondContact O-CB 3.41Å; K137-R141 PolarHBondContact O-N 3.17Å |
| 138 | I | 84.3 | Confident | 77.5 | Confident | 102 Ų | 102 | 117 Ų | 117 | 52% | 0.523 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.1 | -45.2 | 176.2 | -68.2 | 167.5 | 0 | 0 | 0 | 110.6 | V134 R135 R141 K142 | V134-I138 HydrophobicContact CG1-CD1 3.75Å; V134-I138 HydrophobicContact CG1-CG1 4.37Å; V134-I138 VanDerWaalsContact O-CG1 3.29Å; V134-I138 WeakPolarHBondContact O-CG1 3.3Å; V134-I138 PolarHBondContact O-N 3.42Å; R135-I138 PolarHBondContact O-N 3.12Å; I138-R141 PolarHBondContact O-N 2.94Å; I138-K142 VanDerWaalsContact O-CB 3.31Å; I138-K142 WeakPolarHBondContact O-CB 3.4Å; I138-K142 PolarHBondContact O-N 3.18Å |
| 139 | R | 81.9 | Confident | 76.2 | Confident | 185 Ų | 185 | 116.6 Ų | 116.6 | 70% | 0.698 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.9 | -47.7 | 176.2 | -75.6 | 178.6 | -179.7 | 179.8 | -1.1 | 111.5 | R135 A136 R141 K142 V143 | R135-R139 WeakPolarHBondContact O-CB 3.47Å; R135-R139 WeakPolarHBondContact O-CG 3.32Å; R135-R139 PolarHBondContact O-N 3.42Å; A136-R139 PolarHBondContact O-N 3.09Å; R139-R141 PolarHBondContact O-N 3.49Å; R139-K142 PolarHBondContact O-N 3.46Å; R139-V143 WeakPolarHBondContact O-CB 3.29Å; R139-V143 VanDerWaalsContact O-CG2 3.26Å; R139-V143 WeakPolarHBondContact O-CG2 3.15Å; R139-V143 PolarHBondContact O-N 3.42Å |
| 140 | K | 78.4 | Confident | 74.8 | Confident | 156 Ų | 156 | 119.6 Ų | 119.6 | 68% | 0.678 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -57.5 | -48.2 | 175.2 | -76 | -174 | 178.5 | -169 | 0 | 111.2 | A136 K137 K142 V143 T144 | A136-K140 WeakPolarHBondContact O-CB 3.4Å; A136-K140 WeakPolarHBondContact O-CG 3.44Å; A136-K140 PolarHBondContact O-N 3.39Å; K137-K140 PolarHBondContact O-N 3.49Å; K140-K142 PolarHBondContact O-N 3.12Å; K140-V143 PolarHBondContact O-N 3.07Å; K140-T144 WeakPolarHBondContact O-CG2 3.3Å; K140-T144 PolarHBondContact O-N 3.42Å; K140-T144 PolarHBondContact O-OG1 3.43Å; K140-T144 VanDerWaalsContact O-OG1 3.11Å |
| 141 | R | 75.3 | Confident | 73.2 | Confident | 192 Ų | 192 | 121.4 Ų | 121.4 | 73% | 0.725 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.3 | -42.7 | 177.5 | -167.4 | 177.6 | -176.1 | -160.3 | 1.5 | 112.3 | K137 I138 R139 T144 T145 | K137-R141 VanDerWaalsContact O-CB 3.29Å; K137-R141 WeakPolarHBondContact O-CB 3.41Å; K137-R141 PolarHBondContact O-N 3.17Å; I138-R141 PolarHBondContact O-N 2.94Å; R139-R141 PolarHBondContact O-N 3.49Å; R141-T144 VanDerWaalsContact CA-OG1 3.32Å; R141-T144 WeakPolarHBondContact CA-OG1 3.35Å; R141-T144 PolarHBondContact O-N 2.87Å; R141-T144 PolarHBondContact O-OG1 3.37Å; R141-T145 WeakPolarHBondContact O-CB 3.36Å; R141-T145 PolarHBondContact O-N 2.57Å; R141-T145 PolarHBondContact O-OG1 2.8Å |
| 142 | K | 73.7 | Confident | 71.8 | Confident | 161 Ų | 161 | 127.8 Ų | 127.8 | 70% | 0.7 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.8 | -40.3 | 177.6 | -169.4 | 176.2 | -176.9 | 179.2 | 0 | 111.7 | I138 R139 K140 T145 K146 | I138-K142 VanDerWaalsContact O-CB 3.31Å; I138-K142 WeakPolarHBondContact O-CB 3.4Å; I138-K142 PolarHBondContact O-N 3.18Å; R139-K142 PolarHBondContact O-N 3.46Å; K140-K142 PolarHBondContact O-N 3.12Å; K142-T145 PolarHBondContact O-N 3.47Å; K142-K146 WeakPolarHBondContact O-CB 3.3Å; K142-K146 PolarHBondContact O-N 3.39Å |
| 143 | V | 70.8 | Confident | 70.4 | Confident | 82 Ų | 82 | 128.2 Ų | 128.2 | 50% | 0.497 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.2 | -47 | 174.9 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | R139 K140 T145 K146 I147 | R139-V143 WeakPolarHBondContact O-CB 3.29Å; R139-V143 VanDerWaalsContact O-CG2 3.26Å; R139-V143 WeakPolarHBondContact O-CG2 3.15Å; R139-V143 PolarHBondContact O-N 3.42Å; K140-V143 PolarHBondContact O-N 3.07Å; V143-T145 VanDerWaalsContact C-N 3.34Å; V143-T145 PolarHBondContact O-N 2.96Å; V143-K146 PolarHBondContact O-N 3.49Å; V143-K146 VanDerWaalsContact O-N 3.12Å; V143-I147 HydrophobicContact CG1-CD1 3.69Å; V143-I147 HydrophobicContact CG1-CG1 4.36Å; V143-I147 VanDerWaalsContact O-CG1 3.29Å; V143-I147 WeakPolarHBondContact O-CG1 3.33Å; V143-I147 PolarHBondContact O-N 2.84Å |
| 144 | T | 61.3 | Low | 68.9 | Low | 71 Ų | 71 | 128.9 Ų | 128.9 | 44% | 0.436 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.1 | -37.3 | 176.7 | 54.5 | 0 | 0 | 0 | 0 | 112.4 | K140 R141 K146 I147 N148 | K140-T144 WeakPolarHBondContact O-CG2 3.3Å; K140-T144 PolarHBondContact O-N 3.42Å; K140-T144 PolarHBondContact O-OG1 3.43Å; K140-T144 VanDerWaalsContact O-OG1 3.11Å; R141-T144 VanDerWaalsContact CA-OG1 3.32Å; R141-T144 WeakPolarHBondContact CA-OG1 3.35Å; R141-T144 PolarHBondContact O-N 2.87Å; R141-T144 PolarHBondContact O-OG1 3.37Å; T144-K146 VanDerWaalsContact C-N 3.31Å; T144-K146 PolarHBondContact O-N 3.43Å; T144-I147 PolarHBondContact O-N 2.69Å; T144-N148 WeakPolarHBondContact O-CB 3.31Å; T144-N148 VanDerWaalsContact O-CG 3.28Å; T144-N148 PolarHBondContact O-N 2.98Å; T144-N148 PolarHBondContact O-ND2 2.93Å |
| 145 | T | 64.6 | Low | 67.1 | Low | 89 Ų | 89 | 128 Ų | 128 | 55% | 0.546 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.5 | -35.8 | 173.9 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | R141 K142 V143 H149 | R141-T145 WeakPolarHBondContact O-CB 3.36Å; R141-T145 PolarHBondContact O-N 2.57Å; R141-T145 PolarHBondContact O-OG1 2.8Å; K142-T145 PolarHBondContact O-N 3.47Å; V143-T145 VanDerWaalsContact C-N 3.34Å; V143-T145 PolarHBondContact O-N 2.96Å; T145-H149 PolarHBondContact O-N 3.22Å |
| 146 | K | 58.5 | Low | 65.7 | Low | 154 Ų | 154 | 129.5 Ų | 129.5 | 67% | 0.67 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72.3 | -38.6 | 176.8 | -162.1 | -179.2 | -179.5 | -171.7 | 0 | 111.9 | K142 V143 T144 H149 | K142-K146 WeakPolarHBondContact O-CB 3.3Å; K142-K146 PolarHBondContact O-N 3.39Å; V143-K146 PolarHBondContact O-N 3.49Å; V143-K146 VanDerWaalsContact O-N 3.12Å; T144-K146 VanDerWaalsContact C-N 3.31Å; T144-K146 PolarHBondContact O-N 3.43Å; K146-H149 PolarHBondContact O-N 3.21Å; K146-H149 VanDerWaalsContact O-N 3.17Å |
| 147 | I | 58.8 | Low | 64.2 | Low | 108 Ų | 108 | 137.4 Ų | 137.4 | 55% | 0.554 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63 | -43.4 | 173.9 | -67.2 | 166.6 | 0 | 0 | 0 | 110 | V143 T144 H149 H150 | V143-I147 HydrophobicContact CG1-CD1 3.69Å; V143-I147 HydrophobicContact CG1-CG1 4.36Å; V143-I147 VanDerWaalsContact O-CG1 3.29Å; V143-I147 WeakPolarHBondContact O-CG1 3.33Å; V143-I147 PolarHBondContact O-N 2.84Å; T144-I147 PolarHBondContact O-N 2.69Å; I147-H149 PolarHBondContact O-N 3.27Å; I147-H149 VanDerWaalsContact O-N 3.12Å; I147-H150 PolarHBondContact O-N 2.76Å; I147-H150 VanDerWaalsContact O-N 3.07Å |
| 148 | N | 56.2 | Low | 62.8 | Low | 111 Ų | 111 | 135.2 Ų | 135.2 | 59% | 0.594 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -6.3 | 175.5 | -72.1 | -15.8 | 0 | 0 | 0 | 114.7 | T144 | T144-N148 WeakPolarHBondContact O-CB 3.31Å; T144-N148 VanDerWaalsContact O-CG 3.28Å; T144-N148 PolarHBondContact O-N 2.98Å; T144-N148 PolarHBondContact O-ND2 2.93Å |
| 149 | H | 56.8 | Low | 61.7 | Low | 160 Ų | 160 | 133 Ų | 133 | 74% | 0.741 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -13.4 | 173.1 | -161.2 | -54.2 | 0 | 0 | 0 | 112 | T145 K146 I147 | T145-H149 PolarHBondContact O-N 3.22Å; K146-H149 PolarHBondContact O-N 3.21Å; K146-H149 VanDerWaalsContact O-N 3.17Å; I147-H149 PolarHBondContact O-N 3.27Å; I147-H149 VanDerWaalsContact O-N 3.12Å |
| 150 | H | 54.5 | Low | 61.1 | Low | 154 Ų | 154 | 126.2 Ų | 126.2 | 71% | 0.713 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -90.2 | -7.3 | 179.3 | -95.9 | -75.8 | 0 | 0 | 0 | 114.7 | I147 K152 | I147-H150 PolarHBondContact O-N 2.76Å; I147-H150 VanDerWaalsContact O-N 3.07Å; H150-K152 PolarHBondContact O-N 3.12Å |
| 151 | D | 54.8 | Low | 60.8 | Low | 115 Ų | 115 | 127.5 Ų | 127.5 | 62% | 0.615 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -67.1 | 104.5 | 162.5 | -74.8 | -18.2 | 0 | 0 | 0 | 107.8 | I153 | D151-I153 PolarHBondContact O-N 3.13Š|
| 152 | K | 54.4 | Low | 60.8 | Low | 203 Ų | 203 | 125.4 Ų | 125.4 | 88% | 0.883 | 61% | 0.614 | S | S | * | * | trans | -55.7 | 88.9 | 167.4 | -83.9 | 175.6 | 172.2 | 176 | 0 | 107.7 | H150 N154 | H150-K152 PolarHBondContact O-N 3.12Å; K152-N154 PolarHBondContact O-N 3.34Å | ||
| 153 | I | 58.9 | Low | 60.9 | Low | 91 Ų | 91 | 123.8 Ų | 123.8 | 47% | 0.467 | 61% | 0.609 | S | S | . | * | trans | -68.3 | 93.7 | 171.5 | -62.5 | 164 | 0 | 0 | 0 | 105.6 | D151 G155 K158 | D151-I153 PolarHBondContact O-N 3.13Å; I153-G155 PolarHBondContact O-N 3.13Å; I153-K158 HydrophobicContact CB-CD 4.44Å; I153-K158 HydrophobicContact CG2-CD 3.68Å; I153-K158 VanDerWaalsContact CG2-CE 3.49Å; I153-K158 HydrophobicContact CG2-CG 3.75Å | ||
| 154 | N | 57.3 | Low | 61.6 | Low | 137 Ų | 137 | 126.7 Ų | 126.7 | 73% | 0.733 | 62% | 0.615 | S | S | * | * | trans | -39.1 | 112.5 | 173.3 | -103.4 | -23.2 | 0 | 0 | 0 | 109 | K152 K156 R157 | K152-N154 PolarHBondContact O-N 3.34Å; N154-K156 PolarHBondContact O-N 3.06Å; N154-R157 PolarHBondContact O-N 2.93Å; N154-R157 VanDerWaalsContact O-N 3.13Å | ||
| 155 | G | 53.5 | Low | 62.9 | Low | 56 Ų | 56 | 128.1 Ų | 128.1 | 58% | 0.577 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -55.5 | -18.2 | -168 | 0 | 0 | 0 | 0 | 0 | 114.6 | I153 S159 | I153-G155 PolarHBondContact O-N 3.13Å; G155-S159 PolarHBondContact O-N 3.03Å; G155-S159 PolarHBondContact O-OG 2.98Å |
| 156 | K | 55.1 | Low | 63.8 | Low | 182 Ų | 182 | 130.2 Ų | 130.2 | 79% | 0.791 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.1 | -32.6 | 178.6 | -64.6 | -173.3 | 178.5 | -177.1 | 0 | 114.6 | N154 S159 A160 | N154-K156 PolarHBondContact O-N 3.06Å; K156-S159 PolarHBondContact O-OG 3.41Å; K156-A160 PolarHBondContact O-N 3.22Å |
| 157 | R | 54.6 | Low | 65.2 | Low | 215 Ų | 215 | 128.8 Ų | 128.8 | 81% | 0.811 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -81.5 | -30.8 | -177.3 | -154.7 | 174.9 | -171 | 166.6 | 2.6 | 112.7 | N154 R161 | N154-R157 PolarHBondContact O-N 2.93Å; N154-R157 VanDerWaalsContact O-N 3.13Å; R157-R161 PolarHBondContact O-N 2.86Å |
| 158 | K | 55.5 | Low | 66.7 | Low | 116 Ų | 116 | 132.7 Ų | 132.7 | 50% | 0.504 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -72.6 | -38.1 | 175.5 | -79.9 | -178.4 | 171.8 | 171.4 | 0 | 111.9 | I153 K162 | I153-K158 HydrophobicContact CB-CD 4.44Å; I153-K158 HydrophobicContact CG2-CD 3.68Å; I153-K158 VanDerWaalsContact CG2-CE 3.49Å; I153-K158 HydrophobicContact CG2-CG 3.75Å; K158-K162 WeakPolarHBondContact O-CB 3.44Å; K158-K162 WeakPolarHBondContact O-CG 3.5Å; K158-K162 PolarHBondContact O-N 2.8Å |
| 159 | S | 61.1 | Low | 68.3 | Low | 56 Ų | 56 | 130.1 Ų | 130.1 | 39% | 0.392 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.3 | -45.5 | 175.7 | 57.1 | 0 | 0 | 0 | 0 | 111.8 | G155 K156 R161 K162 Q163 | G155-S159 PolarHBondContact O-N 3.03Å; G155-S159 PolarHBondContact O-OG 2.98Å; K156-S159 PolarHBondContact O-OG 3.41Å; S159-R161 PolarHBondContact O-N 2.8Å; S159-K162 PolarHBondContact O-N 2.95Å; S159-Q163 WeakPolarHBondContact O-CB 3.39Å; S159-Q163 WeakPolarHBondContact O-CG 3.5Å; S159-Q163 PolarHBondContact O-N 2.75Å |
| 160 | A | 68.6 | Low | 69.8 | Low | 42 Ų | 42 | 126.9 Ų | 126.9 | 35% | 0.347 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.2 | -41.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K156 K164 | K156-A160 PolarHBondContact O-N 3.22Å; A160-K164 WeakPolarHBondContact O-CG 3.34Å; A160-K164 PolarHBondContact O-N 2.96Å |
| 161 | R | 73.4 | Confident | 71.6 | Confident | 182 Ų | 182 | 123.3 Ų | 123.3 | 69% | 0.687 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68 | -39.8 | 176.3 | -168 | 178.1 | 177.3 | 176.3 | -0.1 | 111.9 | R157 S159 K164 M165 | R157-R161 PolarHBondContact O-N 2.86Å; S159-R161 PolarHBondContact O-N 2.8Å; R161-K164 PolarHBondContact O-N 2.92Å; R161-M165 HydrophobicContact CG-CE 4.23Å; R161-M165 WeakPolarHBondContact O-CG 3.21Å; R161-M165 PolarHBondContact O-N 3.34Å |
| 162 | K | 75.2 | Confident | 73.3 | Confident | 148 Ų | 148 | 123.3 Ų | 123.3 | 64% | 0.643 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.8 | -43.7 | 175 | -80.1 | -176.5 | 174.2 | -171.2 | 0 | 112 | K158 S159 M165 F166 | K158-K162 WeakPolarHBondContact O-CB 3.44Å; K158-K162 WeakPolarHBondContact O-CG 3.5Å; K158-K162 PolarHBondContact O-N 2.8Å; S159-K162 PolarHBondContact O-N 2.95Å; K162-M165 HydrophobicContact CG-CE 4.3Å; K162-M165 PolarHBondContact O-N 3.29Å; K162-F166 WeakPolarHBondContact O-CB 3.22Å; K162-F166 PolarHBondContact O-N 3.13Å |
| 163 | Q | 75.5 | Confident | 74.7 | Confident | 127 Ų | 127 | 122 Ų | 122 | 59% | 0.593 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61 | -44 | 175.1 | -78.2 | 175.8 | -19.4 | 0 | 0 | 111.7 | S159 M165 F166 Q167 | S159-Q163 WeakPolarHBondContact O-CB 3.39Å; S159-Q163 WeakPolarHBondContact O-CG 3.5Å; S159-Q163 PolarHBondContact O-N 2.75Å; Q163-M165 VanDerWaalsContact C-N 3.34Å; Q163-M165 PolarHBondContact O-N 3.1Å; Q163-F166 PolarHBondContact O-N 2.89Å; Q163-Q167 WeakPolarHBondContact O-CB 3.33Å; Q163-Q167 WeakPolarHBondContact O-CG 3.36Å; Q163-Q167 PolarHBondContact O-N 3.19Å |
| 164 | K | 85.9 | Confident | 76 | Confident | 143 Ų | 143 | 125 Ų | 125 | 62% | 0.622 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.1 | -38.5 | 174.7 | -75.2 | -177.1 | -179.9 | -172.1 | 0 | 113 | A160 R161 R168 | A160-K164 WeakPolarHBondContact O-CG 3.34Å; A160-K164 PolarHBondContact O-N 2.96Å; R161-K164 PolarHBondContact O-N 2.92Å; K164-R168 WeakPolarHBondContact O-CB 3.4Å; K164-R168 WeakPolarHBondContact O-CG 3.36Å; K164-R168 PolarHBondContact O-N 3.23Å |
| 165 | M | 87.3 | Confident | 77.3 | Confident | 102 Ų | 102 | 125.7 Ų | 125.7 | 50% | 0.502 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.6 | -39.1 | 175.2 | -73.3 | -174.6 | -63.7 | 0 | 0 | 111.9 | R161 K162 Q163 R168 A169 | R161-M165 HydrophobicContact CG-CE 4.23Å; R161-M165 WeakPolarHBondContact O-CG 3.21Å; R161-M165 PolarHBondContact O-N 3.34Å; K162-M165 HydrophobicContact CG-CE 4.3Å; K162-M165 PolarHBondContact O-N 3.29Å; Q163-M165 VanDerWaalsContact C-N 3.34Å; Q163-M165 PolarHBondContact O-N 3.1Å; M165-R168 PolarHBondContact O-N 3.29Å; M165-A169 WeakPolarHBondContact O-CB 3.29Å; M165-A169 PolarHBondContact O-N 2.77Å |
| 166 | F | 84.5 | Confident | 78.6 | Confident | 132 Ų | 132 | 125.9 Ų | 125.9 | 58% | 0.579 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.5 | -44.1 | 176.4 | -171 | -103.2 | 0 | 0 | 0 | 112 | K162 Q163 R168 A169 Q170 | K162-F166 WeakPolarHBondContact O-CB 3.22Å; K162-F166 PolarHBondContact O-N 3.13Å; Q163-F166 PolarHBondContact O-N 2.89Å; F166-R168 PolarHBondContact O-N 2.83Å; F166-A169 PolarHBondContact O-N 3.41Å; F166-Q170 HydrophobicContact CD1-CG 4.46Å; F166-Q170 HydrophobicContact CE1-CG 4.23Å; F166-Q170 WeakPolarHBondContact O-CG 3.42Å; F166-Q170 PolarHBondContact O-N 2.97Å |
| 167 | Q | 87.4 | Confident | 79.7 | Confident | 124 Ų | 124 | 121.1 Ų | 121.1 | 58% | 0.579 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -60.1 | -44.2 | 173.2 | -74.7 | 175.4 | -14.1 | 0 | 0 | 111.8 | Q163 A169 Q170 E171 | Q163-Q167 WeakPolarHBondContact O-CB 3.33Å; Q163-Q167 WeakPolarHBondContact O-CG 3.36Å; Q163-Q167 PolarHBondContact O-N 3.19Å; Q167-A169 VanDerWaalsContact C-N 3.35Å; Q167-A169 PolarHBondContact O-N 2.96Å; Q167-Q170 PolarHBondContact O-N 3.43Å; Q167-E171 WeakPolarHBondContact O-CB 3.47Å; Q167-E171 PolarHBondContact O-N 3.46Å |
| 168 | R | 90.3 | Very high | 81 | Confident | 191 Ų | 191 | 114.6 Ų | 114.6 | 72% | 0.721 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.1 | -38.5 | 175.3 | -79.1 | -177.4 | 179.7 | -169.5 | -1.1 | 113 | K164 M165 F166 E171 L172 | K164-R168 WeakPolarHBondContact O-CB 3.4Å; K164-R168 WeakPolarHBondContact O-CG 3.36Å; K164-R168 PolarHBondContact O-N 3.23Å; M165-R168 PolarHBondContact O-N 3.29Å; F166-R168 PolarHBondContact O-N 2.83Å; R168-E171 PolarHBondContact O-N 3.21Å; R168-L172 WeakPolarHBondContact O-CG 3.26Å; R168-L172 PolarHBondContact O-N 3.42Å |
| 169 | A | 88.9 | Confident | 81.8 | Confident | 57 Ų | 57 | 115.8 Ų | 115.8 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.4 | -39.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M165 F166 Q167 R173 | M165-A169 WeakPolarHBondContact O-CB 3.29Å; M165-A169 PolarHBondContact O-N 2.77Å; F166-A169 PolarHBondContact O-N 3.41Å; Q167-A169 VanDerWaalsContact C-N 3.35Å; Q167-A169 PolarHBondContact O-N 2.96Å; A169-R173 WeakPolarHBondContact O-CB 3.39Å; A169-R173 PolarHBondContact O-N 3.48Å |
| 170 | Q | 89.9 | Confident | 82.2 | Confident | 91 Ų | 91 | 118.4 Ų | 118.4 | 43% | 0.425 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 173.9 | -74.3 | -174.8 | -27.7 | 0 | 0 | 112.3 | F166 Q167 R173 R174 | F166-Q170 HydrophobicContact CD1-CG 4.46Å; F166-Q170 HydrophobicContact CE1-CG 4.23Å; F166-Q170 WeakPolarHBondContact O-CG 3.42Å; F166-Q170 PolarHBondContact O-N 2.97Å; Q167-Q170 PolarHBondContact O-N 3.43Å; Q170-R173 WeakPolarHBondContact O-CB 3.04Å; Q170-R173 PolarHBondContact O-N 2.87Å; Q170-R174 WeakPolarHBondContact O-CG 3.46Å; Q170-R174 PolarHBondContact O-N 2.89Å |
| 171 | E | 90.7 | Very high | 82.1 | Confident | 79 Ų | 79 | 121 Ų | 121 | 37% | 0.369 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 176 | -179.2 | 64.1 | -166.1 | 0 | 0 | 111.8 | Q167 R168 R173 R174 R175 | Q167-E171 WeakPolarHBondContact O-CB 3.47Å; Q167-E171 PolarHBondContact O-N 3.46Å; R168-E171 PolarHBondContact O-N 3.21Å; E171-R173 VanDerWaalsContact C-N 3.3Å; E171-R173 PolarHBondContact O-N 3.24Å; E171-R174 PolarHBondContact O-N 2.92Å; E171-R175 WeakPolarHBondContact O-CG 3.44Å; E171-R175 PolarHBondContact O-N 3.43Å; E171-R175 IonicContact OE1-CZ 3.77Å; E171-R175 IonicContact OE1-NE 3.59Å; E171-R175 PolarHBondContact OE1-NE 3Å; E171-R175 IonicContact OE1-NH2 3.82Å; E171-R175 PolarHBondContact OE1-NH2 2.84Å |
| 172 | L | 90.3 | Very high | 81.9 | Confident | 116 Ų | 116 | 117.8 Ų | 117.8 | 61% | 0.607 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.7 | -39.2 | 174.9 | -74.9 | 171.5 | 0 | 0 | 0 | 112 | R168 R175 A176 | R168-L172 WeakPolarHBondContact O-CG 3.26Å; R168-L172 PolarHBondContact O-N 3.42Å; L172-R175 PolarHBondContact O-N 3.38Å; L172-A176 WeakPolarHBondContact O-CB 3.15Å; L172-A176 PolarHBondContact O-N 3.02Å |
| 173 | R | 85.3 | Confident | 81.7 | Confident | 174 Ų | 174 | 117.3 Ų | 117.3 | 66% | 0.657 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.1 | -45.7 | 175.5 | -176.8 | 178.3 | 173.3 | 164.7 | 3.3 | 111.7 | A169 Q170 E171 R175 A176 E177 | A169-R173 WeakPolarHBondContact O-CB 3.39Å; A169-R173 PolarHBondContact O-N 3.48Å; Q170-R173 WeakPolarHBondContact O-CB 3.04Å; Q170-R173 PolarHBondContact O-N 2.87Å; E171-R173 VanDerWaalsContact C-N 3.3Å; E171-R173 PolarHBondContact O-N 3.24Å; R173-R175 VanDerWaalsContact C-N 3.35Å; R173-R175 PolarHBondContact O-N 3.24Å; R173-A176 PolarHBondContact O-N 3.25Å; R173-E177 WeakPolarHBondContact CG-OE1 3.46Å; R173-E177 IonicContact CZ-OE1 3.37Å; R173-E177 IonicContact NE-OE1 3.04Å; R173-E177 PolarHBondContact NE-OE1 3.36Å; R173-E177 IonicContact NH2-OE1 2.87Å; R173-E177 WeakPolarHBondContact O-CG 3.34Å; R173-E177 PolarHBondContact O-N 3.24Å |
| 174 | R | 85.7 | Confident | 81.2 | Confident | 156 Ų | 156 | 112.9 Ų | 112.9 | 59% | 0.589 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60 | -44.3 | 175.8 | -73.7 | 179.3 | 178.6 | 177.9 | -1.7 | 111.6 | Q170 E171 A176 E177 D178 | Q170-R174 WeakPolarHBondContact O-CG 3.46Å; Q170-R174 PolarHBondContact O-N 2.89Å; E171-R174 PolarHBondContact O-N 2.92Å; R174-A176 VanDerWaalsContact C-N 3.34Å; R174-A176 PolarHBondContact O-N 3.43Å; R174-E177 PolarHBondContact O-N 3.33Å; R174-D178 WeakPolarHBondContact O-CB 3.49Å; R174-D178 VanDerWaalsContact O-CG 3.3Å; R174-D178 PolarHBondContact O-N 3.46Å |
| 175 | R | 84.9 | Confident | 80.5 | Confident | 151 Ų | 151 | 109.4 Ų | 109.4 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.9 | -38.3 | 176 | -71 | 179.9 | -166.9 | 178.3 | 0.7 | 113.3 | E171 L172 R173 D178 Y179 | E171-R175 WeakPolarHBondContact O-CG 3.44Å; E171-R175 PolarHBondContact O-N 3.43Å; E171-R175 IonicContact OE1-CZ 3.77Å; E171-R175 IonicContact OE1-NE 3.59Å; E171-R175 PolarHBondContact OE1-NE 3Å; E171-R175 IonicContact OE1-NH2 3.82Å; E171-R175 PolarHBondContact OE1-NH2 2.84Å; L172-R175 PolarHBondContact O-N 3.38Å; R173-R175 VanDerWaalsContact C-N 3.35Å; R173-R175 PolarHBondContact O-N 3.24Å; R175-D178 PolarHBondContact O-N 3.02Å; R175-Y179 VanDerWaalsContact O-CB 3.25Å; R175-Y179 WeakPolarHBondContact O-CB 3.44Å; R175-Y179 PolarHBondContact O-N 3.47Å |
| 176 | A | 80.9 | Confident | 79.6 | Confident | 59 Ų | 59 | 109.4 Ų | 109.4 | 49% | 0.488 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.9 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L172 R173 R174 Y179 H180 | L172-A176 WeakPolarHBondContact O-CB 3.15Å; L172-A176 PolarHBondContact O-N 3.02Å; R173-A176 PolarHBondContact O-N 3.25Å; R174-A176 VanDerWaalsContact C-N 3.34Å; R174-A176 PolarHBondContact O-N 3.43Å; A176-Y179 PolarHBondContact O-N 3.36Å; A176-H180 WeakPolarHBondContact O-CB 3.45Å; A176-H180 PolarHBondContact O-N 2.99Å |
| 177 | E | 78.8 | Confident | 78.7 | Confident | 83 Ų | 83 | 107.6 Ų | 107.6 | 39% | 0.388 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 174.9 | -72.5 | 172.8 | -165.6 | 0 | 0 | 111.3 | R173 R174 H180 K181 | R173-E177 WeakPolarHBondContact CG-OE1 3.46Å; R173-E177 IonicContact CZ-OE1 3.37Å; R173-E177 IonicContact NE-OE1 3.04Å; R173-E177 PolarHBondContact NE-OE1 3.36Å; R173-E177 IonicContact NH2-OE1 2.87Å; R173-E177 WeakPolarHBondContact O-CG 3.34Å; R173-E177 PolarHBondContact O-N 3.24Å; R174-E177 PolarHBondContact O-N 3.33Å; E177-H180 PolarHBondContact O-N 3.42Å; E177-K181 VanDerWaalsContact O-CG 3.29Å; E177-K181 WeakPolarHBondContact O-CG 3.39Å; E177-K181 PolarHBondContact O-N 2.94Å |
| 178 | D | 81.3 | Confident | 77.7 | Confident | 78 Ų | 78 | 103.5 Ų | 103.5 | 42% | 0.417 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.9 | -37.8 | 177.9 | -68.3 | -22.2 | 0 | 0 | 0 | 112.2 | R174 R175 H180 K181 C182 | R174-D178 WeakPolarHBondContact O-CB 3.49Å; R174-D178 VanDerWaalsContact O-CG 3.3Å; R174-D178 PolarHBondContact O-N 3.46Å; R175-D178 PolarHBondContact O-N 3.02Å; D178-H180 VanDerWaalsContact C-N 3.33Å; D178-H180 PolarHBondContact O-N 3.24Å; D178-K181 WeakPolarHBondContact O-CB 3.42Å; D178-K181 PolarHBondContact O-N 3.28Å; D178-K181 IonicContact OD1-NZ 3.19Å; D178-K181 PolarHBondContact OD1-NZ 2.98Å; D178-C182 WeakPolarHBondContact O-CB 3.44Å; D178-C182 PolarHBondContact O-N 2.95Å; D178-C182 PolarHBondContact O-SG 2.89Å |
| 179 | Y | 71.7 | Confident | 76.5 | Confident | 141 Ų | 141 | 98.7 Ų | 98.7 | 55% | 0.553 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.1 | -42.3 | 170.9 | -177.2 | -99.1 | 0 | 0 | 0 | 112.1 | R175 A176 K181 C182 K183 | R175-Y179 VanDerWaalsContact O-CB 3.25Å; R175-Y179 WeakPolarHBondContact O-CB 3.44Å; R175-Y179 PolarHBondContact O-N 3.47Å; A176-Y179 PolarHBondContact O-N 3.36Å; Y179-K181 VanDerWaalsContact C-N 3.35Å; Y179-C182 PolarHBondContact O-N 3.06Å; Y179-K183 HydrophobicContact CD1-CD 4.31Å; Y179-K183 HydrophobicContact CE1-CD 3.6Å; Y179-K183 HydrophobicContact CE1-CG 4.34Å; Y179-K183 HydrophobicContact CE2-CD 4.44Å; Y179-K183 WeakPolarHBondContact O-CB 3.44Å; Y179-K183 PolarHBondContact O-N 3.38Å; Y179-K183 WeakPolarHBondContact OH-CE 3.39Å; Y179-K183 PolarHBondContact OH-NZ 3.3Å |
| 180 | H | 69.4 | Low | 75.6 | Confident | 110 Ų | 110 | 103.1 Ų | 103.1 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.7 | -38.1 | 175.4 | -171.6 | 72.5 | 0 | 0 | 0 | 111.9 | A176 E177 D178 I184 | A176-H180 WeakPolarHBondContact O-CB 3.45Å; A176-H180 PolarHBondContact O-N 2.99Å; E177-H180 PolarHBondContact O-N 3.42Å; D178-H180 VanDerWaalsContact C-N 3.33Å; D178-H180 PolarHBondContact O-N 3.24Å; H180-I184 WeakPolarHBondContact CE1-CD1 3.48Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.46Å; H180-I184 PolarHBondContact O-N 2.98Å |
| 181 | K | 66.8 | Low | 74.5 | Confident | 98 Ų | 98 | 101.7 Ų | 101.7 | 43% | 0.426 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 172.3 | -71.9 | 171.5 | -166.3 | 161.7 | 0 | 111.3 | E177 D178 Y179 K183 I184 R189 | E177-K181 VanDerWaalsContact O-CG 3.29Å; E177-K181 WeakPolarHBondContact O-CG 3.39Å; E177-K181 PolarHBondContact O-N 2.94Å; D178-K181 WeakPolarHBondContact O-CB 3.42Å; D178-K181 PolarHBondContact O-N 3.28Å; D178-K181 IonicContact OD1-NZ 3.19Å; D178-K181 PolarHBondContact OD1-NZ 2.98Å; Y179-K181 VanDerWaalsContact C-N 3.35Å; K181-K183 VanDerWaalsContact C-N 3.31Å; K181-K183 PolarHBondContact O-N 2.93Å; K181-I184 PolarHBondContact O-N 2.88Å; K181-I184 VanDerWaalsContact O-O 3.09Å; K181-R189 VanDerWaalsContact CB-NH2 3.32Å; K181-R189 PolarHBondContact O-NH2 3.03Å |
| 182 | C | 68.5 | Low | 73.4 | Confident | 114 Ų | 114 | 102.4 Ų | 102.4 | 77% | 0.77 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.3 | -29.1 | -178.7 | -67.7 | 0 | 0 | 0 | 0 | 113.2 | D178 Y179 | D178-C182 WeakPolarHBondContact O-CB 3.44Å; D178-C182 PolarHBondContact O-N 2.95Å; D178-C182 PolarHBondContact O-SG 2.89Å; Y179-C182 PolarHBondContact O-N 3.06Å |
| 183 | K | 70.6 | Confident | 72.3 | Confident | 138 Ų | 138 | 100.6 Ų | 100.6 | 60% | 0.6 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -82.4 | -25 | 178.4 | -84.7 | -162.3 | 163.4 | -175.3 | 0 | 115 | Y179 K181 | Y179-K183 HydrophobicContact CD1-CD 4.31Å; Y179-K183 HydrophobicContact CE1-CD 3.6Å; Y179-K183 HydrophobicContact CE1-CG 4.34Å; Y179-K183 HydrophobicContact CE2-CD 4.44Å; Y179-K183 WeakPolarHBondContact O-CB 3.44Å; Y179-K183 PolarHBondContact O-N 3.38Å; Y179-K183 WeakPolarHBondContact OH-CE 3.39Å; Y179-K183 PolarHBondContact OH-NZ 3.3Å; K181-K183 VanDerWaalsContact C-N 3.31Å; K181-K183 PolarHBondContact O-N 2.93Å |
| 184 | I | 66.6 | Low | 71.7 | Confident | 33 Ų | 33 | 96.4 Ų | 96.4 | 17% | 0.169 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -107.8 | 113.3 | -178.1 | -53.7 | -174 | 0 | 0 | 0 | 109.7 | H180 K181 A188 R189 | H180-I184 WeakPolarHBondContact CE1-CD1 3.48Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.46Å; H180-I184 PolarHBondContact O-N 2.98Å; K181-I184 PolarHBondContact O-N 2.88Å; K181-I184 VanDerWaalsContact O-O 3.09Å; I184-A188 HydrophobicContact CG2-CB 3.74Å; I184-R189 HydrophobicContact CB-CG 4.01Å; I184-R189 HydrophobicContact CG2-CB 4.48Å; I184-R189 HydrophobicContact CG2-CG 3.49Å; I184-R189 VanDerWaalsContact CG2-CG 3.49Å; I184-R189 PolarHBondContact O-NE 3.36Å; I184-R189 VanDerWaalsContact O-NE 3.08Å; I184-R189 PolarHBondContact O-NH2 2.86Å |
| 185 | P | 71.5 | Confident | 71 | Confident | 71 Ų | 71 | 97.4 Ų | 97.4 | 46% | 0.461 | 51% | 0.506 | S | S | . | . | trans | -59.5 | 146.3 | 177.3 | 21.2 | -28.7 | 0 | 0 | 0 | 110.4 | S187 A188 R189 | P185-S187 PolarHBondContact O-N 2.84Å; P185-A188 HydrophobicContact CG-CB 3.88Å; P185-A188 PolarHBondContact O-N 2.84Å; P185-R189 PolarHBondContact O-N 3.34Å | ||
| 186 | P | 67.1 | Low | 70.4 | Confident | 102 Ų | 102 | 94 Ų | 94 | 66% | 0.662 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -52.6 | -34.2 | -175 | -27.8 | 34.4 | 0 | 0 | 0 | 114.1 | R189 K190 | P186-R189 PolarHBondContact O-N 3.19Å; P186-K190 PolarHBondContact O-N 3.41Å |
| 187 | S | 65.9 | Low | 69.8 | Low | 94 Ų | 94 | 100.4 Ų | 100.4 | 66% | 0.657 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.9 | -43.4 | 175.8 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | P185 R189 K190 A191 | P185-S187 PolarHBondContact O-N 2.84Å; S187-R189 VanDerWaalsContact C-N 3.33Å; S187-R189 PolarHBondContact O-N 2.96Å; S187-K190 PolarHBondContact O-N 3.42Å; S187-A191 PolarHBondContact O-N 3.15Å |
| 188 | A | 65.7 | Low | 69.2 | Low | 38 Ų | 38 | 102.4 Ų | 102.4 | 31% | 0.314 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.3 | -28.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | I184 P185 A191 L192 | I184-A188 HydrophobicContact CG2-CB 3.74Å; P185-A188 HydrophobicContact CG-CB 3.88Å; P185-A188 PolarHBondContact O-N 2.84Å; A188-A191 PolarHBondContact O-N 2.92Å; A188-L192 WeakPolarHBondContact O-CB 3.46Å; A188-L192 PolarHBondContact O-N 2.87Å |
| 189 | R | 66.9 | Low | 68.3 | Low | 89 Ų | 89 | 100.4 Ų | 100.4 | 34% | 0.336 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65 | -39.1 | 173.5 | -60.6 | -170.7 | -157.6 | 158.5 | 12 | 112.1 | K181 I184 P185 P186 S187 L192 C193 | K181-R189 VanDerWaalsContact CB-NH2 3.32Å; K181-R189 PolarHBondContact O-NH2 3.03Å; I184-R189 HydrophobicContact CB-CG 4.01Å; I184-R189 HydrophobicContact CG2-CB 4.48Å; I184-R189 HydrophobicContact CG2-CG 3.49Å; I184-R189 VanDerWaalsContact CG2-CG 3.49Å; I184-R189 PolarHBondContact O-NE 3.36Å; I184-R189 VanDerWaalsContact O-NE 3.08Å; I184-R189 PolarHBondContact O-NH2 2.86Å; P185-R189 PolarHBondContact O-N 3.34Å; P186-R189 PolarHBondContact O-N 3.19Å; S187-R189 VanDerWaalsContact C-N 3.33Å; S187-R189 PolarHBondContact O-N 2.96Å; R189-L192 PolarHBondContact O-N 2.85Å; R189-C193 WeakPolarHBondContact O-CB 3.47Å; R189-C193 PolarHBondContact O-N 3.48Å; R189-C193 PolarHBondContact O-SG 3.18Å; R189-C193 VanDerWaalsContact O-SG 3.36Å |
| 190 | K | 68.1 | Low | 67.8 | Low | 151 Ų | 151 | 95.8 Ų | 95.8 | 66% | 0.657 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.4 | -42 | 178.2 | -162.9 | 175.7 | -176.5 | -178.2 | 0 | 111 | P186 S187 N194 | P186-K190 PolarHBondContact O-N 3.41Å; S187-K190 PolarHBondContact O-N 3.42Å; K190-N194 WeakPolarHBondContact O-CB 3.5Å; K190-N194 PolarHBondContact O-N 3.04Å; K190-N194 PolarHBondContact O-ND2 3.28Å |
| 191 | A | 68.7 | Low | 67.3 | Low | 60 Ų | 60 | 92 Ų | 92 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S187 A188 N194 W195 | S187-A191 PolarHBondContact O-N 3.15Å; A188-A191 PolarHBondContact O-N 2.92Å; A191-N194 PolarHBondContact O-N 2.97Å; A191-W195 WeakPolarHBondContact O-CB 3.33Å; A191-W195 PolarHBondContact O-N 3.42Å |
| 192 | L | 67.8 | Low | 66.8 | Low | 94 Ų | 94 | 94 Ų | 94 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.9 | -42.1 | 179.1 | -148.2 | 118.3 | 0 | 0 | 0 | 112.2 | A188 R189 W195 V196 | A188-L192 WeakPolarHBondContact O-CB 3.46Å; A188-L192 PolarHBondContact O-N 2.87Å; R189-L192 PolarHBondContact O-N 2.85Å; L192-W195 PolarHBondContact O-N 2.91Å; L192-V196 WeakPolarHBondContact O-CB 3.17Å; L192-V196 VanDerWaalsContact O-CG2 3.29Å; L192-V196 WeakPolarHBondContact O-CG2 3.47Å; L192-V196 PolarHBondContact O-N 3.4Å |
| 193 | C | 66.9 | Low | 66.1 | Low | 79 Ų | 79 | 95.6 Ų | 95.6 | 53% | 0.534 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 174.1 | -75.9 | 0 | 0 | 0 | 0 | 112.3 | R189 R197 | R189-C193 WeakPolarHBondContact O-CB 3.47Å; R189-C193 PolarHBondContact O-N 3.48Å; R189-C193 PolarHBondContact O-SG 3.18Å; R189-C193 VanDerWaalsContact O-SG 3.36Å; C193-R197 WeakPolarHBondContact O-CB 3.37Å; C193-R197 WeakPolarHBondContact O-CG 3.36Å; C193-R197 PolarHBondContact O-N 3.34Å |
| 194 | N | 72.1 | Confident | 65.1 | Low | 86 Ų | 86 | 97.7 Ų | 97.7 | 46% | 0.46 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 175.4 | -74.5 | -9 | 0 | 0 | 0 | 111.3 | K190 A191 R197 M198 | K190-N194 WeakPolarHBondContact O-CB 3.5Å; K190-N194 PolarHBondContact O-N 3.04Å; K190-N194 PolarHBondContact O-ND2 3.28Å; A191-N194 PolarHBondContact O-N 2.97Å; N194-R197 PolarHBondContact O-N 2.82Å; N194-M198 WeakPolarHBondContact O-CB 3.22Å; N194-M198 WeakPolarHBondContact O-CG 3.43Å; N194-M198 PolarHBondContact O-N 3.47Å |
| 195 | W | 71.2 | Confident | 64.4 | Low | 177 Ų | 177 | 104.1 Ų | 104.1 | 67% | 0.67 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.4 | -44.4 | 175.7 | -177.1 | 74.2 | 0 | 0 | 0 | 112.2 | A191 L192 R197 M198 A199 | A191-W195 WeakPolarHBondContact O-CB 3.33Å; A191-W195 PolarHBondContact O-N 3.42Å; L192-W195 PolarHBondContact O-N 2.91Å; W195-R197 VanDerWaalsContact C-N 3.31Å; W195-R197 PolarHBondContact O-N 3.29Å; W195-M198 PolarHBondContact O-N 3.48Å; W195-A199 WeakPolarHBondContact O-CB 3.43Å; W195-A199 PolarHBondContact O-N 3.2Å |
| 196 | V | 71.9 | Confident | 63.6 | Low | 80 Ų | 80 | 106 Ų | 106 | 49% | 0.485 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.5 | -38 | 174.3 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | L192 A200 | L192-V196 WeakPolarHBondContact O-CB 3.17Å; L192-V196 VanDerWaalsContact O-CG2 3.29Å; L192-V196 WeakPolarHBondContact O-CG2 3.47Å; L192-V196 PolarHBondContact O-N 3.4Å; V196-A200 WeakPolarHBondContact O-CB 3.49Å; V196-A200 PolarHBondContact O-N 3Å |
| 197 | R | 68.2 | Low | 63 | Low | 192 Ų | 192 | 103.9 Ų | 103.9 | 73% | 0.725 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.4 | -40 | 174.3 | -77.7 | 179.5 | 108.7 | 162.9 | 4.4 | 112.4 | C193 N194 W195 A201 | C193-R197 WeakPolarHBondContact O-CB 3.37Å; C193-R197 WeakPolarHBondContact O-CG 3.36Å; C193-R197 PolarHBondContact O-N 3.34Å; N194-R197 PolarHBondContact O-N 2.82Å; W195-R197 VanDerWaalsContact C-N 3.31Å; W195-R197 PolarHBondContact O-N 3.29Å; R197-A201 WeakPolarHBondContact O-CB 3.37Å; R197-A201 PolarHBondContact O-N 3.44Å |
| 198 | M | 66.2 | Low | 62.5 | Low | 126 Ų | 126 | 103 Ų | 103 | 62% | 0.621 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.2 | -47.7 | 176 | -69.5 | -123.3 | -51.4 | 0 | 0 | 111.3 | N194 W195 A200 A201 E202 | N194-M198 WeakPolarHBondContact O-CB 3.22Å; N194-M198 WeakPolarHBondContact O-CG 3.43Å; N194-M198 PolarHBondContact O-N 3.47Å; W195-M198 PolarHBondContact O-N 3.48Å; M198-A200 VanDerWaalsContact C-N 3.28Å; M198-A200 PolarHBondContact O-N 3.19Å; M198-A201 CarbonylContact O-C 3.49Å; M198-A201 WeakPolarHBondContact O-CA 3.5Å; M198-A201 WeakPolarHBondContact O-CB 3.25Å; M198-A201 PolarHBondContact O-N 3.36Å; M198-E202 WeakPolarHBondContact O-CB 3.29Å; M198-E202 PolarHBondContact O-N 2.84Å |
| 199 | A | 62.9 | Low | 61.8 | Low | 36 Ų | 36 | 107.9 Ų | 107.9 | 30% | 0.298 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.1 | -40 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | W195 A201 E202 H203 | W195-A199 WeakPolarHBondContact O-CB 3.43Å; W195-A199 PolarHBondContact O-N 3.2Å; A199-A201 VanDerWaalsContact C-N 3.34Å; A199-E202 PolarHBondContact O-N 2.63Å; A199-H203 WeakPolarHBondContact O-CB 3.42Å; A199-H203 PolarHBondContact O-N 2.96Å |
| 200 | A | 60.1 | Low | 60.7 | Low | 43 Ų | 43 | 108.7 Ų | 108.7 | 36% | 0.355 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.3 | -32.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V196 M198 R204 | V196-A200 WeakPolarHBondContact O-CB 3.49Å; V196-A200 PolarHBondContact O-N 3Å; M198-A200 VanDerWaalsContact C-N 3.28Å; M198-A200 PolarHBondContact O-N 3.19Å; A200-R204 WeakPolarHBondContact O-CD 3.45Å; A200-R204 WeakPolarHBondContact O-CG 3.49Å; A200-R204 PolarHBondContact O-N 2.92Å |
| 201 | A | 60.6 | Low | 59.5 | Low | 32 Ų | 32 | 110.9 Ų | 110.9 | 26% | 0.264 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -73.6 | -37 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R197 M198 A199 R204 H205 | R197-A201 WeakPolarHBondContact O-CB 3.37Å; R197-A201 PolarHBondContact O-N 3.44Å; M198-A201 CarbonylContact O-C 3.49Å; M198-A201 WeakPolarHBondContact O-CA 3.5Å; M198-A201 WeakPolarHBondContact O-CB 3.25Å; M198-A201 PolarHBondContact O-N 3.36Å; A199-A201 VanDerWaalsContact C-N 3.34Å; A201-R204 WeakPolarHBondContact O-CA 3.49Å; A201-R204 VanDerWaalsContact O-CB 3.26Å; A201-R204 WeakPolarHBondContact O-CB 3.45Å; A201-R204 PolarHBondContact O-N 2.96Å; A201-R204 VanDerWaalsContact O-N 3.12Å; A201-H205 PolarHBondContact O-CD2 3.37Å; A201-H205 PolarHBondContact O-N 3.24Å |
| 202 | E | 56.5 | Low | 58.4 | Low | 140 Ų | 140 | 119 Ų | 119 | 65% | 0.654 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.5 | -40.8 | 177.7 | -162.3 | 167.3 | -168.2 | 0 | 0 | 110.8 | M198 A199 R204 H205 S206 | M198-E202 WeakPolarHBondContact O-CB 3.29Å; M198-E202 PolarHBondContact O-N 2.84Å; A199-E202 PolarHBondContact O-N 2.63Å; E202-R204 PolarHBondContact O-N 3.24Å; E202-H205 PolarHBondContact O-N 3.06Å; E202-S206 PolarHBondContact O-N 3.08Å |
| 203 | H | 53.1 | Low | 57.4 | Low | 147 Ų | 147 | 117.7 Ų | 117.7 | 68% | 0.681 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.7 | -22.3 | 170.3 | -137.6 | -65.6 | 0 | 0 | 0 | 113 | A199 S207 | A199-H203 WeakPolarHBondContact O-CB 3.42Å; A199-H203 PolarHBondContact O-N 2.96Å; H203-S207 WeakPolarHBondContact O-CB 3.36Å; H203-S207 PolarHBondContact O-OG 3.32Å |
| 204 | R | 50.1 | Low | 56.4 | Low | 181 Ų | 181 | 124.4 Ų | 124.4 | 68% | 0.683 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -77 | -32.4 | 173.8 | -74.8 | 166.9 | -168 | 175.8 | -4 | 113.2 | A200 A201 E202 | A200-R204 WeakPolarHBondContact O-CD 3.45Å; A200-R204 WeakPolarHBondContact O-CG 3.49Å; A200-R204 PolarHBondContact O-N 2.92Å; A201-R204 WeakPolarHBondContact O-CA 3.49Å; A201-R204 VanDerWaalsContact O-CB 3.26Å; A201-R204 WeakPolarHBondContact O-CB 3.45Å; A201-R204 PolarHBondContact O-N 2.96Å; A201-R204 VanDerWaalsContact O-N 3.12Å; E202-R204 PolarHBondContact O-N 3.24Å |
| 205 | H | 51.7 | Low | 55.2 | Low | 169 Ų | 169 | 124.4 Ų | 124.4 | 78% | 0.782 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -78.5 | -26.8 | 178.8 | -70.2 | -64.4 | 0 | 0 | 0 | 112.9 | A201 E202 | A201-H205 PolarHBondContact O-CD2 3.37Å; A201-H205 PolarHBondContact O-N 3.24Å; E202-H205 PolarHBondContact O-N 3.06Å |
| 206 | S | 53.6 | Low | 54.5 | Low | 110 Ų | 110 | 120.2 Ų | 120.2 | 77% | 0.769 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -85.9 | -18.7 | 179.5 | -172.1 | 0 | 0 | 0 | 0 | 114.2 | E202 | E202-S206 PolarHBondContact O-N 3.08Å |
| 207 | S | 56 | Low | 53.5 | Low | 58 Ų | 58 | 120.3 Ų | 120.3 | 41% | 0.406 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -95.4 | -11.2 | -172 | 51.2 | 0 | 0 | 0 | 0 | 115.9 | H203 L209 | H203-S207 WeakPolarHBondContact O-CB 3.36Å; H203-S207 PolarHBondContact O-OG 3.32Å; S207-L209 PolarHBondContact O-N 3.34Å |
| 208 | G | 54.1 | Low | 52.7 | Low | 75 Ų | 75 | 117.3 Ų | 117.3 | 77% | 0.773 | 62% | 0.615 | S | S | * | * | trans | 58.9 | 12.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 209 | L | 50.4 | Low | 52.1 | Low | 140 Ų | 140 | 113.9 Ų | 113.9 | 73% | 0.733 | 60% | 0.602 | S | S | * | * | trans | -88.1 | 134.1 | -174.2 | -80.1 | 164.5 | 0 | 0 | 0 | 111.7 | S207 | S207-L209 PolarHBondContact O-N 3.34Š| ||
| 210 | P | 44.9 | Very low | 51.7 | Low | 106 Ų | 106 | 116.1 Ų | 116.1 | 69% | 0.688 | 61% | 0.608 | S | S | * | * | trans | -65.8 | 137.4 | 178.6 | 25.2 | -31.1 | 0 | 0 | 0 | 111.3 | W212 | P210-W212 PolarHBondContact O-N 3.47Å; P210-W212 VanDerWaalsContact O-N 3.13Å | ||
| 211 | Y | 43.5 | Very low | 51.5 | Low | 197 Ų | 197 | 121.3 Ų | 121.3 | 77% | 0.773 | 62% | 0.623 | S | S | * | * | trans | -55.6 | 110.2 | -179.5 | 173.3 | -107.5 | 0 | 0 | 0 | 111.9 | P213 | Y211-P213 HydrophobicContact CD1-CG 4.16Å; Y211-P213 HydrophobicContact CE1-CB 3.81Å; Y211-P213 HydrophobicContact CE1-CG 3.52Å; Y211-P213 HydrophobicContact CE2-CB 4.41Å; Y211-P213 WeakPolarHBondContact OH-CB 3.33Å | ||
| 212 | W | 45 | Very low | 51.3 | Low | 231 Ų | 231 | 124.8 Ų | 124.8 | 88% | 0.875 | 64% | 0.637 | S | S | * | * | trans | -96.9 | 112.7 | 155.2 | -85.9 | 87.9 | 0 | 0 | 0 | 107.7 | P210 Y214 | P210-W212 PolarHBondContact O-N 3.47Å; P210-W212 VanDerWaalsContact O-N 3.13Å; W212-Y214 PolarHBondContact O-N 3.48Å; W212-Y214 VanDerWaalsContact O-N 3.13Å | ||
| 213 | P | 46.5 | Very low | 51.3 | Low | 66 Ų | 66 | 127 Ų | 127 | 43% | 0.429 | 64% | 0.639 | S | S | . | * | trans | -57.5 | 125.3 | 173.8 | 0.7 | 4.5 | 0 | 0 | 0 | 107.7 | Y211 L215 | Y211-P213 HydrophobicContact CD1-CG 4.16Å; Y211-P213 HydrophobicContact CE1-CB 3.81Å; Y211-P213 HydrophobicContact CE1-CG 3.52Å; Y211-P213 HydrophobicContact CE2-CB 4.41Å; Y211-P213 WeakPolarHBondContact OH-CB 3.33Å; P213-L215 PolarHBondContact O-N 3.44Å | ||
| 214 | Y | 45.9 | Very low | 51.3 | Low | 221 Ų | 221 | 127.2 Ų | 127.2 | 87% | 0.867 | 64% | 0.642 | S | S | * | * | trans | -49.9 | 109.5 | 163.5 | -141.4 | -95 | 0 | 0 | 0 | 106 | W212 T216 | W212-Y214 PolarHBondContact O-N 3.48Å; W212-Y214 VanDerWaalsContact O-N 3.13Å; Y214-T216 PolarHBondContact O-N 3.36Å | ||
| 215 | L | 47.6 | Very low | 51.5 | Low | 85 Ų | 85 | 121.7 Ų | 121.7 | 45% | 0.445 | 64% | 0.642 | S | S | . | * | trans | -54.2 | 107.4 | 173.4 | -84.5 | 157.8 | 0 | 0 | 0 | 106.1 | P213 T219 | P213-L215 PolarHBondContact O-N 3.44Å; L215-T219 HydrophobicContact CD2-CG2 3.42Å; L215-T219 VanDerWaalsContact CD2-CG2 3.42Å | ||
| 216 | T | 55.4 | Low | 51.6 | Low | 90 Ų | 90 | 121 Ų | 121 | 55% | 0.552 | 64% | 0.639 | S | S | * | * | trans | -53.9 | 145.3 | 177.6 | -28.4 | 0 | 0 | 0 | 0 | 107.2 | Y214 E218 T219 L220 | Y214-T216 PolarHBondContact O-N 3.36Å; T216-E218 CarbonylContact O-C 3.59Å; T216-E218 PolarHBondContact O-N 3.35Å; T216-T219 WeakPolarHBondContact O-CB 3.31Å; T216-T219 PolarHBondContact O-N 3.44Å; T216-T219 PolarHBondContact O-OG1 3.48Å; T216-L220 PolarHBondContact O-N 2.95Å | ||
| 217 | A | 51.3 | Low | 51.8 | Low | 82 Ų | 82 | 124.4 Ų | 124.4 | 68% | 0.678 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -52.2 | -28.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L220 K221 | A217-L220 PolarHBondContact O-N 3.46Å; A217-K221 VanDerWaalsContact O-CB 3.31Å; A217-K221 WeakPolarHBondContact O-CB 3.5Å; A217-K221 PolarHBondContact O-N 2.96Å |
| 218 | E | 52.5 | Low | 51.8 | Low | 128 Ų | 128 | 126.9 Ų | 126.9 | 60% | 0.598 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -52.9 | -49.1 | 167.5 | -131.2 | 84.3 | -141.1 | 0 | 0 | 113.5 | T216 K221 N222 | T216-E218 CarbonylContact O-C 3.59Å; T216-E218 PolarHBondContact O-N 3.35Å; E218-K221 PolarHBondContact O-N 3.3Å; E218-N222 VanDerWaalsContact O-CG 3.3Å; E218-N222 PolarHBondContact O-N 3.03Å; E218-N222 PolarHBondContact O-ND2 2.76Å |
| 219 | T | 51.7 | Low | 52.1 | Low | 55 Ų | 55 | 128.8 Ų | 128.8 | 34% | 0.337 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -72.1 | -32.9 | -176.5 | -29.5 | 0 | 0 | 0 | 0 | 111.7 | L215 T216 R223 | L215-T219 HydrophobicContact CD2-CG2 3.42Å; L215-T219 VanDerWaalsContact CD2-CG2 3.42Å; T216-T219 WeakPolarHBondContact O-CB 3.31Å; T216-T219 PolarHBondContact O-N 3.44Å; T216-T219 PolarHBondContact O-OG1 3.48Å; T219-R223 PolarHBondContact O-N 3.05Å |
| 220 | L | 54.8 | Low | 52.5 | Low | 83 Ų | 83 | 127.5 Ų | 127.5 | 44% | 0.435 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -71.9 | -35.9 | 174.8 | -126.9 | 151.8 | 0 | 0 | 0 | 111.4 | T216 A217 R223 M224 | T216-L220 PolarHBondContact O-N 2.95Å; A217-L220 PolarHBondContact O-N 3.46Å; L220-R223 PolarHBondContact O-N 3.29Å; L220-M224 HydrophobicContact CD2-CE 3.29Å; L220-M224 PolarHBondContact O-N 3.34Å; L220-M224 VanDerWaalsContact O-N 3.15Å |
| 221 | K | 55.5 | Low | 52.6 | Low | 151 Ų | 151 | 128.1 Ų | 128.1 | 66% | 0.657 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67.6 | -40 | 174.6 | -171.1 | -178.9 | 166.7 | -168.1 | 0 | 112.2 | A217 E218 R223 M224 G225 | A217-K221 VanDerWaalsContact O-CB 3.31Å; A217-K221 WeakPolarHBondContact O-CB 3.5Å; A217-K221 PolarHBondContact O-N 2.96Å; E218-K221 PolarHBondContact O-N 3.3Å; K221-R223 VanDerWaalsContact C-N 3.29Å; K221-R223 PolarHBondContact O-N 3.35Å; K221-M224 PolarHBondContact O-N 3.41Å; K221-G225 PolarHBondContact O-N 3.3Å |
| 222 | N | 57.5 | Low | 53 | Low | 105 Ų | 105 | 125.3 Ų | 125.3 | 56% | 0.561 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -68 | -27.6 | 176.4 | -68 | -15.7 | 0 | 0 | 0 | 113.1 | E218 H226 | E218-N222 VanDerWaalsContact O-CG 3.3Å; E218-N222 PolarHBondContact O-N 3.03Å; E218-N222 PolarHBondContact O-ND2 2.76Å; N222-H226 PolarHBondContact O-ND1 3.46Å |
| 223 | R | 56.3 | Low | 53.1 | Low | 187 Ų | 187 | 122.6 Ų | 122.6 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -79.1 | -31.3 | 173.8 | -78.5 | -170.9 | 176.6 | -171.9 | -0 | 114.1 | T219 L220 K221 G225 | T219-R223 PolarHBondContact O-N 3.05Å; L220-R223 PolarHBondContact O-N 3.29Å; K221-R223 VanDerWaalsContact C-N 3.29Å; K221-R223 PolarHBondContact O-N 3.35Å; R223-G225 VanDerWaalsContact C-N 3.31Å |
| 224 | M | 54.1 | Low | 53.3 | Low | 151 Ų | 151 | 128.6 Ų | 128.6 | 74% | 0.744 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -76.6 | -16.8 | 175.3 | -73.6 | -170.4 | -147 | 0 | 0 | 113.7 | L220 K221 | L220-M224 HydrophobicContact CD2-CE 3.29Å; L220-M224 PolarHBondContact O-N 3.34Å; L220-M224 VanDerWaalsContact O-N 3.15Å; K221-M224 PolarHBondContact O-N 3.41Å |
| 225 | G | 52.6 | Low | 53.1 | Low | 66 Ų | 66 | 126.7 Ų | 126.7 | 68% | 0.68 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -11.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | K221 R223 | K221-G225 PolarHBondContact O-N 3.3Å; R223-G225 VanDerWaalsContact C-N 3.31Å |
| 226 | H | 54.9 | Low | 53.2 | Low | 155 Ų | 155 | 131.6 Ų | 131.6 | 72% | 0.718 | 72% | 0.723 | S | S | * | * | trans | -95.6 | 113.8 | 177.9 | -74.9 | 77.3 | 0 | 0 | 0 | 109.6 | N222 | N222-H226 PolarHBondContact O-ND1 3.46Š| ||
| 227 | Q | 56.3 | Low | 53 | Low | 181 Ų | 181 | 133.7 Ų | 133.7 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -62 | 141 | 163.9 | -82.1 | -160.6 | 0.2 | 0 | 0 | 109.2 | ||
| 228 | P | 57.1 | Low | 53.1 | Low | 110 Ų | 110 | 136.4 Ų | 136.4 | 71% | 0.714 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 141.5 | 169.5 | 26 | -31.5 | 0 | 0 | 0 | 109.2 | ||
| 229 | P | 60.3 | Low | 53.2 | Low | 115 Ų | 115 | 136.9 Ų | 136.9 | 75% | 0.747 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 145 | 177.2 | 25 | -32.5 | 0 | 0 | 0 | 110 | ||
| 230 | P | 58.8 | Low | 53.3 | Low | 112 Ų | 112 | 141.7 Ų | 141.7 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 147.1 | -179.1 | 25.3 | -32.8 | 0 | 0 | 0 | 110.5 | T232 | P230-T232 PolarHBondContact O-N 3.48Š|
| 231 | P | 46.3 | Very low | 53.2 | Low | 120 Ų | 120 | 145.4 Ų | 145.4 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 121.4 | -178.1 | 25.3 | -32.4 | 0 | 0 | 0 | 109.8 | Q233 | P231-Q233 PolarHBondContact O-N 3.44Š|
| 232 | T | 53.5 | Low | 53 | Low | 137 Ų | 137 | 145 Ų | 145 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 118.5 | 171.9 | -24.4 | 0 | 0 | 0 | 0 | 108.1 | P230 Q234 | P230-T232 PolarHBondContact O-N 3.48Å; T232-Q234 PolarHBondContact O-N 3.28Å |
| 233 | Q | 47.3 | Very low | 52.7 | Low | 175 Ų | 175 | 147.9 Ų | 147.9 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 117.6 | 170 | -69.1 | -152.1 | 21.3 | 0 | 0 | 108.3 | P231 H235 | P231-Q233 PolarHBondContact O-N 3.44Å; Q233-H235 PolarHBondContact O-N 3.19Å |
| 234 | Q | 49.1 | Very low | 52.4 | Low | 192 Ų | 192 | 144.8 Ų | 144.8 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | trans | -74.1 | 115.8 | 161.1 | -73 | -164.3 | -31 | 0 | 0 | 107.2 | T232 | T232-Q234 PolarHBondContact O-N 3.28Š| ||
| 235 | H | 41.5 | Very low | 52.3 | Low | 180 Ų | 180 | 144.3 Ų | 144.3 | 83% | 0.833 | 83% | 0.827 | S | S | * | * | trans | -77.8 | 133.2 | 167.8 | -129.8 | -103.1 | 0 | 0 | 0 | 108.1 | Q233 | Q233-H235 PolarHBondContact O-N 3.19Š| ||
| 236 | S | 49.6 | Very low | 52.2 | Low | 189 Ų | 189 | 151.5 Ų | 151.5 | 100% | 1.322 | 84% | 0.84 | S | S | * | * | trans | -56.7 | 0 | 176.5 | -60.1 | 0 | 0 | 0 | 0 | 113.9 |
Retrieved 236 of 236 residues in 184.3 ms
(Link to these results)