| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.3 | Very low | 38.2 | Very low | 225 Ų | 225 | 142.3 Ų | 142.3 | 100% | 1.108 | 69% | 0.694 | S | S | * | * | 0 | 11.9 | 0 | -115.1 | -174.9 | -164.1 | 0 | 0 | 117.4 | |||||
| 2 | P | 36.5 | Very low | 38.4 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 69% | 0.688 | 68% | 0.677 | S | S | * | * | trans | -95.5 | -14.4 | -178.3 | 36 | -34.8 | 0 | 0 | 0 | 116.1 | ||||
| 3 | Q | 30.7 | Very low | 38.5 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 78% | 0.78 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -80.5 | -26.2 | -170.9 | -128.1 | 159.7 | -11.8 | 0 | 0 | 114.4 | I5 | Q3-I5 PolarHBondContact O-N 3.08Å |
| 4 | K | 37 | Very low | 38.8 | Very low | 191 Ų | 191 | 138 Ų | 138 | 83% | 0.83 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -76.4 | -19.7 | -179.7 | -108.8 | 175.8 | -179.4 | 170.5 | 0 | 114.2 | ||
| 5 | I | 37.9 | Very low | 39 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 57% | 0.574 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -85.8 | -30.4 | -179.9 | -61.8 | 174.1 | 0 | 0 | 0 | 110.9 | Q3 K9 | Q3-I5 PolarHBondContact O-N 3.08Å; I5-K9 PolarHBondContact O-N 3.27Å |
| 6 | K | 37.3 | Very low | 39.6 | Very low | 168 Ų | 168 | 134.4 Ų | 134.4 | 73% | 0.73 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -65.6 | -43.1 | 174.2 | -83.9 | -174.9 | 174.8 | -177.8 | 0 | 112.5 | K8 K9 M10 | K6-K8 PolarHBondContact O-N 3.34Å; K6-K9 PolarHBondContact O-N 3.45Å; K6-M10 WeakPolarHBondContact O-CB 3.39Å; K6-M10 PolarHBondContact O-N 3.47Å |
| 7 | N | 38.3 | Very low | 39.8 | Very low | 99 Ų | 99 | 133.3 Ų | 133.3 | 53% | 0.529 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -65.8 | -35.7 | 179.1 | -89.6 | 1 | 0 | 0 | 0 | 113.5 | M10 T11 | N7-M10 PolarHBondContact O-N 2.88Å; N7-T11 PolarHBondContact O-N 3.34Å; N7-T11 PolarHBondContact O-OG1 3.37Å |
| 8 | K | 41 | Very low | 40.3 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 63% | 0.63 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69.9 | -37.5 | 179.4 | -138.6 | -179.8 | -175.6 | -171.2 | 0 | 112.3 | K6 T12 | K6-K8 PolarHBondContact O-N 3.34Å; K8-T12 PolarHBondContact O-N 3.26Å; K8-T12 PolarHBondContact O-OG1 3.49Å; K8-T12 VanDerWaalsContact O-OG1 3.09Å |
| 9 | K | 39 | Very low | 40.8 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 61% | 0.613 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.4 | -32.4 | 172.7 | -75.9 | -174.2 | 176.2 | -176.7 | 0 | 112.1 | I5 K6 R13 | I5-K9 PolarHBondContact O-N 3.27Å; K6-K9 PolarHBondContact O-N 3.45Å; K9-R13 VanDerWaalsContact O-CB 3.3Å; K9-R13 WeakPolarHBondContact O-CB 3.47Å; K9-R13 VanDerWaalsContact O-CG 3.24Å; K9-R13 WeakPolarHBondContact O-CG 3.37Å; K9-R13 PolarHBondContact O-N 3.46Å |
| 10 | M | 36.5 | Very low | 40.9 | Very low | 124 Ų | 124 | 125.5 Ų | 125.5 | 61% | 0.611 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.8 | -42.3 | 178.9 | -164 | 159.3 | 75.1 | 0 | 0 | 112.5 | K6 N7 R13 L14 | K6-M10 WeakPolarHBondContact O-CB 3.39Å; K6-M10 PolarHBondContact O-N 3.47Å; N7-M10 PolarHBondContact O-N 2.88Å; M10-R13 PolarHBondContact O-N 2.83Å; M10-L14 WeakPolarHBondContact O-CB 3.45Å; M10-L14 PolarHBondContact O-N 2.88Å |
| 11 | T | 42.6 | Very low | 40.9 | Very low | 87 Ų | 87 | 121.9 Ų | 121.9 | 53% | 0.534 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -68.9 | -38 | 177.9 | -34.9 | 0 | 0 | 0 | 0 | 112.4 | N7 L14 C15 | N7-T11 PolarHBondContact O-N 3.34Å; N7-T11 PolarHBondContact O-OG1 3.37Å; T11-L14 PolarHBondContact O-N 2.85Å; T11-C15 PolarHBondContact O-N 3.4Å |
| 12 | T | 40.7 | Very low | 41.2 | Very low | 80 Ų | 80 | 117.9 Ų | 117.9 | 49% | 0.491 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -69.4 | -39.2 | 175.6 | -53.1 | 0 | 0 | 0 | 0 | 111.6 | K8 C15 F16 | K8-T12 PolarHBondContact O-N 3.26Å; K8-T12 PolarHBondContact O-OG1 3.49Å; K8-T12 VanDerWaalsContact O-OG1 3.09Å; T12-C15 PolarHBondContact O-N 3.31Å; T12-F16 HydrophobicContact CG2-CD2 4.03Å; T12-F16 HydrophobicContact CG2-CE2 4.21Å; T12-F16 WeakPolarHBondContact O-CD2 3.4Å; T12-F16 PolarHBondContact O-N 3.3Å |
| 13 | R | 40.2 | Very low | 41.4 | Very low | 183 Ų | 183 | 117.3 Ų | 117.3 | 69% | 0.691 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.2 | -35.7 | 173.1 | -76.5 | 179.9 | 173.5 | -165.2 | -4 | 112.5 | K9 M10 F16 L17 | K9-R13 VanDerWaalsContact O-CB 3.3Å; K9-R13 WeakPolarHBondContact O-CB 3.47Å; K9-R13 VanDerWaalsContact O-CG 3.24Å; K9-R13 WeakPolarHBondContact O-CG 3.37Å; K9-R13 PolarHBondContact O-N 3.46Å; M10-R13 PolarHBondContact O-N 2.83Å; R13-F16 PolarHBondContact O-N 3Å; R13-L17 VanDerWaalsContact O-CB 3.3Å; R13-L17 WeakPolarHBondContact O-CB 3.28Å; R13-L17 WeakPolarHBondContact O-CD1 3.5Å; R13-L17 WeakPolarHBondContact O-CG 3.08Å; R13-L17 PolarHBondContact O-N 2.88Å |
| 14 | L | 41.8 | Very low | 41.7 | Very low | 104 Ų | 104 | 115.9 Ų | 115.9 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.7 | -40.7 | 176.1 | -164.6 | 70 | 0 | 0 | 0 | 111.8 | M10 T11 L17 L18 | M10-L14 WeakPolarHBondContact O-CB 3.45Å; M10-L14 PolarHBondContact O-N 2.88Å; T11-L14 PolarHBondContact O-N 2.85Å; L14-L17 PolarHBondContact O-N 3.04Å; L14-L18 HydrophobicContact CG-CD1 4.25Å; L14-L18 WeakPolarHBondContact O-CB 3.27Å; L14-L18 VanDerWaalsContact O-CG 3.23Å; L14-L18 WeakPolarHBondContact O-CG 3.42Å; L14-L18 PolarHBondContact O-N 3Å |
| 15 | C | 42.3 | Very low | 42 | Very low | 71 Ų | 71 | 112.4 Ų | 112.4 | 48% | 0.48 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.3 | -40.5 | 171.8 | -80.9 | 0 | 0 | 0 | 0 | 112.3 | T11 T12 L18 L19 | T11-C15 PolarHBondContact O-N 3.4Å; T12-C15 PolarHBondContact O-N 3.31Å; C15-L18 PolarHBondContact O-N 2.84Å; C15-L19 WeakPolarHBondContact O-CB 3.39Å; C15-L19 WeakPolarHBondContact O-CD1 3.43Å; C15-L19 PolarHBondContact O-N 3.35Å |
| 16 | F | 49.5 | Very low | 42 | Very low | 147 Ų | 147 | 111.1 Ų | 111.1 | 65% | 0.645 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.3 | -36.5 | 175.1 | -96.4 | -82.9 | 0 | 0 | 0 | 112.5 | T12 R13 A20 | T12-F16 HydrophobicContact CG2-CD2 4.03Å; T12-F16 HydrophobicContact CG2-CE2 4.21Å; T12-F16 WeakPolarHBondContact O-CD2 3.4Å; T12-F16 PolarHBondContact O-N 3.3Å; R13-F16 PolarHBondContact O-N 3Å; F16-A20 WeakPolarHBondContact O-CB 3.31Å; F16-A20 PolarHBondContact O-N 3.41Å |
| 17 | L | 42.7 | Very low | 41.7 | Very low | 116 Ų | 116 | 106.8 Ų | 106.8 | 61% | 0.607 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.5 | -34.6 | 175.1 | -76.5 | 165.2 | 0 | 0 | 0 | 112.1 | R13 L14 A21 | R13-L17 VanDerWaalsContact O-CB 3.3Å; R13-L17 WeakPolarHBondContact O-CB 3.28Å; R13-L17 WeakPolarHBondContact O-CD1 3.5Å; R13-L17 WeakPolarHBondContact O-CG 3.08Å; R13-L17 PolarHBondContact O-N 2.88Å; L14-L17 PolarHBondContact O-N 3.04Å; L17-A21 WeakPolarHBondContact O-CB 3.49Å; L17-A21 PolarHBondContact O-N 3.23Å |
| 18 | L | 47.8 | Very low | 41.3 | Very low | 96 Ų | 96 | 105.9 Ų | 105.9 | 50% | 0.503 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -72.5 | -38.5 | 173.8 | -71.9 | 167.1 | 0 | 0 | 0 | 111.9 | L14 C15 H22 | L14-L18 HydrophobicContact CG-CD1 4.25Å; L14-L18 WeakPolarHBondContact O-CB 3.27Å; L14-L18 VanDerWaalsContact O-CG 3.23Å; L14-L18 WeakPolarHBondContact O-CG 3.42Å; L14-L18 PolarHBondContact O-N 3Å; C15-L18 PolarHBondContact O-N 2.84Å; L18-H22 WeakPolarHBondContact O-CB 3.39Å; L18-H22 PolarHBondContact O-CD2 3.38Å; L18-H22 VanDerWaalsContact O-CD2 3.29Å; L18-H22 PolarHBondContact O-N 2.97Å |
| 19 | L | 50.7 | Low | 41 | Very low | 101 Ų | 101 | 107.6 Ų | 107.6 | 53% | 0.529 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.4 | -44 | 170.5 | -101.6 | 128.1 | 0 | 0 | 0 | 111.4 | C15 H22 V23 | C15-L19 WeakPolarHBondContact O-CB 3.39Å; C15-L19 WeakPolarHBondContact O-CD1 3.43Å; C15-L19 PolarHBondContact O-N 3.35Å; L19-H22 PolarHBondContact O-N 2.81Å; L19-V23 WeakPolarHBondContact O-CB 3.09Å; L19-V23 VanDerWaalsContact O-CG2 3.25Å; L19-V23 WeakPolarHBondContact O-CG2 3.48Å; L19-V23 PolarHBondContact O-N 3.01Å |
| 20 | A | 42.7 | Very low | 40.7 | Very low | 46 Ų | 46 | 106.8 Ų | 106.8 | 38% | 0.38 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.8 | -39.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F16 H22 V23 M24 | F16-A20 WeakPolarHBondContact O-CB 3.31Å; F16-A20 PolarHBondContact O-N 3.41Å; A20-H22 VanDerWaalsContact C-N 3.35Å; A20-H22 PolarHBondContact O-N 3.44Å; A20-V23 PolarHBondContact O-N 2.04Å; A20-M24 VanDerWaalsContact O-CB 3.26Å; A20-M24 WeakPolarHBondContact O-CB 3.41Å; A20-M24 WeakPolarHBondContact O-CG 3.39Å; A20-M24 PolarHBondContact O-N 3.26Å |
| 21 | A | 41.6 | Very low | 40.3 | Very low | 51 Ų | 51 | 109.7 Ų | 109.7 | 42% | 0.421 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.1 | -39 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L17 V25 | L17-A21 WeakPolarHBondContact O-CB 3.49Å; L17-A21 PolarHBondContact O-N 3.23Å; A21-V25 WeakPolarHBondContact O-CB 3.5Å; A21-V25 VanDerWaalsContact O-CG2 3.25Å; A21-V25 WeakPolarHBondContact O-CG2 3.23Å; A21-V25 PolarHBondContact O-N 2.95Å |
| 22 | H | 47.9 | Very low | 39.7 | Very low | 141 Ų | 141 | 110.7 Ų | 110.7 | 65% | 0.653 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.7 | -35.3 | 174.6 | -88.2 | -64.8 | 0 | 0 | 0 | 113.4 | L18 L19 A20 A26 | L18-H22 WeakPolarHBondContact O-CB 3.39Å; L18-H22 PolarHBondContact O-CD2 3.38Å; L18-H22 VanDerWaalsContact O-CD2 3.29Å; L18-H22 PolarHBondContact O-N 2.97Å; L19-H22 PolarHBondContact O-N 2.81Å; A20-H22 VanDerWaalsContact C-N 3.35Å; A20-H22 PolarHBondContact O-N 3.44Å; H22-A26 WeakPolarHBondContact O-CB 3.45Å; H22-A26 PolarHBondContact O-N 2.89Å |
| 23 | V | 41.6 | Very low | 39 | Very low | 93 Ų | 93 | 116.6 Ų | 116.6 | 56% | 0.564 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.7 | -35.2 | 175.5 | 172.3 | 0 | 0 | 0 | 0 | 111.7 | L19 A20 A26 S27 | L19-V23 WeakPolarHBondContact O-CB 3.09Å; L19-V23 VanDerWaalsContact O-CG2 3.25Å; L19-V23 WeakPolarHBondContact O-CG2 3.48Å; L19-V23 PolarHBondContact O-N 3.01Å; A20-V23 PolarHBondContact O-N 2.04Å; V23-A26 PolarHBondContact O-N 3.36Å; V23-S27 PolarHBondContact O-N 3.07Å; V23-S27 VanDerWaalsContact O-N 3.13Å; V23-S27 PolarHBondContact O-OG 3.37Å |
| 24 | M | 37.1 | Very low | 38.3 | Very low | 138 Ų | 138 | 115 Ų | 115 | 68% | 0.68 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71.1 | -36 | 176.8 | -70 | -77.5 | -93.3 | 0 | 0 | 112.1 | A20 A26 S27 A28 | A20-M24 VanDerWaalsContact O-CB 3.26Å; A20-M24 WeakPolarHBondContact O-CB 3.41Å; A20-M24 WeakPolarHBondContact O-CG 3.39Å; A20-M24 PolarHBondContact O-N 3.26Å; M24-A26 VanDerWaalsContact C-N 3.28Å; M24-A26 PolarHBondContact O-N 3.04Å; M24-S27 WeakPolarHBondContact CA-OG 3.28Å; M24-S27 PolarHBondContact O-N 3.45Å; M24-S27 PolarHBondContact O-OG 3.18Å; M24-A28 PolarHBondContact O-N 3.02Å |
| 25 | V | 42.6 | Very low | 37.6 | Very low | 118 Ų | 118 | 118.9 Ų | 118.9 | 72% | 0.715 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67.8 | -30.3 | 171.5 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | A21 | A21-V25 WeakPolarHBondContact O-CB 3.5Å; A21-V25 VanDerWaalsContact O-CG2 3.25Å; A21-V25 WeakPolarHBondContact O-CG2 3.23Å; A21-V25 PolarHBondContact O-N 2.95Å |
| 26 | A | 38 | Very low | 36.8 | Very low | 85 Ų | 85 | 123.3 Ų | 123.3 | 70% | 0.702 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -79.6 | -13.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | H22 V23 M24 | H22-A26 WeakPolarHBondContact O-CB 3.45Å; H22-A26 PolarHBondContact O-N 2.89Å; V23-A26 PolarHBondContact O-N 3.36Å; M24-A26 VanDerWaalsContact C-N 3.28Å; M24-A26 PolarHBondContact O-N 3.04Å |
| 27 | S | 32 | Very low | 35.6 | Very low | 76 Ų | 76 | 122 Ų | 122 | 53% | 0.531 | 69% | 0.685 | S | S | . | * | S | Bend | trans | -105.8 | 1.7 | -179.5 | 37.2 | 0 | 0 | 0 | 0 | 114.1 | V23 M24 Q29 | V23-S27 PolarHBondContact O-N 3.07Å; V23-S27 VanDerWaalsContact O-N 3.13Å; V23-S27 PolarHBondContact O-OG 3.37Å; M24-S27 WeakPolarHBondContact CA-OG 3.28Å; M24-S27 PolarHBondContact O-N 3.45Å; M24-S27 PolarHBondContact O-OG 3.18Å; S27-Q29 PolarHBondContact O-N 3.14Å |
| 28 | A | 29.7 | Very low | 34.8 | Very low | 80 Ų | 80 | 126.1 Ų | 126.1 | 66% | 0.661 | 70% | 0.701 | S | S | * | * | trans | -79 | 82.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | M24 | M24-A28 PolarHBondContact O-N 3.02Š| ||
| 29 | Q | 34.2 | Very low | 33.8 | Very low | 182 Ų | 182 | 126 Ų | 126 | 85% | 0.85 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 138.6 | 157.6 | -77.6 | -154.9 | -53 | 0 | 0 | 109.3 | S27 E31 | S27-Q29 PolarHBondContact O-N 3.14Å; Q29-E31 PolarHBondContact O-N 3.26Å |
| 30 | P | 31.8 | Very low | 32.5 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 81% | 0.805 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 124.8 | 164.2 | 8.2 | 5.9 | 0 | 0 | 0 | 109.1 | ||
| 31 | E | 28.8 | Very low | 31.5 | Very low | 184 Ų | 184 | 132.7 Ų | 132.7 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 138.4 | 167.7 | -73.9 | 175.2 | 140.7 | 0 | 0 | 111.5 | Q29 K33 | Q29-E31 PolarHBondContact O-N 3.26Å; E31-K33 PolarHBondContact O-N 2.73Å |
| 32 | S | 29.5 | Very low | 30.6 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 118.7 | 166.8 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | ||
| 33 | K | 27.1 | Very low | 29.4 | Very low | 205 Ų | 205 | 134.4 Ų | 134.4 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | trans | -99.9 | 113.8 | 164.6 | -84 | -173.3 | 177.4 | -180 | 0 | 109.9 | E31 | E31-K33 PolarHBondContact O-N 2.73Š| ||
| 34 | N | 25.8 | Very low | 28.7 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -52.5 | 149.7 | 172.7 | -81.6 | -25.2 | 0 | 0 | 0 | 113.8 | ||||
| 35 | Q | 27.4 | Very low | 28 | Very low | 187 Ų | 187 | 138 Ų | 138 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -49.6 | 135.3 | 170.7 | -72.4 | 160.2 | -44.3 | 0 | 0 | 114.1 | ||||
| 36 | I | 24.5 | Very low | 27.2 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -142.3 | 130.8 | 142.3 | -57.6 | -177.4 | 0 | 0 | 0 | 107.4 | ||||
| 37 | P | 24.6 | Very low | 26.5 | Very low | 120 Ų | 120 | 147.4 Ų | 147.4 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | -86.4 | 138.1 | -172.9 | 33.3 | -32.1 | 0 | 0 | 0 | 111.9 | ||||
| 38 | Q | 26 | Very low | 26.1 | Very low | 202 Ų | 202 | 147.3 Ų | 147.3 | 94% | 0.944 | 82% | 0.816 | S | S | * | * | trans | -115 | 129.6 | 164.3 | -96.6 | -174.4 | -34.7 | 0 | 0 | 111.3 | ||||
| 39 | A | 25.4 | Very low | 25.9 | Very low | 93 Ų | 93 | 151.9 Ų | 151.9 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | trans | -72.9 | 156.5 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 40 | S | 23.3 | Very low | 25.4 | Very low | 110 Ų | 110 | 149.2 Ų | 149.2 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | trans | -47 | 132.3 | 160.6 | 50.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 41 | L | 23.1 | Very low | 25.2 | Very low | 178 Ų | 178 | 152.5 Ų | 152.5 | 93% | 0.932 | 83% | 0.829 | S | S | * | * | trans | -135.5 | 110.8 | 154.5 | -132.6 | 92.3 | 0 | 0 | 0 | 109.6 | ||||
| 42 | S | 22.6 | Very low | 25 | Very low | 102 Ų | 102 | 154.8 Ų | 154.8 | 71% | 0.713 | 83% | 0.83 | S | S | * | * | trans | -97 | 164.2 | 166.3 | 51.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 43 | V | 23.1 | Very low | 24.7 | Very low | 127 Ų | 127 | 158 Ų | 158 | 77% | 0.77 | 83% | 0.83 | S | S | * | * | trans | 89.3 | 112.4 | 165.6 | -168.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 44 | T | 25.3 | Very low | 24.6 | Very low | 124 Ų | 124 | 153 Ų | 153 | 76% | 0.761 | 83% | 0.827 | S | S | * | * | -161.5 | 124.8 | 110.4 | -59.9 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 45 | Q | 24.3 | Very low | 24.6 | Very low | 183 Ų | 183 | 153.3 Ų | 153.3 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | trans | -84.5 | 134.5 | 173.3 | -178.1 | 174.3 | -8.2 | 0 | 0 | 109.5 | ||||
| 46 | R | 24.9 | Very low | 24.5 | Very low | 228 Ų | 228 | 151.6 Ų | 151.6 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -155.7 | 118.2 | 157.5 | -126.6 | -175.2 | -84.6 | -132.9 | 2.9 | 113.9 | ||||
| 47 | L | 23.7 | Very low | 24.8 | Very low | 171 Ų | 171 | 149.5 Ų | 149.5 | 90% | 0.895 | 82% | 0.818 | S | S | * | * | trans | 30 | 133.4 | 151 | -97.4 | 68.7 | 0 | 0 | 0 | 122.5 | ||||
| 48 | G | 23.3 | Very low | 25.1 | Very low | 74 Ų | 74 | 148.7 Ų | 148.7 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | trans | -72.3 | 159.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 49 | L | 24.8 | Very low | 25.2 | Very low | 176 Ų | 176 | 149.9 Ų | 149.9 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -134.5 | 123.8 | 145.6 | -99.6 | 167.4 | 0 | 0 | 0 | 108.1 | ||||
| 50 | V | 24.8 | Very low | 25.6 | Very low | 127 Ų | 127 | 150.8 Ų | 150.8 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | -74.4 | 127.7 | 178.2 | 168.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 51 | Q | 27.2 | Very low | 26 | Very low | 192 Ų | 192 | 152.8 Ų | 152.8 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -135.4 | 123 | 160.1 | -151.7 | 125.9 | -22.1 | 0 | 0 | 110.6 | ||||
| 52 | R | 24.6 | Very low | 26.6 | Very low | 232 Ų | 232 | 151.3 Ų | 151.3 | 88% | 0.875 | 81% | 0.808 | S | S | * | * | trans | -72.1 | 136.5 | -173.3 | -85.2 | 174.9 | 171.3 | 174.9 | -2.8 | 112.9 | ||||
| 53 | K | 22.3 | Very low | 27.3 | Very low | 175 Ų | 175 | 152.2 Ų | 152.2 | 76% | 0.761 | 81% | 0.81 | S | S | * | * | trans | 45.4 | 111.2 | 130.6 | -121.4 | -179.9 | -175.1 | -171.1 | 0 | 118.8 | Q55 | K53-Q55 VanDerWaalsContact CE-OE1 3.23Š| ||
| 54 | A | 25.8 | Very low | 27.9 | Very low | 100 Ų | 100 | 153.9 Ų | 153.9 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | -129.5 | 128.3 | 138.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 55 | Q | 25.3 | Very low | 28.5 | Very low | 155 Ų | 155 | 153.9 Ų | 153.9 | 72% | 0.724 | 81% | 0.813 | S | S | * | * | trans | -112 | 103.6 | -169.4 | -175.3 | 155.7 | -11.9 | 0 | 0 | 107.7 | K53 | K53-Q55 VanDerWaalsContact CE-OE1 3.23Š| ||
| 56 | D | 26.7 | Very low | 29.4 | Very low | 152 Ų | 152 | 156.6 Ų | 156.6 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | -96.8 | 143.2 | 172.2 | -82.7 | -35 | 0 | 0 | 0 | 110.7 | ||||
| 57 | P | 30.7 | Very low | 30.7 | Very low | 119 Ų | 119 | 155.1 Ų | 155.1 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -71.8 | 144.7 | -167.9 | 28.2 | -34.8 | 0 | 0 | 0 | 113.3 | R59 | P57-R59 PolarHBondContact O-N 3.35Š| ||
| 58 | A | 30.3 | Very low | 32.3 | Very low | 102 Ų | 102 | 158.7 Ų | 158.7 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | trans | -52.4 | 115.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 59 | R | 28.4 | Very low | 34.4 | Very low | 228 Ų | 228 | 163.7 Ų | 163.7 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -76.2 | 134.7 | 156 | -87.1 | -176.3 | -178 | -171.2 | 1.3 | 108.7 | P57 N61 | P57-R59 PolarHBondContact O-N 3.35Å; R59-N61 PolarHBondContact O-N 3.23Å | ||
| 60 | P | 33.1 | Very low | 36.9 | Very low | 111 Ų | 111 | 158.3 Ų | 158.3 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | trans | -63 | 122.7 | 174.9 | 25.1 | -30.6 | 0 | 0 | 0 | 109.2 | I62 | P60-I62 VanDerWaalsContact C-N 3.26Å; P60-I62 PolarHBondContact O-N 3.44Å | ||
| 61 | N | 31.6 | Very low | 39.7 | Very low | 152 Ų | 152 | 155.3 Ų | 155.3 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -62.7 | 88.8 | 168.7 | -87.8 | -19 | 0 | 0 | 0 | 108.7 | R59 T63 | R59-N61 PolarHBondContact O-N 3.23Å; N61-T63 PolarHBondContact O-N 3.02Å; N61-T63 PolarHBondContact O-OG1 2.65Å | ||
| 62 | I | 36.8 | Very low | 42.3 | Very low | 148 Ų | 148 | 152 Ų | 152 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | -68.5 | 86.4 | 159.7 | -58.3 | 175.8 | 0 | 0 | 0 | 105.5 | P60 M64 | P60-I62 VanDerWaalsContact C-N 3.26Å; P60-I62 PolarHBondContact O-N 3.44Å; I62-M64 VanDerWaalsContact C-N 3.33Å; I62-M64 PolarHBondContact O-N 3.15Å | ||
| 63 | T | 37.3 | Very low | 45.3 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | trans | -66.1 | 99.1 | 169.7 | -40.3 | 0 | 0 | 0 | 0 | 105.5 | N61 | N61-T63 PolarHBondContact O-N 3.02Å; N61-T63 PolarHBondContact O-OG1 2.65Å | ||
| 64 | M | 34.1 | Very low | 48.1 | Very low | 161 Ų | 161 | 138.9 Ų | 138.9 | 79% | 0.793 | 72% | 0.721 | S | S | * | * | trans | -52.3 | 139 | 171.1 | -74.4 | -161.9 | -165.1 | 0 | 0 | 108.3 | I62 R66 | I62-M64 VanDerWaalsContact C-N 3.33Å; I62-M64 PolarHBondContact O-N 3.15Å; M64-R66 PolarHBondContact O-N 3.16Å | ||
| 65 | P | 37.8 | Very low | 50.8 | Low | 124 Ų | 124 | 135.7 Ų | 135.7 | 81% | 0.805 | 70% | 0.698 | S | S | * | * | trans | -58.3 | 112.6 | 177.3 | 22.3 | -30.1 | 0 | 0 | 0 | 108.4 | R67 | P65-R67 PolarHBondContact O-N 3.44Š| ||
| 66 | R | 43.7 | Very low | 53.4 | Low | 241 Ų | 241 | 131.7 Ų | 131.7 | 91% | 0.909 | 69% | 0.685 | S | S | * | * | trans | -60.6 | 101.8 | 174.7 | -160.7 | 175.9 | -177.7 | 173.6 | 0 | 106.1 | M64 R68 | M64-R66 PolarHBondContact O-N 3.16Å; R66-R68 PolarHBondContact O-N 3.47Å | ||
| 67 | R | 52.3 | Low | 56.1 | Low | 196 Ų | 196 | 126.8 Ų | 126.8 | 74% | 0.74 | 66% | 0.661 | S | S | * | * | trans | -50.1 | 116.2 | 174.6 | -105.7 | -178.4 | 177 | -167.3 | -2.9 | 107.3 | P65 Q69 | P65-R67 PolarHBondContact O-N 3.44Å; R67-Q69 PolarHBondContact O-N 3.17Å | ||
| 68 | R | 57.3 | Low | 58.7 | Low | 247 Ų | 247 | 127.7 Ų | 127.7 | 93% | 0.932 | 66% | 0.655 | S | S | * | * | trans | -58.3 | 115.6 | 172.6 | -74.9 | -177 | 176.5 | 178 | -1.1 | 106.7 | R66 | R66-R68 PolarHBondContact O-N 3.47Š| ||
| 69 | Q | 67 | Low | 61.5 | Low | 179 Ų | 179 | 123.8 Ų | 123.8 | 84% | 0.836 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 141.6 | 174.7 | -72.7 | 177.7 | -16.3 | 0 | 0 | 108.3 | R67 | R67-Q69 PolarHBondContact O-N 3.17Š|
| 70 | P | 78.1 | Confident | 64.5 | Low | 63 Ų | 63 | 122 Ų | 122 | 41% | 0.409 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 150.6 | 174.9 | -23.1 | 33 | 0 | 0 | 0 | 111.3 | ||
| 71 | P | 83.2 | Confident | 67.2 | Low | 63 Ų | 63 | 122.5 Ų | 122.5 | 41% | 0.409 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 148.7 | 175.9 | 26.1 | -33.6 | 0 | 0 | 0 | 110.4 | R340 | P71-R340 VanDerWaalsContact O-CZ 3.22Å; P71-R340 PolarHBondContact O-NH1 3.46Å; P71-R340 PolarHBondContact O-NH2 2.97Å |
| 72 | M | 82.8 | Confident | 70.2 | Confident | 122 Ų | 122 | 119.3 Ų | 119.3 | 60% | 0.601 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 143.1 | 171 | -71 | -67.2 | -76.9 | 0 | 0 | 109.8 | Y230 K231 | M72-Y230 HydrophobicContact CE-CE2 4.15Å; M72-K231 HydrophobicContact CE-CG 4.33Å |
| 73 | C | 86.4 | Confident | 72.9 | Confident | 27 Ų | 27 | 113.9 Ų | 113.9 | 18% | 0.182 | 57% | 0.567 | C | S | . | * | P | Polyproline II helix | trans | -67.1 | 151 | 177 | -69.7 | 0 | 0 | 0 | 0 | 111.8 | G75 P338 C341 | C73-G75 WeakPolarHBondContact CB-O 3.45Å; C73-P338 VanDerWaalsContact CA-O 3.32Å; C73-P338 WeakPolarHBondContact CA-O 3.06Å; C73-C341 HydrophobicContact CB-CB 3.58Å; C73-C341 WeakPolarHBondContact CB-SG 3.47Å; C73-C341 WeakPolarHBondContact SG-CB 3.37Å; C73-C341 CovalentContact SG-SG 2.03Å; C73-C341 PolarHBondContact SG-SG 2.93Å |
| 74 | T | 82.3 | Confident | 75.6 | Confident | 106 Ų | 106 | 109.5 Ų | 109.5 | 65% | 0.65 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -74.7 | -37.3 | 174.1 | 50.2 | 0 | 0 | 0 | 0 | 112.5 | P338 N339 | T74-P338 HydrophobicContact CG2-CB 4.06Å; T74-P338 PolarHBondContact N-O 3.48Å; T74-P338 VanDerWaalsContact N-O 3.14Å; T74-P338 PolarHBondContact OG1-O 3.11Å; T74-N339 PolarHBondContact OG1-OD1 3.23Å |
| 75 | G | 80.9 | Confident | 78.4 | Confident | 33 Ų | 33 | 108.2 Ų | 108.2 | 34% | 0.34 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -106.7 | 162.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | C73 | C73-G75 WeakPolarHBondContact CB-O 3.45Š|
| 76 | P | 81.4 | Confident | 81.2 | Confident | 70 Ų | 70 | 107 Ų | 107 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | trans | -73 | 156.2 | 174.8 | 33.4 | -35.4 | 0 | 0 | 0 | 111.6 | E78 | P76-E78 HydrophobicContact CB-CG 4.02Å; P76-E78 VanDerWaalsContact CB-OE1 3.32Å; P76-E78 WeakPolarHBondContact CB-OE1 3.3Å; P76-E78 HydrophobicContact CG-CG 4.43Å | ||
| 77 | T | 82.6 | Confident | 83.6 | Confident | 50 Ų | 50 | 96 Ų | 96 | 31% | 0.307 | 47% | 0.474 | S | S | . | . | trans | -98.3 | 107.6 | 166.1 | -55.1 | 0 | 0 | 0 | 0 | 107.2 | C341 L344 S345 L348 | T77-C341 WeakPolarHBondContact OG1-CB 3.24Å; T77-C341 PolarHBondContact OG1-SG 3.44Å; T77-L344 HydrophobicContact CG2-CD2 4.02Å; T77-L344 HydrophobicContact CG2-CG 4.17Å; T77-S345 WeakPolarHBondContact CA-OG 3.36Å; T77-L348 HydrophobicContact CG2-CD1 3.61Å | ||
| 78 | E | 85.5 | Confident | 85.6 | Confident | 138 Ų | 138 | 87.9 Ų | 87.9 | 65% | 0.645 | 45% | 0.446 | S | S | * | . | trans | -136.8 | 144.2 | -173.4 | -77.1 | 174.8 | -159.7 | 0 | 0 | 111.9 | P76 S345 | P76-E78 HydrophobicContact CB-CG 4.02Å; P76-E78 VanDerWaalsContact CB-OE1 3.32Å; P76-E78 WeakPolarHBondContact CB-OE1 3.3Å; P76-E78 HydrophobicContact CG-CG 4.43Å; E78-S345 PolarHBondContact N-OG 3.19Å | ||
| 79 | I | 89.1 | Confident | 87.5 | Confident | 19 Ų | 19 | 79.4 Ų | 79.4 | 10% | 0.097 | 42% | 0.421 | C | S | . | . | trans | -108.1 | 118.2 | 170.6 | -58.1 | 176.5 | 0 | 0 | 0 | 107.2 | D81 F83 K84 L145 L348 Y352 | I79-D81 PolarHBondContact O-N 2.84Å; I79-F83 HydrophobicContact CG2-CB 4.41Å; I79-F83 HydrophobicContact CG2-CD1 3.39Å; I79-F83 HydrophobicContact CG2-CE1 4.07Å; I79-F83 HydrophobicContact CG2-CG 4.28Å; I79-K84 HydrophobicContact CB-CG 4.49Å; I79-K84 HydrophobicContact CG2-CG 3.91Å; I79-K84 WeakPolarHBondContact O-CE 3.45Å; I79-L145 HydrophobicContact CD1-CD1 3.94Å; I79-L145 HydrophobicContact CG2-CD1 4.18Å; I79-L348 HydrophobicContact CD1-CB 4.08Å; I79-L348 HydrophobicContact CD1-CD1 4.38Å; I79-L348 HydrophobicContact CG1-CB 4.25Å; I79-L348 HydrophobicContact CG1-CD1 4.35Å; I79-Y352 HydrophobicContact CD1-CD2 3.97Å; I79-Y352 HydrophobicContact CD1-CE2 3.61Å | ||
| 80 | R | 91.3 | Very high | 88.8 | Confident | 191 Ų | 191 | 73.6 Ų | 73.6 | 72% | 0.721 | 40% | 0.398 | S | S | * | . | trans | -55.5 | 136.6 | -179.4 | -66.7 | 176.4 | 65.4 | -176.1 | 1 | 111.5 | T82 F83 K84 | R80-T82 PolarHBondContact O-N 3.42Å; R80-F83 WeakPolarHBondContact O-CA 3.41Å; R80-F83 WeakPolarHBondContact O-CB 3.32Å; R80-F83 PolarHBondContact O-N 2.94Å; R80-K84 PolarHBondContact O-N 3.43Å | ||
| 81 | D | 90.8 | Very high | 89.6 | Confident | 121 Ų | 121 | 70.8 Ų | 70.8 | 65% | 0.647 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -59.9 | -34.4 | -179.7 | -66 | -34.2 | 0 | 0 | 0 | 113.2 | I79 F83 K84 H85 | I79-D81 PolarHBondContact O-N 2.84Å; D81-F83 VanDerWaalsContact C-N 3.25Å; D81-F83 PolarHBondContact O-N 3.35Å; D81-K84 WeakPolarHBondContact O-CB 3.34Å; D81-K84 PolarHBondContact O-N 2.85Å; D81-K84 VanDerWaalsContact O-N 3.15Å; D81-K84 IonicContact OD1-NZ 3.08Å; D81-H85 PolarHBondContact O-N 2.95Å |
| 82 | T | 92.8 | Very high | 90.2 | Very high | 85 Ų | 85 | 71.1 Ų | 71.1 | 52% | 0.521 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -56.3 | -42.4 | 172.7 | -45.3 | 0 | 0 | 0 | 0 | 111.4 | R80 I86 | R80-T82 PolarHBondContact O-N 3.42Å; T82-I86 HydrophobicContact CG2-CD1 4.05Å; T82-I86 WeakPolarHBondContact O-CD1 3.28Å; T82-I86 VanDerWaalsContact O-CG1 3.26Å; T82-I86 WeakPolarHBondContact O-CG1 3.48Å; T82-I86 PolarHBondContact O-N 3.17Å; T82-I86 VanDerWaalsContact O-N 3.08Å |
| 83 | F | 94.5 | Very high | 90.8 | Very high | 35 Ų | 35 | 70.6 Ų | 70.6 | 15% | 0.154 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.8 | -44.2 | 176.1 | 175.6 | -92.6 | 0 | 0 | 0 | 111.2 | I79 R80 D81 H85 I86 N87 V349 Y352 I353 | I79-F83 HydrophobicContact CG2-CB 4.41Å; I79-F83 HydrophobicContact CG2-CD1 3.39Å; I79-F83 HydrophobicContact CG2-CE1 4.07Å; I79-F83 HydrophobicContact CG2-CG 4.28Å; R80-F83 WeakPolarHBondContact O-CA 3.41Å; R80-F83 WeakPolarHBondContact O-CB 3.32Å; R80-F83 PolarHBondContact O-N 2.94Å; D81-F83 VanDerWaalsContact C-N 3.25Å; D81-F83 PolarHBondContact O-N 3.35Å; F83-H85 PolarHBondContact O-N 3.39Å; F83-I86 PolarHBondContact O-N 3.17Å; F83-N87 HydrophobicContact CD1-CB 4.4Å; F83-N87 HydrophobicContact CE1-CB 4.04Å; F83-N87 HydrophobicContact CE2-CB 4.49Å; F83-N87 HydrophobicContact CZ-CB 4.09Å; F83-N87 WeakPolarHBondContact O-CB 3.37Å; F83-N87 PolarHBondContact O-N 3.03Å; F83-V349 HydrophobicContact CD1-CG2 4.43Å; F83-V349 HydrophobicContact CD2-CG1 4.01Å; F83-V349 HydrophobicContact CE1-CG2 4.47Å; F83-V349 HydrophobicContact CE2-CG1 3.66Å; F83-V349 HydrophobicContact CG-CG2 4.49Å; F83-V349 HydrophobicContact CZ-CB 4.41Å; F83-V349 HydrophobicContact CZ-CG1 3.99Å; F83-Y352 HydrophobicContact CE1-CD2 4.46Å; F83-Y352 HydrophobicContact CE1-CG 4.37Å; F83-I353 HydrophobicContact CE2-CD1 4.01Å; F83-I353 HydrophobicContact CE2-CG1 3.73Å; F83-I353 HydrophobicContact CZ-CG1 3.99Å |
| 84 | K | 93.8 | Very high | 91.3 | Very high | 28 Ų | 28 | 69.9 Ų | 69.9 | 12% | 0.122 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -54.3 | -43.8 | 176.4 | -65.9 | -177.9 | 175.3 | 173.8 | 0 | 111.3 | I79 R80 D81 T88 L145 L146 E148 | I79-K84 HydrophobicContact CB-CG 4.49Å; I79-K84 HydrophobicContact CG2-CG 3.91Å; I79-K84 WeakPolarHBondContact O-CE 3.45Å; R80-K84 PolarHBondContact O-N 3.43Å; D81-K84 WeakPolarHBondContact O-CB 3.34Å; D81-K84 PolarHBondContact O-N 2.85Å; D81-K84 VanDerWaalsContact O-N 3.15Å; D81-K84 IonicContact OD1-NZ 3.08Å; K84-T88 VanDerWaalsContact O-CB 3.24Å; K84-T88 WeakPolarHBondContact O-CB 3.38Å; K84-T88 PolarHBondContact O-N 2.9Å; K84-T88 PolarHBondContact O-OG1 3.36Å; K84-L145 HydrophobicContact CB-CG 4.39Å; K84-L145 HydrophobicContact CG-CD1 3.96Å; K84-L145 HydrophobicContact CG-CG 4.13Å; K84-L146 HydrophobicContact CB-CD2 4.35Å; K84-E148 WeakPolarHBondContact CE-OE1 3.45Å; K84-E148 IonicContact NZ-OE1 3.77Å; K84-E148 PolarHBondContact NZ-OE1 3.41Å |
| 85 | H | 93.9 | Very high | 91.9 | Very high | 134 Ų | 134 | 67 Ų | 67 | 62% | 0.62 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.9 | -52 | 178.5 | -165.5 | 77 | 0 | 0 | 0 | 112.1 | D81 F83 N87 T88 V89 | D81-H85 PolarHBondContact O-N 2.95Å; F83-H85 PolarHBondContact O-N 3.39Å; H85-N87 PolarHBondContact O-N 2.82Å; H85-T88 PolarHBondContact O-N 3.12Å; H85-V89 WeakPolarHBondContact O-CG2 3.42Å; H85-V89 PolarHBondContact O-N 2.88Å |
| 86 | I | 95.2 | Very high | 92.6 | Very high | 100 Ų | 100 | 69.3 Ų | 69.3 | 51% | 0.513 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.8 | -48.6 | 179.2 | -67.2 | 166.2 | 0 | 0 | 0 | 110.8 | T82 F83 T88 V89 V90 | T82-I86 HydrophobicContact CG2-CD1 4.05Å; T82-I86 WeakPolarHBondContact O-CD1 3.28Å; T82-I86 VanDerWaalsContact O-CG1 3.26Å; T82-I86 WeakPolarHBondContact O-CG1 3.48Å; T82-I86 PolarHBondContact O-N 3.17Å; T82-I86 VanDerWaalsContact O-N 3.08Å; F83-I86 PolarHBondContact O-N 3.17Å; I86-T88 VanDerWaalsContact C-N 3.32Å; I86-T88 PolarHBondContact O-N 3.34Å; I86-V89 PolarHBondContact O-N 3.41Å; I86-V90 WeakPolarHBondContact O-CG2 3.41Å; I86-V90 PolarHBondContact O-N 3.02Å |
| 87 | N | 94.6 | Very high | 93.3 | Very high | 9 Ų | 9 | 69.2 Ų | 69.2 | 5% | 0.048 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.8 | -42.1 | -178.7 | -171 | 87.3 | 0 | 0 | 0 | 111.4 | F83 H85 V90 S91 L145 Y352 N356 | F83-N87 HydrophobicContact CD1-CB 4.4Å; F83-N87 HydrophobicContact CE1-CB 4.04Å; F83-N87 HydrophobicContact CE2-CB 4.49Å; F83-N87 HydrophobicContact CZ-CB 4.09Å; F83-N87 WeakPolarHBondContact O-CB 3.37Å; F83-N87 PolarHBondContact O-N 3.03Å; H85-N87 PolarHBondContact O-N 2.82Å; N87-V90 PolarHBondContact O-N 3.43Å; N87-S91 WeakPolarHBondContact O-CB 3.49Å; N87-S91 PolarHBondContact O-N 3.38Å; N87-S91 PolarHBondContact O-OG 3.32Å; N87-L145 HydrophobicContact CB-CD2 3.87Å; N87-L145 WeakPolarHBondContact ND2-CD2 3.37Å; N87-Y352 PolarHBondContact OD1-O 3.32Å; N87-N356 PolarHBondContact ND2-ND2 2.85Å; N87-N356 VanDerWaalsContact ND2-ND2 3.11Å; N87-N356 PolarHBondContact O-ND2 3.46Å; N87-N356 PolarHBondContact OD1-ND2 3.29Å |
| 88 | T | 95.1 | Very high | 93.9 | Very high | 26 Ų | 26 | 66.8 Ų | 66.8 | 16% | 0.16 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 175.9 | -61.7 | 0 | 0 | 0 | 0 | 112 | K84 H85 I86 V90 S91 C92 V142 L146 | K84-T88 VanDerWaalsContact O-CB 3.24Å; K84-T88 WeakPolarHBondContact O-CB 3.38Å; K84-T88 PolarHBondContact O-N 2.9Å; K84-T88 PolarHBondContact O-OG1 3.36Å; H85-T88 PolarHBondContact O-N 3.12Å; I86-T88 VanDerWaalsContact C-N 3.32Å; I86-T88 PolarHBondContact O-N 3.34Å; T88-V90 VanDerWaalsContact C-N 3.35Å; T88-V90 PolarHBondContact O-N 3.09Å; T88-S91 PolarHBondContact O-N 3.49Å; T88-C92 WeakPolarHBondContact O-CB 3.49Å; T88-C92 PolarHBondContact O-N 3.34Å; T88-C92 PolarHBondContact O-SG 2.99Å; T88-V142 HydrophobicContact CG2-CG1 3.99Å; T88-L146 HydrophobicContact CG2-CD1 4.39Å |
| 89 | V | 95.8 | Very high | 94.4 | Very high | 68 Ų | 68 | 62.6 Ų | 62.6 | 41% | 0.412 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 177.1 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | H85 I86 C92 L93 | H85-V89 WeakPolarHBondContact O-CG2 3.42Å; H85-V89 PolarHBondContact O-N 2.88Å; I86-V89 PolarHBondContact O-N 3.41Å; V89-C92 PolarHBondContact O-N 3.22Å; V89-L93 HydrophobicContact CG1-CD1 4.33Å; V89-L93 WeakPolarHBondContact O-CG 3.33Å; V89-L93 PolarHBondContact O-N 3.46Å |
| 90 | V | 95.4 | Very high | 94.7 | Very high | 58 Ų | 58 | 65.8 Ų | 65.8 | 35% | 0.352 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61 | -47.5 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | I86 N87 T88 C92 L93 V94 N356 | I86-V90 WeakPolarHBondContact O-CG2 3.41Å; I86-V90 PolarHBondContact O-N 3.02Å; N87-V90 PolarHBondContact O-N 3.43Å; T88-V90 VanDerWaalsContact C-N 3.35Å; T88-V90 PolarHBondContact O-N 3.09Å; V90-C92 VanDerWaalsContact C-N 3.31Å; V90-C92 PolarHBondContact O-N 2.83Å; V90-L93 PolarHBondContact O-N 3.21Å; V90-V94 HydrophobicContact CG1-CG2 4.29Å; V90-V94 VanDerWaalsContact O-CG2 3.29Å; V90-V94 WeakPolarHBondContact O-CG2 3.18Å; V90-V94 PolarHBondContact O-N 3.13Å; V90-N356 HydrophobicContact CG1-CB 4.43Å |
| 91 | S | 95.5 | Very high | 94.8 | Very high | 4 Ų | 4 | 57.4 Ų | 57.4 | 3% | 0.028 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.3 | -42.1 | 177.2 | -66 | 0 | 0 | 0 | 0 | 112.5 | N87 T88 V94 F95 V142 N356 | N87-S91 WeakPolarHBondContact O-CB 3.49Å; N87-S91 PolarHBondContact O-N 3.38Å; N87-S91 PolarHBondContact O-OG 3.32Å; T88-S91 PolarHBondContact O-N 3.49Å; S91-V94 PolarHBondContact O-N 2.63Å; S91-F95 VanDerWaalsContact O-CB 3.31Å; S91-F95 WeakPolarHBondContact O-CB 3.37Å; S91-F95 PolarHBondContact O-N 3.27Å; S91-V142 VanDerWaalsContact CB-CG2 3.46Å; S91-N356 WeakPolarHBondContact CA-OD1 3.16Å; S91-N356 VanDerWaalsContact OG-CG 3.27Å; S91-N356 PolarHBondContact OG-ND2 3Å; S91-N356 PolarHBondContact OG-OD1 3.46Å |
| 92 | C | 95.5 | Very high | 95 | Very high | 69 Ų | 69 | 51.6 Ų | 51.6 | 47% | 0.466 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 176.4 | -73.3 | 0 | 0 | 0 | 0 | 112.4 | T88 V89 V90 F95 V96 | T88-C92 WeakPolarHBondContact O-CB 3.49Å; T88-C92 PolarHBondContact O-N 3.34Å; T88-C92 PolarHBondContact O-SG 2.99Å; V89-C92 PolarHBondContact O-N 3.22Å; V90-C92 VanDerWaalsContact C-N 3.31Å; V90-C92 PolarHBondContact O-N 2.83Å; C92-F95 PolarHBondContact O-N 3.38Å; C92-V96 WeakPolarHBondContact O-CG2 3.3Å; C92-V96 PolarHBondContact O-N 3.45Å |
| 93 | L | 95.6 | Very high | 95.1 | Very high | 112 Ų | 112 | 50.1 Ų | 50.1 | 59% | 0.586 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62.1 | -47.2 | 176.2 | -70.4 | 171.9 | 0 | 0 | 0 | 111.4 | V89 V90 F95 V96 V97 | V89-L93 HydrophobicContact CG1-CD1 4.33Å; V89-L93 WeakPolarHBondContact O-CG 3.33Å; V89-L93 PolarHBondContact O-N 3.46Å; V90-L93 PolarHBondContact O-N 3.21Å; L93-F95 VanDerWaalsContact C-N 3.32Å; L93-F95 PolarHBondContact O-N 3.47Å; L93-V96 PolarHBondContact O-N 3.07Å; L93-V97 WeakPolarHBondContact O-CB 3.38Å; L93-V97 VanDerWaalsContact O-CG2 3.29Å; L93-V97 WeakPolarHBondContact O-CG2 3.23Å; L93-V97 PolarHBondContact O-N 3.18Å |
| 94 | V | 95.4 | Very high | 95 | Very high | 12 Ų | 12 | 49.2 Ų | 49.2 | 7% | 0.073 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.5 | -44.3 | 176.6 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | V90 S91 G98 I138 V360 C363 | V90-V94 HydrophobicContact CG1-CG2 4.29Å; V90-V94 VanDerWaalsContact O-CG2 3.29Å; V90-V94 WeakPolarHBondContact O-CG2 3.18Å; V90-V94 PolarHBondContact O-N 3.13Å; S91-V94 PolarHBondContact O-N 2.63Å; V94-G98 WeakPolarHBondContact O-CA 3.47Å; V94-G98 PolarHBondContact O-N 3.2Å; V94-I138 HydrophobicContact CB-CD1 4.24Å; V94-I138 HydrophobicContact CG1-CD1 3.63Å; V94-V360 HydrophobicContact CG2-CG2 3.55Å; V94-C363 WeakPolarHBondContact CG1-SG 3.37Å; V94-C363 PolarHBondContact O-SG 3.4Å |
| 95 | F | 96.3 | Very high | 95 | Very high | 46 Ų | 46 | 48 Ų | 48 | 20% | 0.202 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.2 | -50.2 | 177.8 | -176.5 | -99.3 | 0 | 0 | 0 | 112.4 | S91 C92 L93 I99 I134 I138 P139 | S91-F95 VanDerWaalsContact O-CB 3.31Å; S91-F95 WeakPolarHBondContact O-CB 3.37Å; S91-F95 PolarHBondContact O-N 3.27Å; C92-F95 PolarHBondContact O-N 3.38Å; L93-F95 VanDerWaalsContact C-N 3.32Å; L93-F95 PolarHBondContact O-N 3.47Å; F95-I99 HydrophobicContact CD1-CD1 3.97Å; F95-I99 HydrophobicContact CD2-CD1 4.12Å; F95-I99 HydrophobicContact CE1-CD1 3.47Å; F95-I99 VanDerWaalsContact CE1-CD1 3.47Å; F95-I99 HydrophobicContact CE2-CD1 3.66Å; F95-I99 HydrophobicContact CG-CD1 4.27Å; F95-I99 HydrophobicContact CZ-CD1 3.31Å; F95-I99 WeakPolarHBondContact O-CB 3.47Å; F95-I99 WeakPolarHBondContact O-CG1 3.22Å; F95-I99 PolarHBondContact O-N 3.44Å; F95-I134 HydrophobicContact CD2-CG2 3.69Å; F95-I134 HydrophobicContact CE2-CG2 4.26Å; F95-I134 HydrophobicContact CG-CG2 4.4Å; F95-I138 HydrophobicContact CB-CD1 4.18Å; F95-I138 HydrophobicContact CB-CG2 4.24Å; F95-I138 HydrophobicContact CD2-CB 4.16Å; F95-I138 HydrophobicContact CD2-CG2 4.38Å; F95-P139 HydrophobicContact CD2-CG 4.39Å; F95-P139 HydrophobicContact CE2-CG 3.8Å; F95-P139 HydrophobicContact CZ-CG 4.43Å |
| 96 | V | 95.8 | Very high | 95 | Very high | 80 Ų | 80 | 44 Ų | 44 | 49% | 0.485 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.8 | -50.8 | -179.1 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | C92 L93 G98 I99 I100 | C92-V96 WeakPolarHBondContact O-CG2 3.3Å; C92-V96 PolarHBondContact O-N 3.45Å; L93-V96 PolarHBondContact O-N 3.07Å; V96-G98 VanDerWaalsContact C-N 3.34Å; V96-G98 PolarHBondContact O-N 2.87Å; V96-I99 PolarHBondContact O-N 3.13Å; V96-I100 HydrophobicContact CG1-CD1 3.72Å; V96-I100 WeakPolarHBondContact O-CB 3.29Å; V96-I100 VanDerWaalsContact O-CG1 3.28Å; V96-I100 WeakPolarHBondContact O-CG1 3.21Å; V96-I100 PolarHBondContact O-N 3Å; V96-I100 VanDerWaalsContact O-N 3.07Å |
| 97 | V | 95.2 | Very high | 94.7 | Very high | 68 Ų | 68 | 45 Ų | 45 | 41% | 0.412 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | -179.4 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | L93 I100 G101 C363 I367 | L93-V97 WeakPolarHBondContact O-CB 3.38Å; L93-V97 VanDerWaalsContact O-CG2 3.29Å; L93-V97 WeakPolarHBondContact O-CG2 3.23Å; L93-V97 PolarHBondContact O-N 3.18Å; V97-I100 PolarHBondContact O-N 3.38Å; V97-G101 PolarHBondContact O-N 3.14Å; V97-C363 HydrophobicContact CG1-CB 4.29Å; V97-I367 HydrophobicContact CG1-CD1 4.3Å |
| 98 | G | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.3 | -45 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | V94 V96 N102 C363 | V94-G98 WeakPolarHBondContact O-CA 3.47Å; V94-G98 PolarHBondContact O-N 3.2Å; V96-G98 VanDerWaalsContact C-N 3.34Å; V96-G98 PolarHBondContact O-N 2.87Å; G98-N102 WeakPolarHBondContact O-CB 3.45Å; G98-N102 PolarHBondContact O-N 3.03Å; G98-N102 PolarHBondContact O-ND2 3.07Å; G98-C363 WeakPolarHBondContact CA-SG 3.33Å |
| 99 | I | 95.8 | Very high | 94.1 | Very high | 49 Ų | 49 | 43.8 Ų | 43.8 | 25% | 0.251 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.1 | -49.5 | 176.4 | -73.4 | 178.4 | 0 | 0 | 0 | 110.9 | F95 V96 S103 L131 I134 I135 | F95-I99 HydrophobicContact CD1-CD1 3.97Å; F95-I99 HydrophobicContact CD2-CD1 4.12Å; F95-I99 HydrophobicContact CE1-CD1 3.47Å; F95-I99 VanDerWaalsContact CE1-CD1 3.47Å; F95-I99 HydrophobicContact CE2-CD1 3.66Å; F95-I99 HydrophobicContact CG-CD1 4.27Å; F95-I99 HydrophobicContact CZ-CD1 3.31Å; F95-I99 WeakPolarHBondContact O-CB 3.47Å; F95-I99 WeakPolarHBondContact O-CG1 3.22Å; F95-I99 PolarHBondContact O-N 3.44Å; V96-I99 PolarHBondContact O-N 3.13Å; I99-S103 WeakPolarHBondContact O-CB 3.33Å; I99-S103 PolarHBondContact O-N 3.29Å; I99-S103 PolarHBondContact O-OG 3.15Å; I99-L131 HydrophobicContact CG1-CD2 4.42Å; I99-I134 HydrophobicContact CG1-CG2 3.99Å; I99-I135 HydrophobicContact CD1-CG1 4.23Å; I99-I135 HydrophobicContact CG1-CG1 4.4Å |
| 100 | I | 94.9 | Very high | 93.7 | Very high | 87 Ų | 87 | 48 Ų | 48 | 45% | 0.446 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.8 | -48.2 | -177.7 | -66.9 | 170.3 | 0 | 0 | 0 | 110.3 | V96 V97 T104 L384 | V96-I100 HydrophobicContact CG1-CD1 3.72Å; V96-I100 WeakPolarHBondContact O-CB 3.29Å; V96-I100 VanDerWaalsContact O-CG1 3.28Å; V96-I100 WeakPolarHBondContact O-CG1 3.21Å; V96-I100 PolarHBondContact O-N 3Å; V96-I100 VanDerWaalsContact O-N 3.07Å; V97-I100 PolarHBondContact O-N 3.38Å; I100-T104 WeakPolarHBondContact O-CB 3.45Å; I100-T104 PolarHBondContact O-N 3.07Å; I100-T104 PolarHBondContact O-OG1 3.32Å; I100-L384 HydrophobicContact CG2-CD2 4.21Å |
| 101 | G | 94 | Very high | 93.1 | Very high | 14 Ų | 14 | 51.8 Ų | 51.8 | 14% | 0.144 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.9 | -55.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V97 T104 L105 P366 | V97-G101 PolarHBondContact O-N 3.14Å; G101-T104 PolarHBondContact O-N 3.24Å; G101-L105 WeakPolarHBondContact O-CB 3.23Å; G101-L105 PolarHBondContact O-N 3.29Å; G101-P366 VanDerWaalsContact C-CG 3.47Å |
| 102 | N | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.1 | -36.5 | -176.1 | -71 | -63.7 | 0 | 0 | 0 | 112.4 | G98 T104 L105 L106 A127 L131 S362 P366 | G98-N102 WeakPolarHBondContact O-CB 3.45Å; G98-N102 PolarHBondContact O-N 3.03Å; G98-N102 PolarHBondContact O-ND2 3.07Å; N102-T104 PolarHBondContact O-N 3.38Å; N102-L105 PolarHBondContact O-N 3Å; N102-L106 PolarHBondContact O-N 2.8Å; N102-A127 HydrophobicContact CB-CB 4.33Å; N102-L131 HydrophobicContact CB-CD1 4.28Å; N102-L131 HydrophobicContact CB-CD2 3.84Å; N102-L131 HydrophobicContact CB-CG 3.71Å; N102-S362 PolarHBondContact ND2-O 3.02Å; N102-P366 WeakPolarHBondContact OD1-CG 3.17Å |
| 103 | S | 94.9 | Very high | 91.6 | Very high | 53 Ų | 53 | 58.1 Ų | 58.1 | 37% | 0.371 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.7 | -40 | 173.7 | -59.1 | 0 | 0 | 0 | 0 | 112 | I99 R107 | I99-S103 WeakPolarHBondContact O-CB 3.33Å; I99-S103 PolarHBondContact O-N 3.29Å; I99-S103 PolarHBondContact O-OG 3.15Å; S103-R107 WeakPolarHBondContact O-CB 3.25Å; S103-R107 PolarHBondContact O-N 3.43Å |
| 104 | T | 92.3 | Very high | 90.6 | Very high | 16 Ų | 16 | 54.8 Ų | 54.8 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 176.7 | -59.5 | 0 | 0 | 0 | 0 | 110.9 | I100 G101 N102 R107 I108 F380 C383 L384 | I100-T104 WeakPolarHBondContact O-CB 3.45Å; I100-T104 PolarHBondContact O-N 3.07Å; I100-T104 PolarHBondContact O-OG1 3.32Å; G101-T104 PolarHBondContact O-N 3.24Å; N102-T104 PolarHBondContact O-N 3.38Å; T104-R107 WeakPolarHBondContact O-CB 3.38Å; T104-R107 PolarHBondContact O-N 3.26Å; T104-I108 HydrophobicContact CG2-CD1 3.97Å; T104-I108 HydrophobicContact CG2-CG1 4.43Å; T104-I108 VanDerWaalsContact O-CG1 3.29Å; T104-I108 WeakPolarHBondContact O-CG1 3.48Å; T104-I108 PolarHBondContact O-N 3.47Å; T104-F380 HydrophobicContact CG2-CD1 3.58Å; T104-F380 HydrophobicContact CG2-CE1 3.71Å; T104-C383 HydrophobicContact CG2-CB 3.89Å; T104-L384 HydrophobicContact CG2-CD2 4.21Å; T104-L384 HydrophobicContact CG2-CG 4.19Å |
| 105 | L | 92.6 | Very high | 89.7 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.1 | -49.5 | 176.1 | -179.3 | 55.5 | 0 | 0 | 0 | 111.9 | G101 N102 R107 I108 I109 I123 A127 P366 L369 F376 F380 | G101-L105 WeakPolarHBondContact O-CB 3.23Å; G101-L105 PolarHBondContact O-N 3.29Å; N102-L105 PolarHBondContact O-N 3Å; L105-R107 VanDerWaalsContact C-N 3.31Å; L105-R107 PolarHBondContact O-N 3.08Å; L105-I108 PolarHBondContact O-N 2.82Å; L105-I109 HydrophobicContact CD1-CD1 4.02Å; L105-I109 HydrophobicContact CG-CD1 4.15Å; L105-I109 WeakPolarHBondContact O-CG1 3.25Å; L105-I109 PolarHBondContact O-N 2.8Å; L105-I109 VanDerWaalsContact O-N 3.11Å; L105-I123 HydrophobicContact CD1-CG2 4.14Å; L105-I123 HydrophobicContact CD2-CG2 3.79Å; L105-I123 HydrophobicContact CG-CG2 4.22Å; L105-A127 HydrophobicContact CD2-CB 3.98Å; L105-A127 HydrophobicContact CG-CB 4.37Å; L105-P366 HydrophobicContact CD2-CG 4.3Å; L105-L369 HydrophobicContact CD1-CD1 4.01Å; L105-L369 HydrophobicContact CD2-CD1 3.75Å; L105-F376 HydrophobicContact CD1-CD1 3.95Å; L105-F376 HydrophobicContact CD1-CE1 3.6Å; L105-F376 HydrophobicContact CD1-CZ 4.42Å; L105-F380 HydrophobicContact CB-CZ 4.04Å; L105-F380 HydrophobicContact CD1-CE2 4.42Å; L105-F380 HydrophobicContact CD1-CZ 4.11Å |
| 106 | L | 93.4 | Very high | 89 | Confident | 50 Ų | 50 | 56.4 Ų | 56.4 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.2 | -43.4 | 174.2 | -78 | 177 | 0 | 0 | 0 | 111.9 | N102 I108 I109 Y110 G124 A127 L131 | N102-L106 PolarHBondContact O-N 2.8Å; L106-I108 PolarHBondContact O-N 3.4Å; L106-I109 PolarHBondContact O-N 3.08Å; L106-Y110 VanDerWaalsContact O-CB 3.25Å; L106-Y110 WeakPolarHBondContact O-CB 3.35Å; L106-Y110 PolarHBondContact O-N 3.07Å; L106-G124 VanDerWaalsContact CD2-O 3.3Å; L106-G124 WeakPolarHBondContact CD2-O 3.07Å; L106-A127 HydrophobicContact CD2-CB 4.16Å; L106-A127 HydrophobicContact CG-CB 3.97Å; L106-L131 HydrophobicContact CD1-CD1 3.56Å |
| 107 | R | 90.7 | Very high | 88.2 | Confident | 120 Ų | 120 | 55.2 Ų | 55.2 | 45% | 0.453 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 177.5 | 178.5 | 177.1 | 170.6 | -170.6 | -9.4 | 112.3 | S103 T104 L105 Y110 K111 | S103-R107 WeakPolarHBondContact O-CB 3.25Å; S103-R107 PolarHBondContact O-N 3.43Å; T104-R107 WeakPolarHBondContact O-CB 3.38Å; T104-R107 PolarHBondContact O-N 3.26Å; L105-R107 VanDerWaalsContact C-N 3.31Å; L105-R107 PolarHBondContact O-N 3.08Å; R107-Y110 PolarHBondContact O-N 3.37Å; R107-K111 HydrophobicContact CG-CG 4.22Å; R107-K111 WeakPolarHBondContact O-CB 3.25Å; R107-K111 WeakPolarHBondContact O-CG 3.48Å; R107-K111 PolarHBondContact O-N 3.43Å |
| 108 | I | 87.8 | Confident | 87.4 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.9 | -50.5 | 177.7 | -71.9 | 164.4 | 0 | 0 | 0 | 110.1 | T104 L105 L106 Y110 K111 N112 M115 F376 C379 F380 | T104-I108 HydrophobicContact CG2-CD1 3.97Å; T104-I108 HydrophobicContact CG2-CG1 4.43Å; T104-I108 VanDerWaalsContact O-CG1 3.29Å; T104-I108 WeakPolarHBondContact O-CG1 3.48Å; T104-I108 PolarHBondContact O-N 3.47Å; L105-I108 PolarHBondContact O-N 2.82Å; L106-I108 PolarHBondContact O-N 3.4Å; I108-Y110 VanDerWaalsContact C-N 3.33Å; I108-Y110 PolarHBondContact O-N 2.98Å; I108-K111 PolarHBondContact O-N 3Å; I108-N112 WeakPolarHBondContact O-CB 3.37Å; I108-N112 PolarHBondContact O-N 3.45Å; I108-M115 HydrophobicContact CG2-CE 4.44Å; I108-F376 HydrophobicContact CG2-CD1 4.44Å; I108-C379 HydrophobicContact CB-CB 4.39Å; I108-C379 HydrophobicContact CD1-CB 3.8Å; I108-C379 HydrophobicContact CG1-CB 3.93Å; I108-C379 HydrophobicContact CG2-CB 3.53Å; I108-F380 HydrophobicContact CD1-CB 4.42Å; I108-F380 HydrophobicContact CD1-CD1 3.75Å; I108-F380 HydrophobicContact CD1-CD2 4.06Å; I108-F380 HydrophobicContact CD1-CE1 3.95Å; I108-F380 HydrophobicContact CD1-CE2 4.23Å; I108-F380 HydrophobicContact CD1-CG 3.79Å; I108-F380 HydrophobicContact CD1-CZ 4.18Å |
| 109 | I | 88.8 | Confident | 86.6 | Confident | 9 Ų | 9 | 52.8 Ų | 52.8 | 5% | 0.046 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.7 | -42.2 | -179.7 | -64 | 160.1 | 0 | 0 | 0 | 110.4 | L105 L106 R116 N120 I121 I123 F376 | L105-I109 HydrophobicContact CD1-CD1 4.02Å; L105-I109 HydrophobicContact CG-CD1 4.15Å; L105-I109 WeakPolarHBondContact O-CG1 3.25Å; L105-I109 PolarHBondContact O-N 2.8Å; L105-I109 VanDerWaalsContact O-N 3.11Å; L106-I109 PolarHBondContact O-N 3.08Å; I109-R116 VanDerWaalsContact O-CG 3.23Å; I109-R116 WeakPolarHBondContact O-CG 3.4Å; I109-N120 WeakPolarHBondContact CD1-O 3.26Å; I109-I121 HydrophobicContact CG2-CD1 3.99Å; I109-I123 HydrophobicContact CD1-CG2 4.25Å; I109-F376 HydrophobicContact CG1-CE1 4.37Å |
| 110 | Y | 87.1 | Confident | 86.1 | Confident | 156 Ų | 156 | 51.1 Ų | 51.1 | 61% | 0.612 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -67.3 | -42.3 | 178.2 | -178.7 | -99.4 | 0 | 0 | 0 | 112.2 | L106 R107 I108 R116 | L106-Y110 VanDerWaalsContact O-CB 3.25Å; L106-Y110 WeakPolarHBondContact O-CB 3.35Å; L106-Y110 PolarHBondContact O-N 3.07Å; R107-Y110 PolarHBondContact O-N 3.37Å; I108-Y110 VanDerWaalsContact C-N 3.33Å; I108-Y110 PolarHBondContact O-N 2.98Å; Y110-R116 VanDerWaalsContact O-CZ 3.32Å; Y110-R116 PolarHBondContact O-NE 2.89Å; Y110-R116 PolarHBondContact O-NH2 3.35Å |
| 111 | K | 83.6 | Confident | 85.8 | Confident | 138 Ų | 138 | 49.2 Ų | 49.2 | 60% | 0.6 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -78.7 | -35.2 | -176.1 | -71.8 | -67.7 | -176.5 | -176.5 | 0 | 113.3 | R107 I108 K113 | R107-K111 HydrophobicContact CG-CG 4.22Å; R107-K111 WeakPolarHBondContact O-CB 3.25Å; R107-K111 WeakPolarHBondContact O-CG 3.48Å; R107-K111 PolarHBondContact O-N 3.43Å; I108-K111 PolarHBondContact O-N 3Å; K111-K113 PolarHBondContact O-N 2.99Å |
| 112 | N | 80.3 | Confident | 85.5 | Confident | 47 Ų | 47 | 48.6 Ų | 48.6 | 25% | 0.251 | 23% | 0.227 | S | C | . | . | trans | -96.2 | 99.7 | -172.2 | -64.8 | 4.4 | 0 | 0 | 0 | 110.2 | I108 C114 M115 C379 | I108-N112 WeakPolarHBondContact O-CB 3.37Å; I108-N112 PolarHBondContact O-N 3.45Å; N112-C114 PolarHBondContact O-N 2.88Å; N112-C114 VanDerWaalsContact O-N 3.13Å; N112-M115 HydrophobicContact CB-CB 4.03Å; N112-M115 HydrophobicContact CB-CG 3.81Å; N112-M115 WeakPolarHBondContact O-CA 3.28Å; N112-M115 WeakPolarHBondContact O-CB 3.49Å; N112-M115 PolarHBondContact O-N 2.69Å; N112-C379 PolarHBondContact ND2-SG 3.27Å | ||
| 113 | K | 77.4 | Confident | 85.2 | Confident | 160 Ų | 160 | 49.1 Ų | 49.1 | 70% | 0.696 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -53 | -37.4 | 178.7 | -68.9 | -173.7 | -179.5 | -177.3 | 0 | 112.6 | K111 M115 R116 | K111-K113 PolarHBondContact O-N 2.99Å; K113-M115 PolarHBondContact O-N 2.93Å; K113-R116 WeakPolarHBondContact O-CB 3.46Å; K113-R116 PolarHBondContact O-N 3.32Å; K113-R116 VanDerWaalsContact O-N 3.07Å |
| 114 | C | 74.9 | Confident | 85.1 | Confident | 42 Ų | 42 | 47 Ų | 47 | 28% | 0.284 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -69 | -11 | 179 | -49.3 | 0 | 0 | 0 | 0 | 113.7 | N112 R375 C401 | N112-C114 PolarHBondContact O-N 2.88Å; N112-C114 VanDerWaalsContact O-N 3.13Å; C114-R375 VanDerWaalsContact C-NH2 3.3Å; C114-R375 PolarHBondContact O-NH1 2.93Å; C114-R375 VanDerWaalsContact O-NH1 3.13Å; C114-R375 PolarHBondContact O-NH2 2.87Å; C114-C401 HydrophobicContact CB-CB 3.96Å; C114-C401 WeakPolarHBondContact CB-SG 3.44Å; C114-C401 WeakPolarHBondContact SG-CB 3.26Å; C114-C401 CovalentContact SG-SG 2.04Å; C114-C401 PolarHBondContact SG-SG 3.49Å |
| 115 | M | 77 | Confident | 85.1 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -96.8 | -5.2 | 173.6 | -69.4 | -68.7 | -81.9 | 0 | 0 | 112.5 | I108 N112 K113 N117 N120 R375 F376 | I108-M115 HydrophobicContact CG2-CE 4.44Å; N112-M115 HydrophobicContact CB-CB 4.03Å; N112-M115 HydrophobicContact CB-CG 3.81Å; N112-M115 WeakPolarHBondContact O-CA 3.28Å; N112-M115 WeakPolarHBondContact O-CB 3.49Å; N112-M115 PolarHBondContact O-N 2.69Å; K113-M115 PolarHBondContact O-N 2.93Å; M115-N117 VanDerWaalsContact C-N 3.28Å; M115-N117 PolarHBondContact O-N 2.88Å; M115-N120 WeakPolarHBondContact O-CB 3.48Å; M115-N120 PolarHBondContact O-ND2 3.24Å; M115-R375 HydrophobicContact CE-CG 4.32Å; M115-R375 WeakPolarHBondContact SD-CD 3.49Å; M115-R375 HydrophobicContact SD-CG 3.75Å; M115-R375 PolarHBondContact SD-NE 3.33Å; M115-F376 HydrophobicContact CE-CD1 3.51Å; M115-F376 HydrophobicContact CE-CD2 4.07Å; M115-F376 HydrophobicContact CE-CE1 3.24Å; M115-F376 HydrophobicContact CE-CE2 3.83Å; M115-F376 HydrophobicContact CE-CG 3.92Å; M115-F376 HydrophobicContact CE-CZ 3.41Å; M115-F376 VanDerWaalsContact CE-CZ 3.41Å |
| 116 | R | 82 | Confident | 85 | Confident | 91 Ų | 91 | 47 Ų | 47 | 34% | 0.343 | 22% | 0.216 | S | C | . | . | trans | -87.2 | 61.6 | -177.5 | -61.2 | 179.8 | -176.2 | -179.4 | -6 | 112.2 | I109 Y110 K113 I121 | I109-R116 VanDerWaalsContact O-CG 3.23Å; I109-R116 WeakPolarHBondContact O-CG 3.4Å; Y110-R116 VanDerWaalsContact O-CZ 3.32Å; Y110-R116 PolarHBondContact O-NE 2.89Å; Y110-R116 PolarHBondContact O-NH2 3.35Å; K113-R116 WeakPolarHBondContact O-CB 3.46Å; K113-R116 PolarHBondContact O-N 3.32Å; K113-R116 VanDerWaalsContact O-N 3.07Å; R116-I121 HydrophobicContact CB-CD1 4.26Å; R116-I121 HydrophobicContact CG-CD1 4.49Å | ||
| 117 | N | 78.1 | Confident | 85.1 | Confident | 55 Ų | 55 | 44.6 Ų | 44.6 | 29% | 0.294 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -104.5 | 164.9 | 172.1 | 60 | 46.8 | 0 | 0 | 0 | 110.5 | M115 P119 N120 I121 | M115-N117 VanDerWaalsContact C-N 3.28Å; M115-N117 PolarHBondContact O-N 2.88Å; N117-P119 WeakPolarHBondContact OD1-CD 3.43Å; N117-N120 PolarHBondContact ND2-ND2 3.41Å; N117-N120 PolarHBondContact O-N 3.48Å; N117-N120 VanDerWaalsContact O-N 3.11Å; N117-N120 VanDerWaalsContact OD1-CB 3.28Å; N117-N120 WeakPolarHBondContact OD1-CB 2.85Å; N117-N120 PolarHBondContact OD1-N 3.18Å; N117-N120 VanDerWaalsContact OD1-N 3.11Å; N117-N120 PolarHBondContact OD1-ND2 2.86Å; N117-I121 WeakPolarHBondContact O-CG1 3.46Å; N117-I121 PolarHBondContact O-N 3.41Å |
| 118 | G | 78.6 | Confident | 85.3 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -45.4 | -56.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | N120 I121 L122 | G118-N120 VanDerWaalsContact C-N 3.33Å; G118-N120 PolarHBondContact O-N 2.96Å; G118-I121 PolarHBondContact O-N 3.11Å; G118-L122 PolarHBondContact O-N 3.21Å |
| 119 | P | 79.2 | Confident | 85.6 | Confident | 14 Ų | 14 | 42.5 Ų | 42.5 | 9% | 0.091 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -35.7 | -178 | -22.3 | 32.4 | 0 | 0 | 0 | 113.7 | N117 L122 I123 D181 R182 | N117-P119 WeakPolarHBondContact OD1-CD 3.43Å; P119-L122 PolarHBondContact O-N 3.25Å; P119-I123 WeakPolarHBondContact O-CG1 3.21Å; P119-I123 PolarHBondContact O-N 3.47Å; P119-D181 VanDerWaalsContact CG-OD2 3.27Å; P119-D181 WeakPolarHBondContact CG-OD2 3.32Å; P119-R182 VanDerWaalsContact CB-NH2 3.28Å |
| 120 | N | 85.5 | Confident | 85.8 | Confident | 14 Ų | 14 | 42.1 Ų | 42.1 | 8% | 0.075 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -73.7 | -30.8 | 177.6 | -71.8 | -6.7 | 0 | 0 | 0 | 112.6 | I109 M115 N117 G118 I123 G124 | I109-N120 WeakPolarHBondContact CD1-O 3.26Å; M115-N120 WeakPolarHBondContact O-CB 3.48Å; M115-N120 PolarHBondContact O-ND2 3.24Å; N117-N120 PolarHBondContact ND2-ND2 3.41Å; N117-N120 PolarHBondContact O-N 3.48Å; N117-N120 VanDerWaalsContact O-N 3.11Å; N117-N120 VanDerWaalsContact OD1-CB 3.28Å; N117-N120 WeakPolarHBondContact OD1-CB 2.85Å; N117-N120 PolarHBondContact OD1-N 3.18Å; N117-N120 VanDerWaalsContact OD1-N 3.11Å; N117-N120 PolarHBondContact OD1-ND2 2.86Å; G118-N120 VanDerWaalsContact C-N 3.33Å; G118-N120 PolarHBondContact O-N 2.96Å; N120-I123 PolarHBondContact O-N 3.47Å; N120-G124 PolarHBondContact O-N 3.38Å |
| 121 | I | 88.3 | Confident | 86.3 | Confident | 47 Ų | 47 | 35.5 Ų | 35.5 | 24% | 0.241 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.3 | -37 | 172.6 | -63.4 | -65.5 | 0 | 0 | 0 | 110.4 | I109 R116 N117 G118 G124 S125 V197 I205 | I109-I121 HydrophobicContact CG2-CD1 3.99Å; R116-I121 HydrophobicContact CB-CD1 4.26Å; R116-I121 HydrophobicContact CG-CD1 4.49Å; N117-I121 WeakPolarHBondContact O-CG1 3.46Å; N117-I121 PolarHBondContact O-N 3.41Å; G118-I121 PolarHBondContact O-N 3.11Å; I121-G124 CarbonylContact O-C 3.57Å; I121-G124 WeakPolarHBondContact O-CA 3.16Å; I121-G124 PolarHBondContact O-N 3.05Å; I121-G124 VanDerWaalsContact O-N 3.1Å; I121-S125 PolarHBondContact O-N 3.42Å; I121-V197 HydrophobicContact CG1-CG2 4Å; I121-I205 HydrophobicContact CG2-CD1 3.59Å |
| 122 | L | 88.4 | Confident | 86.8 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 171.8 | -175.8 | 60.5 | 0 | 0 | 0 | 111.9 | G118 P119 G124 S125 L126 A177 L178 M201 I205 I208 | G118-L122 PolarHBondContact O-N 3.21Å; P119-L122 PolarHBondContact O-N 3.25Å; L122-G124 VanDerWaalsContact C-N 3.25Å; L122-G124 PolarHBondContact O-N 2.9Å; L122-S125 WeakPolarHBondContact O-CB 3.47Å; L122-S125 PolarHBondContact O-N 2.83Å; L122-S125 VanDerWaalsContact O-N 3.14Å; L122-L126 PolarHBondContact O-N 2.8Å; L122-A177 HydrophobicContact CD1-CB 4.35Å; L122-A177 HydrophobicContact CD2-CB 3.65Å; L122-L178 HydrophobicContact CB-CD2 4.42Å; L122-L178 HydrophobicContact CD2-CB 4.37Å; L122-L178 HydrophobicContact CD2-CD2 3.73Å; L122-L178 HydrophobicContact CD2-CG 3.59Å; L122-L178 HydrophobicContact CG-CD2 4.16Å; L122-L178 HydrophobicContact CG-CG 4.05Å; L122-M201 HydrophobicContact CB-CE 4.5Å; L122-I205 HydrophobicContact CD1-CG1 4.15Å; L122-I208 HydrophobicContact CD1-CD1 3.83Å |
| 123 | I | 89.4 | Confident | 87.4 | Confident | 11 Ų | 11 | 30.1 Ų | 30.1 | 6% | 0.056 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.3 | -37.8 | 170.1 | -70.7 | 166.5 | 0 | 0 | 0 | 111.3 | L105 I109 P119 N120 L126 A127 L178 L369 F376 | L105-I123 HydrophobicContact CD1-CG2 4.14Å; L105-I123 HydrophobicContact CD2-CG2 3.79Å; L105-I123 HydrophobicContact CG-CG2 4.22Å; I109-I123 HydrophobicContact CD1-CG2 4.25Å; P119-I123 WeakPolarHBondContact O-CG1 3.21Å; P119-I123 PolarHBondContact O-N 3.47Å; N120-I123 PolarHBondContact O-N 3.47Å; I123-L126 WeakPolarHBondContact O-CB 3.07Å; I123-L126 PolarHBondContact O-N 2.82Å; I123-A127 WeakPolarHBondContact O-CB 3.35Å; I123-A127 PolarHBondContact O-N 3.48Å; I123-L178 HydrophobicContact CG1-CD1 4.41Å; I123-L178 HydrophobicContact CG1-CD2 4.16Å; I123-L369 HydrophobicContact CD1-CD1 4.36Å; I123-L369 HydrophobicContact CD1-CD2 4.01Å; I123-L369 HydrophobicContact CG2-CD1 3.51Å; I123-F376 HydrophobicContact CD1-CE2 4.38Å; I123-F376 HydrophobicContact CD1-CZ 4.4Å |
| 124 | G | 91.8 | Very high | 88.2 | Confident | 8 Ų | 8 | 22.5 Ų | 22.5 | 8% | 0.082 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.1 | -41.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L106 N120 I121 L122 L126 A127 L128 | L106-G124 VanDerWaalsContact CD2-O 3.3Å; L106-G124 WeakPolarHBondContact CD2-O 3.07Å; N120-G124 PolarHBondContact O-N 3.38Å; I121-G124 CarbonylContact O-C 3.57Å; I121-G124 WeakPolarHBondContact O-CA 3.16Å; I121-G124 PolarHBondContact O-N 3.05Å; I121-G124 VanDerWaalsContact O-N 3.1Å; L122-G124 VanDerWaalsContact C-N 3.25Å; L122-G124 PolarHBondContact O-N 2.9Å; G124-L126 VanDerWaalsContact C-N 3.35Å; G124-A127 PolarHBondContact O-N 2.97Å; G124-L128 PolarHBondContact O-N 3.39Å |
| 125 | S | 92.1 | Very high | 89.2 | Confident | 10 Ų | 10 | 24.8 Ų | 24.8 | 7% | 0.07 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.9 | -44.9 | 173.5 | 180 | 0 | 0 | 0 | 0 | 111.6 | I121 L122 L128 G129 W209 | I121-S125 PolarHBondContact O-N 3.42Å; L122-S125 WeakPolarHBondContact O-CB 3.47Å; L122-S125 PolarHBondContact O-N 2.83Å; L122-S125 VanDerWaalsContact O-N 3.14Å; S125-L128 PolarHBondContact O-N 2.84Å; S125-G129 PolarHBondContact O-N 3.07Å; S125-G129 VanDerWaalsContact O-N 3.09Å; S125-W209 PolarHBondContact OG-NE1 2.84Å |
| 126 | L | 91.3 | Very high | 89.9 | Confident | 9 Ų | 9 | 27.2 Ų | 27.2 | 5% | 0.047 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58 | -49 | 174.1 | 174.1 | 64.5 | 0 | 0 | 0 | 111.6 | L122 I123 G124 L128 G129 D130 T171 | L122-L126 PolarHBondContact O-N 2.8Å; I123-L126 WeakPolarHBondContact O-CB 3.07Å; I123-L126 PolarHBondContact O-N 2.82Å; G124-L126 VanDerWaalsContact C-N 3.35Å; L126-L128 PolarHBondContact O-N 3.46Å; L126-G129 PolarHBondContact O-N 3.47Å; L126-G129 VanDerWaalsContact O-N 3.12Å; L126-D130 PolarHBondContact O-N 3.3Å; L126-T171 HydrophobicContact CD1-CG2 3.71Å |
| 127 | A | 94.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.1 | -32.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N102 L105 L106 I123 G124 L131 | N102-A127 HydrophobicContact CB-CB 4.33Å; L105-A127 HydrophobicContact CD2-CB 3.98Å; L105-A127 HydrophobicContact CG-CB 4.37Å; L106-A127 HydrophobicContact CD2-CB 4.16Å; L106-A127 HydrophobicContact CG-CB 3.97Å; I123-A127 WeakPolarHBondContact O-CB 3.35Å; I123-A127 PolarHBondContact O-N 3.48Å; G124-A127 PolarHBondContact O-N 2.97Å; A127-L131 WeakPolarHBondContact O-CG 3.35Å; A127-L131 PolarHBondContact O-N 3.44Å; A127-L131 VanDerWaalsContact O-N 3.07Å |
| 128 | L | 95 | Very high | 91 | Very high | 78 Ų | 78 | 20.5 Ų | 20.5 | 41% | 0.408 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -70.2 | -43.1 | 174.5 | -176.1 | 60.7 | 0 | 0 | 0 | 111.7 | G124 S125 L126 L131 L132 W209 | G124-L128 PolarHBondContact O-N 3.39Å; S125-L128 PolarHBondContact O-N 2.84Å; L126-L128 PolarHBondContact O-N 3.46Å; L128-L131 PolarHBondContact O-N 2.95Å; L128-L132 WeakPolarHBondContact O-CG 3.43Å; L128-L132 PolarHBondContact O-N 3.42Å; L128-L132 VanDerWaalsContact O-N 3.09Å; L128-W209 HydrophobicContact CB-CZ2 4.33Å; L128-W209 HydrophobicContact CD2-CH2 3.72Å; L128-W209 HydrophobicContact CD2-CZ2 3.65Å; L128-W209 HydrophobicContact CG-CH2 3.96Å; L128-W209 HydrophobicContact CG-CZ2 4Å |
| 129 | G | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.4 | -43.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S125 L126 L131 L132 H133 S167 | S125-G129 PolarHBondContact O-N 3.07Å; S125-G129 VanDerWaalsContact O-N 3.09Å; L126-G129 PolarHBondContact O-N 3.47Å; L126-G129 VanDerWaalsContact O-N 3.12Å; G129-L131 PolarHBondContact O-N 3.45Å; G129-L132 PolarHBondContact O-N 3.04Å; G129-H133 PolarHBondContact O-N 2.96Å; G129-S167 WeakPolarHBondContact O-CB 3.26Å |
| 130 | D | 94.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.8 | -41.6 | 176.1 | -76.6 | -28.8 | 0 | 0 | 0 | 112.1 | L126 H133 I134 T171 S362 N365 | L126-D130 PolarHBondContact O-N 3.3Å; D130-H133 PolarHBondContact O-N 3.5Å; D130-I134 WeakPolarHBondContact O-CB 3.45Å; D130-I134 WeakPolarHBondContact O-CD1 3.22Å; D130-I134 VanDerWaalsContact O-CG1 3.27Å; D130-I134 WeakPolarHBondContact O-CG1 3.36Å; D130-I134 PolarHBondContact O-N 3.26Å; D130-T171 PolarHBondContact OD1-OG1 3.2Å; D130-S362 WeakPolarHBondContact OD1-CA 3.1Å; D130-S362 VanDerWaalsContact OD1-CB 3.26Å; D130-S362 WeakPolarHBondContact OD1-CB 3.37Å; D130-S362 PolarHBondContact OD1-OG 3.01Å; D130-N365 PolarHBondContact OD2-ND2 2.93Å |
| 131 | L | 95.9 | Very high | 92.7 | Very high | 17 Ų | 17 | 24 Ų | 24 | 9% | 0.089 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.5 | -42.2 | 174.5 | -77.4 | 172.6 | 0 | 0 | 0 | 112.4 | I99 N102 L106 A127 L128 G129 H133 I134 I135 | I99-L131 HydrophobicContact CG1-CD2 4.42Å; N102-L131 HydrophobicContact CB-CD1 4.28Å; N102-L131 HydrophobicContact CB-CD2 3.84Å; N102-L131 HydrophobicContact CB-CG 3.71Å; L106-L131 HydrophobicContact CD1-CD1 3.56Å; A127-L131 WeakPolarHBondContact O-CG 3.35Å; A127-L131 PolarHBondContact O-N 3.44Å; A127-L131 VanDerWaalsContact O-N 3.07Å; L128-L131 PolarHBondContact O-N 2.95Å; G129-L131 PolarHBondContact O-N 3.45Å; L131-H133 VanDerWaalsContact C-N 3.34Å; L131-I134 PolarHBondContact O-N 3.14Å; L131-I135 HydrophobicContact CB-CD1 4.31Å; L131-I135 VanDerWaalsContact O-CB 3.26Å; L131-I135 WeakPolarHBondContact O-CB 3.35Å; L131-I135 WeakPolarHBondContact O-CD1 3.3Å; L131-I135 WeakPolarHBondContact O-CG1 3.42Å; L131-I135 PolarHBondContact O-N 3.25Å |
| 132 | L | 94.4 | Very high | 92.9 | Very high | 57 Ų | 57 | 22.8 Ų | 22.8 | 30% | 0.298 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -60.6 | -45.2 | 176.3 | -71.6 | 172.3 | 0 | 0 | 0 | 111.2 | L128 G129 I136 V163 S167 W209 | L128-L132 WeakPolarHBondContact O-CG 3.43Å; L128-L132 PolarHBondContact O-N 3.42Å; L128-L132 VanDerWaalsContact O-N 3.09Å; G129-L132 PolarHBondContact O-N 3.04Å; L132-I136 WeakPolarHBondContact O-CB 3.32Å; L132-I136 PolarHBondContact O-N 3.47Å; L132-V163 HydrophobicContact CB-CG1 4.39Å; L132-S167 WeakPolarHBondContact CB-OG 3.29Å; L132-W209 HydrophobicContact CD1-CH2 3.88Å; L132-W209 HydrophobicContact CD1-CZ3 4.21Å |
| 133 | H | 93.1 | Very high | 93.1 | Very high | 16 Ų | 16 | 26.5 Ų | 26.5 | 7% | 0.074 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.3 | -48 | 175.9 | 179.3 | 71.7 | 0 | 0 | 0 | 112.1 | G129 D130 L131 G137 S359 | G129-H133 PolarHBondContact O-N 2.96Å; D130-H133 PolarHBondContact O-N 3.5Å; L131-H133 VanDerWaalsContact C-N 3.34Å; H133-G137 WeakPolarHBondContact O-CA 3.19Å; H133-G137 PolarHBondContact O-N 3.06Å; H133-S359 PolarHBondContact NE2-OG 3.49Å |
| 134 | I | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.8 | -47.4 | -177 | -71.3 | 159.6 | 0 | 0 | 0 | 111.7 | F95 I99 D130 L131 I136 I138 P139 | F95-I134 HydrophobicContact CD2-CG2 3.69Å; F95-I134 HydrophobicContact CE2-CG2 4.26Å; F95-I134 HydrophobicContact CG-CG2 4.4Å; I99-I134 HydrophobicContact CG1-CG2 3.99Å; D130-I134 WeakPolarHBondContact O-CB 3.45Å; D130-I134 WeakPolarHBondContact O-CD1 3.22Å; D130-I134 VanDerWaalsContact O-CG1 3.27Å; D130-I134 WeakPolarHBondContact O-CG1 3.36Å; D130-I134 PolarHBondContact O-N 3.26Å; L131-I134 PolarHBondContact O-N 3.14Å; I134-I136 PolarHBondContact O-N 2.9Å; I134-I138 HydrophobicContact CB-CD1 4.49Å; I134-I138 HydrophobicContact CG1-CD1 4.38Å; I134-I138 HydrophobicContact CG2-CD1 4.03Å; I134-I138 PolarHBondContact O-N 2.88Å; I134-P139 WeakPolarHBondContact O-CD 2.99Å |
| 135 | I | 94.7 | Very high | 93.1 | Very high | 90 Ų | 90 | 30.3 Ų | 30.3 | 46% | 0.462 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -66.6 | -40 | -173.9 | -70 | 168.5 | 0 | 0 | 0 | 111.4 | I99 L131 P139 | I99-I135 HydrophobicContact CD1-CG1 4.23Å; I99-I135 HydrophobicContact CG1-CG1 4.4Å; L131-I135 HydrophobicContact CB-CD1 4.31Å; L131-I135 VanDerWaalsContact O-CB 3.26Å; L131-I135 WeakPolarHBondContact O-CB 3.35Å; L131-I135 WeakPolarHBondContact O-CD1 3.3Å; L131-I135 WeakPolarHBondContact O-CG1 3.42Å; L131-I135 PolarHBondContact O-N 3.25Å; I135-P139 WeakPolarHBondContact O-CD 3.42Å; I135-P139 WeakPolarHBondContact O-CG 3.28Å |
| 136 | I | 91.6 | Very high | 93.1 | Very high | 51 Ų | 51 | 34.2 Ų | 34.2 | 26% | 0.262 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -93.3 | -40.8 | -176.1 | -65.1 | 164.3 | 0 | 0 | 0 | 110.8 | L132 I134 I140 V160 V163 | L132-I136 WeakPolarHBondContact O-CB 3.32Å; L132-I136 PolarHBondContact O-N 3.47Å; I134-I136 PolarHBondContact O-N 2.9Å; I136-I140 VanDerWaalsContact O-CG1 3.27Å; I136-I140 WeakPolarHBondContact O-CG1 3.42Å; I136-V160 HydrophobicContact CG2-CG1 4.32Å; I136-V160 HydrophobicContact CG2-CG2 4.11Å; I136-V163 HydrophobicContact CD1-CB 4.23Å; I136-V163 HydrophobicContact CD1-CG1 3.53Å; I136-V163 HydrophobicContact CD1-CG2 4.45Å |
| 137 | G | 90.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -74.7 | -51 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H133 N141 | H133-G137 WeakPolarHBondContact O-CA 3.19Å; H133-G137 PolarHBondContact O-N 3.06Å; G137-N141 WeakPolarHBondContact O-CB 3.27Å; G137-N141 VanDerWaalsContact O-CG 3.23Å; G137-N141 PolarHBondContact O-N 3.01Å; G137-N141 PolarHBondContact O-ND2 3.42Å |
| 138 | I | 93.1 | Very high | 92.3 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.2 | -50.2 | -172.2 | -61.1 | -175.9 | 0 | 0 | 0 | 112.2 | V94 F95 I134 I140 N141 V142 | V94-I138 HydrophobicContact CB-CD1 4.24Å; V94-I138 HydrophobicContact CG1-CD1 3.63Å; F95-I138 HydrophobicContact CB-CD1 4.18Å; F95-I138 HydrophobicContact CB-CG2 4.24Å; F95-I138 HydrophobicContact CD2-CB 4.16Å; F95-I138 HydrophobicContact CD2-CG2 4.38Å; I134-I138 HydrophobicContact CB-CD1 4.49Å; I134-I138 HydrophobicContact CG1-CD1 4.38Å; I134-I138 HydrophobicContact CG2-CD1 4.03Å; I134-I138 PolarHBondContact O-N 2.88Å; I138-I140 VanDerWaalsContact C-N 3.31Å; I138-I140 PolarHBondContact O-N 2.8Å; I138-N141 PolarHBondContact O-N 3.29Å; I138-V142 HydrophobicContact CG2-CG2 4.12Å; I138-V142 WeakPolarHBondContact O-CG2 3.41Å; I138-V142 PolarHBondContact O-N 3Å |
| 139 | P | 93.8 | Very high | 91.8 | Very high | 58 Ų | 58 | 40.5 Ų | 40.5 | 38% | 0.377 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.9 | -40.7 | -178 | -26 | 37 | 0 | 0 | 0 | 112.9 | F95 I134 I135 V142 Y143 | F95-P139 HydrophobicContact CD2-CG 4.39Å; F95-P139 HydrophobicContact CE2-CG 3.8Å; F95-P139 HydrophobicContact CZ-CG 4.43Å; I134-P139 WeakPolarHBondContact O-CD 2.99Å; I135-P139 WeakPolarHBondContact O-CD 3.42Å; I135-P139 WeakPolarHBondContact O-CG 3.28Å; P139-V142 PolarHBondContact O-N 3.03Å; P139-Y143 WeakPolarHBondContact O-CB 3.34Å; P139-Y143 PolarHBondContact O-N 3.46Å |
| 140 | I | 92.4 | Very high | 91.6 | Very high | 23 Ų | 23 | 41.3 Ų | 41.3 | 12% | 0.118 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67 | -40.6 | 178.7 | -63.8 | -66.1 | 0 | 0 | 0 | 111.4 | I136 I138 Y143 K144 W150 F152 V160 | I136-I140 VanDerWaalsContact O-CG1 3.27Å; I136-I140 WeakPolarHBondContact O-CG1 3.42Å; I138-I140 VanDerWaalsContact C-N 3.31Å; I138-I140 PolarHBondContact O-N 2.8Å; I140-Y143 PolarHBondContact O-N 2.96Å; I140-K144 WeakPolarHBondContact O-CB 3.39Å; I140-K144 PolarHBondContact O-N 3.13Å; I140-W150 HydrophobicContact CG2-CH2 3.74Å; I140-W150 HydrophobicContact CG2-CZ3 3.48Å; I140-W150 VanDerWaalsContact CG2-CZ3 3.48Å; I140-F152 HydrophobicContact CD1-CD2 4.1Å; I140-F152 HydrophobicContact CD1-CE1 4.49Å; I140-F152 HydrophobicContact CD1-CE2 3.85Å; I140-F152 HydrophobicContact CD1-CZ 4.07Å; I140-V160 HydrophobicContact CB-CG1 4.39Å; I140-V160 HydrophobicContact CG1-CG1 4.39Å; I140-V160 HydrophobicContact CG1-CG2 4.13Å; I140-V160 HydrophobicContact CG2-CG1 4.1Å |
| 141 | N | 91.6 | Very high | 91.3 | Very high | 24 Ų | 24 | 44.3 Ų | 44.3 | 13% | 0.128 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.3 | -39.2 | 178.3 | -69.9 | -34.1 | 0 | 0 | 0 | 112.1 | G137 I138 K144 L145 I355 | G137-N141 WeakPolarHBondContact O-CB 3.27Å; G137-N141 VanDerWaalsContact O-CG 3.23Å; G137-N141 PolarHBondContact O-N 3.01Å; G137-N141 PolarHBondContact O-ND2 3.42Å; I138-N141 PolarHBondContact O-N 3.29Å; N141-K144 PolarHBondContact O-N 2.98Å; N141-L145 WeakPolarHBondContact O-CB 3.39Å; N141-L145 PolarHBondContact O-N 2.7Å; N141-I355 HydrophobicContact CB-CG2 4.26Å; N141-I355 WeakPolarHBondContact ND2-CG2 3.27Å |
| 142 | V | 94 | Very high | 91.1 | Very high | 21 Ų | 21 | 46.6 Ų | 46.6 | 13% | 0.127 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.1 | -44.3 | 174.1 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | T88 S91 I138 P139 K144 L145 L146 | T88-V142 HydrophobicContact CG2-CG1 3.99Å; S91-V142 VanDerWaalsContact CB-CG2 3.46Å; I138-V142 HydrophobicContact CG2-CG2 4.12Å; I138-V142 WeakPolarHBondContact O-CG2 3.41Å; I138-V142 PolarHBondContact O-N 3Å; P139-V142 PolarHBondContact O-N 3.03Å; V142-K144 VanDerWaalsContact C-N 3.35Å; V142-K144 PolarHBondContact O-N 3.38Å; V142-L145 WeakPolarHBondContact O-CB 3.47Å; V142-L145 PolarHBondContact O-N 3.04Å; V142-L146 HydrophobicContact CG1-CD1 3.82Å; V142-L146 HydrophobicContact CG1-CG 4.4Å; V142-L146 WeakPolarHBondContact O-CG 3.48Å; V142-L146 PolarHBondContact O-N 2.93Å; V142-L146 VanDerWaalsContact O-N 3.09Å |
| 143 | Y | 92.8 | Very high | 91 | Very high | 77 Ų | 77 | 45.2 Ų | 45.2 | 30% | 0.302 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58 | -48.3 | 175.7 | -177 | -85.8 | 0 | 0 | 0 | 111.3 | P139 I140 L145 L146 A147 D149 P151 F152 | P139-Y143 WeakPolarHBondContact O-CB 3.34Å; P139-Y143 PolarHBondContact O-N 3.46Å; I140-Y143 PolarHBondContact O-N 2.96Å; Y143-L145 PolarHBondContact O-N 3.23Å; Y143-L146 PolarHBondContact O-N 2.88Å; Y143-L146 VanDerWaalsContact O-N 3.17Å; Y143-A147 HydrophobicContact CD1-CB 4.11Å; Y143-A147 HydrophobicContact CD2-CB 4.31Å; Y143-A147 HydrophobicContact CE1-CB 3.62Å; Y143-A147 HydrophobicContact CE2-CB 3.86Å; Y143-A147 HydrophobicContact CG-CB 4.42Å; Y143-A147 VanDerWaalsContact CZ-CB 3.46Å; Y143-A147 WeakPolarHBondContact O-CB 3.37Å; Y143-A147 PolarHBondContact O-N 3.03Å; Y143-D149 WeakPolarHBondContact CE1-O 3.38Å; Y143-P151 VanDerWaalsContact CE1-CD 3.41Å; Y143-P151 HydrophobicContact CE1-CG 3.9Å; Y143-P151 WeakPolarHBondContact OH-CG 3.45Å; Y143-F152 AromaticContact CD1-CE2 3.44Å; Y143-F152 HydrophobicContact CD1-CE2 3.44Å; Y143-F152 VanDerWaalsContact CD1-CE2 3.44Å; Y143-F152 AromaticContact CD1-CZ 3.67Å; Y143-F152 HydrophobicContact CD1-CZ 3.67Å; Y143-F152 HydrophobicContact CD2-CZ 4Å; Y143-F152 AromaticContact CE1-CE2 3.75Å; Y143-F152 HydrophobicContact CE1-CE2 3.75Å; Y143-F152 AromaticContact CE1-CZ 3.92Å; Y143-F152 HydrophobicContact CE1-CZ 3.92Å; Y143-F152 HydrophobicContact CE2-CZ 4.22Å; Y143-F152 AromaticContact CG-CE2 3.94Å; Y143-F152 HydrophobicContact CG-CE2 3.94Å; Y143-F152 AromaticContact CG-CZ 3.73Å; Y143-F152 HydrophobicContact CG-CZ 3.73Å |
| 144 | K | 90.4 | Very high | 91 | Very high | 98 Ų | 98 | 47.4 Ų | 47.4 | 43% | 0.426 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.5 | -33 | 178.7 | -171.9 | 179.1 | 174.2 | 179.1 | 0 | 112.8 | I140 N141 V142 E148 | I140-K144 WeakPolarHBondContact O-CB 3.39Å; I140-K144 PolarHBondContact O-N 3.13Å; N141-K144 PolarHBondContact O-N 2.98Å; V142-K144 VanDerWaalsContact C-N 3.35Å; V142-K144 PolarHBondContact O-N 3.38Å; K144-E148 PolarHBondContact O-N 3.18Å |
| 145 | L | 91 | Very high | 91 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.3 | -35.3 | 177.4 | -179.1 | 62.5 | 0 | 0 | 0 | 113.2 | I79 K84 N87 N141 V142 Y143 Y352 | I79-L145 HydrophobicContact CD1-CD1 3.94Å; I79-L145 HydrophobicContact CG2-CD1 4.18Å; K84-L145 HydrophobicContact CB-CG 4.39Å; K84-L145 HydrophobicContact CG-CD1 3.96Å; K84-L145 HydrophobicContact CG-CG 4.13Å; N87-L145 HydrophobicContact CB-CD2 3.87Å; N87-L145 WeakPolarHBondContact ND2-CD2 3.37Å; N141-L145 WeakPolarHBondContact O-CB 3.39Å; N141-L145 PolarHBondContact O-N 2.7Å; V142-L145 WeakPolarHBondContact O-CB 3.47Å; V142-L145 PolarHBondContact O-N 3.04Å; Y143-L145 PolarHBondContact O-N 3.23Å; L145-Y352 WeakPolarHBondContact CA-OH 3.29Å; L145-Y352 HydrophobicContact CB-CD1 4.36Å; L145-Y352 HydrophobicContact CB-CE1 3.7Å; L145-Y352 HydrophobicContact CD1-CD1 4.21Å; L145-Y352 HydrophobicContact CD1-CD2 3.84Å; L145-Y352 HydrophobicContact CD1-CE1 4.02Å; L145-Y352 HydrophobicContact CD1-CE2 3.63Å; L145-Y352 HydrophobicContact CD1-CG 4.14Å; L145-Y352 HydrophobicContact CD2-CD1 4.33Å; L145-Y352 HydrophobicContact CD2-CE1 4.46Å; L145-Y352 HydrophobicContact CG-CE1 4.28Å; L145-Y352 PolarHBondContact N-OH 3.1Å |
| 146 | L | 91.1 | Very high | 90.9 | Very high | 93 Ų | 93 | 51.7 Ų | 51.7 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -94 | -44.1 | -173 | -64.7 | 178 | 0 | 0 | 0 | 113 | K84 T88 V142 Y143 | K84-L146 HydrophobicContact CB-CD2 4.35Å; T88-L146 HydrophobicContact CG2-CD1 4.39Å; V142-L146 HydrophobicContact CG1-CD1 3.82Å; V142-L146 HydrophobicContact CG1-CG 4.4Å; V142-L146 WeakPolarHBondContact O-CG 3.48Å; V142-L146 PolarHBondContact O-N 2.93Å; V142-L146 VanDerWaalsContact O-N 3.09Å; Y143-L146 PolarHBondContact O-N 2.88Å; Y143-L146 VanDerWaalsContact O-N 3.17Å |
| 147 | A | 85.9 | Confident | 91 | Very high | 46 Ų | 46 | 49.2 Ų | 49.2 | 38% | 0.38 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -93.4 | -18.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y143 D149 | Y143-A147 HydrophobicContact CD1-CB 4.11Å; Y143-A147 HydrophobicContact CD2-CB 4.31Å; Y143-A147 HydrophobicContact CE1-CB 3.62Å; Y143-A147 HydrophobicContact CE2-CB 3.86Å; Y143-A147 HydrophobicContact CG-CB 4.42Å; Y143-A147 VanDerWaalsContact CZ-CB 3.46Å; Y143-A147 WeakPolarHBondContact O-CB 3.37Å; Y143-A147 PolarHBondContact O-N 3.03Å; A147-D149 PolarHBondContact O-N 2.95Å |
| 148 | E | 83.9 | Confident | 91.3 | Very high | 124 Ų | 124 | 51.8 Ų | 51.8 | 58% | 0.579 | 28% | 0.281 | S | S | * | . | trans | 53.5 | 13.1 | -179.6 | -59.4 | -177.3 | -174.1 | 0 | 0 | 115.3 | K84 K144 | K84-E148 WeakPolarHBondContact CE-OE1 3.45Å; K84-E148 IonicContact NZ-OE1 3.77Å; K84-E148 PolarHBondContact NZ-OE1 3.41Å; K144-E148 PolarHBondContact O-N 3.18Å | ||
| 149 | D | 84.2 | Confident | 91.3 | Very high | 49 Ų | 49 | 54.5 Ų | 54.5 | 26% | 0.262 | 30% | 0.298 | S | S | . | . | trans | -121 | 167.5 | 179.6 | -170.3 | 22.5 | 0 | 0 | 0 | 111.8 | Y143 A147 R236 | Y143-D149 WeakPolarHBondContact CE1-O 3.38Å; A147-D149 PolarHBondContact O-N 2.95Å; D149-R236 IonicContact OD2-NH2 2.84Å; D149-R236 PolarHBondContact OD2-NH2 3.3Å | ||
| 150 | W | 88.6 | Confident | 91.3 | Very high | 16 Ų | 16 | 52 Ų | 52 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | trans | -125.3 | 88.8 | 171.5 | -171.8 | -87.7 | 0 | 0 | 0 | 112.2 | I140 F152 G153 L156 C157 V160 R236 C238 | I140-W150 HydrophobicContact CG2-CH2 3.74Å; I140-W150 HydrophobicContact CG2-CZ3 3.48Å; I140-W150 VanDerWaalsContact CG2-CZ3 3.48Å; W150-F152 VanDerWaalsContact C-N 3.34Å; W150-F152 AromaticContact CD2-CD2 3.9Å; W150-F152 HydrophobicContact CD2-CD2 3.9Å; W150-F152 AromaticContact CE2-CD2 3.92Å; W150-F152 AromaticContact CE3-CD2 3.95Å; W150-F152 HydrophobicContact CE3-CD2 3.95Å; W150-F152 HydrophobicContact CH2-CD2 4.07Å; W150-F152 HydrophobicContact CZ2-CB 3.9Å; W150-F152 AromaticContact CZ2-CD2 3.98Å; W150-F152 HydrophobicContact CZ2-CD2 3.98Å; W150-F152 HydrophobicContact CZ2-CG 4.4Å; W150-F152 HydrophobicContact CZ3-CD2 4.05Å; W150-F152 PolarHBondContact O-N 3.11Å; W150-G153 PolarHBondContact NE1-O 3.33Å; W150-L156 HydrophobicContact CZ2-CB 4.05Å; W150-C157 HydrophobicContact CZ2-CB 4.09Å; W150-V160 HydrophobicContact CH2-CB 4.47Å; W150-V160 HydrophobicContact CH2-CG2 4.28Å; W150-R236 PolarHBondContact N-O 3.43Å; W150-C238 HydrophobicContact CB-CB 4.28Å; W150-C238 HydrophobicContact CD2-CB 3.44Å; W150-C238 VanDerWaalsContact CD2-CB 3.44Å; W150-C238 HydrophobicContact CE3-CB 3.84Å; W150-C238 HydrophobicContact CG-CB 3.62Å; W150-C238 HydrophobicContact CZ2-CB 4.37Å; W150-C238 HydrophobicContact CZ3-CB 4.42Å | ||
| 151 | P | 89.5 | Confident | 91.5 | Very high | 63 Ų | 63 | 51.4 Ų | 51.4 | 41% | 0.409 | 28% | 0.28 | S | S | . | . | trans | -84.6 | -5.5 | 179.5 | 36.5 | -40.4 | 0 | 0 | 0 | 113.8 | Y143 G153 | Y143-P151 VanDerWaalsContact CE1-CD 3.41Å; Y143-P151 HydrophobicContact CE1-CG 3.9Å; Y143-P151 WeakPolarHBondContact OH-CG 3.45Å; P151-G153 VanDerWaalsContact C-N 3.27Å; P151-G153 PolarHBondContact O-N 3.11Å | ||
| 152 | F | 90.6 | Very high | 91.7 | Very high | 66 Ų | 66 | 52.6 Ų | 52.6 | 29% | 0.289 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -80.6 | 1.2 | -164.8 | -56.6 | -65 | 0 | 0 | 0 | 115.4 | I140 Y143 W150 L156 | I140-F152 HydrophobicContact CD1-CD2 4.1Å; I140-F152 HydrophobicContact CD1-CE1 4.49Å; I140-F152 HydrophobicContact CD1-CE2 3.85Å; I140-F152 HydrophobicContact CD1-CZ 4.07Å; Y143-F152 AromaticContact CD1-CE2 3.44Å; Y143-F152 HydrophobicContact CD1-CE2 3.44Å; Y143-F152 VanDerWaalsContact CD1-CE2 3.44Å; Y143-F152 AromaticContact CD1-CZ 3.67Å; Y143-F152 HydrophobicContact CD1-CZ 3.67Å; Y143-F152 HydrophobicContact CD2-CZ 4Å; Y143-F152 AromaticContact CE1-CE2 3.75Å; Y143-F152 HydrophobicContact CE1-CE2 3.75Å; Y143-F152 AromaticContact CE1-CZ 3.92Å; Y143-F152 HydrophobicContact CE1-CZ 3.92Å; Y143-F152 HydrophobicContact CE2-CZ 4.22Å; Y143-F152 AromaticContact CG-CE2 3.94Å; Y143-F152 HydrophobicContact CG-CE2 3.94Å; Y143-F152 AromaticContact CG-CZ 3.73Å; Y143-F152 HydrophobicContact CG-CZ 3.73Å; W150-F152 VanDerWaalsContact C-N 3.34Å; W150-F152 AromaticContact CD2-CD2 3.9Å; W150-F152 HydrophobicContact CD2-CD2 3.9Å; W150-F152 AromaticContact CE2-CD2 3.92Å; W150-F152 AromaticContact CE3-CD2 3.95Å; W150-F152 HydrophobicContact CE3-CD2 3.95Å; W150-F152 HydrophobicContact CH2-CD2 4.07Å; W150-F152 HydrophobicContact CZ2-CB 3.9Å; W150-F152 AromaticContact CZ2-CD2 3.98Å; W150-F152 HydrophobicContact CZ2-CD2 3.98Å; W150-F152 HydrophobicContact CZ2-CG 4.4Å; W150-F152 HydrophobicContact CZ3-CD2 4.05Å; W150-F152 PolarHBondContact O-N 3.11Å; F152-L156 HydrophobicContact CB-CB 3.81Å; F152-L156 HydrophobicContact CB-CD1 3.67Å; F152-L156 HydrophobicContact CB-CG 4.37Å; F152-L156 HydrophobicContact CD1-CD1 4.35Å; F152-L156 HydrophobicContact CG-CD1 4.33Å |
| 153 | G | 92.6 | Very high | 91.7 | Very high | 28 Ų | 28 | 52.8 Ų | 52.8 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | 76.5 | 173.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | W150 P151 C157 M225 | W150-G153 PolarHBondContact NE1-O 3.33Å; P151-G153 VanDerWaalsContact C-N 3.27Å; P151-G153 PolarHBondContact O-N 3.11Å; G153-C157 PolarHBondContact O-N 3.06Å; G153-M225 WeakPolarHBondContact O-CE 3.41Å |
| 154 | V | 93.5 | Very high | 91.8 | Very high | 61 Ų | 61 | 50.9 Ų | 50.9 | 37% | 0.37 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.4 | -36.4 | -174.5 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | L156 C157 K158 D224 M225 | V154-L156 PolarHBondContact O-N 3.47Å; V154-C157 VanDerWaalsContact O-CB 3.31Å; V154-C157 WeakPolarHBondContact O-CB 3.42Å; V154-C157 PolarHBondContact O-N 2.72Å; V154-C157 VanDerWaalsContact O-N 3.12Å; V154-K158 HydrophobicContact CG1-CD 4.3Å; V154-K158 PolarHBondContact O-N 3Å; V154-K158 VanDerWaalsContact O-N 3.1Å; V154-D224 WeakPolarHBondContact CG1-OD1 3.31Å; V154-M225 HydrophobicContact CG2-CB 3.83Å; V154-M225 HydrophobicContact CG2-CE 4.1Å |
| 155 | T | 94.1 | Very high | 92 | Very high | 108 Ų | 108 | 47.2 Ų | 47.2 | 66% | 0.663 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -58.6 | -51.5 | -179.3 | -51.9 | 0 | 0 | 0 | 0 | 111.3 | C157 K158 V159 | T155-C157 VanDerWaalsContact C-N 3.28Å; T155-C157 PolarHBondContact O-N 3.42Å; T155-K158 PolarHBondContact O-N 3.05Å; T155-V159 HydrophobicContact CG2-CG2 4.32Å; T155-V159 WeakPolarHBondContact O-CB 3.41Å; T155-V159 VanDerWaalsContact O-CG2 3.3Å; T155-V159 WeakPolarHBondContact O-CG2 3.46Å; T155-V159 PolarHBondContact O-N 2.85Å |
| 156 | L | 92.9 | Very high | 92.3 | Very high | 72 Ų | 72 | 47.5 Ų | 47.5 | 38% | 0.377 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.4 | -31 | 177.2 | -76.9 | 170.1 | 0 | 0 | 0 | 111.8 | W150 F152 V154 K158 V159 V160 | W150-L156 HydrophobicContact CZ2-CB 4.05Å; F152-L156 HydrophobicContact CB-CB 3.81Å; F152-L156 HydrophobicContact CB-CD1 3.67Å; F152-L156 HydrophobicContact CB-CG 4.37Å; F152-L156 HydrophobicContact CD1-CD1 4.35Å; F152-L156 HydrophobicContact CG-CD1 4.33Å; V154-L156 PolarHBondContact O-N 3.47Å; L156-K158 PolarHBondContact O-N 2.87Å; L156-V159 PolarHBondContact O-N 3.19Å; L156-V160 HydrophobicContact CD2-CG2 4.34Å; L156-V160 WeakPolarHBondContact O-CB 3.49Å; L156-V160 VanDerWaalsContact O-CG2 3.25Å; L156-V160 WeakPolarHBondContact O-CG2 3.36Å; L156-V160 PolarHBondContact O-N 3.36Å |
| 157 | C | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.2 | -32.9 | 175.4 | 179.8 | 0 | 0 | 0 | 0 | 112.5 | W150 G153 V154 T155 P161 D224 C238 | W150-C157 HydrophobicContact CZ2-CB 4.09Å; G153-C157 PolarHBondContact O-N 3.06Å; V154-C157 VanDerWaalsContact O-CB 3.31Å; V154-C157 WeakPolarHBondContact O-CB 3.42Å; V154-C157 PolarHBondContact O-N 2.72Å; V154-C157 VanDerWaalsContact O-N 3.12Å; T155-C157 VanDerWaalsContact C-N 3.28Å; T155-C157 PolarHBondContact O-N 3.42Å; C157-P161 WeakPolarHBondContact O-CD 3.29Å; C157-P161 WeakPolarHBondContact O-CG 3.13Å; C157-D224 VanDerWaalsContact SG-C 3.59Å; C157-C238 WeakPolarHBondContact CA-SG 3.43Å; C157-C238 HydrophobicContact CB-CB 3.78Å; C157-C238 WeakPolarHBondContact CB-SG 3.24Å; C157-C238 PolarHBondContact O-SG 3.38Å; C157-C238 WeakPolarHBondContact SG-CA 3.32Å; C157-C238 WeakPolarHBondContact SG-CB 3.48Å; C157-C238 CovalentContact SG-SG 2.03Å; C157-C238 PolarHBondContact SG-SG 3.01Å |
| 158 | K | 95.8 | Very high | 92.8 | Very high | 53 Ų | 53 | 41.3 Ų | 41.3 | 23% | 0.23 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -86 | -42.6 | 176 | -65.2 | 179.2 | -173.3 | -74.1 | 0 | 112.4 | V154 T155 L156 P161 F162 A220 F223 D224 | V154-K158 HydrophobicContact CG1-CD 4.3Å; V154-K158 PolarHBondContact O-N 3Å; V154-K158 VanDerWaalsContact O-N 3.1Å; T155-K158 PolarHBondContact O-N 3.05Å; L156-K158 PolarHBondContact O-N 2.87Å; K158-P161 WeakPolarHBondContact O-CD 3.49Å; K158-P161 WeakPolarHBondContact O-CG 3.34Å; K158-F162 WeakPolarHBondContact O-CB 3.48Å; K158-F162 PolarHBondContact O-N 3.32Å; K158-A220 WeakPolarHBondContact CD-O 3.5Å; K158-A220 VanDerWaalsContact CG-O 3.29Å; K158-A220 WeakPolarHBondContact CG-O 3.15Å; K158-F223 WeakPolarHBondContact CG-O 3.38Å; K158-F223 PolarHBondContact NZ-O 3.47Å; K158-D224 IonicContact NZ-OD1 2.64Å; K158-D224 IonicContact NZ-OD2 2.7Å; K158-D224 PolarHBondContact NZ-OD2 3.23Å |
| 159 | V | 94.6 | Very high | 93.3 | Very high | 64 Ų | 64 | 35.5 Ų | 35.5 | 39% | 0.388 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -70.7 | -41.4 | -174.5 | 171 | 0 | 0 | 0 | 0 | 112.5 | T155 L156 F162 V163 | T155-V159 HydrophobicContact CG2-CG2 4.32Å; T155-V159 WeakPolarHBondContact O-CB 3.41Å; T155-V159 VanDerWaalsContact O-CG2 3.3Å; T155-V159 WeakPolarHBondContact O-CG2 3.46Å; T155-V159 PolarHBondContact O-N 2.85Å; L156-V159 PolarHBondContact O-N 3.19Å; V159-F162 WeakPolarHBondContact O-CB 3.39Å; V159-F162 PolarHBondContact O-N 3.05Å; V159-V163 HydrophobicContact CG1-CG2 3.97Å; V159-V163 WeakPolarHBondContact O-CG2 3.43Å; V159-V163 PolarHBondContact O-N 3.02Å |
| 160 | V | 94.1 | Very high | 93.8 | Very high | 6 Ų | 6 | 33.2 Ų | 33.2 | 4% | 0.036 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.3 | -56.2 | -177.8 | 171.4 | 0 | 0 | 0 | 0 | 112.7 | I136 I140 W150 L156 F162 V163 Q164 | I136-V160 HydrophobicContact CG2-CG1 4.32Å; I136-V160 HydrophobicContact CG2-CG2 4.11Å; I140-V160 HydrophobicContact CB-CG1 4.39Å; I140-V160 HydrophobicContact CG1-CG1 4.39Å; I140-V160 HydrophobicContact CG1-CG2 4.13Å; I140-V160 HydrophobicContact CG2-CG1 4.1Å; W150-V160 HydrophobicContact CH2-CB 4.47Å; W150-V160 HydrophobicContact CH2-CG2 4.28Å; L156-V160 HydrophobicContact CD2-CG2 4.34Å; L156-V160 WeakPolarHBondContact O-CB 3.49Å; L156-V160 VanDerWaalsContact O-CG2 3.25Å; L156-V160 WeakPolarHBondContact O-CG2 3.36Å; L156-V160 PolarHBondContact O-N 3.36Å; V160-F162 VanDerWaalsContact C-N 3.27Å; V160-F162 PolarHBondContact O-N 2.94Å; V160-V163 PolarHBondContact O-N 3.37Å; V160-Q164 HydrophobicContact CG1-CG 4.39Å; V160-Q164 WeakPolarHBondContact O-CB 3.49Å; V160-Q164 VanDerWaalsContact O-CG 3.29Å; V160-Q164 WeakPolarHBondContact O-CG 3.37Å; V160-Q164 PolarHBondContact O-N 3.43Å |
| 161 | P | 94.8 | Very high | 94 | Very high | 10 Ų | 10 | 32.6 Ų | 32.6 | 7% | 0.065 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.5 | -33.2 | 179.9 | 25.7 | -34.8 | 0 | 0 | 0 | 112 | C157 K158 K165 E219 F223 | C157-P161 WeakPolarHBondContact O-CD 3.29Å; C157-P161 WeakPolarHBondContact O-CG 3.13Å; K158-P161 WeakPolarHBondContact O-CD 3.49Å; K158-P161 WeakPolarHBondContact O-CG 3.34Å; P161-K165 WeakPolarHBondContact O-CG 3.27Å; P161-K165 PolarHBondContact O-N 3.13Å; P161-E219 HydrophobicContact CB-CB 4.35Å; P161-F223 HydrophobicContact CB-CD1 4.33Å; P161-F223 HydrophobicContact CB-CD2 4.22Å; P161-F223 HydrophobicContact CB-CE1 4.26Å; P161-F223 HydrophobicContact CB-CE2 4.19Å; P161-F223 HydrophobicContact CB-CG 4.3Å; P161-F223 HydrophobicContact CB-CZ 4.19Å; P161-F223 HydrophobicContact CG-CB 4.11Å; P161-F223 HydrophobicContact CG-CD1 3.8Å; P161-F223 HydrophobicContact CG-CD2 4.01Å; P161-F223 HydrophobicContact CG-CE1 4.22Å; P161-F223 HydrophobicContact CG-CE2 4.43Å; P161-F223 HydrophobicContact CG-CG 3.68Å |
| 162 | F | 96.6 | Very high | 94.1 | Very high | 48 Ų | 48 | 29.9 Ų | 29.9 | 21% | 0.211 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.1 | -54 | 173 | 165.8 | -100.6 | 0 | 0 | 0 | 112.2 | K158 V159 V160 Q164 K165 A166 V213 A216 V217 A220 | K158-F162 WeakPolarHBondContact O-CB 3.48Å; K158-F162 PolarHBondContact O-N 3.32Å; V159-F162 WeakPolarHBondContact O-CB 3.39Å; V159-F162 PolarHBondContact O-N 3.05Å; V160-F162 VanDerWaalsContact C-N 3.27Å; V160-F162 PolarHBondContact O-N 2.94Å; F162-Q164 VanDerWaalsContact C-N 3.32Å; F162-Q164 PolarHBondContact O-N 3.31Å; F162-K165 PolarHBondContact O-N 3.45Å; F162-A166 WeakPolarHBondContact O-CB 3.25Å; F162-A166 PolarHBondContact O-N 2.75Å; F162-V213 HydrophobicContact CE2-CG1 4.19Å; F162-V213 HydrophobicContact CZ-CG1 3.95Å; F162-A216 HydrophobicContact CD2-CB 3.8Å; F162-A216 HydrophobicContact CE2-CB 4Å; F162-V217 HydrophobicContact CE2-CG2 4.43Å; F162-A220 HydrophobicContact CB-CB 4.03Å; F162-A220 HydrophobicContact CD2-CB 4.31Å; F162-A220 HydrophobicContact CG-CB 4.34Å |
| 163 | V | 95.1 | Very high | 94.2 | Very high | 25 Ų | 25 | 28.2 Ų | 28.2 | 15% | 0.152 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.6 | -38.3 | -179.3 | 177.1 | 0 | 0 | 0 | 0 | 111 | L132 I136 V159 V160 A166 S167 | L132-V163 HydrophobicContact CB-CG1 4.39Å; I136-V163 HydrophobicContact CD1-CB 4.23Å; I136-V163 HydrophobicContact CD1-CG1 3.53Å; I136-V163 HydrophobicContact CD1-CG2 4.45Å; V159-V163 HydrophobicContact CG1-CG2 3.97Å; V159-V163 WeakPolarHBondContact O-CG2 3.43Å; V159-V163 PolarHBondContact O-N 3.02Å; V160-V163 PolarHBondContact O-N 3.37Å; V163-A166 PolarHBondContact O-N 3.24Å; V163-S167 VanDerWaalsContact O-CB 3.29Å; V163-S167 WeakPolarHBondContact O-CB 3.36Å; V163-S167 PolarHBondContact O-N 3.15Å; V163-S167 PolarHBondContact O-OG 3.32Å |
| 164 | Q | 93.7 | Very high | 94.2 | Very high | 37 Ų | 37 | 26.9 Ų | 26.9 | 17% | 0.173 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.7 | -55.6 | 173 | -76 | 177 | -10.4 | 0 | 0 | 110.2 | V160 F162 A166 S167 V168 | V160-Q164 HydrophobicContact CG1-CG 4.39Å; V160-Q164 WeakPolarHBondContact O-CB 3.49Å; V160-Q164 VanDerWaalsContact O-CG 3.29Å; V160-Q164 WeakPolarHBondContact O-CG 3.37Å; V160-Q164 PolarHBondContact O-N 3.43Å; F162-Q164 VanDerWaalsContact C-N 3.32Å; F162-Q164 PolarHBondContact O-N 3.31Å; Q164-A166 PolarHBondContact O-N 3.47Å; Q164-S167 WeakPolarHBondContact O-CB 3.44Å; Q164-S167 PolarHBondContact O-N 3.02Å; Q164-V168 VanDerWaalsContact O-CG2 3.23Å; Q164-V168 WeakPolarHBondContact O-CG2 3.27Å; Q164-V168 PolarHBondContact O-N 3.48Å |
| 165 | K | 94.7 | Very high | 93.8 | Very high | 21 Ų | 21 | 24.6 Ų | 24.6 | 9% | 0.091 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.3 | -35.3 | -178.1 | -67.4 | -44.4 | -173.7 | 176.7 | 0 | 114.1 | P161 F162 S167 V168 G169 A216 E219 L260 | P161-K165 WeakPolarHBondContact O-CG 3.27Å; P161-K165 PolarHBondContact O-N 3.13Å; F162-K165 PolarHBondContact O-N 3.45Å; K165-S167 VanDerWaalsContact C-N 3.33Å; K165-V168 PolarHBondContact O-N 2.76Å; K165-G169 PolarHBondContact O-N 3.27Å; K165-A216 HydrophobicContact CB-CB 3.91Å; K165-E219 HydrophobicContact CB-CG 4.1Å; K165-E219 WeakPolarHBondContact CE-OE1 3.38Å; K165-E219 HydrophobicContact CG-CG 3.59Å; K165-E219 WeakPolarHBondContact CG-OE1 3.33Å; K165-L260 HydrophobicContact CD-CD2 4.19Å |
| 166 | A | 96.6 | Very high | 93.6 | Very high | 8 Ų | 8 | 20 Ų | 20 | 7% | 0.066 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F162 V163 Q164 G169 I170 S212 V213 A216 | F162-A166 WeakPolarHBondContact O-CB 3.25Å; F162-A166 PolarHBondContact O-N 2.75Å; V163-A166 PolarHBondContact O-N 3.24Å; Q164-A166 PolarHBondContact O-N 3.47Å; A166-G169 WeakPolarHBondContact O-CA 3.48Å; A166-G169 PolarHBondContact O-N 3Å; A166-G169 VanDerWaalsContact O-N 3.13Å; A166-I170 WeakPolarHBondContact O-CG1 3.39Å; A166-I170 PolarHBondContact O-N 2.87Å; A166-S212 WeakPolarHBondContact O-CB 3.19Å; A166-V213 HydrophobicContact CB-CG2 4.5Å; A166-A216 HydrophobicContact CB-CB 3.86Å |
| 167 | S | 95.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.007 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 177.6 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | G129 L132 V163 Q164 K165 G169 I170 T171 | G129-S167 WeakPolarHBondContact O-CB 3.26Å; L132-S167 WeakPolarHBondContact CB-OG 3.29Å; V163-S167 VanDerWaalsContact O-CB 3.29Å; V163-S167 WeakPolarHBondContact O-CB 3.36Å; V163-S167 PolarHBondContact O-N 3.15Å; V163-S167 PolarHBondContact O-OG 3.32Å; Q164-S167 WeakPolarHBondContact O-CB 3.44Å; Q164-S167 PolarHBondContact O-N 3.02Å; K165-S167 VanDerWaalsContact C-N 3.33Å; S167-G169 VanDerWaalsContact C-N 3.26Å; S167-G169 PolarHBondContact O-N 2.82Å; S167-I170 PolarHBondContact O-N 2.98Å; S167-T171 PolarHBondContact O-N 3.19Å; S167-T171 PolarHBondContact O-OG1 2.93Å |
| 168 | V | 93.1 | Very high | 92.9 | Very high | 8 Ų | 8 | 17.8 Ų | 17.8 | 5% | 0.048 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.5 | -42.3 | 172.4 | -170.6 | 0 | 0 | 0 | 0 | 110.8 | Q164 K165 I170 T171 V172 Y264 W319 | Q164-V168 VanDerWaalsContact O-CG2 3.23Å; Q164-V168 WeakPolarHBondContact O-CG2 3.27Å; Q164-V168 PolarHBondContact O-N 3.48Å; K165-V168 PolarHBondContact O-N 2.76Å; V168-I170 VanDerWaalsContact C-N 3.34Å; V168-I170 PolarHBondContact O-N 3.03Å; V168-T171 WeakPolarHBondContact O-CB 3.29Å; V168-T171 PolarHBondContact O-N 3.32Å; V168-V172 HydrophobicContact CG1-CG1 4.18Å; V168-V172 WeakPolarHBondContact O-CG1 3.48Å; V168-V172 WeakPolarHBondContact O-CG2 3.47Å; V168-V172 PolarHBondContact O-N 3.42Å; V168-Y264 HydrophobicContact CB-CD1 4.01Å; V168-Y264 HydrophobicContact CB-CE1 4.17Å; V168-Y264 HydrophobicContact CG1-CD1 3.61Å; V168-Y264 HydrophobicContact CG1-CE1 4.28Å; V168-Y264 HydrophobicContact CG1-CG 4.37Å; V168-W319 HydrophobicContact CB-CH2 3.95Å; V168-W319 HydrophobicContact CB-CZ3 4.48Å; V168-W319 HydrophobicContact CG1-CE3 4.37Å; V168-W319 HydrophobicContact CG1-CH2 3.29Å; V168-W319 HydrophobicContact CG1-CZ2 3.78Å; V168-W319 HydrophobicContact CG1-CZ3 3.59Å; V168-W319 HydrophobicContact CG2-CH2 3.36Å; V168-W319 HydrophobicContact CG2-CZ2 4.27Å; V168-W319 HydrophobicContact CG2-CZ3 3.97Å |
| 169 | G | 95.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.9 | -47.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | K165 A166 S167 T171 V172 L173 S212 Y264 | K165-G169 PolarHBondContact O-N 3.27Å; A166-G169 WeakPolarHBondContact O-CA 3.48Å; A166-G169 PolarHBondContact O-N 3Å; A166-G169 VanDerWaalsContact O-N 3.13Å; S167-G169 VanDerWaalsContact C-N 3.26Å; S167-G169 PolarHBondContact O-N 2.82Å; G169-T171 VanDerWaalsContact C-N 3.28Å; G169-T171 PolarHBondContact O-N 3.17Å; G169-V172 WeakPolarHBondContact O-CG2 3.33Å; G169-V172 PolarHBondContact O-N 3.37Å; G169-L173 WeakPolarHBondContact O-CB 3.24Å; G169-L173 VanDerWaalsContact O-CG 3.32Å; G169-L173 WeakPolarHBondContact O-CG 3.36Å; G169-L173 PolarHBondContact O-N 2.83Å; G169-S212 PolarHBondContact O-OG 3.24Å; G169-Y264 VanDerWaalsContact CA-CE1 3.46Å |
| 170 | I | 94.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.01 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.6 | -44.7 | 178 | -67.3 | 162.4 | 0 | 0 | 0 | 109.4 | A166 S167 V168 S174 I208 W209 S212 | A166-I170 WeakPolarHBondContact O-CG1 3.39Å; A166-I170 PolarHBondContact O-N 2.87Å; S167-I170 PolarHBondContact O-N 2.98Å; V168-I170 VanDerWaalsContact C-N 3.34Å; V168-I170 PolarHBondContact O-N 3.03Å; I170-S174 WeakPolarHBondContact O-CB 3.38Å; I170-S174 PolarHBondContact O-N 2.76Å; I170-S174 PolarHBondContact O-OG 3.27Å; I170-I208 HydrophobicContact CG2-CG2 4.47Å; I170-W209 HydrophobicContact CD1-CD2 3.74Å; I170-W209 HydrophobicContact CD1-CE3 3.7Å; I170-W209 HydrophobicContact CD1-CG 4.44Å; I170-W209 HydrophobicContact CD1-CH2 3.82Å; I170-W209 HydrophobicContact CD1-CZ2 3.84Å; I170-W209 HydrophobicContact CD1-CZ3 3.75Å; I170-W209 HydrophobicContact CG1-CD2 4.26Å; I170-W209 HydrophobicContact CG1-CG 4.47Å; I170-S212 WeakPolarHBondContact CA-OG 3.46Å; I170-S212 PolarHBondContact N-OG 3.27Å |
| 171 | T | 91.5 | Very high | 91.2 | Very high | 3 Ų | 3 | 14.5 Ų | 14.5 | 2% | 0.018 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.9 | -52.6 | 179.6 | -66.4 | 0 | 0 | 0 | 0 | 112.2 | L126 D130 S167 V168 G169 S174 L175 | L126-T171 HydrophobicContact CD1-CG2 3.71Å; D130-T171 PolarHBondContact OD1-OG1 3.2Å; S167-T171 PolarHBondContact O-N 3.19Å; S167-T171 PolarHBondContact O-OG1 2.93Å; V168-T171 WeakPolarHBondContact O-CB 3.29Å; V168-T171 PolarHBondContact O-N 3.32Å; G169-T171 VanDerWaalsContact C-N 3.28Å; G169-T171 PolarHBondContact O-N 3.17Å; T171-S174 PolarHBondContact O-N 3.37Å; T171-L175 HydrophobicContact CG2-CD1 4.34Å; T171-L175 WeakPolarHBondContact O-CG 3.29Å; T171-L175 PolarHBondContact O-N 2.92Å |
| 172 | V | 92.1 | Very high | 90.3 | Very high | 5 Ų | 5 | 17.1 Ų | 17.1 | 3% | 0.03 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -67.5 | -42.5 | -175.6 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | V168 G169 L175 C176 Y264 P268 F315 | V168-V172 HydrophobicContact CG1-CG1 4.18Å; V168-V172 WeakPolarHBondContact O-CG1 3.48Å; V168-V172 WeakPolarHBondContact O-CG2 3.47Å; V168-V172 PolarHBondContact O-N 3.42Å; G169-V172 WeakPolarHBondContact O-CG2 3.33Å; G169-V172 PolarHBondContact O-N 3.37Å; V172-L175 PolarHBondContact O-N 3.48Å; V172-C176 PolarHBondContact O-N 2.95Å; V172-C176 VanDerWaalsContact O-N 3.08Å; V172-C176 PolarHBondContact O-SG 2.88Å; V172-C176 VanDerWaalsContact O-SG 3.33Å; V172-Y264 WeakPolarHBondContact CG1-O 3.22Å; V172-Y264 HydrophobicContact CG2-CD1 3.9Å; V172-P268 HydrophobicContact CB-CB 4.22Å; V172-P268 HydrophobicContact CB-CG 4.06Å; V172-P268 HydrophobicContact CG1-CG 4.22Å; V172-F315 HydrophobicContact CG1-CE2 3.67Å; V172-F315 HydrophobicContact CG1-CZ 3.66Å |
| 173 | L | 93.6 | Very high | 89.5 | Confident | 31 Ų | 31 | 17.7 Ų | 17.7 | 16% | 0.162 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -69.5 | -34.7 | 178.4 | -66.8 | 176.5 | 0 | 0 | 0 | 111.6 | G169 C176 A177 I208 L211 | G169-L173 WeakPolarHBondContact O-CB 3.24Å; G169-L173 VanDerWaalsContact O-CG 3.32Å; G169-L173 WeakPolarHBondContact O-CG 3.36Å; G169-L173 PolarHBondContact O-N 2.83Å; L173-C176 WeakPolarHBondContact O-CB 3.48Å; L173-C176 PolarHBondContact O-N 3.2Å; L173-A177 WeakPolarHBondContact O-CB 3.43Å; L173-A177 PolarHBondContact O-N 3.37Å; L173-I208 HydrophobicContact CB-CB 4.46Å; L173-I208 HydrophobicContact CB-CG1 4.11Å; L173-I208 HydrophobicContact CB-CG2 3.87Å; L173-I208 HydrophobicContact CD1-CG2 4.47Å; L173-L211 HydrophobicContact CD1-CB 4.13Å; L173-L211 HydrophobicContact CD1-CD2 3.83Å; L173-L211 HydrophobicContact CD1-CG 4.02Å; L173-L211 HydrophobicContact CD2-CD2 4.37Å |
| 174 | S | 90.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.7 | -36.7 | 173.2 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | I170 T171 A177 L178 | I170-S174 WeakPolarHBondContact O-CB 3.38Å; I170-S174 PolarHBondContact O-N 2.76Å; I170-S174 PolarHBondContact O-OG 3.27Å; T171-S174 PolarHBondContact O-N 3.37Å; S174-A177 PolarHBondContact O-N 3.44Å; S174-L178 WeakPolarHBondContact O-CB 3.39Å; S174-L178 VanDerWaalsContact O-CG 3.27Å; S174-L178 WeakPolarHBondContact O-CG 3.5Å; S174-L178 PolarHBondContact O-N 3.07Å |
| 175 | L | 85.9 | Confident | 87.7 | Confident | 13 Ų | 13 | 24.7 Ų | 24.7 | 7% | 0.068 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.9 | -40.4 | 174.5 | -72.3 | 173.4 | 0 | 0 | 0 | 112.2 | T171 V172 L178 S179 F315 | T171-L175 HydrophobicContact CG2-CD1 4.34Å; T171-L175 WeakPolarHBondContact O-CG 3.29Å; T171-L175 PolarHBondContact O-N 2.92Å; V172-L175 PolarHBondContact O-N 3.48Å; L175-L178 PolarHBondContact O-N 2.86Å; L175-S179 PolarHBondContact O-N 3.5Å; L175-S179 PolarHBondContact O-OG 3.09Å; L175-F315 HydrophobicContact CD1-CB 4.34Å; L175-F315 HydrophobicContact CD1-CD2 3.67Å; L175-F315 HydrophobicContact CD1-CE2 4.26Å; L175-F315 HydrophobicContact CD1-CG 4.05Å |
| 176 | C | 90.4 | Very high | 86.5 | Confident | 13 Ų | 13 | 24 Ų | 24 | 9% | 0.088 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.2 | -50.9 | 171.9 | -66.3 | 0 | 0 | 0 | 0 | 111.2 | V172 L173 L178 S179 I180 P268 C271 | V172-C176 PolarHBondContact O-N 2.95Å; V172-C176 VanDerWaalsContact O-N 3.08Å; V172-C176 PolarHBondContact O-SG 2.88Å; V172-C176 VanDerWaalsContact O-SG 3.33Å; L173-C176 WeakPolarHBondContact O-CB 3.48Å; L173-C176 PolarHBondContact O-N 3.2Å; C176-L178 VanDerWaalsContact C-N 3.32Å; C176-L178 PolarHBondContact O-N 3.12Å; C176-S179 WeakPolarHBondContact O-CB 3.42Å; C176-S179 PolarHBondContact O-N 3.26Å; C176-S179 VanDerWaalsContact O-N 3.09Å; C176-I180 WeakPolarHBondContact O-CG1 3.37Å; C176-I180 PolarHBondContact O-N 2.88Å; C176-P268 VanDerWaalsContact SG-CA 3.56Å; C176-C271 HydrophobicContact CB-CB 4.48Å |
| 177 | A | 89.2 | Confident | 85.3 | Confident | 6 Ų | 6 | 26.2 Ų | 26.2 | 5% | 0.05 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.6 | -41.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L122 L173 S174 S179 I180 D181 E204 I208 | L122-A177 HydrophobicContact CD1-CB 4.35Å; L122-A177 HydrophobicContact CD2-CB 3.65Å; L173-A177 WeakPolarHBondContact O-CB 3.43Å; L173-A177 PolarHBondContact O-N 3.37Å; S174-A177 PolarHBondContact O-N 3.44Å; A177-S179 VanDerWaalsContact C-N 3.33Å; A177-S179 PolarHBondContact O-N 3.03Å; A177-I180 PolarHBondContact O-N 3.4Å; A177-D181 WeakPolarHBondContact O-CB 3.49Å; A177-D181 PolarHBondContact O-N 3.32Å; A177-E204 WeakPolarHBondContact CB-OE1 3.44Å; A177-I208 HydrophobicContact CB-CD1 3.9Å |
| 178 | L | 83.3 | Confident | 83.9 | Confident | 18 Ų | 18 | 28.7 Ų | 28.7 | 9% | 0.094 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.1 | -43.2 | 173.8 | -78.7 | 168.5 | 0 | 0 | 0 | 111.3 | L122 I123 S174 L175 C176 D181 R182 | L122-L178 HydrophobicContact CB-CD2 4.42Å; L122-L178 HydrophobicContact CD2-CB 4.37Å; L122-L178 HydrophobicContact CD2-CD2 3.73Å; L122-L178 HydrophobicContact CD2-CG 3.59Å; L122-L178 HydrophobicContact CG-CD2 4.16Å; L122-L178 HydrophobicContact CG-CG 4.05Å; I123-L178 HydrophobicContact CG1-CD1 4.41Å; I123-L178 HydrophobicContact CG1-CD2 4.16Å; S174-L178 WeakPolarHBondContact O-CB 3.39Å; S174-L178 VanDerWaalsContact O-CG 3.27Å; S174-L178 WeakPolarHBondContact O-CG 3.5Å; S174-L178 PolarHBondContact O-N 3.07Å; L175-L178 PolarHBondContact O-N 2.86Å; C176-L178 VanDerWaalsContact C-N 3.32Å; C176-L178 PolarHBondContact O-N 3.12Å; L178-D181 PolarHBondContact O-N 3.09Å; L178-R182 VanDerWaalsContact O-CG 3.24Å; L178-R182 WeakPolarHBondContact O-CG 3.44Å; L178-R182 PolarHBondContact O-N 3.27Å |
| 179 | S | 82.9 | Confident | 81.8 | Confident | 7 Ų | 7 | 38.9 Ų | 38.9 | 5% | 0.049 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.5 | -41.1 | 178.7 | -58 | 0 | 0 | 0 | 0 | 112.1 | L175 C176 A177 R182 Y183 T272 | L175-S179 PolarHBondContact O-N 3.5Å; L175-S179 PolarHBondContact O-OG 3.09Å; C176-S179 WeakPolarHBondContact O-CB 3.42Å; C176-S179 PolarHBondContact O-N 3.26Å; C176-S179 VanDerWaalsContact O-N 3.09Å; A177-S179 VanDerWaalsContact C-N 3.33Å; A177-S179 PolarHBondContact O-N 3.03Å; S179-R182 PolarHBondContact O-N 3.31Å; S179-Y183 PolarHBondContact O-N 2.95Å; S179-T272 WeakPolarHBondContact OG-CG2 3.49Å |
| 180 | I | 84.9 | Confident | 79.5 | Confident | 39 Ų | 39 | 43.4 Ų | 43.4 | 20% | 0.2 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.4 | -47.2 | 175.1 | -66.5 | 165.3 | 0 | 0 | 0 | 111 | C176 A177 R182 Y183 R184 F275 | C176-I180 WeakPolarHBondContact O-CG1 3.37Å; C176-I180 PolarHBondContact O-N 2.88Å; A177-I180 PolarHBondContact O-N 3.4Å; I180-R182 VanDerWaalsContact C-N 3.28Å; I180-R182 PolarHBondContact O-N 3.5Å; I180-Y183 PolarHBondContact O-N 3.14Å; I180-R184 HydrophobicContact CG2-CG 4.33Å; I180-R184 WeakPolarHBondContact O-CB 3.36Å; I180-R184 WeakPolarHBondContact O-CG 3.29Å; I180-R184 PolarHBondContact O-N 2.73Å; I180-F275 HydrophobicContact CD1-CE2 3.92Å; I180-F275 HydrophobicContact CD1-CZ 4.25Å; I180-F275 HydrophobicContact CG1-CD1 4.41Å; I180-F275 HydrophobicContact CG1-CD2 3.62Å; I180-F275 HydrophobicContact CG1-CE1 4.14Å; I180-F275 HydrophobicContact CG1-CE2 3.32Å; I180-F275 HydrophobicContact CG1-CG 4.19Å; I180-F275 HydrophobicContact CG1-CZ 3.61Å |
| 181 | D | 80.1 | Confident | 77.5 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.1 | -41.9 | 178 | 174.8 | 82.4 | 0 | 0 | 0 | 111.4 | P119 A177 L178 R184 A185 R191 | P119-D181 VanDerWaalsContact CG-OD2 3.27Å; P119-D181 WeakPolarHBondContact CG-OD2 3.32Å; A177-D181 WeakPolarHBondContact O-CB 3.49Å; A177-D181 PolarHBondContact O-N 3.32Å; L178-D181 PolarHBondContact O-N 3.09Å; D181-R184 PolarHBondContact O-N 3.24Å; D181-A185 WeakPolarHBondContact O-CB 3.43Å; D181-A185 PolarHBondContact O-N 3.37Å; D181-R191 IonicContact OD1-CZ 2.94Å; D181-R191 IonicContact OD1-NH1 3.21Å; D181-R191 PolarHBondContact OD1-NH1 3.33Å; D181-R191 IonicContact OD1-NH2 3.81Å |
| 182 | R | 77.4 | Confident | 75.4 | Confident | 64 Ų | 64 | 55.5 Ų | 55.5 | 24% | 0.242 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.6 | -43.8 | 177.9 | -63.4 | -60 | 162.7 | -160.5 | -3.5 | 112.6 | P119 L178 S179 I180 A185 V186 M279 V308 | P119-R182 VanDerWaalsContact CB-NH2 3.28Å; L178-R182 VanDerWaalsContact O-CG 3.24Å; L178-R182 WeakPolarHBondContact O-CG 3.44Å; L178-R182 PolarHBondContact O-N 3.27Å; S179-R182 PolarHBondContact O-N 3.31Å; I180-R182 VanDerWaalsContact C-N 3.28Å; I180-R182 PolarHBondContact O-N 3.5Å; R182-A185 PolarHBondContact O-N 2.96Å; R182-V186 PolarHBondContact O-N 2.91Å; R182-M279 HydrophobicContact CB-SD 4.32Å; R182-V308 HydrophobicContact CG-CG2 4.02Å |
| 183 | Y | 78.4 | Confident | 73.2 | Confident | 60 Ų | 60 | 63.4 Ų | 63.4 | 24% | 0.235 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.2 | -49.6 | 173.4 | 170.5 | -110.5 | 0 | 0 | 0 | 111.3 | S179 I180 A185 V186 V187 F275 L278 M279 | S179-Y183 PolarHBondContact O-N 2.95Å; I180-Y183 PolarHBondContact O-N 3.14Å; Y183-A185 VanDerWaalsContact C-N 3.29Å; Y183-A185 PolarHBondContact O-N 2.91Å; Y183-V186 PolarHBondContact O-N 3.31Å; Y183-V187 HydrophobicContact CD2-CG2 3.9Å; Y183-V187 HydrophobicContact CE1-CG2 4.13Å; Y183-V187 HydrophobicContact CE2-CG2 3.35Å; Y183-V187 HydrophobicContact CG-CG2 4.48Å; Y183-V187 PolarHBondContact O-N 3.29Å; Y183-V187 VanDerWaalsContact O-N 3.07Å; Y183-F275 AromaticContact CD1-CD1 3.6Å; Y183-F275 HydrophobicContact CD1-CD1 3.6Å; Y183-F275 AromaticContact CD1-CE1 3.84Å; Y183-F275 HydrophobicContact CD1-CE1 3.84Å; Y183-F275 HydrophobicContact CE1-CD1 4.31Å; Y183-F275 HydrophobicContact CE1-CE1 4.29Å; Y183-F275 AromaticContact CG-CD1 3.74Å; Y183-F275 HydrophobicContact CG-CD1 3.74Å; Y183-F275 HydrophobicContact CG-CE1 4.44Å; Y183-L278 HydrophobicContact CD2-CB 3.84Å; Y183-L278 HydrophobicContact CE2-CB 3.45Å; Y183-L278 VanDerWaalsContact CE2-CB 3.45Å; Y183-L278 HydrophobicContact CE2-CD1 4.4Å; Y183-M279 HydrophobicContact CD2-CB 4.23Å |
| 184 | R | 78.2 | Confident | 71.1 | Confident | 165 Ų | 165 | 63.9 Ų | 63.9 | 62% | 0.623 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -58.8 | -39.8 | 178.2 | -72.3 | 178.1 | -178.9 | -154.8 | 1.3 | 112.3 | I180 D181 V186 V187 S188 | I180-R184 HydrophobicContact CG2-CG 4.33Å; I180-R184 WeakPolarHBondContact O-CB 3.36Å; I180-R184 WeakPolarHBondContact O-CG 3.29Å; I180-R184 PolarHBondContact O-N 2.73Å; D181-R184 PolarHBondContact O-N 3.24Å; R184-V186 PolarHBondContact O-N 3.39Å; R184-V187 PolarHBondContact O-N 2.85Å; R184-S188 VanDerWaalsContact O-CB 3.29Å; R184-S188 WeakPolarHBondContact O-CB 3.27Å; R184-S188 PolarHBondContact O-N 3.43Å |
| 185 | A | 73.3 | Confident | 68.9 | Low | 44 Ų | 44 | 68.1 Ų | 68.1 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.8 | -23.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D181 R182 Y183 | D181-A185 WeakPolarHBondContact O-CB 3.43Å; D181-A185 PolarHBondContact O-N 3.37Å; R182-A185 PolarHBondContact O-N 2.96Å; Y183-A185 VanDerWaalsContact C-N 3.29Å; Y183-A185 PolarHBondContact O-N 2.91Å |
| 186 | V | 69.1 | Low | 67.3 | Low | 6 Ų | 6 | 69.4 Ų | 69.4 | 4% | 0.036 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -84.3 | -42.3 | 175.8 | 169.6 | 0 | 0 | 0 | 0 | 111.9 | R182 Y183 R184 M279 E282 M283 R301 | R182-V186 PolarHBondContact O-N 2.91Å; Y183-V186 PolarHBondContact O-N 3.31Å; R184-V186 PolarHBondContact O-N 3.39Å; V186-M279 HydrophobicContact CB-CG 4.24Å; V186-M279 HydrophobicContact CG1-CG 4.41Å; V186-M279 HydrophobicContact CG2-CE 3.62Å; V186-M279 HydrophobicContact CG2-CG 3.82Å; V186-M279 HydrophobicContact CG2-SD 4.28Å; V186-E282 HydrophobicContact CG1-CB 4.41Å; V186-E282 HydrophobicContact CG1-CG 4.27Å; V186-M283 HydrophobicContact CG1-CG 3.77Å; V186-R301 PolarHBondContact O-NH1 2.93Å |
| 187 | V | 71.3 | Confident | 66 | Low | 56 Ų | 56 | 72.1 Ų | 72.1 | 34% | 0.339 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -77.4 | -50.3 | -177 | 178.2 | 0 | 0 | 0 | 0 | 111.7 | Y183 R184 W189 E282 | Y183-V187 HydrophobicContact CD2-CG2 3.9Å; Y183-V187 HydrophobicContact CE1-CG2 4.13Å; Y183-V187 HydrophobicContact CE2-CG2 3.35Å; Y183-V187 HydrophobicContact CG-CG2 4.48Å; Y183-V187 PolarHBondContact O-N 3.29Å; Y183-V187 VanDerWaalsContact O-N 3.07Å; R184-V187 PolarHBondContact O-N 2.85Å; V187-W189 PolarHBondContact O-N 3.07Å; V187-E282 HydrophobicContact CG2-CG 4.13Å |
| 188 | S | 65.9 | Low | 65.1 | Low | 52 Ų | 52 | 74.1 Ų | 74.1 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | trans | -82 | 106.2 | -179 | -177.1 | 0 | 0 | 0 | 0 | 110 | R184 S190 | R184-S188 VanDerWaalsContact O-CB 3.29Å; R184-S188 WeakPolarHBondContact O-CB 3.27Å; R184-S188 PolarHBondContact O-N 3.43Å; S188-S190 VanDerWaalsContact C-N 3.27Å | ||
| 189 | W | 50.5 | Low | 64.8 | Low | 222 Ų | 222 | 82 Ų | 82 | 84% | 0.841 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -13.3 | 175.6 | -151.5 | 56.2 | 0 | 0 | 0 | 112.5 | V187 | V187-W189 PolarHBondContact O-N 3.07Š|
| 190 | S | 45.7 | Very low | 64.7 | Low | 97 Ų | 97 | 91.6 Ų | 91.6 | 68% | 0.678 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | 15.8 | -172.7 | 69.2 | 0 | 0 | 0 | 0 | 115.2 | S188 I192 | S188-S190 VanDerWaalsContact C-N 3.27Å; S190-I192 PolarHBondContact O-N 3.01Å |
| 191 | R | 53.3 | Low | 64.6 | Low | 105 Ų | 105 | 90.2 Ų | 90.2 | 40% | 0.396 | 45% | 0.446 | S | S | . | . | trans | -67.2 | 102.8 | 172.4 | -168.4 | 176.1 | 174.5 | -178.5 | 3.2 | 108.2 | D181 K193 | D181-R191 IonicContact OD1-CZ 2.94Å; D181-R191 IonicContact OD1-NH1 3.21Å; D181-R191 PolarHBondContact OD1-NH1 3.33Å; D181-R191 IonicContact OD1-NH2 3.81Å; R191-K193 PolarHBondContact O-N 3.42Å | ||
| 192 | I | 46.2 | Very low | 64.8 | Low | 153 Ų | 153 | 92.5 Ų | 92.5 | 79% | 0.785 | 47% | 0.466 | S | S | * | . | trans | -44.3 | 103.6 | 167.5 | -58.9 | 169.5 | 0 | 0 | 0 | 106.3 | S190 G194 | S190-I192 PolarHBondContact O-N 3.01Å; I192-G194 PolarHBondContact O-N 3.48Å | ||
| 193 | K | 46.1 | Very low | 65.4 | Low | 171 Ų | 171 | 93.5 Ų | 93.5 | 74% | 0.743 | 48% | 0.475 | S | S | * | . | trans | -72.8 | 73.7 | 173.9 | -80.5 | 178.5 | 176 | 173.5 | 0 | 106.4 | R191 | R191-K193 PolarHBondContact O-N 3.42Š| ||
| 194 | G | 49.2 | Very low | 65.9 | Low | 42 Ų | 42 | 93.3 Ų | 93.3 | 43% | 0.433 | 48% | 0.477 | S | S | . | . | trans | -88.1 | 136.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110.2 | I192 G196 E408 | I192-G194 PolarHBondContact O-N 3.48Å; G194-G196 PolarHBondContact O-N 3.44Å; G194-E408 VanDerWaalsContact CA-OE1 3.28Å; G194-E408 WeakPolarHBondContact CA-OE1 3.28Å | ||
| 195 | I | 45.1 | Very low | 66.6 | Low | 88 Ų | 88 | 86.8 Ų | 86.8 | 45% | 0.451 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -68.8 | 83.8 | 164.9 | -59.3 | 167.2 | 0 | 0 | 0 | 108.6 | E408 | I195-E408 WeakPolarHBondContact CD1-OE2 3.28Å; I195-E408 PolarHBondContact N-OE1 3.03Å |
| 196 | G | 53.4 | Low | 67.6 | Low | 40 Ų | 40 | 86.9 Ų | 86.9 | 41% | 0.412 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -168.3 | 153.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G194 P198 | G194-G196 PolarHBondContact O-N 3.44Å; G196-P198 VanDerWaalsContact O-CD 3.25Å; G196-P198 WeakPolarHBondContact O-CD 3.29Å |
| 197 | V | 62.3 | Low | 68.9 | Low | 71 Ų | 71 | 91.7 Ų | 91.7 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | trans | -82 | 111.1 | 169.1 | -178.4 | 0 | 0 | 0 | 0 | 106.8 | I121 K199 M201 | I121-V197 HydrophobicContact CG1-CG2 4Å; V197-K199 PolarHBondContact O-N 3.4Å; V197-M201 HydrophobicContact CG1-CB 4.15Å | ||
| 198 | P | 70.1 | Confident | 70.1 | Confident | 48 Ų | 48 | 89.7 Ų | 89.7 | 31% | 0.312 | 47% | 0.467 | S | S | . | . | trans | -58.9 | 139.5 | 174.3 | -18.8 | 30.9 | 0 | 0 | 0 | 109.5 | G196 W200 M201 | G196-P198 VanDerWaalsContact O-CD 3.25Å; G196-P198 WeakPolarHBondContact O-CD 3.29Å; P198-W200 HydrophobicContact CB-CB 4.49Å; P198-W200 PolarHBondContact O-N 2.98Å; P198-M201 HydrophobicContact CB-CG 4.17Å; P198-M201 HydrophobicContact CG-CG 3.87Å; P198-M201 WeakPolarHBondContact O-CB 3.33Å; P198-M201 PolarHBondContact O-N 3.22Å | ||
| 199 | K | 78 | Confident | 71.6 | Confident | 184 Ų | 184 | 90.6 Ų | 90.6 | 80% | 0.8 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -49.2 | -36.9 | 173.8 | -67.8 | -177 | 178.9 | 178.5 | 0 | 111.6 | V197 M201 A202 I203 | V197-K199 PolarHBondContact O-N 3.4Å; K199-M201 PolarHBondContact O-N 3.13Å; K199-A202 PolarHBondContact O-N 3.21Å; K199-I203 WeakPolarHBondContact O-CG1 3.5Å; K199-I203 PolarHBondContact O-N 3.38Å; K199-I203 VanDerWaalsContact O-N 3.13Å |
| 200 | W | 80.1 | Confident | 73.8 | Confident | 208 Ų | 208 | 84.8 Ų | 84.8 | 79% | 0.788 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -56.9 | -38.8 | 174.4 | -64.8 | 113.5 | 0 | 0 | 0 | 114.7 | P198 I203 E204 | P198-W200 HydrophobicContact CB-CB 4.49Å; P198-W200 PolarHBondContact O-N 2.98Å; W200-I203 HydrophobicContact CE3-CD1 4.28Å; W200-I203 PolarHBondContact O-N 2.98Å; W200-E204 WeakPolarHBondContact O-CB 3.46Å; W200-E204 PolarHBondContact O-N 3.26Å |
| 201 | M | 82.3 | Confident | 76.3 | Confident | 10 Ų | 10 | 84 Ų | 84 | 5% | 0.049 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -69.5 | -35.5 | 178.3 | -65.8 | -61.9 | -43.4 | 0 | 0 | 111.9 | L122 V197 P198 K199 E204 I205 | L122-M201 HydrophobicContact CB-CE 4.5Å; V197-M201 HydrophobicContact CG1-CB 4.15Å; P198-M201 HydrophobicContact CB-CG 4.17Å; P198-M201 HydrophobicContact CG-CG 3.87Å; P198-M201 WeakPolarHBondContact O-CB 3.33Å; P198-M201 PolarHBondContact O-N 3.22Å; K199-M201 PolarHBondContact O-N 3.13Å; M201-E204 VanDerWaalsContact CE-OE2 3.29Å; M201-E204 WeakPolarHBondContact CE-OE2 3.35Å; M201-E204 PolarHBondContact O-N 2.92Å; M201-I205 WeakPolarHBondContact O-CG1 3.43Å; M201-I205 PolarHBondContact O-N 3.41Å |
| 202 | A | 85 | Confident | 78.4 | Confident | 56 Ų | 56 | 79 Ų | 79 | 46% | 0.463 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67 | -40.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | K199 I205 A206 | K199-A202 PolarHBondContact O-N 3.21Å; A202-I205 PolarHBondContact O-N 3.45Å; A202-A206 WeakPolarHBondContact O-CB 3.22Å; A202-A206 PolarHBondContact O-N 3.31Å |
| 203 | I | 89.4 | Confident | 80.8 | Confident | 85 Ų | 85 | 74.3 Ų | 74.3 | 44% | 0.436 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 173.5 | -64.8 | 167.2 | 0 | 0 | 0 | 110.3 | K199 W200 I205 A206 L207 | K199-I203 WeakPolarHBondContact O-CG1 3.5Å; K199-I203 PolarHBondContact O-N 3.38Å; K199-I203 VanDerWaalsContact O-N 3.13Å; W200-I203 HydrophobicContact CE3-CD1 4.28Å; W200-I203 PolarHBondContact O-N 2.98Å; I203-I205 PolarHBondContact O-N 3.47Å; I203-A206 PolarHBondContact O-N 2.9Å; I203-L207 HydrophobicContact CG2-CD1 3.97Å; I203-L207 HydrophobicContact CG2-CG 4.32Å; I203-L207 VanDerWaalsContact O-CG 3.31Å; I203-L207 WeakPolarHBondContact O-CG 3.26Å; I203-L207 PolarHBondContact O-N 3.26Å |
| 204 | E | 90.5 | Very high | 83.3 | Confident | 57 Ų | 57 | 70.9 Ų | 70.9 | 27% | 0.266 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.4 | -46.5 | 178.3 | -176.7 | 174.6 | -155.8 | 0 | 0 | 112.2 | A177 W200 M201 L207 I208 | A177-E204 WeakPolarHBondContact CB-OE1 3.44Å; W200-E204 WeakPolarHBondContact O-CB 3.46Å; W200-E204 PolarHBondContact O-N 3.26Å; M201-E204 VanDerWaalsContact CE-OE2 3.29Å; M201-E204 WeakPolarHBondContact CE-OE2 3.35Å; M201-E204 PolarHBondContact O-N 2.92Å; E204-L207 PolarHBondContact O-N 3.02Å; E204-I208 HydrophobicContact CG-CD1 4.29Å; E204-I208 WeakPolarHBondContact O-CG1 3.24Å; E204-I208 PolarHBondContact O-N 3.35Å |
| 205 | I | 92.6 | Very high | 85.5 | Confident | 27 Ų | 27 | 71 Ų | 71 | 14% | 0.138 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 176.7 | -68.4 | 169.4 | 0 | 0 | 0 | 111 | I121 L122 M201 A202 I203 L207 I208 W209 | I121-I205 HydrophobicContact CG2-CD1 3.59Å; L122-I205 HydrophobicContact CD1-CG1 4.15Å; M201-I205 WeakPolarHBondContact O-CG1 3.43Å; M201-I205 PolarHBondContact O-N 3.41Å; A202-I205 PolarHBondContact O-N 3.45Å; I203-I205 PolarHBondContact O-N 3.47Å; I205-L207 VanDerWaalsContact C-N 3.28Å; I205-L207 PolarHBondContact O-N 3.05Å; I205-I208 WeakPolarHBondContact O-CB 3.5Å; I205-I208 PolarHBondContact O-N 3.32Å; I205-W209 PolarHBondContact O-N 2.89Å |
| 206 | A | 93.8 | Very high | 88 | Confident | 47 Ų | 47 | 66.8 Ų | 66.8 | 39% | 0.388 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.7 | -42.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A202 I203 W209 I210 | A202-A206 WeakPolarHBondContact O-CB 3.22Å; A202-A206 PolarHBondContact O-N 3.31Å; I203-A206 PolarHBondContact O-N 2.9Å; A206-W209 PolarHBondContact O-N 2.85Å; A206-I210 WeakPolarHBondContact O-CB 3.27Å; A206-I210 VanDerWaalsContact O-CG1 3.24Å; A206-I210 WeakPolarHBondContact O-CG1 3.27Å; A206-I210 PolarHBondContact O-N 3.42Å |
| 207 | L | 95.8 | Very high | 90 | Very high | 107 Ų | 107 | 67.8 Ų | 67.8 | 56% | 0.56 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.8 | -43 | 175.6 | -70.8 | 173.4 | 0 | 0 | 0 | 112.1 | I203 E204 I205 W209 I210 L211 | I203-L207 HydrophobicContact CG2-CD1 3.97Å; I203-L207 HydrophobicContact CG2-CG 4.32Å; I203-L207 VanDerWaalsContact O-CG 3.31Å; I203-L207 WeakPolarHBondContact O-CG 3.26Å; I203-L207 PolarHBondContact O-N 3.26Å; E204-L207 PolarHBondContact O-N 3.02Å; I205-L207 VanDerWaalsContact C-N 3.28Å; I205-L207 PolarHBondContact O-N 3.05Å; L207-W209 VanDerWaalsContact C-N 3.33Å; L207-W209 PolarHBondContact O-N 3.15Å; L207-I210 PolarHBondContact O-N 2.95Å; L207-L211 WeakPolarHBondContact O-CB 3.3Å; L207-L211 PolarHBondContact O-N 3.44Å |
| 208 | I | 96.4 | Very high | 91.6 | Very high | 13 Ų | 13 | 65.3 Ų | 65.3 | 7% | 0.067 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57 | -48.5 | 175.3 | -72 | 167.1 | 0 | 0 | 0 | 110.4 | L122 I170 L173 A177 E204 I205 S212 | L122-I208 HydrophobicContact CD1-CD1 3.83Å; I170-I208 HydrophobicContact CG2-CG2 4.47Å; L173-I208 HydrophobicContact CB-CB 4.46Å; L173-I208 HydrophobicContact CB-CG1 4.11Å; L173-I208 HydrophobicContact CB-CG2 3.87Å; L173-I208 HydrophobicContact CD1-CG2 4.47Å; A177-I208 HydrophobicContact CB-CD1 3.9Å; E204-I208 HydrophobicContact CG-CD1 4.29Å; E204-I208 WeakPolarHBondContact O-CG1 3.24Å; E204-I208 PolarHBondContact O-N 3.35Å; I205-I208 WeakPolarHBondContact O-CB 3.5Å; I205-I208 PolarHBondContact O-N 3.32Å; I208-S212 VanDerWaalsContact O-CB 3.25Å; I208-S212 WeakPolarHBondContact O-CB 3.23Å; I208-S212 PolarHBondContact O-N 2.88Å; I208-S212 PolarHBondContact O-OG 2.89Å |
| 209 | W | 97.4 | Very high | 92.8 | Very high | 71 Ų | 71 | 63 Ų | 63 | 27% | 0.269 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.9 | -48.3 | -179 | -83.1 | 71.6 | 0 | 0 | 0 | 112.3 | S125 L128 L132 I170 I205 A206 L207 L211 S212 V213 | S125-W209 PolarHBondContact OG-NE1 2.84Å; L128-W209 HydrophobicContact CB-CZ2 4.33Å; L128-W209 HydrophobicContact CD2-CH2 3.72Å; L128-W209 HydrophobicContact CD2-CZ2 3.65Å; L128-W209 HydrophobicContact CG-CH2 3.96Å; L128-W209 HydrophobicContact CG-CZ2 4Å; L132-W209 HydrophobicContact CD1-CH2 3.88Å; L132-W209 HydrophobicContact CD1-CZ3 4.21Å; I170-W209 HydrophobicContact CD1-CD2 3.74Å; I170-W209 HydrophobicContact CD1-CE3 3.7Å; I170-W209 HydrophobicContact CD1-CG 4.44Å; I170-W209 HydrophobicContact CD1-CH2 3.82Å; I170-W209 HydrophobicContact CD1-CZ2 3.84Å; I170-W209 HydrophobicContact CD1-CZ3 3.75Å; I170-W209 HydrophobicContact CG1-CD2 4.26Å; I170-W209 HydrophobicContact CG1-CG 4.47Å; I205-W209 PolarHBondContact O-N 2.89Å; A206-W209 PolarHBondContact O-N 2.85Å; L207-W209 VanDerWaalsContact C-N 3.33Å; L207-W209 PolarHBondContact O-N 3.15Å; W209-L211 PolarHBondContact O-N 3.25Å; W209-S212 PolarHBondContact O-N 3.31Å; W209-V213 WeakPolarHBondContact O-CB 3.49Å; W209-V213 WeakPolarHBondContact O-CG2 3.49Å; W209-V213 PolarHBondContact O-N 2.93Å |
| 210 | I | 97.8 | Very high | 93.7 | Very high | 101 Ų | 101 | 55.7 Ų | 55.7 | 52% | 0.518 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.4 | -48.7 | 179.6 | -69.6 | 166.3 | 0 | 0 | 0 | 110.1 | A206 L207 S212 V213 I214 | A206-I210 WeakPolarHBondContact O-CB 3.27Å; A206-I210 VanDerWaalsContact O-CG1 3.24Å; A206-I210 WeakPolarHBondContact O-CG1 3.27Å; A206-I210 PolarHBondContact O-N 3.42Å; L207-I210 PolarHBondContact O-N 2.95Å; I210-S212 VanDerWaalsContact C-N 3.35Å; I210-S212 PolarHBondContact O-N 3.27Å; I210-V213 PolarHBondContact O-N 3.34Å; I210-I214 HydrophobicContact CG2-CD1 3.64Å; I210-I214 HydrophobicContact CG2-CG1 4.4Å; I210-I214 VanDerWaalsContact O-CG1 3.26Å; I210-I214 WeakPolarHBondContact O-CG1 3.42Å; I210-I214 PolarHBondContact O-N 2.88Å |
| 211 | L | 97.3 | Very high | 94.4 | Very high | 79 Ų | 79 | 50.4 Ų | 50.4 | 41% | 0.414 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 179 | -176.2 | 58.6 | 0 | 0 | 0 | 111.2 | L173 L207 W209 V213 I214 L215 | L173-L211 HydrophobicContact CD1-CB 4.13Å; L173-L211 HydrophobicContact CD1-CD2 3.83Å; L173-L211 HydrophobicContact CD1-CG 4.02Å; L173-L211 HydrophobicContact CD2-CD2 4.37Å; L207-L211 WeakPolarHBondContact O-CB 3.3Å; L207-L211 PolarHBondContact O-N 3.44Å; W209-L211 PolarHBondContact O-N 3.25Å; L211-V213 VanDerWaalsContact C-N 3.33Å; L211-V213 PolarHBondContact O-N 3.44Å; L211-I214 PolarHBondContact O-N 3.44Å; L211-L215 HydrophobicContact CD1-CD1 4.3Å; L211-L215 HydrophobicContact CD1-CD2 4.4Å; L211-L215 HydrophobicContact CD1-CG 4.12Å; L211-L215 HydrophobicContact CG-CD1 4.17Å; L211-L215 HydrophobicContact CG-CG 4.38Å; L211-L215 VanDerWaalsContact O-CG 3.27Å; L211-L215 WeakPolarHBondContact O-CG 3.43Å; L211-L215 PolarHBondContact O-N 3.49Å |
| 212 | S | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 178.3 | -58.6 | 0 | 0 | 0 | 0 | 112.8 | A166 G169 I170 I208 W209 I210 A216 | A166-S212 WeakPolarHBondContact O-CB 3.19Å; G169-S212 PolarHBondContact O-OG 3.24Å; I170-S212 WeakPolarHBondContact CA-OG 3.46Å; I170-S212 PolarHBondContact N-OG 3.27Å; I208-S212 VanDerWaalsContact O-CB 3.25Å; I208-S212 WeakPolarHBondContact O-CB 3.23Å; I208-S212 PolarHBondContact O-N 2.88Å; I208-S212 PolarHBondContact O-OG 2.89Å; W209-S212 PolarHBondContact O-N 3.31Å; I210-S212 VanDerWaalsContact C-N 3.35Å; I210-S212 PolarHBondContact O-N 3.27Å; S212-A216 WeakPolarHBondContact O-CB 3.5Å; S212-A216 PolarHBondContact O-N 3.44Å |
| 213 | V | 97.4 | Very high | 95.5 | Very high | 56 Ų | 56 | 48.8 Ų | 48.8 | 34% | 0.339 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65 | -48.7 | 175.8 | 164.8 | 0 | 0 | 0 | 0 | 110.6 | F162 A166 W209 I210 L211 L215 A216 V217 | F162-V213 HydrophobicContact CE2-CG1 4.19Å; F162-V213 HydrophobicContact CZ-CG1 3.95Å; A166-V213 HydrophobicContact CB-CG2 4.5Å; W209-V213 WeakPolarHBondContact O-CB 3.49Å; W209-V213 WeakPolarHBondContact O-CG2 3.49Å; W209-V213 PolarHBondContact O-N 2.93Å; I210-V213 PolarHBondContact O-N 3.34Å; L211-V213 VanDerWaalsContact C-N 3.33Å; L211-V213 PolarHBondContact O-N 3.44Å; V213-L215 VanDerWaalsContact C-N 3.34Å; V213-L215 PolarHBondContact O-N 3.29Å; V213-A216 PolarHBondContact O-N 3.33Å; V213-V217 WeakPolarHBondContact O-CG2 3.48Å; V213-V217 PolarHBondContact O-N 3.49Å; V213-V217 VanDerWaalsContact O-N 3.13Å |
| 214 | I | 97.4 | Very high | 95.7 | Very high | 98 Ų | 98 | 47.3 Ų | 47.3 | 50% | 0.503 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.4 | -47.5 | 179.5 | -70.9 | 168.3 | 0 | 0 | 0 | 110.8 | I210 L211 A216 V217 | I210-I214 HydrophobicContact CG2-CD1 3.64Å; I210-I214 HydrophobicContact CG2-CG1 4.4Å; I210-I214 VanDerWaalsContact O-CG1 3.26Å; I210-I214 WeakPolarHBondContact O-CG1 3.42Å; I210-I214 PolarHBondContact O-N 2.88Å; L211-I214 PolarHBondContact O-N 3.44Å; I214-A216 PolarHBondContact O-N 2.81Å; I214-V217 WeakPolarHBondContact O-CB 3.29Å; I214-V217 PolarHBondContact O-N 3.38Å |
| 215 | L | 96.2 | Very high | 95.8 | Very high | 45 Ų | 45 | 46.7 Ų | 46.7 | 24% | 0.236 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.7 | -23 | 179.7 | -66.2 | -177.1 | 0 | 0 | 0 | 113.1 | L211 V213 W259 Y264 | L211-L215 HydrophobicContact CD1-CD1 4.3Å; L211-L215 HydrophobicContact CD1-CD2 4.4Å; L211-L215 HydrophobicContact CD1-CG 4.12Å; L211-L215 HydrophobicContact CG-CD1 4.17Å; L211-L215 HydrophobicContact CG-CG 4.38Å; L211-L215 VanDerWaalsContact O-CG 3.27Å; L211-L215 WeakPolarHBondContact O-CG 3.43Å; L211-L215 PolarHBondContact O-N 3.49Å; V213-L215 VanDerWaalsContact C-N 3.34Å; V213-L215 PolarHBondContact O-N 3.29Å; L215-W259 HydrophobicContact CD1-CZ2 4.24Å; L215-W259 HydrophobicContact CD2-CH2 4.07Å; L215-W259 HydrophobicContact CD2-CZ2 3.68Å; L215-W259 HydrophobicContact CG-CZ2 4.38Å; L215-Y264 WeakPolarHBondContact CB-OH 3.33Å |
| 216 | A | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -88.9 | -16.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | F162 K165 A166 S212 V213 I214 P218 E219 | F162-A216 HydrophobicContact CD2-CB 3.8Å; F162-A216 HydrophobicContact CE2-CB 4Å; K165-A216 HydrophobicContact CB-CB 3.91Å; A166-A216 HydrophobicContact CB-CB 3.86Å; S212-A216 WeakPolarHBondContact O-CB 3.5Å; S212-A216 PolarHBondContact O-N 3.44Å; V213-A216 PolarHBondContact O-N 3.33Å; I214-A216 PolarHBondContact O-N 2.81Å; A216-P218 VanDerWaalsContact C-CD 3.42Å; A216-P218 VanDerWaalsContact C-N 3.34Å; A216-E219 VanDerWaalsContact O-CB 3.3Å; A216-E219 WeakPolarHBondContact O-CB 3.37Å; A216-E219 PolarHBondContact O-N 2.89Å |
| 217 | V | 96.9 | Very high | 95.4 | Very high | 61 Ų | 61 | 48.6 Ų | 48.6 | 37% | 0.37 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -51.5 | -42.8 | -178.6 | 171.2 | 0 | 0 | 0 | 0 | 113.6 | F162 V213 I214 E219 A220 I221 | F162-V217 HydrophobicContact CE2-CG2 4.43Å; V213-V217 WeakPolarHBondContact O-CG2 3.48Å; V213-V217 PolarHBondContact O-N 3.49Å; V213-V217 VanDerWaalsContact O-N 3.13Å; I214-V217 WeakPolarHBondContact O-CB 3.29Å; I214-V217 PolarHBondContact O-N 3.38Å; V217-E219 PolarHBondContact O-N 2.93Å; V217-E219 VanDerWaalsContact O-N 3.12Å; V217-A220 WeakPolarHBondContact O-CB 3.45Å; V217-A220 PolarHBondContact O-N 3Å; V217-I221 HydrophobicContact CG1-CD1 3.79Å; V217-I221 HydrophobicContact CG1-CG1 4.32Å; V217-I221 PolarHBondContact O-N 3.39Å |
| 218 | P | 95.8 | Very high | 94.7 | Very high | 18 Ų | 18 | 47.9 Ų | 47.9 | 12% | 0.117 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.3 | -28.8 | 178.9 | -28 | 37.5 | 0 | 0 | 0 | 113.9 | A216 I221 A222 F248 M249 Y252 | A216-P218 VanDerWaalsContact C-CD 3.42Å; A216-P218 VanDerWaalsContact C-N 3.34Å; P218-I221 PolarHBondContact O-N 2.97Å; P218-A222 WeakPolarHBondContact O-CB 3.43Å; P218-A222 PolarHBondContact O-N 3.09Å; P218-F248 HydrophobicContact CG-CE1 4.39Å; P218-M249 HydrophobicContact CB-CE 4.32Å; P218-M249 HydrophobicContact CB-SD 4.46Å; P218-M249 VanDerWaalsContact O-CE 3.32Å; P218-M249 WeakPolarHBondContact O-CE 3.37Å; P218-Y252 HydrophobicContact CB-CD1 3.9Å; P218-Y252 HydrophobicContact CB-CD2 3.72Å; P218-Y252 HydrophobicContact CB-CE1 3.71Å; P218-Y252 HydrophobicContact CB-CE2 3.52Å; P218-Y252 HydrophobicContact CB-CG 3.91Å; P218-Y252 HydrophobicContact CG-CD2 4.27Å; P218-Y252 HydrophobicContact CG-CE2 4.12Å |
| 219 | E | 95.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 176.3 | -62.1 | -77.1 | -172 | 0 | 0 | 111.5 | P161 K165 A216 V217 I221 A222 F223 Y252 K256 | P161-E219 HydrophobicContact CB-CB 4.35Å; K165-E219 HydrophobicContact CB-CG 4.1Å; K165-E219 WeakPolarHBondContact CE-OE1 3.38Å; K165-E219 HydrophobicContact CG-CG 3.59Å; K165-E219 WeakPolarHBondContact CG-OE1 3.33Å; A216-E219 VanDerWaalsContact O-CB 3.3Å; A216-E219 WeakPolarHBondContact O-CB 3.37Å; A216-E219 PolarHBondContact O-N 2.89Å; V217-E219 PolarHBondContact O-N 2.93Å; V217-E219 VanDerWaalsContact O-N 3.12Å; E219-I221 VanDerWaalsContact C-N 3.27Å; E219-I221 PolarHBondContact O-N 2.68Å; E219-A222 PolarHBondContact O-N 3.34Å; E219-F223 WeakPolarHBondContact O-CB 3.42Å; E219-F223 WeakPolarHBondContact O-CD2 3.44Å; E219-F223 PolarHBondContact O-N 2.88Å; E219-F223 VanDerWaalsContact O-N 3.08Å; E219-F223 WeakPolarHBondContact OE2-CE2 3.11Å; E219-Y252 WeakPolarHBondContact CG-OH 3.09Å; E219-Y252 PolarHBondContact OE1-OH 3.31Å; E219-Y252 VanDerWaalsContact OE1-OH 3.05Å; E219-K256 WeakPolarHBondContact OE1-CE 3.41Å; E219-K256 IonicContact OE1-NZ 3.26Å; E219-K256 PolarHBondContact OE1-NZ 2.96Å; E219-K256 IonicContact OE2-NZ 2.95Å; E219-K256 PolarHBondContact OE2-NZ 3.37Å |
| 220 | A | 95.7 | Very high | 93.3 | Very high | 29 Ų | 29 | 53.8 Ų | 53.8 | 24% | 0.24 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.9 | -33.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | K158 F162 V217 | K158-A220 WeakPolarHBondContact CD-O 3.5Å; K158-A220 VanDerWaalsContact CG-O 3.29Å; K158-A220 WeakPolarHBondContact CG-O 3.15Å; F162-A220 HydrophobicContact CB-CB 4.03Å; F162-A220 HydrophobicContact CD2-CB 4.31Å; F162-A220 HydrophobicContact CG-CB 4.34Å; V217-A220 WeakPolarHBondContact O-CB 3.45Å; V217-A220 PolarHBondContact O-N 3Å |
| 221 | I | 95.4 | Very high | 92.4 | Very high | 97 Ų | 97 | 56.3 Ų | 56.3 | 50% | 0.497 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -78.2 | -43 | 179.5 | -58.4 | 173.2 | 0 | 0 | 0 | 110.4 | V217 P218 E219 M249 | V217-I221 HydrophobicContact CG1-CD1 3.79Å; V217-I221 HydrophobicContact CG1-CG1 4.32Å; V217-I221 PolarHBondContact O-N 3.39Å; P218-I221 PolarHBondContact O-N 2.97Å; E219-I221 VanDerWaalsContact C-N 3.27Å; E219-I221 PolarHBondContact O-N 2.68Å; I221-M249 HydrophobicContact CB-CE 3.93Å; I221-M249 HydrophobicContact CB-SD 4.3Å; I221-M249 HydrophobicContact CG2-CE 3.94Å; I221-M249 HydrophobicContact CG2-CG 4.1Å; I221-M249 HydrophobicContact CG2-SD 4.05Å |
| 222 | A | 94.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -76.2 | -34 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P218 E219 L240 H241 Q244 M249 Y252 | P218-A222 WeakPolarHBondContact O-CB 3.43Å; P218-A222 PolarHBondContact O-N 3.09Å; E219-A222 PolarHBondContact O-N 3.34Å; A222-L240 HydrophobicContact CB-CD1 3.33Å; A222-L240 HydrophobicContact CB-CG 3.98Å; A222-H241 PolarHBondContact O-N 3.46Å; A222-Q244 PolarHBondContact O-NE2 3.09Å; A222-Q244 VanDerWaalsContact O-NE2 3.09Å; A222-M249 HydrophobicContact CB-CE 3.43Å; A222-M249 VanDerWaalsContact CB-CE 3.43Å; A222-Y252 HydrophobicContact CB-CD1 4.38Å; A222-Y252 HydrophobicContact CB-CE1 4.25Å |
| 223 | F | 95 | Very high | 90.7 | Very high | 32 Ų | 32 | 62 Ų | 62 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 136.3 | -178.9 | -87.5 | -110.2 | 0 | 0 | 0 | 110.9 | K158 P161 E219 L239 L240 | K158-F223 WeakPolarHBondContact CG-O 3.38Å; K158-F223 PolarHBondContact NZ-O 3.47Å; P161-F223 HydrophobicContact CB-CD1 4.33Å; P161-F223 HydrophobicContact CB-CD2 4.22Å; P161-F223 HydrophobicContact CB-CE1 4.26Å; P161-F223 HydrophobicContact CB-CE2 4.19Å; P161-F223 HydrophobicContact CB-CG 4.3Å; P161-F223 HydrophobicContact CB-CZ 4.19Å; P161-F223 HydrophobicContact CG-CB 4.11Å; P161-F223 HydrophobicContact CG-CD1 3.8Å; P161-F223 HydrophobicContact CG-CD2 4.01Å; P161-F223 HydrophobicContact CG-CE1 4.22Å; P161-F223 HydrophobicContact CG-CE2 4.43Å; P161-F223 HydrophobicContact CG-CG 3.68Å; E219-F223 WeakPolarHBondContact O-CB 3.42Å; E219-F223 WeakPolarHBondContact O-CD2 3.44Å; E219-F223 PolarHBondContact O-N 2.88Å; E219-F223 VanDerWaalsContact O-N 3.08Å; E219-F223 WeakPolarHBondContact OE2-CE2 3.11Å; F223-L239 WeakPolarHBondContact CA-O 3.42Å; F223-L240 HydrophobicContact CD2-CB 4.22Å; F223-L240 HydrophobicContact CD2-CD1 3.98Å; F223-L240 HydrophobicContact CE2-CB 3.82Å; F223-L240 HydrophobicContact CE2-CD1 3.68Å; F223-L240 HydrophobicContact CE2-CG 4.37Å; F223-L240 HydrophobicContact CZ-CB 4.11Å |
| 224 | D | 94.6 | Very high | 90.1 | Very high | 53 Ų | 53 | 67 Ų | 67 | 28% | 0.283 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 164.3 | 172.5 | -133.6 | -40.6 | 0 | 0 | 0 | 111.4 | V154 C157 K158 L239 H241 | V154-D224 WeakPolarHBondContact CG1-OD1 3.31Å; C157-D224 VanDerWaalsContact SG-C 3.59Å; K158-D224 IonicContact NZ-OD1 2.64Å; K158-D224 IonicContact NZ-OD2 2.7Å; K158-D224 PolarHBondContact NZ-OD2 3.23Å; D224-L239 PolarHBondContact N-O 2.93Å; D224-L239 PolarHBondContact O-N 3.27Å; D224-L239 VanDerWaalsContact O-O 3.11Å; D224-H241 HydrophobicContact CB-CB 4.15Å |
| 225 | M | 92.4 | Very high | 89.5 | Confident | 45 Ų | 45 | 65 Ų | 65 | 22% | 0.222 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 134.1 | 172.8 | -167.3 | -177.8 | -56.9 | 0 | 0 | 109.7 | G153 V154 R236 | G153-M225 WeakPolarHBondContact O-CE 3.41Å; V154-M225 HydrophobicContact CG2-CB 3.83Å; V154-M225 HydrophobicContact CG2-CE 4.1Å; M225-R236 HydrophobicContact SD-CB 4.37Å |
| 226 | I | 90 | Very high | 89.1 | Confident | 20 Ų | 20 | 68.6 Ų | 68.6 | 10% | 0.103 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 147 | 171.7 | 64.6 | -179 | 0 | 0 | 0 | 110.2 | M228 I237 L239 H241 | I226-M228 HydrophobicContact CB-CE 4.37Å; I226-M228 HydrophobicContact CD1-CE 3.5Å; I226-M228 HydrophobicContact CD1-CG 4.02Å; I226-M228 HydrophobicContact CG1-CE 4.25Å; I226-M228 HydrophobicContact CG1-CG 4.21Å; I226-I237 PolarHBondContact N-O 3.05Å; I226-I237 PolarHBondContact O-N 3.18Å; I226-L239 HydrophobicContact CD1-CD1 4.08Å; I226-L239 HydrophobicContact CD1-CD2 3.57Å; I226-L239 HydrophobicContact CD1-CG 3.98Å; I226-L239 HydrophobicContact CG1-CD2 4.03Å; I226-L239 HydrophobicContact CG1-CG 4.41Å; I226-H241 WeakPolarHBondContact CG2-CD2 3.31Å |
| 227 | T | 87.9 | Confident | 88.7 | Confident | 94 Ų | 94 | 71.5 Ų | 71.5 | 58% | 0.577 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 127 | 167.1 | 45.2 | 0 | 0 | 0 | 0 | 108.5 | L235 R236 | T227-L235 WeakPolarHBondContact CA-O 3.32Å; T227-R236 HydrophobicContact CG2-CG 3.89Å |
| 228 | M | 82.3 | Confident | 88.5 | Confident | 92 Ų | 92 | 69.2 Ų | 69.2 | 45% | 0.453 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 131.4 | 176.3 | -71.3 | -67.3 | 167.5 | 0 | 0 | 109 | I226 Y230 L235 | I226-M228 HydrophobicContact CB-CE 4.37Å; I226-M228 HydrophobicContact CD1-CE 3.5Å; I226-M228 HydrophobicContact CD1-CG 4.02Å; I226-M228 HydrophobicContact CG1-CE 4.25Å; I226-M228 HydrophobicContact CG1-CG 4.21Å; M228-Y230 PolarHBondContact O-N 3.43Å; M228-L235 PolarHBondContact N-O 2.97Å; M228-L235 PolarHBondContact O-N 3.39Å |
| 229 | D | 82.9 | Confident | 88.4 | Confident | 115 Ų | 115 | 71 Ų | 71 | 62% | 0.615 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 114.2 | 167.1 | -170.8 | -30.5 | 0 | 0 | 0 | 107.8 | G232 E233 | D229-G232 VanDerWaalsContact OD1-CA 3.23Å; D229-G232 WeakPolarHBondContact OD1-CA 3.42Å; D229-G232 PolarHBondContact OD1-N 3.24Å; D229-E233 WeakPolarHBondContact CA-O 3.47Å |
| 230 | Y | 80 | Confident | 88.2 | Confident | 93 Ų | 93 | 72.4 Ų | 72.4 | 37% | 0.365 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 115.4 | 177.1 | -173.5 | -101.5 | 0 | 0 | 0 | 108.9 | M72 M228 G232 E233 L235 | M72-Y230 HydrophobicContact CE-CE2 4.15Å; M228-Y230 PolarHBondContact O-N 3.43Å; Y230-G232 PolarHBondContact O-N 3.48Å; Y230-E233 PolarHBondContact N-O 3.35Å; Y230-E233 PolarHBondContact O-N 3.06Å; Y230-E233 VanDerWaalsContact O-N 3.11Å; Y230-L235 HydrophobicContact CD1-CD1 4.25Å; Y230-L235 HydrophobicContact CG-CD1 4.26Å |
| 231 | K | 78.7 | Confident | 87.9 | Confident | 153 Ų | 153 | 73.8 Ų | 73.8 | 67% | 0.665 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 31.1 | -177.7 | -60 | -177.8 | 177 | -179.4 | 0 | 113.9 | M72 | M72-K231 HydrophobicContact CE-CG 4.33Š|
| 232 | G | 79.2 | Confident | 87.4 | Confident | 63 Ų | 63 | 71.6 Ų | 71.6 | 65% | 0.649 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | 0.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D229 Y230 | D229-G232 VanDerWaalsContact OD1-CA 3.23Å; D229-G232 WeakPolarHBondContact OD1-CA 3.42Å; D229-G232 PolarHBondContact OD1-N 3.24Å; Y230-G232 PolarHBondContact O-N 3.48Å |
| 233 | E | 81.8 | Confident | 87 | Confident | 136 Ų | 136 | 76.3 Ų | 76.3 | 64% | 0.636 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 137.1 | 173.9 | -65.2 | -168.7 | 165.7 | 0 | 0 | 111.3 | D229 Y230 L235 | D229-E233 WeakPolarHBondContact CA-O 3.47Å; Y230-E233 PolarHBondContact N-O 3.35Å; Y230-E233 PolarHBondContact O-N 3.06Å; Y230-E233 VanDerWaalsContact O-N 3.11Å; E233-L235 PolarHBondContact O-N 3.22Å |
| 234 | Q | 83.6 | Confident | 86.8 | Confident | 160 Ų | 160 | 75.7 Ų | 75.7 | 75% | 0.748 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 107.7 | 174.7 | -68.8 | -164.8 | 0.1 | 0 | 0 | 110.9 | ||
| 235 | L | 84.3 | Confident | 86.5 | Confident | 58 Ų | 58 | 82.8 Ų | 82.8 | 30% | 0.304 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132.3 | 176.5 | -63.4 | 172.9 | 0 | 0 | 0 | 110.7 | T227 M228 Y230 E233 I237 | T227-L235 WeakPolarHBondContact CA-O 3.32Å; M228-L235 PolarHBondContact N-O 2.97Å; M228-L235 PolarHBondContact O-N 3.39Å; Y230-L235 HydrophobicContact CD1-CD1 4.25Å; Y230-L235 HydrophobicContact CG-CD1 4.26Å; E233-L235 PolarHBondContact O-N 3.22Å; L235-I237 HydrophobicContact CB-CD1 4.14Å; L235-I237 HydrophobicContact CB-CG1 4.09Å |
| 236 | R | 87.5 | Confident | 86.5 | Confident | 120 Ų | 120 | 84.2 Ų | 84.2 | 45% | 0.453 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 114.5 | 171.4 | -70.6 | 175.5 | -59.9 | -175.1 | 2.6 | 109.1 | D149 W150 M225 T227 | D149-R236 IonicContact OD2-NH2 2.84Å; D149-R236 PolarHBondContact OD2-NH2 3.3Å; W150-R236 PolarHBondContact N-O 3.43Å; M225-R236 HydrophobicContact SD-CB 4.37Å; T227-R236 HydrophobicContact CG2-CG 3.89Å |
| 237 | I | 89.4 | Confident | 86.7 | Confident | 61 Ų | 61 | 88.7 Ų | 88.7 | 31% | 0.313 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 132.7 | -172.5 | -45.6 | 172.5 | 0 | 0 | 0 | 109.4 | I226 L235 L239 | I226-I237 PolarHBondContact N-O 3.05Å; I226-I237 PolarHBondContact O-N 3.18Å; L235-I237 HydrophobicContact CB-CD1 4.14Å; L235-I237 HydrophobicContact CB-CG1 4.09Å; I237-L239 HydrophobicContact CB-CD2 4.07Å; I237-L239 HydrophobicContact CG2-CD2 3.73Å |
| 238 | C | 92.9 | Very high | 87 | Confident | 12 Ų | 12 | 90.2 Ų | 90.2 | 8% | 0.081 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 116.2 | 167.8 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | W150 C157 | W150-C238 HydrophobicContact CB-CB 4.28Å; W150-C238 HydrophobicContact CD2-CB 3.44Å; W150-C238 VanDerWaalsContact CD2-CB 3.44Å; W150-C238 HydrophobicContact CE3-CB 3.84Å; W150-C238 HydrophobicContact CG-CB 3.62Å; W150-C238 HydrophobicContact CZ2-CB 4.37Å; W150-C238 HydrophobicContact CZ3-CB 4.42Å; C157-C238 WeakPolarHBondContact CA-SG 3.43Å; C157-C238 HydrophobicContact CB-CB 3.78Å; C157-C238 WeakPolarHBondContact CB-SG 3.24Å; C157-C238 PolarHBondContact O-SG 3.38Å; C157-C238 WeakPolarHBondContact SG-CA 3.32Å; C157-C238 WeakPolarHBondContact SG-CB 3.48Å; C157-C238 CovalentContact SG-SG 2.03Å; C157-C238 PolarHBondContact SG-SG 3.01Å |
| 239 | L | 92.3 | Very high | 87.6 | Confident | 56 Ų | 56 | 86.1 Ų | 86.1 | 29% | 0.293 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 167.9 | 178.7 | 64.9 | 99.7 | 0 | 0 | 0 | 112.7 | F223 D224 I226 I237 H241 | F223-L239 WeakPolarHBondContact CA-O 3.42Å; D224-L239 PolarHBondContact N-O 2.93Å; D224-L239 PolarHBondContact O-N 3.27Å; D224-L239 VanDerWaalsContact O-O 3.11Å; I226-L239 HydrophobicContact CD1-CD1 4.08Å; I226-L239 HydrophobicContact CD1-CD2 3.57Å; I226-L239 HydrophobicContact CD1-CG 3.98Å; I226-L239 HydrophobicContact CG1-CD2 4.03Å; I226-L239 HydrophobicContact CG1-CG 4.41Å; I237-L239 HydrophobicContact CB-CD2 4.07Å; I237-L239 HydrophobicContact CG2-CD2 3.73Å; L239-H241 PolarHBondContact O-N 3.36Å |
| 240 | L | 92.3 | Very high | 88.1 | Confident | 31 Ų | 31 | 86.3 Ų | 86.3 | 16% | 0.162 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 104.9 | 172.8 | -174.6 | 110.4 | 0 | 0 | 0 | 109.3 | A222 F223 Y252 K253 K256 | A222-L240 HydrophobicContact CB-CD1 3.33Å; A222-L240 HydrophobicContact CB-CG 3.98Å; F223-L240 HydrophobicContact CD2-CB 4.22Å; F223-L240 HydrophobicContact CD2-CD1 3.98Å; F223-L240 HydrophobicContact CE2-CB 3.82Å; F223-L240 HydrophobicContact CE2-CD1 3.68Å; F223-L240 HydrophobicContact CE2-CG 4.37Å; F223-L240 HydrophobicContact CZ-CB 4.11Å; L240-Y252 HydrophobicContact CD1-CE1 4.19Å; L240-K253 HydrophobicContact CD2-CB 3.97Å; L240-K253 HydrophobicContact CD2-CD 4.24Å; L240-K253 HydrophobicContact CD2-CG 3.61Å; L240-K256 HydrophobicContact CD1-CD 3.92Å |
| 241 | H | 88.6 | Confident | 88.8 | Confident | 57 Ų | 57 | 88.4 Ų | 88.4 | 26% | 0.264 | 43% | 0.432 | S | S | . | . | trans | -54.5 | 132.7 | -165.5 | -168.1 | -88 | 0 | 0 | 0 | 111.8 | A222 D224 I226 L239 M243 Q244 | A222-H241 PolarHBondContact O-N 3.46Å; D224-H241 HydrophobicContact CB-CB 4.15Å; I226-H241 WeakPolarHBondContact CG2-CD2 3.31Å; L239-H241 PolarHBondContact O-N 3.36Å; H241-M243 VanDerWaalsContact C-N 3.28Å; H241-M243 PolarHBondContact ND1-N 3.02Å; H241-M243 PolarHBondContact ND1-O 3.4Å; H241-M243 PolarHBondContact O-N 2.94Å; H241-Q244 PolarHBondContact O-NE2 3.44Å | ||
| 242 | P | 85.1 | Confident | 89.6 | Confident | 51 Ų | 51 | 81.8 Ų | 81.8 | 33% | 0.331 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -67.1 | -31 | -172 | 24.3 | -33.7 | 0 | 0 | 0 | 112.8 | K253 | P242-K253 PolarHBondContact O-NZ 2.95Š|
| 243 | M | 86.1 | Confident | 90.3 | Very high | 100 Ų | 100 | 82.8 Ų | 82.8 | 49% | 0.493 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -104.1 | 107.2 | 177.5 | -59.6 | -73.1 | 84.7 | 0 | 0 | 110.5 | H241 | H241-M243 VanDerWaalsContact C-N 3.28Å; H241-M243 PolarHBondContact ND1-N 3.02Å; H241-M243 PolarHBondContact ND1-O 3.4Å; H241-M243 PolarHBondContact O-N 2.94Å |
| 244 | Q | 90.8 | Very high | 90.7 | Very high | 19 Ų | 19 | 80.5 Ų | 80.5 | 9% | 0.089 | 39% | 0.388 | C | S | . | . | trans | -97 | 134 | 179.5 | -65.1 | -66.5 | -29.4 | 0 | 0 | 109.9 | A222 H241 M249 R250 K253 | A222-Q244 PolarHBondContact O-NE2 3.09Å; A222-Q244 VanDerWaalsContact O-NE2 3.09Å; H241-Q244 PolarHBondContact O-NE2 3.44Å; Q244-M249 HydrophobicContact CB-CB 3.78Å; Q244-M249 HydrophobicContact CG-CB 4.2Å; Q244-R250 HydrophobicContact CB-CG 3.8Å; Q244-R250 PolarHBondContact O-NE 3.03Å; Q244-K253 HydrophobicContact CG-CB 4.29Å; Q244-K253 HydrophobicContact CG-CD 4.42Å | ||
| 245 | K | 88.1 | Confident | 91.2 | Very high | 202 Ų | 202 | 74 Ų | 74 | 88% | 0.878 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -69.4 | -43.6 | -171.5 | -66.2 | -177.4 | -179.7 | 179.1 | 0 | 112.9 | ||
| 246 | T | 93.3 | Very high | 91.7 | Very high | 75 Ų | 75 | 72 Ų | 72 | 46% | 0.46 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -99.3 | 155.3 | -176 | 63.4 | 0 | 0 | 0 | 0 | 112.1 | F248 M249 R250 | T246-F248 VanDerWaalsContact C-N 3.33Å; T246-F248 PolarHBondContact O-N 3.38Å; T246-M249 PolarHBondContact O-N 3.46Å; T246-M249 WeakPolarHBondContact OG1-CB 3.26Å; T246-M249 WeakPolarHBondContact OG1-CG 3.24Å; T246-M249 PolarHBondContact OG1-N 3.03Å; T246-R250 PolarHBondContact O-N 3.21Å; T246-R250 VanDerWaalsContact O-N 3.12Å |
| 247 | D | 93.9 | Very high | 92 | Very high | 115 Ų | 115 | 68 Ų | 68 | 62% | 0.615 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.8 | -43.3 | 177.7 | -60.3 | -57.9 | 0 | 0 | 0 | 111.9 | M249 R250 F251 | D247-M249 VanDerWaalsContact C-N 3.32Å; D247-M249 PolarHBondContact O-N 3.46Å; D247-R250 WeakPolarHBondContact O-CB 3.41Å; D247-R250 PolarHBondContact O-N 2.7Å; D247-R250 IonicContact OD1-CZ 2.93Å; D247-R250 IonicContact OD1-NH1 3.95Å; D247-R250 PolarHBondContact OD1-NH1 2.95Å; D247-R250 IonicContact OD1-NH2 3.97Å; D247-R250 PolarHBondContact OD1-NH2 2.85Å; D247-F251 PolarHBondContact O-N 3.4Å |
| 248 | F | 94.5 | Very high | 92.3 | Very high | 126 Ų | 126 | 70.6 Ų | 70.6 | 55% | 0.553 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -57.3 | -43.4 | 176.1 | 175.4 | -99.7 | 0 | 0 | 0 | 112.3 | P218 T246 R250 F251 Y252 | P218-F248 HydrophobicContact CG-CE1 4.39Å; T246-F248 VanDerWaalsContact C-N 3.33Å; T246-F248 PolarHBondContact O-N 3.38Å; F248-R250 VanDerWaalsContact C-N 3.35Å; F248-R250 PolarHBondContact O-N 3.05Å; F248-F251 WeakPolarHBondContact O-CB 3.47Å; F248-F251 PolarHBondContact O-N 3.29Å; F248-Y252 WeakPolarHBondContact O-CB 3.22Å; F248-Y252 PolarHBondContact O-N 3.43Å |
| 249 | M | 94.4 | Very high | 92.4 | Very high | 5 Ų | 5 | 74.7 Ų | 74.7 | 3% | 0.025 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -72.6 | -29 | -179.2 | -67.5 | -53.8 | -62 | 0 | 0 | 112.6 | P218 I221 A222 Q244 T246 D247 Y252 K253 | P218-M249 HydrophobicContact CB-CE 4.32Å; P218-M249 HydrophobicContact CB-SD 4.46Å; P218-M249 VanDerWaalsContact O-CE 3.32Å; P218-M249 WeakPolarHBondContact O-CE 3.37Å; I221-M249 HydrophobicContact CB-CE 3.93Å; I221-M249 HydrophobicContact CB-SD 4.3Å; I221-M249 HydrophobicContact CG2-CE 3.94Å; I221-M249 HydrophobicContact CG2-CG 4.1Å; I221-M249 HydrophobicContact CG2-SD 4.05Å; A222-M249 HydrophobicContact CB-CE 3.43Å; A222-M249 VanDerWaalsContact CB-CE 3.43Å; Q244-M249 HydrophobicContact CB-CB 3.78Å; Q244-M249 HydrophobicContact CG-CB 4.2Å; T246-M249 PolarHBondContact O-N 3.46Å; T246-M249 WeakPolarHBondContact OG1-CB 3.26Å; T246-M249 WeakPolarHBondContact OG1-CG 3.24Å; T246-M249 PolarHBondContact OG1-N 3.03Å; D247-M249 VanDerWaalsContact C-N 3.32Å; D247-M249 PolarHBondContact O-N 3.46Å; M249-Y252 HydrophobicContact CE-CD1 3.95Å; M249-K253 WeakPolarHBondContact O-CB 3.33Å; M249-K253 PolarHBondContact O-N 2.98Å |
| 250 | R | 94.3 | Very high | 92.5 | Very high | 120 Ų | 120 | 72.1 Ų | 72.1 | 45% | 0.453 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 169.3 | -80.9 | -175.9 | -97.8 | 107.6 | 1.8 | 111.6 | Q244 T246 D247 F248 K253 S254 | Q244-R250 HydrophobicContact CB-CG 3.8Å; Q244-R250 PolarHBondContact O-NE 3.03Å; T246-R250 PolarHBondContact O-N 3.21Å; T246-R250 VanDerWaalsContact O-N 3.12Å; D247-R250 WeakPolarHBondContact O-CB 3.41Å; D247-R250 PolarHBondContact O-N 2.7Å; D247-R250 IonicContact OD1-CZ 2.93Å; D247-R250 IonicContact OD1-NH1 3.95Å; D247-R250 PolarHBondContact OD1-NH1 2.95Å; D247-R250 IonicContact OD1-NH2 3.97Å; D247-R250 PolarHBondContact OD1-NH2 2.85Å; F248-R250 VanDerWaalsContact C-N 3.35Å; F248-R250 PolarHBondContact O-N 3.05Å; R250-K253 PolarHBondContact O-N 2.9Å; R250-S254 PolarHBondContact O-N 2.64Å |
| 251 | F | 94.7 | Very high | 92.6 | Very high | 137 Ų | 137 | 73.2 Ų | 73.2 | 60% | 0.601 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.4 | -49.3 | 172.4 | 171.6 | -101.8 | 0 | 0 | 0 | 111.3 | D247 F248 K253 S254 A255 | D247-F251 PolarHBondContact O-N 3.4Å; F248-F251 WeakPolarHBondContact O-CB 3.47Å; F248-F251 PolarHBondContact O-N 3.29Å; F251-K253 VanDerWaalsContact C-N 3.34Å; F251-K253 PolarHBondContact O-N 2.84Å; F251-S254 PolarHBondContact O-N 3.33Å; F251-A255 HydrophobicContact CE1-CB 4.16Å; F251-A255 HydrophobicContact CE2-CB 4.14Å; F251-A255 HydrophobicContact CZ-CB 3.92Å; F251-A255 WeakPolarHBondContact O-CB 3.41Å; F251-A255 PolarHBondContact O-N 3.44Å |
| 252 | Y | 94.4 | Very high | 92.9 | Very high | 14 Ų | 14 | 73.3 Ų | 73.3 | 6% | 0.055 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -55.4 | -47.3 | 178.1 | 175.3 | -100.6 | 0 | 0 | 0 | 111.6 | P218 E219 A222 L240 F248 M249 S254 A255 K256 | P218-Y252 HydrophobicContact CB-CD1 3.9Å; P218-Y252 HydrophobicContact CB-CD2 3.72Å; P218-Y252 HydrophobicContact CB-CE1 3.71Å; P218-Y252 HydrophobicContact CB-CE2 3.52Å; P218-Y252 HydrophobicContact CB-CG 3.91Å; P218-Y252 HydrophobicContact CG-CD2 4.27Å; P218-Y252 HydrophobicContact CG-CE2 4.12Å; E219-Y252 WeakPolarHBondContact CG-OH 3.09Å; E219-Y252 PolarHBondContact OE1-OH 3.31Å; E219-Y252 VanDerWaalsContact OE1-OH 3.05Å; A222-Y252 HydrophobicContact CB-CD1 4.38Å; A222-Y252 HydrophobicContact CB-CE1 4.25Å; L240-Y252 HydrophobicContact CD1-CE1 4.19Å; F248-Y252 WeakPolarHBondContact O-CB 3.22Å; F248-Y252 PolarHBondContact O-N 3.43Å; M249-Y252 HydrophobicContact CE-CD1 3.95Å; Y252-S254 VanDerWaalsContact C-N 3.3Å; Y252-S254 PolarHBondContact O-N 2.93Å; Y252-A255 PolarHBondContact O-N 2.87Å; Y252-K256 HydrophobicContact CE1-CB 4.46Å; Y252-K256 HydrophobicContact CE1-CD 4.08Å; Y252-K256 HydrophobicContact CE1-CG 4.42Å; Y252-K256 VanDerWaalsContact O-CA 3.28Å; Y252-K256 WeakPolarHBondContact O-CA 3.47Å; Y252-K256 WeakPolarHBondContact O-CB 3.48Å; Y252-K256 PolarHBondContact O-N 3Å |
| 253 | K | 93.2 | Very high | 93.3 | Very high | 84 Ų | 84 | 71.5 Ų | 71.5 | 37% | 0.365 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -53.4 | -47.1 | 175.4 | 170.2 | -179 | -178.3 | -151.9 | 0 | 112 | L240 P242 Q244 M249 R250 F251 | L240-K253 HydrophobicContact CD2-CB 3.97Å; L240-K253 HydrophobicContact CD2-CD 4.24Å; L240-K253 HydrophobicContact CD2-CG 3.61Å; P242-K253 PolarHBondContact O-NZ 2.95Å; Q244-K253 HydrophobicContact CG-CB 4.29Å; Q244-K253 HydrophobicContact CG-CD 4.42Å; M249-K253 WeakPolarHBondContact O-CB 3.33Å; M249-K253 PolarHBondContact O-N 2.98Å; R250-K253 PolarHBondContact O-N 2.9Å; F251-K253 VanDerWaalsContact C-N 3.34Å; F251-K253 PolarHBondContact O-N 2.84Å |
| 254 | S | 91.8 | Very high | 93.6 | Very high | 87 Ų | 87 | 67 Ų | 67 | 61% | 0.608 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -70.9 | -35.2 | -178.4 | -172.5 | 0 | 0 | 0 | 0 | 112.9 | R250 F251 Y252 | R250-S254 PolarHBondContact O-N 2.64Å; F251-S254 PolarHBondContact O-N 3.33Å; Y252-S254 VanDerWaalsContact C-N 3.3Å; Y252-S254 PolarHBondContact O-N 2.93Å |
| 255 | A | 94.4 | Very high | 93.7 | Very high | 23 Ų | 23 | 66.9 Ų | 66.9 | 19% | 0.19 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -94 | -9.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F251 Y252 D257 W258 W259 | F251-A255 HydrophobicContact CE1-CB 4.16Å; F251-A255 HydrophobicContact CE2-CB 4.14Å; F251-A255 HydrophobicContact CZ-CB 3.92Å; F251-A255 WeakPolarHBondContact O-CB 3.41Å; F251-A255 PolarHBondContact O-N 3.44Å; Y252-A255 PolarHBondContact O-N 2.87Å; A255-D257 PolarHBondContact O-N 3.33Å; A255-W258 PolarHBondContact O-N 2.92Å; A255-W259 VanDerWaalsContact O-CB 3.31Å; A255-W259 WeakPolarHBondContact O-CB 3.45Å; A255-W259 PolarHBondContact O-N 3.29Å |
| 256 | K | 94.1 | Very high | 94 | Very high | 16 Ų | 16 | 59.2 Ų | 59.2 | 7% | 0.07 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -51 | -52.8 | -167.2 | 171.1 | 174.3 | 170.6 | 163.7 | 0 | 113.2 | E219 L240 Y252 W259 L260 | E219-K256 WeakPolarHBondContact OE1-CE 3.41Å; E219-K256 IonicContact OE1-NZ 3.26Å; E219-K256 PolarHBondContact OE1-NZ 2.96Å; E219-K256 IonicContact OE2-NZ 2.95Å; E219-K256 PolarHBondContact OE2-NZ 3.37Å; L240-K256 HydrophobicContact CD1-CD 3.92Å; Y252-K256 HydrophobicContact CE1-CB 4.46Å; Y252-K256 HydrophobicContact CE1-CD 4.08Å; Y252-K256 HydrophobicContact CE1-CG 4.42Å; Y252-K256 VanDerWaalsContact O-CA 3.28Å; Y252-K256 WeakPolarHBondContact O-CA 3.47Å; Y252-K256 WeakPolarHBondContact O-CB 3.48Å; Y252-K256 PolarHBondContact O-N 3Å; K256-W259 WeakPolarHBondContact O-CB 3.41Å; K256-W259 PolarHBondContact O-N 3.18Å; K256-L260 HydrophobicContact CG-CD1 3.9Å; K256-L260 HydrophobicContact CG-CG 4.34Å; K256-L260 WeakPolarHBondContact O-CB 3.47Å; K256-L260 VanDerWaalsContact O-CG 3.24Å; K256-L260 WeakPolarHBondContact O-CG 3.27Å; K256-L260 PolarHBondContact O-N 3.43Å |
| 257 | D | 93.6 | Very high | 93.9 | Very high | 36 Ų | 36 | 60.2 Ų | 60.2 | 19% | 0.193 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.9 | -35.9 | -173.5 | -66.4 | -49.4 | 0 | 0 | 0 | 112.1 | A255 L260 F261 R326 I327 L330 | A255-D257 PolarHBondContact O-N 3.33Å; D257-L260 PolarHBondContact O-N 3.29Å; D257-F261 VanDerWaalsContact O-CB 3.31Å; D257-F261 WeakPolarHBondContact O-CB 3.27Å; D257-F261 PolarHBondContact O-N 2.89Å; D257-R326 HydrophobicContact CB-CB 4.35Å; D257-R326 IonicContact OD1-NH1 3.89Å; D257-I327 HydrophobicContact CB-CD1 4.23Å; D257-L330 HydrophobicContact CB-CD1 4.5Å |
| 258 | W | 95.3 | Very high | 93.7 | Very high | 117 Ų | 117 | 54.8 Ų | 54.8 | 44% | 0.443 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 170.7 | -74.2 | 114.2 | 0 | 0 | 0 | 112.8 | A255 F261 S262 I327 | A255-W258 PolarHBondContact O-N 2.92Å; W258-F261 HydrophobicContact CE3-CD1 4.35Å; W258-F261 HydrophobicContact CZ3-CD1 4.37Å; W258-F261 PolarHBondContact O-N 2.69Å; W258-S262 VanDerWaalsContact O-CB 3.3Å; W258-S262 WeakPolarHBondContact O-CB 3.46Å; W258-S262 PolarHBondContact O-N 2.83Å; W258-S262 PolarHBondContact O-OG 2.89Å; W258-I327 HydrophobicContact CD2-CD1 3.89Å; W258-I327 HydrophobicContact CE3-CD1 3.92Å; W258-I327 HydrophobicContact CG-CD1 4.42Å; W258-I327 HydrophobicContact CH2-CD1 4.34Å; W258-I327 HydrophobicContact CH2-CG2 4.01Å; W258-I327 HydrophobicContact CZ2-CD1 4.32Å; W258-I327 HydrophobicContact CZ2-CG2 4.22Å; W258-I327 HydrophobicContact CZ3-CD1 4.15Å |
| 259 | W | 95.2 | Very high | 93.5 | Very high | 98 Ų | 98 | 50.6 Ų | 50.6 | 37% | 0.371 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.2 | -48.6 | 173.6 | 162.6 | -105.7 | 0 | 0 | 0 | 110.6 | L215 A255 K256 F261 S262 A263 | L215-W259 HydrophobicContact CD1-CZ2 4.24Å; L215-W259 HydrophobicContact CD2-CH2 4.07Å; L215-W259 HydrophobicContact CD2-CZ2 3.68Å; L215-W259 HydrophobicContact CG-CZ2 4.38Å; A255-W259 VanDerWaalsContact O-CB 3.31Å; A255-W259 WeakPolarHBondContact O-CB 3.45Å; A255-W259 PolarHBondContact O-N 3.29Å; K256-W259 WeakPolarHBondContact O-CB 3.41Å; K256-W259 PolarHBondContact O-N 3.18Å; W259-F261 PolarHBondContact O-N 3.01Å; W259-S262 PolarHBondContact O-N 3.42Å; W259-A263 HydrophobicContact CD2-CB 4.07Å; W259-A263 HydrophobicContact CE3-CB 4.06Å; W259-A263 HydrophobicContact CH2-CB 3.62Å; W259-A263 HydrophobicContact CZ2-CB 3.59Å; W259-A263 HydrophobicContact CZ3-CB 3.86Å; W259-A263 VanDerWaalsContact O-CB 3.3Å; W259-A263 WeakPolarHBondContact O-CB 3.44Å; W259-A263 PolarHBondContact O-N 3.29Å |
| 260 | L | 94.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 178.7 | -74.3 | 175.6 | 0 | 0 | 0 | 111.2 | K165 K256 D257 Y264 H323 | K165-L260 HydrophobicContact CD-CD2 4.19Å; K256-L260 HydrophobicContact CG-CD1 3.9Å; K256-L260 HydrophobicContact CG-CG 4.34Å; K256-L260 WeakPolarHBondContact O-CB 3.47Å; K256-L260 VanDerWaalsContact O-CG 3.24Å; K256-L260 WeakPolarHBondContact O-CG 3.27Å; K256-L260 PolarHBondContact O-N 3.43Å; D257-L260 PolarHBondContact O-N 3.29Å; L260-Y264 HydrophobicContact CD2-CD2 3.58Å; L260-Y264 HydrophobicContact CD2-CE2 3.58Å; L260-Y264 HydrophobicContact CD2-CG 4.43Å; L260-Y264 WeakPolarHBondContact O-CA 3.48Å; L260-Y264 VanDerWaalsContact O-CB 3.28Å; L260-Y264 WeakPolarHBondContact O-CB 3.46Å; L260-Y264 PolarHBondContact O-N 3.05Å; L260-H323 PolarHBondContact O-CE1 3.08Å |
| 261 | F | 95.1 | Very high | 93.2 | Very high | 54 Ų | 54 | 49.5 Ų | 49.5 | 24% | 0.237 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -60 | -44.9 | 174.9 | 180 | -114.3 | 0 | 0 | 0 | 111.8 | D257 W258 W259 F265 C266 H323 I327 | D257-F261 VanDerWaalsContact O-CB 3.31Å; D257-F261 WeakPolarHBondContact O-CB 3.27Å; D257-F261 PolarHBondContact O-N 2.89Å; W258-F261 HydrophobicContact CE3-CD1 4.35Å; W258-F261 HydrophobicContact CZ3-CD1 4.37Å; W258-F261 PolarHBondContact O-N 2.69Å; W259-F261 PolarHBondContact O-N 3.01Å; F261-F265 HydrophobicContact CD2-CB 4.19Å; F261-F265 AromaticContact CD2-CD1 3.75Å; F261-F265 HydrophobicContact CD2-CD1 3.75Å; F261-F265 HydrophobicContact CD2-CG 4.24Å; F261-F265 AromaticContact CE2-CD1 3.35Å; F261-F265 HydrophobicContact CE2-CD1 3.35Å; F261-F265 AromaticContact CE2-CE1 3.74Å; F261-F265 HydrophobicContact CE2-CE1 3.74Å; F261-F265 HydrophobicContact CE2-CG 4.24Å; F261-F265 HydrophobicContact CZ-CD1 4.16Å; F261-F265 HydrophobicContact CZ-CE1 4.42Å; F261-F265 CarbonylContact O-C 3.59Å; F261-F265 WeakPolarHBondContact O-CA 3.35Å; F261-F265 VanDerWaalsContact O-CB 3.24Å; F261-F265 WeakPolarHBondContact O-CB 3.35Å; F261-F265 PolarHBondContact O-N 3.11Å; F261-F265 VanDerWaalsContact O-N 3.14Å; F261-C266 VanDerWaalsContact CE1-SG 3.5Å; F261-C266 PolarHBondContact O-N 2.72Å; F261-H323 HydrophobicContact CD2-CB 3.82Å; F261-H323 HydrophobicContact CE2-CB 4.46Å; F261-I327 HydrophobicContact CB-CD1 4.49Å |
| 262 | S | 94.1 | Very high | 92.8 | Very high | 59 Ų | 59 | 43.3 Ų | 43.3 | 41% | 0.413 | 23% | 0.229 | S | C | . | . | I | π-helix | trans | -69.7 | -52.8 | -178.1 | -56 | 0 | 0 | 0 | 0 | 112.1 | W258 W259 C266 L267 | W258-S262 VanDerWaalsContact O-CB 3.3Å; W258-S262 WeakPolarHBondContact O-CB 3.46Å; W258-S262 PolarHBondContact O-N 2.83Å; W258-S262 PolarHBondContact O-OG 2.89Å; W259-S262 PolarHBondContact O-N 3.42Å; S262-C266 PolarHBondContact O-N 2.99Å; S262-L267 WeakPolarHBondContact O-CB 3.43Å; S262-L267 PolarHBondContact O-N 3.26Å |
| 263 | A | 92.8 | Very high | 92.4 | Very high | 12 Ų | 12 | 45 Ų | 45 | 10% | 0.099 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -80 | -36.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | W259 L267 | W259-A263 HydrophobicContact CD2-CB 4.07Å; W259-A263 HydrophobicContact CE3-CB 4.06Å; W259-A263 HydrophobicContact CH2-CB 3.62Å; W259-A263 HydrophobicContact CZ2-CB 3.59Å; W259-A263 HydrophobicContact CZ3-CB 3.86Å; W259-A263 VanDerWaalsContact O-CB 3.3Å; W259-A263 WeakPolarHBondContact O-CB 3.44Å; W259-A263 PolarHBondContact O-N 3.29Å; A263-L267 WeakPolarHBondContact O-CB 3.46Å |
| 264 | Y | 93.1 | Very high | 92.2 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 2% | 0.024 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -100.5 | -14.1 | -176.4 | -64.7 | -98.1 | 0 | 0 | 0 | 113.5 | V168 G169 V172 L215 L260 P268 F315 | V168-Y264 HydrophobicContact CB-CD1 4.01Å; V168-Y264 HydrophobicContact CB-CE1 4.17Å; V168-Y264 HydrophobicContact CG1-CD1 3.61Å; V168-Y264 HydrophobicContact CG1-CE1 4.28Å; V168-Y264 HydrophobicContact CG1-CG 4.37Å; G169-Y264 VanDerWaalsContact CA-CE1 3.46Å; V172-Y264 WeakPolarHBondContact CG1-O 3.22Å; V172-Y264 HydrophobicContact CG2-CD1 3.9Å; L215-Y264 WeakPolarHBondContact CB-OH 3.33Å; L260-Y264 HydrophobicContact CD2-CD2 3.58Å; L260-Y264 HydrophobicContact CD2-CE2 3.58Å; L260-Y264 HydrophobicContact CD2-CG 4.43Å; L260-Y264 WeakPolarHBondContact O-CA 3.48Å; L260-Y264 VanDerWaalsContact O-CB 3.28Å; L260-Y264 WeakPolarHBondContact O-CB 3.46Å; L260-Y264 PolarHBondContact O-N 3.05Å; Y264-P268 WeakPolarHBondContact O-CG 3.26Å; Y264-F315 WeakPolarHBondContact O-CZ 3.43Å |
| 265 | F | 93.3 | Very high | 91.9 | Very high | 17 Ų | 17 | 43.2 Ų | 43.2 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -118 | -58.4 | 178 | -177.4 | -96.7 | 0 | 0 | 0 | 112.8 | F261 P268 L269 F315 W319 L320 H323 | F261-F265 HydrophobicContact CD2-CB 4.19Å; F261-F265 AromaticContact CD2-CD1 3.75Å; F261-F265 HydrophobicContact CD2-CD1 3.75Å; F261-F265 HydrophobicContact CD2-CG 4.24Å; F261-F265 AromaticContact CE2-CD1 3.35Å; F261-F265 HydrophobicContact CE2-CD1 3.35Å; F261-F265 AromaticContact CE2-CE1 3.74Å; F261-F265 HydrophobicContact CE2-CE1 3.74Å; F261-F265 HydrophobicContact CE2-CG 4.24Å; F261-F265 HydrophobicContact CZ-CD1 4.16Å; F261-F265 HydrophobicContact CZ-CE1 4.42Å; F261-F265 CarbonylContact O-C 3.59Å; F261-F265 WeakPolarHBondContact O-CA 3.35Å; F261-F265 VanDerWaalsContact O-CB 3.24Å; F261-F265 WeakPolarHBondContact O-CB 3.35Å; F261-F265 PolarHBondContact O-N 3.11Å; F261-F265 VanDerWaalsContact O-N 3.14Å; F265-P268 VanDerWaalsContact O-CD 3.3Å; F265-P268 WeakPolarHBondContact O-CD 3.49Å; F265-P268 VanDerWaalsContact O-CG 3.3Å; F265-P268 WeakPolarHBondContact O-CG 3.33Å; F265-L269 HydrophobicContact CD1-CD1 3.98Å; F265-L269 HydrophobicContact CD2-CD1 4.29Å; F265-L269 HydrophobicContact CE1-CD1 3.58Å; F265-L269 HydrophobicContact CE2-CD1 3.93Å; F265-L269 HydrophobicContact CG-CD1 4.32Å; F265-L269 HydrophobicContact CZ-CD1 3.56Å; F265-L269 VanDerWaalsContact O-CG 3.27Å; F265-L269 WeakPolarHBondContact O-CG 3.46Å; F265-L269 PolarHBondContact O-N 3.31Å; F265-F315 HydrophobicContact CD2-CE1 4.33Å; F265-W319 HydrophobicContact CD2-CB 3.82Å; F265-W319 HydrophobicContact CE2-CB 4.1Å; F265-L320 HydrophobicContact CE1-CD1 4.33Å; F265-L320 HydrophobicContact CE2-CB 4.09Å; F265-L320 HydrophobicContact CZ-CB 4.01Å; F265-L320 HydrophobicContact CZ-CD1 3.91Å; F265-H323 AromaticContact CD2-CD2 3.94Å |
| 266 | C | 94.4 | Very high | 91.3 | Very high | 41 Ų | 41 | 45.3 Ų | 45.3 | 28% | 0.277 | 23% | 0.234 | S | C | . | . | I | π-helix | trans | -67.3 | -45.1 | -177.3 | -63.3 | 0 | 0 | 0 | 0 | 112.9 | F261 S262 L269 T270 | F261-C266 VanDerWaalsContact CE1-SG 3.5Å; F261-C266 PolarHBondContact O-N 2.72Å; S262-C266 PolarHBondContact O-N 2.99Å; C266-L269 PolarHBondContact O-N 2.92Å; C266-T270 WeakPolarHBondContact O-CB 3.27Å; C266-T270 PolarHBondContact O-N 2.84Å; C266-T270 PolarHBondContact O-OG1 2.65Å |
| 267 | L | 91 | Very high | 90.8 | Very high | 95 Ų | 95 | 48.3 Ų | 48.3 | 50% | 0.497 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -55.1 | -53.1 | 179.8 | 178.2 | 70.7 | 0 | 0 | 0 | 113.2 | S262 A263 L269 T270 C271 | S262-L267 WeakPolarHBondContact O-CB 3.43Å; S262-L267 PolarHBondContact O-N 3.26Å; A263-L267 WeakPolarHBondContact O-CB 3.46Å; L267-L269 PolarHBondContact O-N 3.45Å; L267-T270 PolarHBondContact O-N 3.42Å; L267-C271 WeakPolarHBondContact O-CB 3.38Å; L267-C271 PolarHBondContact O-N 3.44Å |
| 268 | P | 89.7 | Confident | 90.4 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.013 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.2 | -37.2 | 178.8 | 24.4 | -34.1 | 0 | 0 | 0 | 112.9 | V172 C176 Y264 F265 T272 F315 | V172-P268 HydrophobicContact CB-CB 4.22Å; V172-P268 HydrophobicContact CB-CG 4.06Å; V172-P268 HydrophobicContact CG1-CG 4.22Å; C176-P268 VanDerWaalsContact SG-CA 3.56Å; Y264-P268 WeakPolarHBondContact O-CG 3.26Å; F265-P268 VanDerWaalsContact O-CD 3.3Å; F265-P268 WeakPolarHBondContact O-CD 3.49Å; F265-P268 VanDerWaalsContact O-CG 3.3Å; F265-P268 WeakPolarHBondContact O-CG 3.33Å; P268-T272 VanDerWaalsContact O-CB 3.29Å; P268-T272 WeakPolarHBondContact O-CB 3.35Å; P268-T272 WeakPolarHBondContact O-CG2 3.29Å; P268-T272 PolarHBondContact O-N 3.47Å; P268-T272 PolarHBondContact O-OG1 3.31Å; P268-F315 HydrophobicContact CB-CE1 4.33Å; P268-F315 HydrophobicContact CG-CE1 3.75Å; P268-F315 HydrophobicContact CG-CZ 3.88Å |
| 269 | L | 90.7 | Very high | 89.6 | Confident | 37 Ų | 37 | 44.8 Ų | 44.8 | 19% | 0.194 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.8 | -46.8 | 176.1 | -68.3 | 179.5 | 0 | 0 | 0 | 111.9 | F265 C266 L267 T272 A273 V312 F315 A316 | F265-L269 HydrophobicContact CD1-CD1 3.98Å; F265-L269 HydrophobicContact CD2-CD1 4.29Å; F265-L269 HydrophobicContact CE1-CD1 3.58Å; F265-L269 HydrophobicContact CE2-CD1 3.93Å; F265-L269 HydrophobicContact CG-CD1 4.32Å; F265-L269 HydrophobicContact CZ-CD1 3.56Å; F265-L269 VanDerWaalsContact O-CG 3.27Å; F265-L269 WeakPolarHBondContact O-CG 3.46Å; F265-L269 PolarHBondContact O-N 3.31Å; C266-L269 PolarHBondContact O-N 2.92Å; L267-L269 PolarHBondContact O-N 3.45Å; L269-T272 PolarHBondContact O-OG1 2.77Å; L269-A273 WeakPolarHBondContact O-CB 3.43Å; L269-A273 PolarHBondContact O-N 3.27Å; L269-V312 HydrophobicContact CD2-CG1 3.77Å; L269-F315 HydrophobicContact CD2-CD1 3.92Å; L269-F315 HydrophobicContact CD2-CE1 4.36Å; L269-F315 HydrophobicContact CG-CD1 4.44Å; L269-F315 HydrophobicContact CG-CE1 4.39Å; L269-A316 HydrophobicContact CD1-CB 4.35Å; L269-A316 HydrophobicContact CD2-CB 3.91Å |
| 270 | T | 91.6 | Very high | 88.7 | Confident | 80 Ų | 80 | 42.3 Ų | 42.3 | 49% | 0.491 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.3 | -44.9 | 177.7 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | C266 L267 A273 I274 | C266-T270 WeakPolarHBondContact O-CB 3.27Å; C266-T270 PolarHBondContact O-N 2.84Å; C266-T270 PolarHBondContact O-OG1 2.65Å; L267-T270 PolarHBondContact O-N 3.42Å; T270-A273 PolarHBondContact O-N 3.19Å; T270-I274 HydrophobicContact CG2-CD1 3.72Å; T270-I274 HydrophobicContact CG2-CG1 4.39Å; T270-I274 WeakPolarHBondContact O-CB 3.38Å; T270-I274 WeakPolarHBondContact O-CG1 3.08Å; T270-I274 PolarHBondContact O-N 2.9Å |
| 271 | C | 90.5 | Very high | 88 | Confident | 23 Ų | 23 | 45.6 Ų | 45.6 | 16% | 0.155 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.7 | -51.6 | 177.6 | -176.5 | 0 | 0 | 0 | 0 | 111.1 | C176 L267 I274 F275 | C176-C271 HydrophobicContact CB-CB 4.48Å; L267-C271 WeakPolarHBondContact O-CB 3.38Å; L267-C271 PolarHBondContact O-N 3.44Å; C271-I274 PolarHBondContact O-N 3.18Å; C271-F275 WeakPolarHBondContact O-CD2 3.25Å; C271-F275 PolarHBondContact O-N 2.94Å |
| 272 | T | 85.4 | Confident | 87.2 | Confident | 6 Ų | 6 | 44.3 Ų | 44.3 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 179.8 | 57.8 | 0 | 0 | 0 | 0 | 112 | S179 P268 L269 F275 Y276 V312 | S179-T272 WeakPolarHBondContact OG-CG2 3.49Å; P268-T272 VanDerWaalsContact O-CB 3.29Å; P268-T272 WeakPolarHBondContact O-CB 3.35Å; P268-T272 WeakPolarHBondContact O-CG2 3.29Å; P268-T272 PolarHBondContact O-N 3.47Å; P268-T272 PolarHBondContact O-OG1 3.31Å; L269-T272 PolarHBondContact O-OG1 2.77Å; T272-F275 PolarHBondContact O-N 3.06Å; T272-Y276 WeakPolarHBondContact O-CB 3.45Å; T272-Y276 PolarHBondContact O-N 3.18Å; T272-V312 HydrophobicContact CG2-CG2 3.69Å; T272-V312 WeakPolarHBondContact OG1-CG1 3.48Å; T272-V312 WeakPolarHBondContact OG1-CG2 3.47Å |
| 273 | A | 86.7 | Confident | 86 | Confident | 50 Ų | 50 | 43 Ų | 43 | 41% | 0.413 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.2 | -44.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L269 T270 T277 | L269-A273 WeakPolarHBondContact O-CB 3.43Å; L269-A273 PolarHBondContact O-N 3.27Å; T270-A273 PolarHBondContact O-N 3.19Å; A273-T277 VanDerWaalsContact O-CB 3.31Å; A273-T277 WeakPolarHBondContact O-CB 3.37Å; A273-T277 PolarHBondContact O-N 3.43Å; A273-T277 PolarHBondContact O-OG1 3.33Å |
| 274 | I | 89.6 | Confident | 85 | Confident | 87 Ų | 87 | 47.3 Ų | 47.3 | 45% | 0.446 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.4 | -55 | 177.2 | -69.9 | 167.5 | 0 | 0 | 0 | 110.1 | T270 C271 Y276 T277 L278 | T270-I274 HydrophobicContact CG2-CD1 3.72Å; T270-I274 HydrophobicContact CG2-CG1 4.39Å; T270-I274 WeakPolarHBondContact O-CB 3.38Å; T270-I274 WeakPolarHBondContact O-CG1 3.08Å; T270-I274 PolarHBondContact O-N 2.9Å; C271-I274 PolarHBondContact O-N 3.18Å; I274-Y276 VanDerWaalsContact C-N 3.3Å; I274-Y276 PolarHBondContact O-N 3.32Å; I274-T277 PolarHBondContact O-N 3.12Å; I274-L278 HydrophobicContact CG2-CD1 3.91Å; I274-L278 HydrophobicContact CG2-CG 4.37Å; I274-L278 WeakPolarHBondContact O-CG 3.23Å; I274-L278 PolarHBondContact O-N 3.05Å |
| 275 | F | 85.8 | Confident | 83.9 | Confident | 47 Ų | 47 | 55.2 Ų | 55.2 | 21% | 0.206 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.1 | -33 | -177.1 | -76.7 | -66 | 0 | 0 | 0 | 112.8 | I180 Y183 C271 T272 L278 M279 | I180-F275 HydrophobicContact CD1-CE2 3.92Å; I180-F275 HydrophobicContact CD1-CZ 4.25Å; I180-F275 HydrophobicContact CG1-CD1 4.41Å; I180-F275 HydrophobicContact CG1-CD2 3.62Å; I180-F275 HydrophobicContact CG1-CE1 4.14Å; I180-F275 HydrophobicContact CG1-CE2 3.32Å; I180-F275 HydrophobicContact CG1-CG 4.19Å; I180-F275 HydrophobicContact CG1-CZ 3.61Å; Y183-F275 AromaticContact CD1-CD1 3.6Å; Y183-F275 HydrophobicContact CD1-CD1 3.6Å; Y183-F275 AromaticContact CD1-CE1 3.84Å; Y183-F275 HydrophobicContact CD1-CE1 3.84Å; Y183-F275 HydrophobicContact CE1-CD1 4.31Å; Y183-F275 HydrophobicContact CE1-CE1 4.29Å; Y183-F275 AromaticContact CG-CD1 3.74Å; Y183-F275 HydrophobicContact CG-CD1 3.74Å; Y183-F275 HydrophobicContact CG-CE1 4.44Å; C271-F275 WeakPolarHBondContact O-CD2 3.25Å; C271-F275 PolarHBondContact O-N 2.94Å; T272-F275 PolarHBondContact O-N 3.06Å; F275-L278 HydrophobicContact CD1-CD1 4.42Å; F275-M279 WeakPolarHBondContact O-CB 3.29Å; F275-M279 PolarHBondContact O-N 3.02Å |
| 276 | Y | 80.8 | Confident | 82.5 | Confident | 66 Ų | 66 | 58.5 Ų | 58.5 | 26% | 0.259 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 173.5 | -177.1 | -99.4 | 0 | 0 | 0 | 112.1 | T272 I274 M279 T280 A305 F309 | T272-Y276 WeakPolarHBondContact O-CB 3.45Å; T272-Y276 PolarHBondContact O-N 3.18Å; I274-Y276 VanDerWaalsContact C-N 3.3Å; I274-Y276 PolarHBondContact O-N 3.32Å; Y276-M279 PolarHBondContact O-N 3.44Å; Y276-T280 WeakPolarHBondContact O-CB 3.46Å; Y276-T280 PolarHBondContact O-N 2.85Å; Y276-T280 PolarHBondContact O-OG1 3.21Å; Y276-A305 HydrophobicContact CE2-CB 3.95Å; Y276-A305 WeakPolarHBondContact CE2-O 3.18Å; Y276-F309 HydrophobicContact CE1-CD2 4.19Å; Y276-F309 HydrophobicContact CE2-CB 3.98Å |
| 277 | T | 83.4 | Confident | 80.7 | Confident | 79 Ų | 79 | 63.9 Ų | 63.9 | 49% | 0.485 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.1 | -49.5 | 175.9 | -57.1 | 0 | 0 | 0 | 0 | 110.1 | A273 I274 M279 T280 C281 | A273-T277 VanDerWaalsContact O-CB 3.31Å; A273-T277 WeakPolarHBondContact O-CB 3.37Å; A273-T277 PolarHBondContact O-N 3.43Å; A273-T277 PolarHBondContact O-OG1 3.33Å; I274-T277 PolarHBondContact O-N 3.12Å; T277-M279 VanDerWaalsContact C-N 3.34Å; T277-M279 PolarHBondContact O-N 3.45Å; T277-T280 PolarHBondContact O-N 2.87Å; T277-C281 WeakPolarHBondContact O-CB 3.11Å; T277-C281 PolarHBondContact O-N 3.47Å; T277-C281 PolarHBondContact O-SG 3.33Å |
| 278 | L | 84.7 | Confident | 78.9 | Confident | 73 Ų | 73 | 66.7 Ų | 66.7 | 38% | 0.382 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.5 | -43.3 | 176.6 | -67.1 | 175.2 | 0 | 0 | 0 | 112.2 | Y183 I274 F275 T280 C281 E282 | Y183-L278 HydrophobicContact CD2-CB 3.84Å; Y183-L278 HydrophobicContact CE2-CB 3.45Å; Y183-L278 VanDerWaalsContact CE2-CB 3.45Å; Y183-L278 HydrophobicContact CE2-CD1 4.4Å; I274-L278 HydrophobicContact CG2-CD1 3.91Å; I274-L278 HydrophobicContact CG2-CG 4.37Å; I274-L278 WeakPolarHBondContact O-CG 3.23Å; I274-L278 PolarHBondContact O-N 3.05Å; F275-L278 HydrophobicContact CD1-CD1 4.42Å; L278-T280 PolarHBondContact O-N 3.41Å; L278-C281 PolarHBondContact O-N 3.28Å; L278-E282 WeakPolarHBondContact O-CB 3.33Å; L278-E282 PolarHBondContact O-N 2.9Å |
| 279 | M | 78.9 | Confident | 77.2 | Confident | 7 Ų | 7 | 69 Ų | 69 | 3% | 0.034 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.6 | -46 | 175.4 | 180 | -176.6 | 172.5 | 0 | 0 | 111.3 | R182 Y183 V186 F275 Y276 T277 E282 M283 A305 | R182-M279 HydrophobicContact CB-SD 4.32Å; Y183-M279 HydrophobicContact CD2-CB 4.23Å; V186-M279 HydrophobicContact CB-CG 4.24Å; V186-M279 HydrophobicContact CG1-CG 4.41Å; V186-M279 HydrophobicContact CG2-CE 3.62Å; V186-M279 HydrophobicContact CG2-CG 3.82Å; V186-M279 HydrophobicContact CG2-SD 4.28Å; F275-M279 WeakPolarHBondContact O-CB 3.29Å; F275-M279 PolarHBondContact O-N 3.02Å; Y276-M279 PolarHBondContact O-N 3.44Å; T277-M279 VanDerWaalsContact C-N 3.34Å; T277-M279 PolarHBondContact O-N 3.45Å; M279-E282 PolarHBondContact O-N 3.46Å; M279-M283 HydrophobicContact CE-SD 4.01Å; M279-M283 HydrophobicContact CG-SD 4.28Å; M279-M283 VanDerWaalsContact O-CG 3.27Å; M279-M283 WeakPolarHBondContact O-CG 3.45Å; M279-M283 PolarHBondContact O-N 3.28Å; M279-A305 HydrophobicContact CE-CB 3.67Å; M279-A305 HydrophobicContact SD-CB 4.29Å |
| 280 | T | 75.9 | Confident | 75.2 | Confident | 46 Ų | 46 | 73.6 Ų | 73.6 | 28% | 0.282 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.5 | -45.1 | -179.6 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | Y276 T277 L278 E282 M283 L284 | Y276-T280 WeakPolarHBondContact O-CB 3.46Å; Y276-T280 PolarHBondContact O-N 2.85Å; Y276-T280 PolarHBondContact O-OG1 3.21Å; T277-T280 PolarHBondContact O-N 2.87Å; L278-T280 PolarHBondContact O-N 3.41Å; T280-E282 VanDerWaalsContact C-N 3.34Å; T280-E282 PolarHBondContact O-N 3.02Å; T280-M283 PolarHBondContact O-N 2.93Å; T280-L284 HydrophobicContact CG2-CD1 4.05Å; T280-L284 HydrophobicContact CG2-CG 4.45Å; T280-L284 VanDerWaalsContact O-CG 3.3Å; T280-L284 WeakPolarHBondContact O-CG 3.19Å; T280-L284 PolarHBondContact O-N 3.31Å |
| 281 | C | 81.2 | Confident | 73.1 | Confident | 70 Ų | 70 | 77 Ų | 77 | 47% | 0.473 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.7 | -45 | 176.1 | -69 | 0 | 0 | 0 | 0 | 111.6 | T277 L278 M283 L284 R285 | T277-C281 WeakPolarHBondContact O-CB 3.11Å; T277-C281 PolarHBondContact O-N 3.47Å; T277-C281 PolarHBondContact O-SG 3.33Å; L278-C281 PolarHBondContact O-N 3.28Å; C281-M283 VanDerWaalsContact C-N 3.34Å; C281-M283 PolarHBondContact O-N 2.92Å; C281-L284 PolarHBondContact O-N 3.06Å; C281-R285 WeakPolarHBondContact O-CB 3.3Å; C281-R285 PolarHBondContact O-N 3.18Å |
| 282 | E | 77.4 | Confident | 71.2 | Confident | 27 Ų | 27 | 83.6 Ų | 83.6 | 13% | 0.126 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66.3 | -37.6 | 178.7 | -174.1 | 63.5 | -172.5 | 0 | 0 | 112.2 | V186 V187 L278 M279 T280 L284 R285 K286 | V186-E282 HydrophobicContact CG1-CB 4.41Å; V186-E282 HydrophobicContact CG1-CG 4.27Å; V187-E282 HydrophobicContact CG2-CG 4.13Å; L278-E282 WeakPolarHBondContact O-CB 3.33Å; L278-E282 PolarHBondContact O-N 2.9Å; M279-E282 PolarHBondContact O-N 3.46Å; T280-E282 VanDerWaalsContact C-N 3.34Å; T280-E282 PolarHBondContact O-N 3.02Å; E282-L284 VanDerWaalsContact C-N 3.34Å; E282-R285 VanDerWaalsContact CD-NH2 3.3Å; E282-R285 PolarHBondContact O-N 2.99Å; E282-R285 IonicContact OE1-CZ 3.86Å; E282-R285 IonicContact OE1-NE 3.8Å; E282-R285 IonicContact OE1-NH2 2.73Å; E282-R285 PolarHBondContact OE1-NH2 2.9Å; E282-R285 IonicContact OE2-CZ 2.94Å; E282-R285 VanDerWaalsContact OE2-CZ 3.26Å; E282-R285 IonicContact OE2-NE 3.72Å; E282-R285 PolarHBondContact OE2-NE 2.77Å; E282-R285 IonicContact OE2-NH2 2.75Å; E282-R285 PolarHBondContact OE2-NH2 3.18Å; E282-K286 PolarHBondContact O-N 2.95Å; E282-K286 VanDerWaalsContact OE1-CE 3.22Å; E282-K286 WeakPolarHBondContact OE1-CE 3.47Å; E282-K286 IonicContact OE1-NZ 3.47Å |
| 283 | M | 69.2 | Low | 69.4 | Low | 33 Ų | 33 | 87.4 Ų | 87.4 | 16% | 0.163 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -65 | -37.3 | 174.1 | -74.1 | -178.7 | 62.3 | 0 | 0 | 112.5 | V186 M279 T280 C281 I298 R301 | V186-M283 HydrophobicContact CG1-CG 3.77Å; M279-M283 HydrophobicContact CE-SD 4.01Å; M279-M283 HydrophobicContact CG-SD 4.28Å; M279-M283 VanDerWaalsContact O-CG 3.27Å; M279-M283 WeakPolarHBondContact O-CG 3.45Å; M279-M283 PolarHBondContact O-N 3.28Å; T280-M283 PolarHBondContact O-N 2.93Å; C281-M283 VanDerWaalsContact C-N 3.34Å; C281-M283 PolarHBondContact O-N 2.92Å; M283-I298 HydrophobicContact CE-CG2 4.46Å; M283-R301 HydrophobicContact CE-CB 3.54Å; M283-R301 HydrophobicContact SD-CB 4.09Å |
| 284 | L | 71.3 | Confident | 67.8 | Low | 102 Ų | 102 | 88.3 Ų | 88.3 | 53% | 0.534 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.4 | -40.8 | 176.7 | -69.7 | 171.5 | 0 | 0 | 0 | 111.6 | T280 C281 E282 K286 K287 | T280-L284 HydrophobicContact CG2-CD1 4.05Å; T280-L284 HydrophobicContact CG2-CG 4.45Å; T280-L284 VanDerWaalsContact O-CG 3.3Å; T280-L284 WeakPolarHBondContact O-CG 3.19Å; T280-L284 PolarHBondContact O-N 3.31Å; C281-L284 PolarHBondContact O-N 3.06Å; E282-L284 VanDerWaalsContact C-N 3.34Å; L284-K286 VanDerWaalsContact C-N 3.33Å; L284-K286 PolarHBondContact O-N 3Å; L284-K287 VanDerWaalsContact O-CB 3.23Å; L284-K287 WeakPolarHBondContact O-CB 3.48Å; L284-K287 PolarHBondContact O-N 2.84Å |
| 285 | R | 70.9 | Confident | 66.1 | Low | 172 Ų | 172 | 87.5 Ų | 87.5 | 65% | 0.649 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.1 | -41.1 | 178.3 | -168.1 | 171.5 | 70.3 | 126 | 4.2 | 112.5 | C281 E282 K287 N288 | C281-R285 WeakPolarHBondContact O-CB 3.3Å; C281-R285 PolarHBondContact O-N 3.18Å; E282-R285 VanDerWaalsContact CD-NH2 3.3Å; E282-R285 PolarHBondContact O-N 2.99Å; E282-R285 IonicContact OE1-CZ 3.86Å; E282-R285 IonicContact OE1-NE 3.8Å; E282-R285 IonicContact OE1-NH2 2.73Å; E282-R285 PolarHBondContact OE1-NH2 2.9Å; E282-R285 IonicContact OE2-CZ 2.94Å; E282-R285 VanDerWaalsContact OE2-CZ 3.26Å; E282-R285 IonicContact OE2-NE 3.72Å; E282-R285 PolarHBondContact OE2-NE 2.77Å; E282-R285 IonicContact OE2-NH2 2.75Å; E282-R285 PolarHBondContact OE2-NH2 3.18Å; R285-K287 PolarHBondContact O-N 2.9Å; R285-N288 PolarHBondContact O-N 3.22Å |
| 286 | K | 63.2 | Low | 64.6 | Low | 85 Ų | 85 | 90.7 Ų | 90.7 | 37% | 0.37 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -72.7 | -12 | 176.8 | -71.3 | -176.2 | 179.2 | 176.4 | 0 | 114.2 | E282 L284 N288 | E282-K286 PolarHBondContact O-N 2.95Å; E282-K286 VanDerWaalsContact OE1-CE 3.22Å; E282-K286 WeakPolarHBondContact OE1-CE 3.47Å; E282-K286 IonicContact OE1-NZ 3.47Å; L284-K286 VanDerWaalsContact C-N 3.33Å; L284-K286 PolarHBondContact O-N 3Å; K286-N288 VanDerWaalsContact C-N 3.28Å; K286-N288 PolarHBondContact O-N 3.42Å |
| 287 | K | 56.3 | Low | 63.3 | Low | 155 Ų | 155 | 92.3 Ų | 92.3 | 67% | 0.674 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -75 | -19 | 177.4 | -154.4 | -178.5 | 176.6 | -168.3 | 0 | 112.6 | L284 R285 | L284-K287 VanDerWaalsContact O-CB 3.23Å; L284-K287 WeakPolarHBondContact O-CB 3.48Å; L284-K287 PolarHBondContact O-N 2.84Å; R285-K287 PolarHBondContact O-N 2.9Å |
| 288 | N | 54.6 | Low | 62 | Low | 154 Ų | 154 | 91.2 Ų | 91.2 | 82% | 0.824 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -89.2 | 2.1 | 179.7 | -70.6 | 1.8 | 0 | 0 | 0 | 113.9 | R285 K286 | R285-N288 PolarHBondContact O-N 3.22Å; K286-N288 VanDerWaalsContact C-N 3.28Å; K286-N288 PolarHBondContact O-N 3.42Å |
| 289 | G | 52.4 | Low | 60.7 | Low | 49 Ų | 49 | 94.3 Ų | 94.3 | 51% | 0.505 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -133 | 93.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 290 | V | 49.8 | Very low | 59.7 | Low | 134 Ų | 134 | 101 Ų | 101 | 81% | 0.812 | 53% | 0.531 | S | S | * | . | S | Bend | trans | 54.3 | 97.2 | 150.3 | -175.4 | 0 | 0 | 0 | 0 | 118.2 | ||
| 291 | Q | 47.3 | Very low | 58.9 | Low | 151 Ų | 151 | 101.5 Ų | 101.5 | 71% | 0.706 | 53% | 0.528 | S | S | * | . | 150.5 | 127.2 | 120.1 | -100.7 | -167.7 | 7.5 | 0 | 0 | 113.8 | A293 L294 | Q291-A293 PolarHBondContact O-N 3.48Å; Q291-L294 WeakPolarHBondContact O-CB 3.39Å; Q291-L294 PolarHBondContact O-N 3.49Å; Q291-L294 VanDerWaalsContact O-N 3.13Å | |||
| 292 | I | 51.3 | Low | 57.9 | Low | 162 Ų | 162 | 105.9 Ų | 105.9 | 83% | 0.831 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -65.1 | -15.9 | -176.6 | -67.2 | 159.3 | 0 | 0 | 0 | 113.2 | S295 | I292-S295 PolarHBondContact O-OG 3.17Å; I292-S295 VanDerWaalsContact O-OG 3.08Å |
| 293 | A | 47.7 | Very low | 57.2 | Low | 86 Ų | 86 | 109 Ų | 109 | 71% | 0.711 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -77.8 | -13.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q291 S295 | Q291-A293 PolarHBondContact O-N 3.48Å; A293-S295 VanDerWaalsContact C-N 3.28Å; A293-S295 PolarHBondContact O-N 2.85Å |
| 294 | L | 52.3 | Low | 56.7 | Low | 69 Ų | 69 | 110 Ų | 110 | 36% | 0.361 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -86.2 | 6.7 | 176.9 | -164 | 64.5 | 0 | 0 | 0 | 112.6 | Q291 Q297 I298 | Q291-L294 WeakPolarHBondContact O-CB 3.39Å; Q291-L294 PolarHBondContact O-N 3.49Å; Q291-L294 VanDerWaalsContact O-N 3.13Å; L294-Q297 HydrophobicContact CD1-CB 4.05Å; L294-I298 HydrophobicContact CB-CD1 4.19Å; L294-I298 HydrophobicContact CD2-CD1 3.86Å; L294-I298 HydrophobicContact CD2-CG1 4.3Å; L294-I298 HydrophobicContact CG-CD1 3.78Å; L294-I298 HydrophobicContact CG-CG1 3.98Å; L294-I298 WeakPolarHBondContact O-CB 3.35Å; L294-I298 WeakPolarHBondContact O-CD1 3.48Å; L294-I298 WeakPolarHBondContact O-CG1 3.43Å; L294-I298 PolarHBondContact O-N 3.5Å |
| 295 | S | 53.8 | Low | 56.3 | Low | 70 Ų | 70 | 105.5 Ų | 105.5 | 49% | 0.49 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65 | -41 | -177.5 | 54.5 | 0 | 0 | 0 | 0 | 112.7 | I292 A293 K299 | I292-S295 PolarHBondContact O-OG 3.17Å; I292-S295 VanDerWaalsContact O-OG 3.08Å; A293-S295 VanDerWaalsContact C-N 3.28Å; A293-S295 PolarHBondContact O-N 2.85Å; S295-K299 WeakPolarHBondContact O-CB 3.37Å; S295-K299 PolarHBondContact O-N 3.22Å |
| 296 | D | 53.5 | Low | 56 | Low | 114 Ų | 114 | 101.6 Ų | 101.6 | 61% | 0.61 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -74.3 | -36 | -179.9 | -84.4 | -21.2 | 0 | 0 | 0 | 113.8 | K299 Q300 | D296-K299 PolarHBondContact O-N 2.93Å; D296-Q300 PolarHBondContact O-N 2.97Å |
| 297 | Q | 54.4 | Low | 56.1 | Low | 101 Ų | 101 | 98.4 Ų | 98.4 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.8 | -37.1 | 172.9 | -76.9 | -146.6 | -0.1 | 0 | 0 | 112.2 | L294 K299 R301 | L294-Q297 HydrophobicContact CD1-CB 4.05Å; Q297-K299 VanDerWaalsContact C-N 3.34Å; Q297-R301 WeakPolarHBondContact O-CB 3.32Å; Q297-R301 WeakPolarHBondContact O-CG 3.32Å; Q297-R301 PolarHBondContact O-N 3.46Å |
| 298 | I | 56.4 | Low | 56.5 | Low | 56 Ų | 56 | 92 Ų | 92 | 29% | 0.287 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66 | -39.3 | 172.2 | -70.8 | 164.7 | 0 | 0 | 0 | 110.3 | M283 L294 R301 R302 | M283-I298 HydrophobicContact CE-CG2 4.46Å; L294-I298 HydrophobicContact CB-CD1 4.19Å; L294-I298 HydrophobicContact CD2-CD1 3.86Å; L294-I298 HydrophobicContact CD2-CG1 4.3Å; L294-I298 HydrophobicContact CG-CD1 3.78Å; L294-I298 HydrophobicContact CG-CG1 3.98Å; L294-I298 WeakPolarHBondContact O-CB 3.35Å; L294-I298 WeakPolarHBondContact O-CD1 3.48Å; L294-I298 WeakPolarHBondContact O-CG1 3.43Å; L294-I298 PolarHBondContact O-N 3.5Å; I298-R301 PolarHBondContact O-N 3.46Å; I298-R302 WeakPolarHBondContact O-CB 3.37Å; I298-R302 PolarHBondContact O-N 3.26Å |
| 299 | K | 56.7 | Low | 57.3 | Low | 137 Ų | 137 | 89.8 Ų | 89.8 | 60% | 0.596 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.1 | -45.4 | 176 | -162.6 | 173.9 | -176.5 | -179.7 | 0 | 111.5 | S295 D296 Q297 R301 R302 E303 | S295-K299 WeakPolarHBondContact O-CB 3.37Å; S295-K299 PolarHBondContact O-N 3.22Å; D296-K299 PolarHBondContact O-N 2.93Å; Q297-K299 VanDerWaalsContact C-N 3.34Å; K299-R301 PolarHBondContact O-N 3.43Å; K299-R302 PolarHBondContact O-N 3.35Å; K299-E303 WeakPolarHBondContact O-CG 3.49Å; K299-E303 PolarHBondContact O-N 3.32Å |
| 300 | Q | 57.3 | Low | 58.3 | Low | 147 Ų | 147 | 90.5 Ų | 90.5 | 69% | 0.687 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.3 | -40.5 | 171.7 | -77.2 | -137.6 | -26.8 | 0 | 0 | 112.8 | D296 R302 E303 V304 | D296-Q300 PolarHBondContact O-N 2.97Å; Q300-R302 VanDerWaalsContact C-N 3.33Å; Q300-R302 PolarHBondContact O-N 3.42Å; Q300-E303 PolarHBondContact O-N 3.08Å; Q300-V304 VanDerWaalsContact O-CG2 3.29Å; Q300-V304 WeakPolarHBondContact O-CG2 3.25Å; Q300-V304 PolarHBondContact O-N 3.2Å |
| 301 | R | 58.9 | Low | 59.5 | Low | 58 Ų | 58 | 85.4 Ų | 85.4 | 22% | 0.219 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.5 | -35.8 | 175.9 | -71.6 | 170.4 | -170.7 | -128.1 | 1.7 | 112.2 | V186 M283 Q297 I298 K299 V304 A305 | V186-R301 PolarHBondContact O-NH1 2.93Å; M283-R301 HydrophobicContact CE-CB 3.54Å; M283-R301 HydrophobicContact SD-CB 4.09Å; Q297-R301 WeakPolarHBondContact O-CB 3.32Å; Q297-R301 WeakPolarHBondContact O-CG 3.32Å; Q297-R301 PolarHBondContact O-N 3.46Å; I298-R301 PolarHBondContact O-N 3.46Å; K299-R301 PolarHBondContact O-N 3.43Å; R301-V304 PolarHBondContact O-N 3.4Å; R301-A305 WeakPolarHBondContact O-CB 3.49Å; R301-A305 PolarHBondContact O-N 2.85Å |
| 302 | R | 61 | Low | 60.8 | Low | 162 Ų | 162 | 79.6 Ų | 79.6 | 61% | 0.611 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66.8 | -41.5 | 175.5 | -165.6 | -179 | -173.8 | -152.1 | 2.3 | 112 | I298 K299 Q300 A305 K306 | I298-R302 WeakPolarHBondContact O-CB 3.37Å; I298-R302 PolarHBondContact O-N 3.26Å; K299-R302 PolarHBondContact O-N 3.35Å; Q300-R302 VanDerWaalsContact C-N 3.33Å; Q300-R302 PolarHBondContact O-N 3.42Å; R302-A305 PolarHBondContact O-N 3.37Å; R302-K306 VanDerWaalsContact O-CG 3.29Å; R302-K306 WeakPolarHBondContact O-CG 3.36Å; R302-K306 PolarHBondContact O-N 3.33Å |
| 303 | E | 63.1 | Low | 62.2 | Low | 92 Ų | 92 | 76 Ų | 76 | 43% | 0.43 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 176.1 | -67.2 | -55.2 | 126.8 | 0 | 0 | 112 | K299 Q300 K306 T307 | K299-E303 WeakPolarHBondContact O-CG 3.49Å; K299-E303 PolarHBondContact O-N 3.32Å; Q300-E303 PolarHBondContact O-N 3.08Å; E303-K306 IonicContact OE1-NZ 3.83Å; E303-K306 PolarHBondContact OE1-NZ 2.89Å; E303-T307 PolarHBondContact O-N 3.39Å; E303-T307 VanDerWaalsContact O-N 3.17Å; E303-T307 PolarHBondContact O-OG1 2.87Å |
| 304 | V | 59.2 | Low | 64 | Low | 55 Ų | 55 | 73 Ų | 73 | 33% | 0.333 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67 | -39.4 | 173.9 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | Q300 R301 T307 V308 | Q300-V304 VanDerWaalsContact O-CG2 3.29Å; Q300-V304 WeakPolarHBondContact O-CG2 3.25Å; Q300-V304 PolarHBondContact O-N 3.2Å; R301-V304 PolarHBondContact O-N 3.4Å; V304-T307 WeakPolarHBondContact O-CB 3.26Å; V304-T307 PolarHBondContact O-N 3.03Å; V304-V308 PolarHBondContact O-N 3.37Å |
| 305 | A | 61.4 | Low | 65.6 | Low | 6 Ų | 6 | 69.9 Ų | 69.9 | 5% | 0.05 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65 | -46.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y276 M279 R301 R302 T307 V308 F309 | Y276-A305 HydrophobicContact CE2-CB 3.95Å; Y276-A305 WeakPolarHBondContact CE2-O 3.18Å; M279-A305 HydrophobicContact CE-CB 3.67Å; M279-A305 HydrophobicContact SD-CB 4.29Å; R301-A305 WeakPolarHBondContact O-CB 3.49Å; R301-A305 PolarHBondContact O-N 2.85Å; R302-A305 PolarHBondContact O-N 3.37Å; A305-T307 PolarHBondContact O-N 3.35Å; A305-V308 PolarHBondContact O-N 2.89Å; A305-V308 VanDerWaalsContact O-N 3.09Å; A305-F309 PolarHBondContact O-N 2.98Å |
| 306 | K | 65.3 | Low | 67.3 | Low | 91 Ų | 91 | 67.5 Ų | 67.5 | 40% | 0.396 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -55.3 | -35.2 | 174.4 | -75.9 | 173.3 | -178.4 | 174.7 | 0 | 112.4 | R302 E303 F309 C310 | R302-K306 VanDerWaalsContact O-CG 3.29Å; R302-K306 WeakPolarHBondContact O-CG 3.36Å; R302-K306 PolarHBondContact O-N 3.33Å; E303-K306 IonicContact OE1-NZ 3.83Å; E303-K306 PolarHBondContact OE1-NZ 2.89Å; K306-F309 PolarHBondContact O-N 3.48Å; K306-C310 VanDerWaalsContact O-CB 3.28Å; K306-C310 WeakPolarHBondContact O-CB 3.44Å; K306-C310 PolarHBondContact O-N 3.48Å |
| 307 | T | 64.6 | Low | 69.1 | Low | 17 Ų | 17 | 66.9 Ų | 66.9 | 10% | 0.104 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.4 | -45.4 | 177.5 | -57.4 | 0 | 0 | 0 | 0 | 112 | E303 V304 A305 F309 C310 L311 V372 | E303-T307 PolarHBondContact O-N 3.39Å; E303-T307 VanDerWaalsContact O-N 3.17Å; E303-T307 PolarHBondContact O-OG1 2.87Å; V304-T307 WeakPolarHBondContact O-CB 3.26Å; V304-T307 PolarHBondContact O-N 3.03Å; A305-T307 PolarHBondContact O-N 3.35Å; T307-F309 VanDerWaalsContact C-N 3.33Å; T307-C310 PolarHBondContact O-N 3.41Å; T307-L311 HydrophobicContact CG2-CD1 4.06Å; T307-L311 HydrophobicContact CG2-CG 4.39Å; T307-L311 WeakPolarHBondContact O-CB 3.48Å; T307-L311 VanDerWaalsContact O-CG 3.29Å; T307-L311 WeakPolarHBondContact O-CG 3.18Å; T307-L311 PolarHBondContact O-N 2.87Å; T307-V372 HydrophobicContact CG2-CB 4Å; T307-V372 HydrophobicContact CG2-CG1 3.74Å; T307-V372 HydrophobicContact CG2-CG2 3.61Å; T307-V372 WeakPolarHBondContact OG1-CG1 3.43Å; T307-V372 WeakPolarHBondContact OG1-CG2 3.36Å |
| 308 | V | 66.6 | Low | 70.9 | Confident | 20 Ų | 20 | 62.4 Ų | 62.4 | 12% | 0.121 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 177.2 | 178.6 | 0 | 0 | 0 | 0 | 109.8 | R182 V304 A305 C310 L311 V312 | R182-V308 HydrophobicContact CG-CG2 4.02Å; V304-V308 PolarHBondContact O-N 3.37Å; A305-V308 PolarHBondContact O-N 2.89Å; A305-V308 VanDerWaalsContact O-N 3.09Å; V308-C310 PolarHBondContact O-N 3.21Å; V308-L311 PolarHBondContact O-N 3.38Å; V308-V312 HydrophobicContact CG1-CG2 4.49Å; V308-V312 VanDerWaalsContact O-CG2 3.24Å; V308-V312 WeakPolarHBondContact O-CG2 3.33Å; V308-V312 PolarHBondContact O-N 3.4Å |
| 309 | F | 70.2 | Confident | 72.6 | Confident | 109 Ų | 109 | 60.1 Ų | 60.1 | 48% | 0.478 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 175 | -178.2 | -98.1 | 0 | 0 | 0 | 112.5 | Y276 A305 K306 T307 V312 L313 | Y276-F309 HydrophobicContact CE1-CD2 4.19Å; Y276-F309 HydrophobicContact CE2-CB 3.98Å; A305-F309 PolarHBondContact O-N 2.98Å; K306-F309 PolarHBondContact O-N 3.48Å; T307-F309 VanDerWaalsContact C-N 3.33Å; F309-V312 PolarHBondContact O-N 2.93Å; F309-L313 WeakPolarHBondContact O-CB 3.3Å; F309-L313 PolarHBondContact O-N 3.28Å |
| 310 | C | 74.4 | Confident | 74.3 | Confident | 64 Ų | 64 | 57.2 Ų | 57.2 | 43% | 0.432 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 176.4 | -178.3 | 0 | 0 | 0 | 0 | 112 | K306 T307 V308 V312 L313 V314 | K306-C310 VanDerWaalsContact O-CB 3.28Å; K306-C310 WeakPolarHBondContact O-CB 3.44Å; K306-C310 PolarHBondContact O-N 3.48Å; T307-C310 PolarHBondContact O-N 3.41Å; V308-C310 PolarHBondContact O-N 3.21Å; C310-V312 VanDerWaalsContact C-N 3.32Å; C310-V312 PolarHBondContact O-N 2.93Å; C310-L313 PolarHBondContact O-N 2.96Å; C310-V314 WeakPolarHBondContact O-CB 3.26Å; C310-V314 VanDerWaalsContact O-CG2 3.27Å; C310-V314 WeakPolarHBondContact O-CG2 3.27Å; C310-V314 PolarHBondContact O-N 3.36Å |
| 311 | L | 73.4 | Confident | 76.1 | Confident | 27 Ų | 27 | 52 Ų | 52 | 14% | 0.141 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 176.2 | -71.8 | 172.4 | 0 | 0 | 0 | 112.1 | T307 V308 F315 A368 | T307-L311 HydrophobicContact CG2-CD1 4.06Å; T307-L311 HydrophobicContact CG2-CG 4.39Å; T307-L311 WeakPolarHBondContact O-CB 3.48Å; T307-L311 VanDerWaalsContact O-CG 3.29Å; T307-L311 WeakPolarHBondContact O-CG 3.18Å; T307-L311 PolarHBondContact O-N 2.87Å; V308-L311 PolarHBondContact O-N 3.38Å; L311-F315 WeakPolarHBondContact O-CB 3.25Å; L311-F315 PolarHBondContact O-N 2.9Å; L311-A368 HydrophobicContact CD2-CB 3.55Å |
| 312 | V | 75.4 | Confident | 77.7 | Confident | 29 Ų | 29 | 49.6 Ų | 49.6 | 18% | 0.176 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.5 | -43 | 176.9 | 173 | 0 | 0 | 0 | 0 | 111.6 | L269 T272 V308 F309 C310 F315 A316 | L269-V312 HydrophobicContact CD2-CG1 3.77Å; T272-V312 HydrophobicContact CG2-CG2 3.69Å; T272-V312 WeakPolarHBondContact OG1-CG1 3.48Å; T272-V312 WeakPolarHBondContact OG1-CG2 3.47Å; V308-V312 HydrophobicContact CG1-CG2 4.49Å; V308-V312 VanDerWaalsContact O-CG2 3.24Å; V308-V312 WeakPolarHBondContact O-CG2 3.33Å; V308-V312 PolarHBondContact O-N 3.4Å; F309-V312 PolarHBondContact O-N 2.93Å; C310-V312 VanDerWaalsContact C-N 3.32Å; C310-V312 PolarHBondContact O-N 2.93Å; V312-F315 WeakPolarHBondContact O-CB 3.4Å; V312-F315 PolarHBondContact O-N 2.96Å; V312-A316 PolarHBondContact O-N 2.95Å |
| 313 | L | 81.4 | Confident | 79.2 | Confident | 85 Ų | 85 | 42.2 Ų | 42.2 | 45% | 0.445 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 177 | -175.8 | 67.1 | 0 | 0 | 0 | 111 | F309 C310 F315 A316 L317 | F309-L313 WeakPolarHBondContact O-CB 3.3Å; F309-L313 PolarHBondContact O-N 3.28Å; C310-L313 PolarHBondContact O-N 2.96Å; L313-F315 VanDerWaalsContact C-N 3.32Å; L313-F315 PolarHBondContact O-N 3.13Å; L313-A316 PolarHBondContact O-N 2.99Å; L313-L317 HydrophobicContact CD1-CD1 4.38Å; L313-L317 HydrophobicContact CD1-CG 4.48Å; L313-L317 HydrophobicContact CG-CD1 4.03Å; L313-L317 HydrophobicContact CG-CG 4.5Å; L313-L317 WeakPolarHBondContact O-CB 3.21Å; L313-L317 VanDerWaalsContact O-CG 3.27Å; L313-L317 WeakPolarHBondContact O-CG 3.09Å; L313-L317 PolarHBondContact O-N 2.85Å |
| 314 | V | 85.4 | Confident | 80.6 | Confident | 24 Ų | 24 | 42 Ų | 42 | 15% | 0.145 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.9 | -47.7 | 174.1 | 164.5 | 0 | 0 | 0 | 0 | 110.7 | C310 A316 L317 C318 I364 | C310-V314 WeakPolarHBondContact O-CB 3.26Å; C310-V314 VanDerWaalsContact O-CG2 3.27Å; C310-V314 WeakPolarHBondContact O-CG2 3.27Å; C310-V314 PolarHBondContact O-N 3.36Å; V314-A316 PolarHBondContact O-N 3.37Å; V314-L317 PolarHBondContact O-N 3.27Å; V314-C318 VanDerWaalsContact O-CB 3.27Å; V314-C318 WeakPolarHBondContact O-CB 3.35Å; V314-C318 PolarHBondContact O-N 2.62Å; V314-C318 PolarHBondContact O-SG 2.93Å; V314-I364 HydrophobicContact CB-CG2 4.47Å; V314-I364 HydrophobicContact CG1-CB 3.94Å; V314-I364 HydrophobicContact CG1-CD1 3.36Å; V314-I364 HydrophobicContact CG1-CG1 4.24Å; V314-I364 HydrophobicContact CG1-CG2 3.73Å; V314-I364 HydrophobicContact CG2-CD1 4.48Å; V314-I364 HydrophobicContact CG2-CG2 4.15Å |
| 315 | F | 85.4 | Confident | 82.2 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.1 | -49.6 | 176.9 | 174.4 | -92.7 | 0 | 0 | 0 | 111.1 | V172 L175 Y264 F265 P268 L269 L311 V312 L313 L317 C318 W319 N361 | V172-F315 HydrophobicContact CG1-CE2 3.67Å; V172-F315 HydrophobicContact CG1-CZ 3.66Å; L175-F315 HydrophobicContact CD1-CB 4.34Å; L175-F315 HydrophobicContact CD1-CD2 3.67Å; L175-F315 HydrophobicContact CD1-CE2 4.26Å; L175-F315 HydrophobicContact CD1-CG 4.05Å; Y264-F315 WeakPolarHBondContact O-CZ 3.43Å; F265-F315 HydrophobicContact CD2-CE1 4.33Å; P268-F315 HydrophobicContact CB-CE1 4.33Å; P268-F315 HydrophobicContact CG-CE1 3.75Å; P268-F315 HydrophobicContact CG-CZ 3.88Å; L269-F315 HydrophobicContact CD2-CD1 3.92Å; L269-F315 HydrophobicContact CD2-CE1 4.36Å; L269-F315 HydrophobicContact CG-CD1 4.44Å; L269-F315 HydrophobicContact CG-CE1 4.39Å; L311-F315 WeakPolarHBondContact O-CB 3.25Å; L311-F315 PolarHBondContact O-N 2.9Å; V312-F315 WeakPolarHBondContact O-CB 3.4Å; V312-F315 PolarHBondContact O-N 2.96Å; L313-F315 VanDerWaalsContact C-N 3.32Å; L313-F315 PolarHBondContact O-N 3.13Å; F315-L317 PolarHBondContact O-N 3.49Å; F315-C318 PolarHBondContact O-N 2.99Å; F315-W319 AromaticContact CD2-CD1 3.32Å; F315-W319 HydrophobicContact CD2-CG 4.23Å; F315-W319 AromaticContact CD2-NE1 3.5Å; F315-W319 AromaticContact CE2-CD1 3.27Å; F315-W319 HydrophobicContact CE2-CD2 4.18Å; F315-W319 AromaticContact CE2-CE2 3.97Å; F315-W319 AromaticContact CE2-CG 3.81Å; F315-W319 HydrophobicContact CE2-CG 3.81Å; F315-W319 AromaticContact CE2-NE1 3.33Å; F315-W319 VanDerWaalsContact CE2-NE1 3.33Å; F315-W319 AromaticContact CG-CD1 3.99Å; F315-W319 HydrophobicContact CZ-CB 4.48Å; F315-W319 AromaticContact CZ-CD1 3.89Å; F315-W319 HydrophobicContact CZ-CG 4.03Å; F315-W319 WeakPolarHBondContact O-CB 3.21Å; F315-W319 PolarHBondContact O-N 2.96Å; F315-N361 WeakPolarHBondContact CA-OD1 3.47Å |
| 316 | A | 88.9 | Confident | 83.7 | Confident | 21 Ų | 21 | 41.6 Ų | 41.6 | 17% | 0.174 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.7 | -50 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L269 V312 L313 V314 C318 W319 L320 | L269-A316 HydrophobicContact CD1-CB 4.35Å; L269-A316 HydrophobicContact CD2-CB 3.91Å; V312-A316 PolarHBondContact O-N 2.95Å; L313-A316 PolarHBondContact O-N 2.99Å; V314-A316 PolarHBondContact O-N 3.37Å; A316-C318 PolarHBondContact O-N 3.28Å; A316-W319 PolarHBondContact O-N 3.4Å; A316-L320 WeakPolarHBondContact O-CB 3.28Å; A316-L320 PolarHBondContact O-N 3.31Å |
| 317 | L | 91.3 | Very high | 85.1 | Confident | 100 Ų | 100 | 38.4 Ų | 38.4 | 52% | 0.524 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.1 | -34.5 | -177.4 | -67.5 | 174.1 | 0 | 0 | 0 | 113 | L313 V314 F315 P321 | L313-L317 HydrophobicContact CD1-CD1 4.38Å; L313-L317 HydrophobicContact CD1-CG 4.48Å; L313-L317 HydrophobicContact CG-CD1 4.03Å; L313-L317 HydrophobicContact CG-CG 4.5Å; L313-L317 WeakPolarHBondContact O-CB 3.21Å; L313-L317 VanDerWaalsContact O-CG 3.27Å; L313-L317 WeakPolarHBondContact O-CG 3.09Å; L313-L317 PolarHBondContact O-N 2.85Å; V314-L317 PolarHBondContact O-N 3.27Å; F315-L317 PolarHBondContact O-N 3.49Å; L317-P321 WeakPolarHBondContact O-CD 3.27Å |
| 318 | C | 92.4 | Very high | 86.3 | Confident | 7 Ų | 7 | 40.1 Ų | 40.1 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -75.9 | -35.9 | -179.8 | -70.2 | 0 | 0 | 0 | 0 | 112.7 | V314 F315 A316 M357 A358 N361 | V314-C318 VanDerWaalsContact O-CB 3.27Å; V314-C318 WeakPolarHBondContact O-CB 3.35Å; V314-C318 PolarHBondContact O-N 2.62Å; V314-C318 PolarHBondContact O-SG 2.93Å; F315-C318 PolarHBondContact O-N 2.99Å; A316-C318 PolarHBondContact O-N 3.28Å; C318-M357 VanDerWaalsContact CB-O 3.27Å; C318-M357 WeakPolarHBondContact CB-O 3.36Å; C318-M357 CarbonylContact O-C 3.31Å; C318-M357 VanDerWaalsContact O-C 3.31Å; C318-M357 WeakPolarHBondContact O-CB 3.33Å; C318-A358 PolarHBondContact O-N 3.42Å; C318-N361 HydrophobicContact CB-CB 3.72Å |
| 319 | W | 92.3 | Very high | 87.5 | Confident | 8 Ų | 8 | 42.6 Ų | 42.6 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -92.9 | -27 | -174.6 | -74.8 | 86.6 | 0 | 0 | 0 | 113.7 | V168 F265 F315 A316 L322 H323 A358 N361 | V168-W319 HydrophobicContact CB-CH2 3.95Å; V168-W319 HydrophobicContact CB-CZ3 4.48Å; V168-W319 HydrophobicContact CG1-CE3 4.37Å; V168-W319 HydrophobicContact CG1-CH2 3.29Å; V168-W319 HydrophobicContact CG1-CZ2 3.78Å; V168-W319 HydrophobicContact CG1-CZ3 3.59Å; V168-W319 HydrophobicContact CG2-CH2 3.36Å; V168-W319 HydrophobicContact CG2-CZ2 4.27Å; V168-W319 HydrophobicContact CG2-CZ3 3.97Å; F265-W319 HydrophobicContact CD2-CB 3.82Å; F265-W319 HydrophobicContact CE2-CB 4.1Å; F315-W319 AromaticContact CD2-CD1 3.32Å; F315-W319 HydrophobicContact CD2-CG 4.23Å; F315-W319 AromaticContact CD2-NE1 3.5Å; F315-W319 AromaticContact CE2-CD1 3.27Å; F315-W319 HydrophobicContact CE2-CD2 4.18Å; F315-W319 AromaticContact CE2-CE2 3.97Å; F315-W319 AromaticContact CE2-CG 3.81Å; F315-W319 HydrophobicContact CE2-CG 3.81Å; F315-W319 AromaticContact CE2-NE1 3.33Å; F315-W319 VanDerWaalsContact CE2-NE1 3.33Å; F315-W319 AromaticContact CG-CD1 3.99Å; F315-W319 HydrophobicContact CZ-CB 4.48Å; F315-W319 AromaticContact CZ-CD1 3.89Å; F315-W319 HydrophobicContact CZ-CG 4.03Å; F315-W319 WeakPolarHBondContact O-CB 3.21Å; F315-W319 PolarHBondContact O-N 2.96Å; A316-W319 PolarHBondContact O-N 3.4Å; W319-L322 HydrophobicContact CZ3-CD2 4.34Å; W319-L322 PolarHBondContact O-N 3.31Å; W319-H323 AromaticContact CE3-NE2 3.85Å; W319-H323 PolarHBondContact O-CD2 3.25Å; W319-H323 VanDerWaalsContact O-CD2 3.31Å; W319-H323 PolarHBondContact O-N 2.95Å; W319-A358 HydrophobicContact CD2-CB 4.19Å; W319-A358 HydrophobicContact CE3-CB 4.16Å; W319-A358 HydrophobicContact CH2-CB 3.99Å; W319-A358 HydrophobicContact CZ2-CB 4.12Å; W319-A358 HydrophobicContact CZ3-CB 4.06Å; W319-N361 PolarHBondContact NE1-ND2 3.25Å; W319-N361 VanDerWaalsContact NE1-ND2 3.18Å |
| 320 | L | 93.1 | Very high | 88.4 | Confident | 76 Ų | 76 | 41 Ų | 41 | 40% | 0.398 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55.4 | -46.3 | -178.2 | 177.9 | 65.4 | 0 | 0 | 0 | 113.6 | F265 A316 L322 H323 L324 | F265-L320 HydrophobicContact CE1-CD1 4.33Å; F265-L320 HydrophobicContact CE2-CB 4.09Å; F265-L320 HydrophobicContact CZ-CB 4.01Å; F265-L320 HydrophobicContact CZ-CD1 3.91Å; A316-L320 WeakPolarHBondContact O-CB 3.28Å; A316-L320 PolarHBondContact O-N 3.31Å; L320-L322 VanDerWaalsContact C-N 3.29Å; L320-L322 PolarHBondContact O-N 3.49Å; L320-H323 PolarHBondContact O-N 2.94Å; L320-L324 WeakPolarHBondContact O-CB 3.31Å; L320-L324 PolarHBondContact O-N 3.21Å |
| 321 | P | 93.6 | Very high | 89.1 | Confident | 38 Ų | 38 | 42.1 Ų | 42.1 | 25% | 0.247 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.6 | -40.1 | -177.3 | -24.3 | 34.6 | 0 | 0 | 0 | 112.8 | L317 S325 M357 | L317-P321 WeakPolarHBondContact O-CD 3.27Å; P321-S325 WeakPolarHBondContact O-CB 3.29Å; P321-S325 PolarHBondContact O-N 3.45Å; P321-S325 PolarHBondContact O-OG 3.47Å; P321-M357 HydrophobicContact CG-CB 4.49Å; P321-M357 HydrophobicContact CG-CE 4.49Å; P321-M357 HydrophobicContact CG-CG 4.48Å |
| 322 | L | 93.1 | Very high | 89.9 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.2 | -50 | 179.1 | -177.9 | 60.7 | 0 | 0 | 0 | 111.4 | W319 L320 S325 R326 I355 A358 | W319-L322 HydrophobicContact CZ3-CD2 4.34Å; W319-L322 PolarHBondContact O-N 3.31Å; L320-L322 VanDerWaalsContact C-N 3.29Å; L320-L322 PolarHBondContact O-N 3.49Å; L322-S325 PolarHBondContact O-N 2.88Å; L322-S325 PolarHBondContact O-OG 3.06Å; L322-R326 WeakPolarHBondContact O-CG 3.14Å; L322-R326 PolarHBondContact O-N 3.47Å; L322-I355 HydrophobicContact CD1-CG1 4.02Å; L322-A358 HydrophobicContact CD2-CB 4.2Å |
| 323 | H | 93.4 | Very high | 90.5 | Very high | 7 Ų | 7 | 47 Ų | 47 | 3% | 0.032 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.9 | -41.7 | 179.8 | -76.2 | -71.9 | 0 | 0 | 0 | 111.9 | L260 F261 F265 W319 L320 R326 I327 | L260-H323 PolarHBondContact O-CE1 3.08Å; F261-H323 HydrophobicContact CD2-CB 3.82Å; F261-H323 HydrophobicContact CE2-CB 4.46Å; F265-H323 AromaticContact CD2-CD2 3.94Å; W319-H323 AromaticContact CE3-NE2 3.85Å; W319-H323 PolarHBondContact O-CD2 3.25Å; W319-H323 VanDerWaalsContact O-CD2 3.31Å; W319-H323 PolarHBondContact O-N 2.95Å; L320-H323 PolarHBondContact O-N 2.94Å; H323-R326 PolarHBondContact O-N 2.9Å; H323-I327 WeakPolarHBondContact O-CG1 3.28Å; H323-I327 PolarHBondContact O-N 2.67Å |
| 324 | L | 92.5 | Very high | 90.8 | Very high | 86 Ų | 86 | 46.9 Ų | 46.9 | 45% | 0.45 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.8 | -46.9 | 178.1 | -178.2 | 61.2 | 0 | 0 | 0 | 111.2 | L320 R326 I327 L328 | L320-L324 WeakPolarHBondContact O-CB 3.31Å; L320-L324 PolarHBondContact O-N 3.21Å; L324-R326 VanDerWaalsContact C-N 3.3Å; L324-R326 PolarHBondContact O-N 3.17Å; L324-I327 PolarHBondContact O-N 3.15Å; L324-L328 HydrophobicContact CD1-CD1 3.94Å; L324-L328 HydrophobicContact CD1-CD2 4.48Å; L324-L328 HydrophobicContact CD1-CG 3.95Å; L324-L328 HydrophobicContact CD2-CD1 4.46Å; L324-L328 HydrophobicContact CG-CD1 3.77Å; L324-L328 HydrophobicContact CG-CG 4.23Å; L324-L328 WeakPolarHBondContact O-CB 2.99Å; L324-L328 VanDerWaalsContact O-CG 3.27Å; L324-L328 WeakPolarHBondContact O-CG 3.3Å; L324-L328 PolarHBondContact O-N 2.97Å |
| 325 | S | 93 | Very high | 90.8 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.014 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.8 | -40.4 | 178.9 | 74.6 | 0 | 0 | 0 | 0 | 112.7 | P321 L322 K329 D351 | P321-S325 WeakPolarHBondContact O-CB 3.29Å; P321-S325 PolarHBondContact O-N 3.45Å; P321-S325 PolarHBondContact O-OG 3.47Å; L322-S325 PolarHBondContact O-N 2.88Å; L322-S325 PolarHBondContact O-OG 3.06Å; S325-K329 VanDerWaalsContact O-CB 3.31Å; S325-K329 WeakPolarHBondContact O-CB 3.35Å; S325-K329 PolarHBondContact O-N 3.33Å; S325-D351 PolarHBondContact OG-OD1 3.49Å; S325-D351 VanDerWaalsContact OG-OD1 3.12Å |
| 326 | R | 92.4 | Very high | 90.8 | Very high | 52 Ų | 52 | 59.3 Ų | 59.3 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.6 | -43.6 | 178.8 | -67.8 | 174.9 | -179 | -142.2 | -3.7 | 112.5 | D257 L322 H323 L324 K329 L330 | D257-R326 HydrophobicContact CB-CB 4.35Å; D257-R326 IonicContact OD1-NH1 3.89Å; L322-R326 WeakPolarHBondContact O-CG 3.14Å; L322-R326 PolarHBondContact O-N 3.47Å; H323-R326 PolarHBondContact O-N 2.9Å; L324-R326 VanDerWaalsContact C-N 3.3Å; L324-R326 PolarHBondContact O-N 3.17Å; R326-K329 PolarHBondContact O-N 3.47Å; R326-L330 WeakPolarHBondContact O-CB 3.47Å; R326-L330 PolarHBondContact O-N 3.09Å |
| 327 | I | 93.7 | Very high | 90.7 | Very high | 24 Ų | 24 | 61.6 Ų | 61.6 | 12% | 0.123 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.5 | -44.7 | 177.8 | -64.7 | -61.8 | 0 | 0 | 0 | 110.4 | D257 W258 F261 H323 L324 K329 L330 T331 | D257-I327 HydrophobicContact CB-CD1 4.23Å; W258-I327 HydrophobicContact CD2-CD1 3.89Å; W258-I327 HydrophobicContact CE3-CD1 3.92Å; W258-I327 HydrophobicContact CG-CD1 4.42Å; W258-I327 HydrophobicContact CH2-CD1 4.34Å; W258-I327 HydrophobicContact CH2-CG2 4.01Å; W258-I327 HydrophobicContact CZ2-CD1 4.32Å; W258-I327 HydrophobicContact CZ2-CG2 4.22Å; W258-I327 HydrophobicContact CZ3-CD1 4.15Å; F261-I327 HydrophobicContact CB-CD1 4.49Å; H323-I327 WeakPolarHBondContact O-CG1 3.28Å; H323-I327 PolarHBondContact O-N 2.67Å; L324-I327 PolarHBondContact O-N 3.15Å; I327-K329 VanDerWaalsContact C-N 3.32Å; I327-K329 PolarHBondContact O-N 2.85Å; I327-L330 PolarHBondContact O-N 3.42Å; I327-L330 VanDerWaalsContact O-N 3.1Å; I327-T331 HydrophobicContact CG2-CG2 4.39Å; I327-T331 WeakPolarHBondContact O-CG2 3.42Å; I327-T331 PolarHBondContact O-N 3.41Å; I327-T331 PolarHBondContact O-OG1 2.83Å; I327-T331 VanDerWaalsContact O-OG1 3.11Å |
| 328 | L | 91.5 | Very high | 90.4 | Very high | 53 Ų | 53 | 59.6 Ų | 59.6 | 28% | 0.277 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 175.9 | -71.4 | 172.8 | 0 | 0 | 0 | 111.9 | L324 L330 T331 I332 F347 | L324-L328 HydrophobicContact CD1-CD1 3.94Å; L324-L328 HydrophobicContact CD1-CD2 4.48Å; L324-L328 HydrophobicContact CD1-CG 3.95Å; L324-L328 HydrophobicContact CD2-CD1 4.46Å; L324-L328 HydrophobicContact CG-CD1 3.77Å; L324-L328 HydrophobicContact CG-CG 4.23Å; L324-L328 WeakPolarHBondContact O-CB 2.99Å; L324-L328 VanDerWaalsContact O-CG 3.27Å; L324-L328 WeakPolarHBondContact O-CG 3.3Å; L324-L328 PolarHBondContact O-N 2.97Å; L328-L330 VanDerWaalsContact C-N 3.31Å; L328-L330 PolarHBondContact O-N 3.46Å; L328-T331 PolarHBondContact O-N 3.49Å; L328-T331 PolarHBondContact O-OG1 3.45Å; L328-I332 HydrophobicContact CB-CD1 4.37Å; L328-I332 HydrophobicContact CD2-CD1 3.74Å; L328-I332 WeakPolarHBondContact O-CB 3.3Å; L328-I332 WeakPolarHBondContact O-CG1 3.44Å; L328-I332 PolarHBondContact O-N 3.04Å; L328-F347 HydrophobicContact CB-CE1 3.57Å; L328-F347 HydrophobicContact CB-CZ 3.92Å |
| 329 | K | 90.2 | Very high | 90.2 | Very high | 71 Ų | 71 | 63.7 Ų | 63.7 | 31% | 0.309 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 173.6 | -175.8 | 178.1 | -178.3 | 172.9 | 0 | 111.4 | S325 R326 I327 T331 Y333 F347 | S325-K329 VanDerWaalsContact O-CB 3.31Å; S325-K329 WeakPolarHBondContact O-CB 3.35Å; S325-K329 PolarHBondContact O-N 3.33Å; R326-K329 PolarHBondContact O-N 3.47Å; I327-K329 VanDerWaalsContact C-N 3.32Å; I327-K329 PolarHBondContact O-N 2.85Å; K329-T331 VanDerWaalsContact C-N 3.34Å; K329-T331 PolarHBondContact O-N 3.22Å; K329-Y333 WeakPolarHBondContact O-CB 3.19Å; K329-Y333 PolarHBondContact O-N 2.86Å; K329-F347 HydrophobicContact CB-CD1 4.36Å; K329-F347 HydrophobicContact CB-CD2 3.97Å; K329-F347 HydrophobicContact CB-CE2 4.08Å; K329-F347 HydrophobicContact CB-CG 4.12Å; K329-F347 HydrophobicContact CB-CZ 4.38Å; K329-F347 HydrophobicContact CG-CD2 4.03Å; K329-F347 HydrophobicContact CG-CE2 4.38Å; K329-F347 HydrophobicContact CG-CG 4.45Å |
| 330 | L | 89.5 | Confident | 90 | Very high | 77 Ų | 77 | 64.7 Ų | 64.7 | 40% | 0.403 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.3 | -30 | 179.3 | -174.7 | 138.3 | 0 | 0 | 0 | 113.2 | D257 R326 I327 L328 | D257-L330 HydrophobicContact CB-CD1 4.5Å; R326-L330 WeakPolarHBondContact O-CB 3.47Å; R326-L330 PolarHBondContact O-N 3.09Å; I327-L330 PolarHBondContact O-N 3.42Å; I327-L330 VanDerWaalsContact O-N 3.1Å; L328-L330 VanDerWaalsContact C-N 3.31Å; L328-L330 PolarHBondContact O-N 3.46Å |
| 331 | T | 89.6 | Confident | 89.8 | Confident | 86 Ų | 86 | 61.5 Ų | 61.5 | 53% | 0.528 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -94.5 | -30.7 | -176.1 | 55.5 | 0 | 0 | 0 | 0 | 114.4 | I327 L328 K329 | I327-T331 HydrophobicContact CG2-CG2 4.39Å; I327-T331 WeakPolarHBondContact O-CG2 3.42Å; I327-T331 PolarHBondContact O-N 3.41Å; I327-T331 PolarHBondContact O-OG1 2.83Å; I327-T331 VanDerWaalsContact O-OG1 3.11Å; L328-T331 PolarHBondContact O-N 3.49Å; L328-T331 PolarHBondContact O-OG1 3.45Å; K329-T331 VanDerWaalsContact C-N 3.34Å; K329-T331 PolarHBondContact O-N 3.22Å |
| 332 | I | 89.6 | Confident | 89.5 | Confident | 96 Ų | 96 | 67.2 Ų | 67.2 | 49% | 0.492 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -105.8 | -27.5 | -171.2 | -54.3 | 176.6 | 0 | 0 | 0 | 112.2 | L328 D334 L343 | L328-I332 HydrophobicContact CB-CD1 4.37Å; L328-I332 HydrophobicContact CD2-CD1 3.74Å; L328-I332 WeakPolarHBondContact O-CB 3.3Å; L328-I332 WeakPolarHBondContact O-CG1 3.44Å; L328-I332 PolarHBondContact O-N 3.04Å; I332-D334 PolarHBondContact O-N 2.95Å; I332-L343 HydrophobicContact CG2-CD2 3.86Å |
| 333 | Y | 89.1 | Confident | 89.4 | Confident | 62 Ų | 62 | 69.5 Ų | 69.5 | 24% | 0.243 | 35% | 0.345 | C | S | . | . | trans | -72.4 | 113.8 | -175.3 | -176.3 | -98.6 | 0 | 0 | 0 | 111.8 | K329 E335 R340 L344 | K329-Y333 WeakPolarHBondContact O-CB 3.19Å; K329-Y333 PolarHBondContact O-N 2.86Å; Y333-E335 HydrophobicContact CD1-CG 4.3Å; Y333-E335 HydrophobicContact CE1-CG 3.74Å; Y333-R340 HydrophobicContact CD2-CB 4.48Å; Y333-R340 HydrophobicContact CE2-CB 3.88Å; Y333-R340 HydrophobicContact CE2-CG 4.17Å; Y333-R340 WeakPolarHBondContact OH-CD 3.21Å; Y333-R340 PolarHBondContact OH-NE 3.29Å; Y333-L344 HydrophobicContact CE2-CB 4.19Å; Y333-L344 HydrophobicContact CE2-CD1 4.34Å | ||
| 334 | D | 87.9 | Confident | 89.2 | Confident | 84 Ų | 84 | 70.7 Ų | 70.7 | 45% | 0.449 | 35% | 0.352 | S | S | . | . | trans | -99.9 | 121.1 | 171 | -171.6 | -1.2 | 0 | 0 | 0 | 110.7 | I332 K336 D337 R340 | I332-D334 PolarHBondContact O-N 2.95Å; D334-K336 PolarHBondContact O-N 3.31Å; D334-K336 WeakPolarHBondContact OD1-CB 3.43Å; D334-K336 PolarHBondContact OD1-N 3.23Å; D334-D337 HydrophobicContact CB-CB 4.34Å; D334-D337 PolarHBondContact O-N 3.31Å; D334-R340 WeakPolarHBondContact O-CD 3.15Å | ||
| 335 | E | 84.3 | Confident | 89.1 | Confident | 121 Ų | 121 | 67.5 Ų | 67.5 | 57% | 0.565 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -19.9 | 174.8 | -71.6 | -179 | -179.8 | 0 | 0 | 112.5 | Y333 R340 | Y333-E335 HydrophobicContact CD1-CG 4.3Å; Y333-E335 HydrophobicContact CE1-CG 3.74Å; E335-R340 PolarHBondContact O-NH1 3.48Å |
| 336 | K | 86.3 | Confident | 89.1 | Confident | 167 Ų | 167 | 72.9 Ų | 72.9 | 73% | 0.726 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -16.1 | -177.9 | -63.2 | 177.5 | -175.7 | 171.5 | 0 | 113.7 | D334 P338 | D334-K336 PolarHBondContact O-N 3.31Å; D334-K336 WeakPolarHBondContact OD1-CB 3.43Å; D334-K336 PolarHBondContact OD1-N 3.23Å; K336-P338 WeakPolarHBondContact O-CD 3.5Å |
| 337 | D | 86.9 | Confident | 89.1 | Confident | 68 Ų | 68 | 70.6 Ų | 70.6 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | trans | -74.1 | 122.8 | -179.2 | -177 | -2.8 | 0 | 0 | 0 | 111.2 | D334 N339 R340 | D334-D337 HydrophobicContact CB-CB 4.34Å; D334-D337 PolarHBondContact O-N 3.31Å; D337-N339 PolarHBondContact O-N 3.47Å; D337-N339 PolarHBondContact OD1-N 3.46Å; D337-R340 HydrophobicContact CB-CB 4.29Å; D337-R340 VanDerWaalsContact O-CB 3.31Å; D337-R340 WeakPolarHBondContact O-CB 3.5Å; D337-R340 VanDerWaalsContact O-CD 3.28Å; D337-R340 WeakPolarHBondContact O-CD 3.49Å; D337-R340 WeakPolarHBondContact O-CG 3.31Å; D337-R340 PolarHBondContact O-N 2.86Å | ||
| 338 | P | 84.8 | Confident | 89 | Confident | 59 Ų | 59 | 71.6 Ų | 71.6 | 38% | 0.383 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -24.4 | 174.2 | -22.3 | 34.2 | 0 | 0 | 0 | 114.7 | C73 T74 K336 | C73-P338 VanDerWaalsContact CA-O 3.32Å; C73-P338 WeakPolarHBondContact CA-O 3.06Å; T74-P338 HydrophobicContact CG2-CB 4.06Å; T74-P338 PolarHBondContact N-O 3.48Å; T74-P338 VanDerWaalsContact N-O 3.14Å; T74-P338 PolarHBondContact OG1-O 3.11Å; K336-P338 WeakPolarHBondContact O-CD 3.5Å |
| 339 | N | 87.1 | Confident | 89.1 | Confident | 93 Ų | 93 | 70.9 Ų | 70.9 | 50% | 0.497 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 4.7 | -178.9 | -63.9 | -30.3 | 0 | 0 | 0 | 113.3 | T74 D337 C341 E342 | T74-N339 PolarHBondContact OG1-OD1 3.23Å; D337-N339 PolarHBondContact O-N 3.47Å; D337-N339 PolarHBondContact OD1-N 3.46Å; N339-C341 PolarHBondContact O-N 3.36Å; N339-E342 PolarHBondContact O-N 2.86Å |
| 340 | R | 87.8 | Confident | 89.2 | Confident | 29 Ų | 29 | 69.8 Ų | 69.8 | 11% | 0.109 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -56.2 | -21.2 | -176.3 | 70.3 | -172.7 | -170.6 | -111.1 | -13.2 | 115.4 | P71 Y333 D334 E335 D337 L343 L344 | P71-R340 VanDerWaalsContact O-CZ 3.22Å; P71-R340 PolarHBondContact O-NH1 3.46Å; P71-R340 PolarHBondContact O-NH2 2.97Å; Y333-R340 HydrophobicContact CD2-CB 4.48Å; Y333-R340 HydrophobicContact CE2-CB 3.88Å; Y333-R340 HydrophobicContact CE2-CG 4.17Å; Y333-R340 WeakPolarHBondContact OH-CD 3.21Å; Y333-R340 PolarHBondContact OH-NE 3.29Å; D334-R340 WeakPolarHBondContact O-CD 3.15Å; E335-R340 PolarHBondContact O-NH1 3.48Å; D337-R340 HydrophobicContact CB-CB 4.29Å; D337-R340 VanDerWaalsContact O-CB 3.31Å; D337-R340 WeakPolarHBondContact O-CB 3.5Å; D337-R340 VanDerWaalsContact O-CD 3.28Å; D337-R340 WeakPolarHBondContact O-CD 3.49Å; D337-R340 WeakPolarHBondContact O-CG 3.31Å; D337-R340 PolarHBondContact O-N 2.86Å; R340-L343 PolarHBondContact O-N 2.71Å; R340-L344 WeakPolarHBondContact O-CB 3.42Å; R340-L344 PolarHBondContact O-N 2.03Å |
| 341 | C | 89.4 | Confident | 89.4 | Confident | 8 Ų | 8 | 67.4 Ų | 67.4 | 5% | 0.054 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71.2 | -26.9 | -178.9 | -77.3 | 0 | 0 | 0 | 0 | 113.8 | C73 T77 N339 L344 S345 | C73-C341 HydrophobicContact CB-CB 3.58Å; C73-C341 WeakPolarHBondContact CB-SG 3.47Å; C73-C341 WeakPolarHBondContact SG-CB 3.37Å; C73-C341 CovalentContact SG-SG 2.03Å; C73-C341 PolarHBondContact SG-SG 2.93Å; T77-C341 WeakPolarHBondContact OG1-CB 3.24Å; T77-C341 PolarHBondContact OG1-SG 3.44Å; N339-C341 PolarHBondContact O-N 3.36Å; C341-L344 PolarHBondContact O-N 3.14Å; C341-S345 WeakPolarHBondContact O-CB 3.44Å; C341-S345 PolarHBondContact O-N 3.41Å; C341-S345 PolarHBondContact O-OG 2.93Å |
| 342 | E | 88.3 | Confident | 89.6 | Confident | 158 Ų | 158 | 64.2 Ų | 64.2 | 74% | 0.738 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -67.2 | -48.8 | 172.8 | -175.1 | 179.6 | 175.4 | 0 | 0 | 110.5 | N339 L344 S345 F346 | N339-E342 PolarHBondContact O-N 2.86Å; E342-L344 VanDerWaalsContact C-N 3.3Å; E342-L344 PolarHBondContact O-N 3.48Å; E342-S345 WeakPolarHBondContact O-CB 3.3Å; E342-S345 PolarHBondContact O-N 3.31Å; E342-S345 VanDerWaalsContact O-N 3.15Å; E342-F346 PolarHBondContact O-N 2.87Å; E342-F346 VanDerWaalsContact O-N 3.07Å |
| 343 | L | 89.8 | Confident | 89.8 | Confident | 57 Ų | 57 | 62.9 Ų | 62.9 | 30% | 0.298 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 175.5 | -176 | 64 | 0 | 0 | 0 | 111.7 | I332 R340 F346 F347 | I332-L343 HydrophobicContact CG2-CD2 3.86Å; R340-L343 PolarHBondContact O-N 2.71Å; L343-F346 PolarHBondContact O-N 3.12Å; L343-F347 HydrophobicContact CD1-CD2 4.33Å; L343-F347 HydrophobicContact CD1-CE2 3.73Å; L343-F347 HydrophobicContact CD1-CZ 3.94Å; L343-F347 HydrophobicContact CD2-CE2 3.83Å; L343-F347 HydrophobicContact CG-CD2 3.94Å; L343-F347 HydrophobicContact CG-CE2 3.47Å; L343-F347 VanDerWaalsContact CG-CE2 3.47Å; L343-F347 HydrophobicContact CG-CZ 4.19Å; L343-F347 VanDerWaalsContact O-CD2 3.26Å; L343-F347 WeakPolarHBondContact O-CD2 3.4Å; L343-F347 PolarHBondContact O-N 3.1Å |
| 344 | L | 89.8 | Confident | 90.1 | Very high | 31 Ų | 31 | 59.9 Ų | 59.9 | 16% | 0.162 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 174.5 | -174.6 | 61.4 | 0 | 0 | 0 | 112 | T77 Y333 R340 C341 E342 F346 F347 L348 | T77-L344 HydrophobicContact CG2-CD2 4.02Å; T77-L344 HydrophobicContact CG2-CG 4.17Å; Y333-L344 HydrophobicContact CE2-CB 4.19Å; Y333-L344 HydrophobicContact CE2-CD1 4.34Å; R340-L344 WeakPolarHBondContact O-CB 3.42Å; R340-L344 PolarHBondContact O-N 2.03Å; C341-L344 PolarHBondContact O-N 3.14Å; E342-L344 VanDerWaalsContact C-N 3.3Å; E342-L344 PolarHBondContact O-N 3.48Å; L344-F346 VanDerWaalsContact C-N 3.33Å; L344-F346 PolarHBondContact O-N 3.27Å; L344-F347 PolarHBondContact O-N 3.45Å; L344-L348 WeakPolarHBondContact O-CG 3.44Å; L344-L348 PolarHBondContact O-N 3.05Å |
| 345 | S | 90.9 | Very high | 90.4 | Very high | 20 Ų | 20 | 57.5 Ų | 57.5 | 14% | 0.14 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 176.7 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | T77 E78 C341 E342 L348 V349 | T77-S345 WeakPolarHBondContact CA-OG 3.36Å; E78-S345 PolarHBondContact N-OG 3.19Å; C341-S345 WeakPolarHBondContact O-CB 3.44Å; C341-S345 PolarHBondContact O-N 3.41Å; C341-S345 PolarHBondContact O-OG 2.93Å; E342-S345 WeakPolarHBondContact O-CB 3.3Å; E342-S345 PolarHBondContact O-N 3.31Å; E342-S345 VanDerWaalsContact O-N 3.15Å; S345-L348 PolarHBondContact O-N 3.12Å; S345-V349 PolarHBondContact O-N 3.13Å |
| 346 | F | 91.5 | Very high | 90.8 | Very high | 114 Ų | 114 | 52.2 Ų | 52.2 | 50% | 0.5 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 172.5 | 175.9 | -103.4 | 0 | 0 | 0 | 112.4 | E342 L343 L344 L348 V349 L350 | E342-F346 PolarHBondContact O-N 2.87Å; E342-F346 VanDerWaalsContact O-N 3.07Å; L343-F346 PolarHBondContact O-N 3.12Å; L344-F346 VanDerWaalsContact C-N 3.33Å; L344-F346 PolarHBondContact O-N 3.27Å; F346-L348 VanDerWaalsContact C-N 3.33Å; F346-L348 PolarHBondContact O-N 3.31Å; F346-V349 PolarHBondContact O-N 3.22Å; F346-L350 HydrophobicContact CD1-CD1 3.99Å; F346-L350 HydrophobicContact CD1-CG 4.48Å; F346-L350 HydrophobicContact CE1-CD1 3.29Å; F346-L350 HydrophobicContact CE1-CG 4.04Å; F346-L350 HydrophobicContact CE2-CD1 4.41Å; F346-L350 HydrophobicContact CE2-CG 4.39Å; F346-L350 HydrophobicContact CZ-CD1 3.55Å; F346-L350 HydrophobicContact CZ-CD2 4.34Å; F346-L350 HydrophobicContact CZ-CG 3.99Å; F346-L350 PolarHBondContact O-N 3.05Å |
| 347 | F | 92.4 | Very high | 91.2 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.9 | -34.8 | 177.1 | -73.2 | -46.7 | 0 | 0 | 0 | 113.2 | L328 K329 L343 L344 V349 L350 D351 | L328-F347 HydrophobicContact CB-CE1 3.57Å; L328-F347 HydrophobicContact CB-CZ 3.92Å; K329-F347 HydrophobicContact CB-CD1 4.36Å; K329-F347 HydrophobicContact CB-CD2 3.97Å; K329-F347 HydrophobicContact CB-CE2 4.08Å; K329-F347 HydrophobicContact CB-CG 4.12Å; K329-F347 HydrophobicContact CB-CZ 4.38Å; K329-F347 HydrophobicContact CG-CD2 4.03Å; K329-F347 HydrophobicContact CG-CE2 4.38Å; K329-F347 HydrophobicContact CG-CG 4.45Å; L343-F347 HydrophobicContact CD1-CD2 4.33Å; L343-F347 HydrophobicContact CD1-CE2 3.73Å; L343-F347 HydrophobicContact CD1-CZ 3.94Å; L343-F347 HydrophobicContact CD2-CE2 3.83Å; L343-F347 HydrophobicContact CG-CD2 3.94Å; L343-F347 HydrophobicContact CG-CE2 3.47Å; L343-F347 VanDerWaalsContact CG-CE2 3.47Å; L343-F347 HydrophobicContact CG-CZ 4.19Å; L343-F347 VanDerWaalsContact O-CD2 3.26Å; L343-F347 WeakPolarHBondContact O-CD2 3.4Å; L343-F347 PolarHBondContact O-N 3.1Å; L344-F347 PolarHBondContact O-N 3.45Å; F347-V349 VanDerWaalsContact C-N 3.34Å; F347-V349 PolarHBondContact O-N 3.06Å; F347-L350 HydrophobicContact CD1-CD1 4.36Å; F347-L350 PolarHBondContact O-N 3.31Å; F347-D351 WeakPolarHBondContact O-CB 3.36Å; F347-D351 PolarHBondContact O-N 3.35Å |
| 348 | L | 91.5 | Very high | 91.5 | Very high | 45 Ų | 45 | 44.6 Ų | 44.6 | 24% | 0.236 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.9 | -44 | 174.1 | -74.4 | 170.8 | 0 | 0 | 0 | 111.4 | T77 I79 L344 S345 F346 D351 Y352 | T77-L348 HydrophobicContact CG2-CD1 3.61Å; I79-L348 HydrophobicContact CD1-CB 4.08Å; I79-L348 HydrophobicContact CD1-CD1 4.38Å; I79-L348 HydrophobicContact CG1-CB 4.25Å; I79-L348 HydrophobicContact CG1-CD1 4.35Å; L344-L348 WeakPolarHBondContact O-CG 3.44Å; L344-L348 PolarHBondContact O-N 3.05Å; S345-L348 PolarHBondContact O-N 3.12Å; F346-L348 VanDerWaalsContact C-N 3.33Å; F346-L348 PolarHBondContact O-N 3.31Å; L348-D351 PolarHBondContact O-N 3.01Å; L348-Y352 WeakPolarHBondContact O-CD2 3.45Å; L348-Y352 PolarHBondContact O-N 3.19Å |
| 349 | V | 93.3 | Very high | 91.8 | Very high | 39 Ų | 39 | 41.8 Ų | 41.8 | 24% | 0.236 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.3 | -48 | 175.1 | 169 | 0 | 0 | 0 | 0 | 110.8 | F83 S345 F346 F347 D351 Y352 I353 | F83-V349 HydrophobicContact CD1-CG2 4.43Å; F83-V349 HydrophobicContact CD2-CG1 4.01Å; F83-V349 HydrophobicContact CE1-CG2 4.47Å; F83-V349 HydrophobicContact CE2-CG1 3.66Å; F83-V349 HydrophobicContact CG-CG2 4.49Å; F83-V349 HydrophobicContact CZ-CB 4.41Å; F83-V349 HydrophobicContact CZ-CG1 3.99Å; S345-V349 PolarHBondContact O-N 3.13Å; F346-V349 PolarHBondContact O-N 3.22Å; F347-V349 VanDerWaalsContact C-N 3.34Å; F347-V349 PolarHBondContact O-N 3.06Å; V349-D351 VanDerWaalsContact C-N 3.35Å; V349-D351 PolarHBondContact O-N 3.4Å; V349-Y352 PolarHBondContact O-N 2.94Å; V349-I353 HydrophobicContact CG1-CD1 3.82Å; V349-I353 VanDerWaalsContact O-CG1 3.3Å; V349-I353 WeakPolarHBondContact O-CG1 3.29Å; V349-I353 PolarHBondContact O-N 3.12Å |
| 350 | L | 93.3 | Very high | 92.1 | Very high | 47 Ų | 47 | 39.2 Ų | 39.2 | 25% | 0.246 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.7 | -38.2 | 176.8 | -71.4 | -175.5 | 0 | 0 | 0 | 113.1 | F346 F347 I353 G354 | F346-L350 HydrophobicContact CD1-CD1 3.99Å; F346-L350 HydrophobicContact CD1-CG 4.48Å; F346-L350 HydrophobicContact CE1-CD1 3.29Å; F346-L350 HydrophobicContact CE1-CG 4.04Å; F346-L350 HydrophobicContact CE2-CD1 4.41Å; F346-L350 HydrophobicContact CE2-CG 4.39Å; F346-L350 HydrophobicContact CZ-CD1 3.55Å; F346-L350 HydrophobicContact CZ-CD2 4.34Å; F346-L350 HydrophobicContact CZ-CG 3.99Å; F346-L350 PolarHBondContact O-N 3.05Å; F347-L350 HydrophobicContact CD1-CD1 4.36Å; F347-L350 PolarHBondContact O-N 3.31Å; L350-I353 PolarHBondContact O-N 2.8Å; L350-G354 PolarHBondContact O-N 3.45Å |
| 351 | D | 93.4 | Very high | 92.2 | Very high | 27 Ų | 27 | 37.9 Ų | 37.9 | 14% | 0.144 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.9 | -47.9 | 176.4 | -91.9 | -32.1 | 0 | 0 | 0 | 110.4 | S325 F347 L348 V349 G354 I355 | S325-D351 PolarHBondContact OG-OD1 3.49Å; S325-D351 VanDerWaalsContact OG-OD1 3.12Å; F347-D351 WeakPolarHBondContact O-CB 3.36Å; F347-D351 PolarHBondContact O-N 3.35Å; L348-D351 PolarHBondContact O-N 3.01Å; V349-D351 VanDerWaalsContact C-N 3.35Å; V349-D351 PolarHBondContact O-N 3.4Å; D351-G354 PolarHBondContact O-N 3.26Å; D351-I355 WeakPolarHBondContact O-CB 3.47Å; D351-I355 WeakPolarHBondContact O-CG1 3.43Å; D351-I355 PolarHBondContact O-N 3.19Å |
| 352 | Y | 94.2 | Very high | 92.3 | Very high | 20 Ų | 20 | 37.6 Ų | 37.6 | 8% | 0.078 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.2 | -39.8 | 178.8 | -81.8 | -69.5 | 0 | 0 | 0 | 112.7 | I79 F83 N87 L145 L348 V349 G354 I355 N356 | I79-Y352 HydrophobicContact CD1-CD2 3.97Å; I79-Y352 HydrophobicContact CD1-CE2 3.61Å; F83-Y352 HydrophobicContact CE1-CD2 4.46Å; F83-Y352 HydrophobicContact CE1-CG 4.37Å; N87-Y352 PolarHBondContact OD1-O 3.32Å; L145-Y352 WeakPolarHBondContact CA-OH 3.29Å; L145-Y352 HydrophobicContact CB-CD1 4.36Å; L145-Y352 HydrophobicContact CB-CE1 3.7Å; L145-Y352 HydrophobicContact CD1-CD1 4.21Å; L145-Y352 HydrophobicContact CD1-CD2 3.84Å; L145-Y352 HydrophobicContact CD1-CE1 4.02Å; L145-Y352 HydrophobicContact CD1-CE2 3.63Å; L145-Y352 HydrophobicContact CD1-CG 4.14Å; L145-Y352 HydrophobicContact CD2-CD1 4.33Å; L145-Y352 HydrophobicContact CD2-CE1 4.46Å; L145-Y352 HydrophobicContact CG-CE1 4.28Å; L145-Y352 PolarHBondContact N-OH 3.1Å; L348-Y352 WeakPolarHBondContact O-CD2 3.45Å; L348-Y352 PolarHBondContact O-N 3.19Å; V349-Y352 PolarHBondContact O-N 2.94Å; Y352-G354 VanDerWaalsContact C-N 3.35Å; Y352-I355 PolarHBondContact O-N 3.04Å; Y352-N356 PolarHBondContact O-N 2.79Å |
| 353 | I | 94.5 | Very high | 92.4 | Very high | 67 Ų | 67 | 30.5 Ų | 30.5 | 34% | 0.344 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -59.8 | -48 | 171.3 | -69 | 169.3 | 0 | 0 | 0 | 109.9 | F83 V349 L350 I355 N356 M357 | F83-I353 HydrophobicContact CE2-CD1 4.01Å; F83-I353 HydrophobicContact CE2-CG1 3.73Å; F83-I353 HydrophobicContact CZ-CG1 3.99Å; V349-I353 HydrophobicContact CG1-CD1 3.82Å; V349-I353 VanDerWaalsContact O-CG1 3.3Å; V349-I353 WeakPolarHBondContact O-CG1 3.29Å; V349-I353 PolarHBondContact O-N 3.12Å; L350-I353 PolarHBondContact O-N 2.8Å; I353-I355 PolarHBondContact O-N 2.89Å; I353-N356 PolarHBondContact O-N 3.49Å; I353-M357 HydrophobicContact CG2-CG 4.18Å; I353-M357 WeakPolarHBondContact O-CB 3.21Å; I353-M357 VanDerWaalsContact O-CG 3.26Å; I353-M357 WeakPolarHBondContact O-CG 3.37Å; I353-M357 PolarHBondContact O-N 3.28Å |
| 354 | G | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.6 | -40.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | L350 D351 Y352 M357 A358 | L350-G354 PolarHBondContact O-N 3.45Å; D351-G354 PolarHBondContact O-N 3.26Å; Y352-G354 VanDerWaalsContact C-N 3.35Å; G354-M357 PolarHBondContact O-N 3.3Å; G354-A358 VanDerWaalsContact O-CB 3.28Å; G354-A358 WeakPolarHBondContact O-CB 3.49Å; G354-A358 PolarHBondContact O-N 2.96Å |
| 355 | I | 93.6 | Very high | 92.1 | Very high | 34 Ų | 34 | 28.6 Ų | 28.6 | 17% | 0.174 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 174.7 | -73.7 | 165.7 | 0 | 0 | 0 | 110.9 | N141 L322 D351 Y352 I353 S359 | N141-I355 HydrophobicContact CB-CG2 4.26Å; N141-I355 WeakPolarHBondContact ND2-CG2 3.27Å; L322-I355 HydrophobicContact CD1-CG1 4.02Å; D351-I355 WeakPolarHBondContact O-CB 3.47Å; D351-I355 WeakPolarHBondContact O-CG1 3.43Å; D351-I355 PolarHBondContact O-N 3.19Å; Y352-I355 PolarHBondContact O-N 3.04Å; I353-I355 PolarHBondContact O-N 2.89Å; I355-S359 WeakPolarHBondContact O-CB 3.39Å; I355-S359 PolarHBondContact O-N 3.02Å; I355-S359 PolarHBondContact O-OG 3.42Å |
| 356 | N | 93.9 | Very high | 91.9 | Very high | 9 Ų | 9 | 27.9 Ų | 27.9 | 5% | 0.048 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.3 | -45.8 | 176.8 | -95 | -35.8 | 0 | 0 | 0 | 111.7 | N87 V90 S91 Y352 I353 A358 S359 V360 | N87-N356 PolarHBondContact ND2-ND2 2.85Å; N87-N356 VanDerWaalsContact ND2-ND2 3.11Å; N87-N356 PolarHBondContact O-ND2 3.46Å; N87-N356 PolarHBondContact OD1-ND2 3.29Å; V90-N356 HydrophobicContact CG1-CB 4.43Å; S91-N356 WeakPolarHBondContact CA-OD1 3.16Å; S91-N356 VanDerWaalsContact OG-CG 3.27Å; S91-N356 PolarHBondContact OG-ND2 3Å; S91-N356 PolarHBondContact OG-OD1 3.46Å; Y352-N356 PolarHBondContact O-N 2.79Å; I353-N356 PolarHBondContact O-N 3.49Å; N356-A358 PolarHBondContact O-N 3.23Å; N356-S359 CarbonylContact O-C 3.55Å; N356-S359 WeakPolarHBondContact O-CA 3.44Å; N356-S359 WeakPolarHBondContact O-CB 3.19Å; N356-S359 PolarHBondContact O-N 2.65Å; N356-V360 WeakPolarHBondContact O-CG2 3.47Å; N356-V360 PolarHBondContact O-N 2.81Å |
| 357 | M | 93.9 | Very high | 91.8 | Very high | 73 Ų | 73 | 26.5 Ų | 26.5 | 36% | 0.36 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -59.8 | -43.7 | 175.8 | -69.6 | -71.2 | -86.2 | 0 | 0 | 111.7 | C318 P321 I353 G354 S359 V360 N361 | C318-M357 VanDerWaalsContact CB-O 3.27Å; C318-M357 WeakPolarHBondContact CB-O 3.36Å; C318-M357 CarbonylContact O-C 3.31Å; C318-M357 VanDerWaalsContact O-C 3.31Å; C318-M357 WeakPolarHBondContact O-CB 3.33Å; P321-M357 HydrophobicContact CG-CB 4.49Å; P321-M357 HydrophobicContact CG-CE 4.49Å; P321-M357 HydrophobicContact CG-CG 4.48Å; I353-M357 HydrophobicContact CG2-CG 4.18Å; I353-M357 WeakPolarHBondContact O-CB 3.21Å; I353-M357 VanDerWaalsContact O-CG 3.26Å; I353-M357 WeakPolarHBondContact O-CG 3.37Å; I353-M357 PolarHBondContact O-N 3.28Å; G354-M357 PolarHBondContact O-N 3.3Å; M357-S359 PolarHBondContact O-N 2.94Å; M357-V360 WeakPolarHBondContact O-CB 3Å; M357-V360 PolarHBondContact O-N 3.44Å; M357-V360 VanDerWaalsContact O-N 3.15Å; M357-N361 PolarHBondContact O-N 2.88Å |
| 358 | A | 92.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 27 Ų | 27 | 2% | 0.017 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.9 | -34 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | C318 W319 L322 G354 N356 N361 | C318-A358 PolarHBondContact O-N 3.42Å; W319-A358 HydrophobicContact CD2-CB 4.19Å; W319-A358 HydrophobicContact CE3-CB 4.16Å; W319-A358 HydrophobicContact CH2-CB 3.99Å; W319-A358 HydrophobicContact CZ2-CB 4.12Å; W319-A358 HydrophobicContact CZ3-CB 4.06Å; L322-A358 HydrophobicContact CD2-CB 4.2Å; G354-A358 VanDerWaalsContact O-CB 3.28Å; G354-A358 WeakPolarHBondContact O-CB 3.49Å; G354-A358 PolarHBondContact O-N 2.96Å; N356-A358 PolarHBondContact O-N 3.23Å; A358-N361 VanDerWaalsContact O-CB 3.26Å; A358-N361 WeakPolarHBondContact O-CB 3.24Å; A358-N361 PolarHBondContact O-N 2.85Å |
| 359 | S | 92.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -76.3 | -29.1 | 176.5 | -55.1 | 0 | 0 | 0 | 0 | 112.7 | H133 I355 N356 M357 N361 S362 | H133-S359 PolarHBondContact NE2-OG 3.49Å; I355-S359 WeakPolarHBondContact O-CB 3.39Å; I355-S359 PolarHBondContact O-N 3.02Å; I355-S359 PolarHBondContact O-OG 3.42Å; N356-S359 CarbonylContact O-C 3.55Å; N356-S359 WeakPolarHBondContact O-CA 3.44Å; N356-S359 WeakPolarHBondContact O-CB 3.19Å; N356-S359 PolarHBondContact O-N 2.65Å; M357-S359 PolarHBondContact O-N 2.94Å; S359-N361 VanDerWaalsContact C-N 3.26Å; S359-N361 PolarHBondContact O-N 3.49Å; S359-S362 WeakPolarHBondContact O-CB 3.24Å; S359-S362 PolarHBondContact O-N 2.87Å |
| 360 | V | 93 | Very high | 90.5 | Very high | 39 Ų | 39 | 27.3 Ų | 27.3 | 24% | 0.236 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.1 | -35.8 | 170.9 | 168.4 | 0 | 0 | 0 | 0 | 110.8 | V94 N356 M357 S362 C363 I364 | V94-V360 HydrophobicContact CG2-CG2 3.55Å; N356-V360 WeakPolarHBondContact O-CG2 3.47Å; N356-V360 PolarHBondContact O-N 2.81Å; M357-V360 WeakPolarHBondContact O-CB 3Å; M357-V360 PolarHBondContact O-N 3.44Å; M357-V360 VanDerWaalsContact O-N 3.15Å; V360-S362 PolarHBondContact O-N 2.88Å; V360-C363 WeakPolarHBondContact O-CA 3.45Å; V360-C363 WeakPolarHBondContact O-CB 3.39Å; V360-C363 PolarHBondContact O-N 3.06Å; V360-I364 HydrophobicContact CG1-CD1 3.57Å; V360-I364 HydrophobicContact CG1-CG1 3.96Å; V360-I364 WeakPolarHBondContact O-CG1 3.04Å; V360-I364 PolarHBondContact O-N 3.37Å |
| 361 | N | 90.5 | Very high | 89.9 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -52.2 | -43.7 | 174.8 | -175.7 | 66.4 | 0 | 0 | 0 | 112.3 | F315 C318 W319 M357 A358 S359 C363 I364 | F315-N361 WeakPolarHBondContact CA-OD1 3.47Å; C318-N361 HydrophobicContact CB-CB 3.72Å; W319-N361 PolarHBondContact NE1-ND2 3.25Å; W319-N361 VanDerWaalsContact NE1-ND2 3.18Å; M357-N361 PolarHBondContact O-N 2.88Å; A358-N361 VanDerWaalsContact O-CB 3.26Å; A358-N361 WeakPolarHBondContact O-CB 3.24Å; A358-N361 PolarHBondContact O-N 2.85Å; S359-N361 VanDerWaalsContact C-N 3.26Å; S359-N361 PolarHBondContact O-N 3.49Å; N361-C363 PolarHBondContact O-N 2.75Å; N361-I364 PolarHBondContact O-N 3.05Å |
| 362 | S | 90.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.9 | -22.3 | 177.3 | -65.8 | 0 | 0 | 0 | 0 | 113.4 | N102 D130 S359 V360 | N102-S362 PolarHBondContact ND2-O 3.02Å; D130-S362 WeakPolarHBondContact OD1-CA 3.1Å; D130-S362 VanDerWaalsContact OD1-CB 3.26Å; D130-S362 WeakPolarHBondContact OD1-CB 3.37Å; D130-S362 PolarHBondContact OD1-OG 3.01Å; S359-S362 WeakPolarHBondContact O-CB 3.24Å; S359-S362 PolarHBondContact O-N 2.87Å; V360-S362 PolarHBondContact O-N 2.88Å |
| 363 | C | 90.4 | Very high | 88 | Confident | 9 Ų | 9 | 34.1 Ų | 34.1 | 6% | 0.061 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -87.9 | -29.1 | 177.2 | -59.9 | 0 | 0 | 0 | 0 | 112.7 | V94 V97 G98 V360 N361 N365 P366 I367 | V94-C363 WeakPolarHBondContact CG1-SG 3.37Å; V94-C363 PolarHBondContact O-SG 3.4Å; V97-C363 HydrophobicContact CG1-CB 4.29Å; G98-C363 WeakPolarHBondContact CA-SG 3.33Å; V360-C363 WeakPolarHBondContact O-CA 3.45Å; V360-C363 WeakPolarHBondContact O-CB 3.39Å; V360-C363 PolarHBondContact O-N 3.06Å; N361-C363 PolarHBondContact O-N 2.75Å; C363-N365 VanDerWaalsContact C-N 3.31Å; C363-N365 PolarHBondContact O-N 3.08Å; C363-P366 WeakPolarHBondContact O-CD 3.48Å; C363-I367 WeakPolarHBondContact O-CD1 3.32Å; C363-I367 WeakPolarHBondContact O-CG1 3.32Å |
| 364 | I | 88.9 | Confident | 87.1 | Confident | 39 Ų | 39 | 39.3 Ų | 39.3 | 20% | 0.2 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71 | -29.6 | -178.9 | -66.8 | 168.7 | 0 | 0 | 0 | 111.1 | V314 V360 N361 I367 A368 | V314-I364 HydrophobicContact CB-CG2 4.47Å; V314-I364 HydrophobicContact CG1-CB 3.94Å; V314-I364 HydrophobicContact CG1-CD1 3.36Å; V314-I364 HydrophobicContact CG1-CG1 4.24Å; V314-I364 HydrophobicContact CG1-CG2 3.73Å; V314-I364 HydrophobicContact CG2-CD1 4.48Å; V314-I364 HydrophobicContact CG2-CG2 4.15Å; V360-I364 HydrophobicContact CG1-CD1 3.57Å; V360-I364 HydrophobicContact CG1-CG1 3.96Å; V360-I364 WeakPolarHBondContact O-CG1 3.04Å; V360-I364 PolarHBondContact O-N 3.37Å; N361-I364 PolarHBondContact O-N 3.05Å; I364-I367 CarbonylContact O-C 3.58Å; I364-I367 WeakPolarHBondContact O-CB 3.3Å; I364-I367 PolarHBondContact O-N 2.94Å; I364-A368 HydrophobicContact CG2-CB 4.26Å; I364-A368 WeakPolarHBondContact O-CB 3.45Å; I364-A368 PolarHBondContact O-N 2.79Å |
| 365 | N | 84.9 | Confident | 86.3 | Confident | 9 Ų | 9 | 43.4 Ų | 43.4 | 5% | 0.048 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -52.1 | -55.4 | -177.5 | -70.5 | -24.1 | 0 | 0 | 0 | 113.6 | D130 C363 I367 L369 | D130-N365 PolarHBondContact OD2-ND2 2.93Å; C363-N365 VanDerWaalsContact C-N 3.31Å; C363-N365 PolarHBondContact O-N 3.08Å; N365-I367 PolarHBondContact O-N 2.86Å; N365-L369 WeakPolarHBondContact O-CG 3.47Å; N365-L369 PolarHBondContact O-N 2.95Å; N365-L369 VanDerWaalsContact O-N 3.14Å |
| 366 | P | 87.8 | Confident | 85.7 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.5 | -39 | 172.7 | -25.7 | 33.1 | 0 | 0 | 0 | 114.5 | G101 N102 L105 C363 L369 Y370 F380 | G101-P366 VanDerWaalsContact C-CG 3.47Å; N102-P366 WeakPolarHBondContact OD1-CG 3.17Å; L105-P366 HydrophobicContact CD2-CG 4.3Å; C363-P366 WeakPolarHBondContact O-CD 3.48Å; P366-L369 PolarHBondContact O-N 2.81Å; P366-Y370 WeakPolarHBondContact O-CB 3.34Å; P366-Y370 PolarHBondContact O-N 3.43Å; P366-F380 HydrophobicContact CB-CZ 4.07Å |
| 367 | I | 88.1 | Confident | 85.3 | Confident | 86 Ų | 86 | 45 Ų | 45 | 44% | 0.441 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.5 | -46.2 | -178 | -60.6 | 171.6 | 0 | 0 | 0 | 110.2 | V97 C363 I364 N365 L369 Y370 M371 | V97-I367 HydrophobicContact CG1-CD1 4.3Å; C363-I367 WeakPolarHBondContact O-CD1 3.32Å; C363-I367 WeakPolarHBondContact O-CG1 3.32Å; I364-I367 CarbonylContact O-C 3.58Å; I364-I367 WeakPolarHBondContact O-CB 3.3Å; I364-I367 PolarHBondContact O-N 2.94Å; N365-I367 PolarHBondContact O-N 2.86Å; I367-L369 VanDerWaalsContact C-N 3.34Å; I367-L369 PolarHBondContact O-N 3.35Å; I367-Y370 WeakPolarHBondContact O-CB 3.31Å; I367-Y370 PolarHBondContact O-N 3.36Å; I367-M371 WeakPolarHBondContact O-CG 3.27Å; I367-M371 PolarHBondContact O-N 3.34Å |
| 368 | A | 83.5 | Confident | 84.7 | Confident | 13 Ų | 13 | 45.2 Ų | 45.2 | 11% | 0.107 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.9 | -45 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L311 I364 Y370 M371 V372 | L311-A368 HydrophobicContact CD2-CB 3.55Å; I364-A368 HydrophobicContact CG2-CB 4.26Å; I364-A368 WeakPolarHBondContact O-CB 3.45Å; I364-A368 PolarHBondContact O-N 2.79Å; A368-Y370 VanDerWaalsContact C-N 3.34Å; A368-Y370 PolarHBondContact O-N 2.88Å; A368-M371 PolarHBondContact O-N 3.23Å; A368-V372 WeakPolarHBondContact O-CB 3.37Å; A368-V372 VanDerWaalsContact O-CG2 3.27Å; A368-V372 WeakPolarHBondContact O-CG2 3.46Å; A368-V372 PolarHBondContact O-N 2.98Å |
| 369 | L | 82.3 | Confident | 84.3 | Confident | 23 Ų | 23 | 45.4 Ų | 45.4 | 12% | 0.12 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.9 | -37.3 | 176.3 | -69.7 | 172.1 | 0 | 0 | 0 | 112.8 | L105 I123 N365 P366 I367 S373 F376 | L105-L369 HydrophobicContact CD1-CD1 4.01Å; L105-L369 HydrophobicContact CD2-CD1 3.75Å; I123-L369 HydrophobicContact CD1-CD1 4.36Å; I123-L369 HydrophobicContact CD1-CD2 4.01Å; I123-L369 HydrophobicContact CG2-CD1 3.51Å; N365-L369 WeakPolarHBondContact O-CG 3.47Å; N365-L369 PolarHBondContact O-N 2.95Å; N365-L369 VanDerWaalsContact O-N 3.14Å; P366-L369 PolarHBondContact O-N 2.81Å; I367-L369 VanDerWaalsContact C-N 3.34Å; I367-L369 PolarHBondContact O-N 3.35Å; L369-S373 WeakPolarHBondContact O-CB 3.48Å; L369-S373 PolarHBondContact O-N 3.49Å; L369-F376 HydrophobicContact CB-CD2 4.44Å; L369-F376 HydrophobicContact CB-CG 4.46Å; L369-F376 HydrophobicContact CD2-CD2 4.37Å; L369-F376 HydrophobicContact CD2-CE2 4.35Å |
| 370 | Y | 85.4 | Confident | 83.9 | Confident | 68 Ų | 68 | 45.7 Ų | 45.7 | 27% | 0.267 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.4 | -42.6 | 173.9 | 175.2 | -94.1 | 0 | 0 | 0 | 112.4 | P366 I367 A368 K377 F380 R381 | P366-Y370 WeakPolarHBondContact O-CB 3.34Å; P366-Y370 PolarHBondContact O-N 3.43Å; I367-Y370 WeakPolarHBondContact O-CB 3.31Å; I367-Y370 PolarHBondContact O-N 3.36Å; A368-Y370 VanDerWaalsContact C-N 3.34Å; A368-Y370 PolarHBondContact O-N 2.88Å; Y370-K377 HydrophobicContact CD2-CB 4.28Å; Y370-K377 HydrophobicContact CD2-CG 4.01Å; Y370-K377 HydrophobicContact CE1-CG 4.38Å; Y370-K377 HydrophobicContact CE2-CB 4.31Å; Y370-K377 HydrophobicContact CE2-CG 3.59Å; Y370-K377 WeakPolarHBondContact O-CB 3.31Å; Y370-F380 HydrophobicContact CD2-CB 3.59Å; Y370-F380 HydrophobicContact CD2-CD2 4.01Å; Y370-F380 HydrophobicContact CD2-CG 4.02Å; Y370-F380 HydrophobicContact CE2-CB 4.01Å; Y370-R381 HydrophobicContact CE2-CG 4.23Å; Y370-R381 PolarHBondContact OH-NE 2.77Å |
| 371 | M | 79.9 | Confident | 83.5 | Confident | 136 Ų | 136 | 48.7 Ų | 48.7 | 67% | 0.67 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -72.6 | -37.5 | -178.2 | -69.7 | -60.1 | -71.8 | 0 | 0 | 112.4 | I367 A368 | I367-M371 WeakPolarHBondContact O-CG 3.27Å; I367-M371 PolarHBondContact O-N 3.34Å; A368-M371 PolarHBondContact O-N 3.23Å |
| 372 | V | 71.9 | Confident | 83.1 | Confident | 68 Ų | 68 | 51.3 Ų | 51.3 | 41% | 0.412 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -84 | -48.7 | -173.4 | 163.2 | 0 | 0 | 0 | 0 | 112.7 | T307 A368 | T307-V372 HydrophobicContact CG2-CB 4Å; T307-V372 HydrophobicContact CG2-CG1 3.74Å; T307-V372 HydrophobicContact CG2-CG2 3.61Å; T307-V372 WeakPolarHBondContact OG1-CG1 3.43Å; T307-V372 WeakPolarHBondContact OG1-CG2 3.36Å; A368-V372 WeakPolarHBondContact O-CB 3.37Å; A368-V372 VanDerWaalsContact O-CG2 3.27Å; A368-V372 WeakPolarHBondContact O-CG2 3.46Å; A368-V372 PolarHBondContact O-N 2.98Å |
| 373 | S | 76.3 | Confident | 82.5 | Confident | 34 Ų | 34 | 52.9 Ų | 52.9 | 24% | 0.238 | 26% | 0.262 | C | S | . | . | trans | -100.7 | 111 | -166.6 | 172 | 0 | 0 | 0 | 0 | 110.1 | L369 R375 F376 K377 | L369-S373 WeakPolarHBondContact O-CB 3.48Å; L369-S373 PolarHBondContact O-N 3.49Å; S373-R375 PolarHBondContact O-N 3.36Å; S373-R375 PolarHBondContact OG-N 3.32Å; S373-F376 PolarHBondContact O-N 3.11Å; S373-F376 VanDerWaalsContact O-N 3.08Å; S373-F376 WeakPolarHBondContact OG-CD2 3.34Å; S373-F376 PolarHBondContact OG-N 3.3Å; S373-K377 WeakPolarHBondContact O-CB 3.3Å; S373-K377 PolarHBondContact O-N 3.39Å | ||
| 374 | K | 75.3 | Confident | 82.1 | Confident | 176 Ų | 176 | 57.1 Ų | 57.1 | 77% | 0.765 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -49.7 | -36.9 | 173 | -69.2 | -174.2 | 179.4 | -176.9 | 0 | 111.9 | K377 N378 | K374-K377 WeakPolarHBondContact O-CB 3.36Å; K374-N378 PolarHBondContact O-N 2.83Å; K374-N378 PolarHBondContact O-OD1 2.93Å |
| 375 | R | 77.5 | Confident | 81.4 | Confident | 86 Ų | 86 | 58 Ų | 58 | 33% | 0.325 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.6 | -47.7 | 179.6 | -167.2 | 171.1 | -174.5 | -167.8 | -5.6 | 112.6 | C114 M115 S373 N378 C379 E397 | C114-R375 VanDerWaalsContact C-NH2 3.3Å; C114-R375 PolarHBondContact O-NH1 2.93Å; C114-R375 VanDerWaalsContact O-NH1 3.13Å; C114-R375 PolarHBondContact O-NH2 2.87Å; M115-R375 HydrophobicContact CE-CG 4.32Å; M115-R375 WeakPolarHBondContact SD-CD 3.49Å; M115-R375 HydrophobicContact SD-CG 3.75Å; M115-R375 PolarHBondContact SD-NE 3.33Å; S373-R375 PolarHBondContact O-N 3.36Å; S373-R375 PolarHBondContact OG-N 3.32Å; R375-N378 PolarHBondContact O-N 2.9Å; R375-C379 PolarHBondContact O-N 2.98Å; R375-C379 PolarHBondContact O-SG 3.36Å; R375-E397 IonicContact CZ-OE1 2.67Å; R375-E397 IonicContact NE-OE1 2.65Å; R375-E397 PolarHBondContact NE-OE1 2.96Å; R375-E397 IonicContact NH2-OE1 3.47Å; R375-E397 PolarHBondContact NH2-OE1 2.91Å |
| 376 | F | 81.8 | Confident | 80.2 | Confident | 7 Ų | 7 | 61.9 Ų | 61.9 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.2 | -43 | 174.2 | -80.7 | -70.7 | 0 | 0 | 0 | 110.8 | L105 I108 I109 M115 I123 L369 S373 N378 C379 F380 | L105-F376 HydrophobicContact CD1-CD1 3.95Å; L105-F376 HydrophobicContact CD1-CE1 3.6Å; L105-F376 HydrophobicContact CD1-CZ 4.42Å; I108-F376 HydrophobicContact CG2-CD1 4.44Å; I109-F376 HydrophobicContact CG1-CE1 4.37Å; M115-F376 HydrophobicContact CE-CD1 3.51Å; M115-F376 HydrophobicContact CE-CD2 4.07Å; M115-F376 HydrophobicContact CE-CE1 3.24Å; M115-F376 HydrophobicContact CE-CE2 3.83Å; M115-F376 HydrophobicContact CE-CG 3.92Å; M115-F376 HydrophobicContact CE-CZ 3.41Å; M115-F376 VanDerWaalsContact CE-CZ 3.41Å; I123-F376 HydrophobicContact CD1-CE2 4.38Å; I123-F376 HydrophobicContact CD1-CZ 4.4Å; L369-F376 HydrophobicContact CB-CD2 4.44Å; L369-F376 HydrophobicContact CB-CG 4.46Å; L369-F376 HydrophobicContact CD2-CD2 4.37Å; L369-F376 HydrophobicContact CD2-CE2 4.35Å; S373-F376 PolarHBondContact O-N 3.11Å; S373-F376 VanDerWaalsContact O-N 3.08Å; S373-F376 WeakPolarHBondContact OG-CD2 3.34Å; S373-F376 PolarHBondContact OG-N 3.3Å; F376-N378 VanDerWaalsContact C-N 3.34Å; F376-N378 PolarHBondContact O-N 3.5Å; F376-C379 PolarHBondContact O-N 3.01Å; F376-C379 VanDerWaalsContact O-N 3.12Å; F376-F380 HydrophobicContact CB-CD2 4.17Å; F376-F380 HydrophobicContact CB-CE2 4.18Å; F376-F380 HydrophobicContact CD1-CE2 4.4Å; F376-F380 WeakPolarHBondContact O-CB 3.17Å; F376-F380 WeakPolarHBondContact O-CD2 3.28Å; F376-F380 PolarHBondContact O-N 2.79Å |
| 377 | K | 84.2 | Confident | 78.3 | Confident | 69 Ų | 69 | 74.1 Ų | 74.1 | 30% | 0.3 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -50.6 | -50.3 | 175.5 | -169.6 | 176.7 | -178.7 | 171.5 | 0 | 112.5 | Y370 S373 K374 F380 R381 | Y370-K377 HydrophobicContact CD2-CB 4.28Å; Y370-K377 HydrophobicContact CD2-CG 4.01Å; Y370-K377 HydrophobicContact CE1-CG 4.38Å; Y370-K377 HydrophobicContact CE2-CB 4.31Å; Y370-K377 HydrophobicContact CE2-CG 3.59Å; Y370-K377 WeakPolarHBondContact O-CB 3.31Å; S373-K377 WeakPolarHBondContact O-CB 3.3Å; S373-K377 PolarHBondContact O-N 3.39Å; K374-K377 WeakPolarHBondContact O-CB 3.36Å; K377-F380 PolarHBondContact O-N 2.75Å; K377-R381 WeakPolarHBondContact O-CG 3.31Å; K377-R381 PolarHBondContact O-N 3.21Å |
| 378 | N | 82.7 | Confident | 76.1 | Confident | 78 Ų | 78 | 74.8 Ų | 74.8 | 42% | 0.417 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 179.3 | -68.5 | -5 | 0 | 0 | 0 | 111.7 | K374 R375 F376 R381 S382 | K374-N378 PolarHBondContact O-N 2.83Å; K374-N378 PolarHBondContact O-OD1 2.93Å; R375-N378 PolarHBondContact O-N 2.9Å; F376-N378 VanDerWaalsContact C-N 3.34Å; F376-N378 PolarHBondContact O-N 3.5Å; N378-R381 PolarHBondContact O-N 2.75Å; N378-S382 WeakPolarHBondContact O-CB 3.19Å; N378-S382 PolarHBondContact O-N 3.09Å |
| 379 | C | 83.3 | Confident | 74.1 | Confident | 5 Ų | 5 | 77 Ų | 77 | 3% | 0.034 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 176.5 | -65.8 | 0 | 0 | 0 | 0 | 112.5 | I108 N112 R375 F376 S382 C383 | I108-C379 HydrophobicContact CB-CB 4.39Å; I108-C379 HydrophobicContact CD1-CB 3.8Å; I108-C379 HydrophobicContact CG1-CB 3.93Å; I108-C379 HydrophobicContact CG2-CB 3.53Å; N112-C379 PolarHBondContact ND2-SG 3.27Å; R375-C379 PolarHBondContact O-N 2.98Å; R375-C379 PolarHBondContact O-SG 3.36Å; F376-C379 PolarHBondContact O-N 3.01Å; F376-C379 VanDerWaalsContact O-N 3.12Å; C379-S382 PolarHBondContact O-N 3.3Å; C379-C383 WeakPolarHBondContact O-CB 3.45Å; C379-C383 PolarHBondContact O-N 2.91Å; C379-C383 PolarHBondContact O-SG 3.46Å; C379-C383 VanDerWaalsContact O-SG 3.32Å |
| 380 | F | 84.8 | Confident | 72.2 | Confident | 8 Ų | 8 | 80.1 Ų | 80.1 | 4% | 0.035 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.3 | -46.2 | 175.2 | -85.8 | -68.7 | 0 | 0 | 0 | 111.4 | T104 L105 I108 P366 Y370 F376 K377 S382 C383 L384 | T104-F380 HydrophobicContact CG2-CD1 3.58Å; T104-F380 HydrophobicContact CG2-CE1 3.71Å; L105-F380 HydrophobicContact CB-CZ 4.04Å; L105-F380 HydrophobicContact CD1-CE2 4.42Å; L105-F380 HydrophobicContact CD1-CZ 4.11Å; I108-F380 HydrophobicContact CD1-CB 4.42Å; I108-F380 HydrophobicContact CD1-CD1 3.75Å; I108-F380 HydrophobicContact CD1-CD2 4.06Å; I108-F380 HydrophobicContact CD1-CE1 3.95Å; I108-F380 HydrophobicContact CD1-CE2 4.23Å; I108-F380 HydrophobicContact CD1-CG 3.79Å; I108-F380 HydrophobicContact CD1-CZ 4.18Å; P366-F380 HydrophobicContact CB-CZ 4.07Å; Y370-F380 HydrophobicContact CD2-CB 3.59Å; Y370-F380 HydrophobicContact CD2-CD2 4.01Å; Y370-F380 HydrophobicContact CD2-CG 4.02Å; Y370-F380 HydrophobicContact CE2-CB 4.01Å; F376-F380 HydrophobicContact CB-CD2 4.17Å; F376-F380 HydrophobicContact CB-CE2 4.18Å; F376-F380 HydrophobicContact CD1-CE2 4.4Å; F376-F380 WeakPolarHBondContact O-CB 3.17Å; F376-F380 WeakPolarHBondContact O-CD2 3.28Å; F376-F380 PolarHBondContact O-N 2.79Å; K377-F380 PolarHBondContact O-N 2.75Å; F380-S382 VanDerWaalsContact C-N 3.32Å; F380-S382 PolarHBondContact O-N 3.22Å; F380-C383 PolarHBondContact O-N 2.76Å; F380-C383 VanDerWaalsContact O-N 3.17Å; F380-L384 HydrophobicContact CD1-CD1 4.18Å; F380-L384 WeakPolarHBondContact O-CB 3.43Å; F380-L384 PolarHBondContact O-N 2.93Å |
| 381 | R | 84.6 | Confident | 70.1 | Confident | 101 Ų | 101 | 81.1 Ų | 81.1 | 38% | 0.381 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 173.6 | -75.7 | -177.4 | 172.4 | -167.8 | -8.7 | 111.8 | Y370 K377 N378 C383 C385 L389 | Y370-R381 HydrophobicContact CE2-CG 4.23Å; Y370-R381 PolarHBondContact OH-NE 2.77Å; K377-R381 WeakPolarHBondContact O-CG 3.31Å; K377-R381 PolarHBondContact O-N 3.21Å; N378-R381 PolarHBondContact O-N 2.75Å; R381-C383 VanDerWaalsContact C-N 3.32Å; R381-C383 PolarHBondContact O-N 3.35Å; R381-C385 CarbonylContact O-C 3.58Å; R381-C385 VanDerWaalsContact O-CA 3.28Å; R381-C385 WeakPolarHBondContact O-CA 3.48Å; R381-C385 VanDerWaalsContact O-CB 3.23Å; R381-C385 WeakPolarHBondContact O-CB 3.43Å; R381-C385 PolarHBondContact O-N 3.23Å; R381-L389 HydrophobicContact CB-CD1 4.28Å |
| 382 | S | 80.4 | Confident | 68.4 | Low | 57 Ų | 57 | 82.3 Ų | 82.3 | 40% | 0.399 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.2 | -36.5 | 176.4 | -176.9 | 0 | 0 | 0 | 0 | 112.6 | N378 C379 F380 C386 | N378-S382 WeakPolarHBondContact O-CB 3.19Å; N378-S382 PolarHBondContact O-N 3.09Å; C379-S382 PolarHBondContact O-N 3.3Å; F380-S382 VanDerWaalsContact C-N 3.32Å; F380-S382 PolarHBondContact O-N 3.22Å; S382-C386 PolarHBondContact O-SG 3.32Å |
| 383 | C | 79.5 | Confident | 67.2 | Low | 34 Ų | 34 | 83.7 Ų | 83.7 | 23% | 0.23 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -82.4 | -35.2 | -178.6 | -71.7 | 0 | 0 | 0 | 0 | 114.5 | T104 C379 F380 R381 | T104-C383 HydrophobicContact CG2-CB 3.89Å; C379-C383 WeakPolarHBondContact O-CB 3.45Å; C379-C383 PolarHBondContact O-N 2.91Å; C379-C383 PolarHBondContact O-SG 3.46Å; C379-C383 VanDerWaalsContact O-SG 3.32Å; F380-C383 PolarHBondContact O-N 2.76Å; F380-C383 VanDerWaalsContact O-N 3.17Å; R381-C383 VanDerWaalsContact C-N 3.32Å; R381-C383 PolarHBondContact O-N 3.35Å |
| 384 | L | 80.6 | Confident | 65.7 | Low | 98 Ų | 98 | 87.6 Ų | 87.6 | 51% | 0.513 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -99.2 | -32.1 | -174.2 | -63.5 | 174.3 | 0 | 0 | 0 | 112.7 | I100 T104 F380 | I100-L384 HydrophobicContact CG2-CD2 4.21Å; T104-L384 HydrophobicContact CG2-CD2 4.21Å; T104-L384 HydrophobicContact CG2-CG 4.19Å; F380-L384 HydrophobicContact CD1-CD1 4.18Å; F380-L384 WeakPolarHBondContact O-CB 3.43Å; F380-L384 PolarHBondContact O-N 2.93Å |
| 385 | C | 74.1 | Confident | 64.1 | Low | 57 Ų | 57 | 85 Ų | 85 | 39% | 0.385 | 45% | 0.447 | S | S | . | . | trans | -111.2 | 41.5 | -176.4 | -52 | 0 | 0 | 0 | 0 | 111.3 | R381 W387 C388 | R381-C385 CarbonylContact O-C 3.58Å; R381-C385 VanDerWaalsContact O-CA 3.28Å; R381-C385 WeakPolarHBondContact O-CA 3.48Å; R381-C385 VanDerWaalsContact O-CB 3.23Å; R381-C385 WeakPolarHBondContact O-CB 3.43Å; R381-C385 PolarHBondContact O-N 3.23Å; C385-W387 PolarHBondContact O-N 3.24Å; C385-C388 HydrophobicContact CB-CB 4.43Å; C385-C388 PolarHBondContact O-N 3.39Å | ||
| 386 | C | 59.9 | Low | 62.6 | Low | 92 Ų | 92 | 86.5 Ų | 86.5 | 62% | 0.622 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -13.8 | -178.6 | -65.1 | 0 | 0 | 0 | 0 | 114.5 | S382 | S382-C386 PolarHBondContact O-SG 3.32Š|
| 387 | W | 47.2 | Very low | 61.1 | Low | 260 Ų | 260 | 89.2 Ų | 89.2 | 99% | 0.985 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -2 | 174.7 | -74.3 | -32.3 | 0 | 0 | 0 | 115.3 | C385 | C385-W387 PolarHBondContact O-N 3.24Š|
| 388 | C | 42.2 | Very low | 59.2 | Low | 101 Ų | 101 | 92.5 Ų | 92.5 | 68% | 0.682 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -127.8 | 7.5 | -170.7 | -58.2 | 0 | 0 | 0 | 0 | 116.3 | C385 | C385-C388 HydrophobicContact CB-CB 4.43Å; C385-C388 PolarHBondContact O-N 3.39Å |
| 389 | L | 41.4 | Very low | 57.4 | Low | 59 Ų | 59 | 94.3 Ų | 94.3 | 31% | 0.309 | 50% | 0.495 | S | S | . | . | trans | -121.8 | 127.8 | -177.5 | -108.4 | 81.2 | 0 | 0 | 0 | 114.5 | R381 M393 | R381-L389 HydrophobicContact CB-CD1 4.28Å; L389-M393 HydrophobicContact CD2-CE 3.97Å; L389-M393 HydrophobicContact CD2-CG 4.47Å; L389-M393 HydrophobicContact CD2-SD 3.53Å; L389-M393 VanDerWaalsContact CD2-SD 3.53Å; L389-M393 HydrophobicContact CG-CE 4.25Å; L389-M393 HydrophobicContact CG-SD 4.41Å | ||
| 390 | P | 42.5 | Very low | 55.9 | Low | 89 Ų | 89 | 97.1 Ų | 97.1 | 58% | 0.578 | 51% | 0.514 | S | S | * | . | trans | -71.5 | 157.2 | 175 | -13.5 | 28.1 | 0 | 0 | 0 | 113.8 | E392 | P390-E392 PolarHBondContact O-N 3.36Å; P390-E392 VanDerWaalsContact O-N 3.08Å | ||
| 391 | A | 42 | Very low | 54.1 | Low | 88 Ų | 88 | 97.9 Ų | 97.9 | 73% | 0.727 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -13.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 392 | E | 44.8 | Very low | 52.1 | Low | 161 Ų | 161 | 99.1 Ų | 99.1 | 75% | 0.752 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.9 | -30.4 | -176.2 | -78.2 | 168.3 | 137.8 | 0 | 0 | 114.3 | P390 L394 M395 D396 | P390-E392 PolarHBondContact O-N 3.36Å; P390-E392 VanDerWaalsContact O-N 3.08Å; E392-L394 VanDerWaalsContact C-N 3.29Å; E392-L394 PolarHBondContact O-N 2.8Å; E392-M395 PolarHBondContact O-N 3.29Å; E392-D396 PolarHBondContact O-N 3.5Å |
| 393 | M | 46.3 | Very low | 50.3 | Low | 97 Ų | 97 | 103.5 Ų | 103.5 | 48% | 0.478 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.6 | -23.4 | 179.2 | -73 | -162.6 | -151.6 | 0 | 0 | 113.8 | L389 M395 E397 | L389-M393 HydrophobicContact CD2-CE 3.97Å; L389-M393 HydrophobicContact CD2-CG 4.47Å; L389-M393 HydrophobicContact CD2-SD 3.53Å; L389-M393 VanDerWaalsContact CD2-SD 3.53Å; L389-M393 HydrophobicContact CG-CE 4.25Å; L389-M393 HydrophobicContact CG-SD 4.41Å; M393-M395 VanDerWaalsContact C-N 3.3Å; M393-E397 PolarHBondContact O-N 3.4Å |
| 394 | L | 45.1 | Very low | 48.6 | Very low | 117 Ų | 117 | 105.9 Ų | 105.9 | 61% | 0.613 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -74.3 | -25.8 | 177.9 | -154.2 | 114.4 | 0 | 0 | 0 | 111.7 | E392 K398 | E392-L394 VanDerWaalsContact C-N 3.29Å; E392-L394 PolarHBondContact O-N 2.8Å; L394-K398 PolarHBondContact O-N 3.07Å |
| 395 | M | 40.7 | Very low | 46.8 | Very low | 120 Ų | 120 | 107.1 Ų | 107.1 | 59% | 0.591 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -76.7 | -40.6 | 175.3 | -69 | -74.5 | -88.1 | 0 | 0 | 110.9 | E392 M393 E397 K398 Q399 | E392-M395 PolarHBondContact O-N 3.29Å; M393-M395 VanDerWaalsContact C-N 3.3Å; M395-E397 PolarHBondContact O-N 3.15Å; M395-K398 WeakPolarHBondContact O-CB 2.91Å; M395-K398 PolarHBondContact O-N 3.21Å; M395-Q399 WeakPolarHBondContact O-CB 3.46Å; M395-Q399 PolarHBondContact O-N 2.03Å |
| 396 | D | 46.6 | Very low | 45.3 | Very low | 118 Ų | 118 | 108.7 Ų | 108.7 | 63% | 0.631 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69 | -33.5 | -179.9 | -157.2 | 29.5 | 0 | 0 | 0 | 112.8 | E392 Q399 S400 | E392-D396 PolarHBondContact O-N 3.5Å; D396-Q399 PolarHBondContact O-N 3.18Å; D396-S400 VanDerWaalsContact O-CB 3.31Å; D396-S400 WeakPolarHBondContact O-CB 3.47Å; D396-S400 PolarHBondContact O-N 3.49Å |
| 397 | E | 50.4 | Low | 44.3 | Very low | 65 Ų | 65 | 108.9 Ų | 108.9 | 30% | 0.304 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -71.1 | -35.5 | 173.1 | -146.9 | -163.3 | 158.8 | 0 | 0 | 112.4 | R375 M393 M395 Q399 C401 | R375-E397 IonicContact CZ-OE1 2.67Å; R375-E397 IonicContact NE-OE1 2.65Å; R375-E397 PolarHBondContact NE-OE1 2.96Å; R375-E397 IonicContact NH2-OE1 3.47Å; R375-E397 PolarHBondContact NH2-OE1 2.91Å; M393-E397 PolarHBondContact O-N 3.4Å; M395-E397 PolarHBondContact O-N 3.15Å; E397-Q399 VanDerWaalsContact C-N 3.35Å; E397-C401 VanDerWaalsContact O-CB 3.28Å; E397-C401 WeakPolarHBondContact O-CB 3.23Å; E397-C401 PolarHBondContact O-N 3.26Å |
| 398 | K | 44.6 | Very low | 44.3 | Very low | 137 Ų | 137 | 98.7 Ų | 98.7 | 60% | 0.596 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.7 | -41.4 | 170.5 | -94.4 | -175.4 | 176.2 | -178.9 | 0 | 111.1 | L394 M395 C401 M402 | L394-K398 PolarHBondContact O-N 3.07Å; M395-K398 WeakPolarHBondContact O-CB 2.91Å; M395-K398 PolarHBondContact O-N 3.21Å; K398-C401 PolarHBondContact O-N 3.49Å; K398-M402 WeakPolarHBondContact O-CB 3.37Å; K398-M402 WeakPolarHBondContact O-CG 3.11Å; K398-M402 PolarHBondContact O-N 3.2Å |
| 399 | Q | 45.3 | Very low | 44.1 | Very low | 116 Ų | 116 | 102.4 Ų | 102.4 | 54% | 0.542 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72 | -37.2 | -178.9 | -151.1 | 133 | -2.9 | 0 | 0 | 112.1 | M395 D396 E397 M402 K403 | M395-Q399 WeakPolarHBondContact O-CB 3.46Å; M395-Q399 PolarHBondContact O-N 2.03Å; D396-Q399 PolarHBondContact O-N 3.18Å; E397-Q399 VanDerWaalsContact C-N 3.35Å; Q399-M402 PolarHBondContact O-N 3.04Å; Q399-K403 WeakPolarHBondContact O-CB 2.99Å; Q399-K403 WeakPolarHBondContact O-CG 3.43Å; Q399-K403 PolarHBondContact O-N 3.43Å |
| 400 | S | 50.7 | Low | 44 | Very low | 64 Ų | 64 | 102.5 Ų | 102.5 | 45% | 0.448 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 171.8 | -171.2 | 0 | 0 | 0 | 0 | 112 | D396 K403 L404 | D396-S400 VanDerWaalsContact O-CB 3.31Å; D396-S400 WeakPolarHBondContact O-CB 3.47Å; D396-S400 PolarHBondContact O-N 3.49Å; S400-K403 PolarHBondContact O-N 3.43Å; S400-L404 PolarHBondContact O-N 3.44Å |
| 401 | C | 47.7 | Very low | 43.7 | Very low | 24 Ų | 24 | 101.5 Ų | 101.5 | 16% | 0.162 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -69.8 | -33.6 | 175.5 | -166.4 | 0 | 0 | 0 | 0 | 112.3 | C114 E397 K398 K405 | C114-C401 HydrophobicContact CB-CB 3.96Å; C114-C401 WeakPolarHBondContact CB-SG 3.44Å; C114-C401 WeakPolarHBondContact SG-CB 3.26Å; C114-C401 CovalentContact SG-SG 2.04Å; C114-C401 PolarHBondContact SG-SG 3.49Å; E397-C401 VanDerWaalsContact O-CB 3.28Å; E397-C401 WeakPolarHBondContact O-CB 3.23Å; E397-C401 PolarHBondContact O-N 3.26Å; K398-C401 PolarHBondContact O-N 3.49Å; C401-K405 PolarHBondContact O-N 3.49Å |
| 402 | M | 42.6 | Very low | 43.6 | Very low | 127 Ų | 127 | 103.9 Ų | 103.9 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.6 | -43.9 | 169.8 | -85.2 | -176 | 66.1 | 0 | 0 | 112.2 | K398 Q399 L404 K405 V406 | K398-M402 WeakPolarHBondContact O-CB 3.37Å; K398-M402 WeakPolarHBondContact O-CG 3.11Å; K398-M402 PolarHBondContact O-N 3.2Å; Q399-M402 PolarHBondContact O-N 3.04Å; M402-L404 VanDerWaalsContact C-N 3.35Å; M402-L404 PolarHBondContact O-N 3.45Å; M402-K405 CarbonylContact O-C 3.46Å; M402-K405 WeakPolarHBondContact O-CA 3.45Å; M402-K405 WeakPolarHBondContact O-CB 3.47Å; M402-K405 PolarHBondContact O-N 3.11Å; M402-V406 VanDerWaalsContact O-CG2 3.27Å; M402-V406 WeakPolarHBondContact O-CG2 3.38Å; M402-V406 PolarHBondContact O-N 2.92Å |
| 403 | K | 41.3 | Very low | 43.5 | Very low | 150 Ų | 150 | 101.9 Ų | 101.9 | 65% | 0.652 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.2 | -43.6 | 176.3 | -87.6 | -177.5 | 176.1 | 176.3 | 0 | 111.8 | Q399 S400 K405 V406 T407 | Q399-K403 WeakPolarHBondContact O-CB 2.99Å; Q399-K403 WeakPolarHBondContact O-CG 3.43Å; Q399-K403 PolarHBondContact O-N 3.43Å; S400-K403 PolarHBondContact O-N 3.43Å; K403-K405 VanDerWaalsContact C-N 3.28Å; K403-K405 PolarHBondContact O-N 2.97Å; K403-V406 PolarHBondContact O-N 3.24Å; K403-T407 PolarHBondContact O-N 2.9Å; K403-T407 PolarHBondContact O-OG1 3.31Å |
| 404 | L | 43.9 | Very low | 43.2 | Very low | 84 Ų | 84 | 100.4 Ų | 100.4 | 44% | 0.44 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -56.3 | -43.2 | 172.6 | -109.1 | 117.5 | 0 | 0 | 0 | 112 | S400 M402 E408 | S400-L404 PolarHBondContact O-N 3.44Å; M402-L404 VanDerWaalsContact C-N 3.35Å; M402-L404 PolarHBondContact O-N 3.45Å; L404-E408 WeakPolarHBondContact O-CG 3.33Å; L404-E408 PolarHBondContact O-N 3.31Å |
| 405 | K | 43.9 | Very low | 42.8 | Very low | 123 Ų | 123 | 100.8 Ų | 100.8 | 54% | 0.535 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.1 | -30.8 | 179.7 | -141.2 | 175.4 | -172.5 | -175.1 | 0 | 113.5 | C401 M402 K403 R409 | C401-K405 PolarHBondContact O-N 3.49Å; M402-K405 CarbonylContact O-C 3.46Å; M402-K405 WeakPolarHBondContact O-CA 3.45Å; M402-K405 WeakPolarHBondContact O-CB 3.47Å; M402-K405 PolarHBondContact O-N 3.11Å; K403-K405 VanDerWaalsContact C-N 3.28Å; K403-K405 PolarHBondContact O-N 2.97Å; K405-R409 PolarHBondContact O-N 3.1Å |
| 406 | V | 41.9 | Very low | 42.9 | Very low | 91 Ų | 91 | 97.7 Ų | 97.7 | 55% | 0.552 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -76.4 | -40.3 | 176.3 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | M402 K403 E408 R409 S410 | M402-V406 VanDerWaalsContact O-CG2 3.27Å; M402-V406 WeakPolarHBondContact O-CG2 3.38Å; M402-V406 PolarHBondContact O-N 2.92Å; K403-V406 PolarHBondContact O-N 3.24Å; V406-E408 VanDerWaalsContact C-N 3.33Å; V406-R409 PolarHBondContact O-N 3.06Å; V406-S410 PolarHBondContact O-N 3.43Å; V406-S410 PolarHBondContact O-OG 2.97Å |
| 407 | T | 39.9 | Very low | 42.8 | Very low | 96 Ų | 96 | 100.7 Ų | 100.7 | 59% | 0.589 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.7 | -33.3 | 174.4 | -51.9 | 0 | 0 | 0 | 0 | 112.1 | K403 S410 S411 | K403-T407 PolarHBondContact O-N 2.9Å; K403-T407 PolarHBondContact O-OG1 3.31Å; T407-S410 WeakPolarHBondContact CA-OG 3.49Å; T407-S410 PolarHBondContact O-OG 3.45Å; T407-S411 WeakPolarHBondContact O-CB 3.32Å; T407-S411 PolarHBondContact O-N 3.32Å; T407-S411 VanDerWaalsContact O-N 3.14Å |
| 408 | E | 45.8 | Very low | 42.5 | Very low | 45 Ų | 45 | 102.9 Ų | 102.9 | 21% | 0.21 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -62.2 | -49.8 | 172.2 | -83 | 175 | 145.8 | 0 | 0 | 112.1 | G194 I195 L404 V406 S410 S411 E412 | G194-E408 VanDerWaalsContact CA-OE1 3.28Å; G194-E408 WeakPolarHBondContact CA-OE1 3.28Å; I195-E408 WeakPolarHBondContact CD1-OE2 3.28Å; I195-E408 PolarHBondContact N-OE1 3.03Å; L404-E408 WeakPolarHBondContact O-CG 3.33Å; L404-E408 PolarHBondContact O-N 3.31Å; V406-E408 VanDerWaalsContact C-N 3.33Å; E408-S410 VanDerWaalsContact C-N 3.31Å; E408-S410 PolarHBondContact O-N 3.12Å; E408-S411 PolarHBondContact O-N 2.88Å; E408-E412 PolarHBondContact O-N 2.85Å |
| 409 | R | 39.5 | Very low | 42.4 | Very low | 180 Ų | 180 | 100.3 Ų | 100.3 | 68% | 0.679 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.4 | -36.5 | -179.6 | -79.1 | -176.9 | 177.3 | -175 | -2.9 | 113.4 | K405 V406 Q413 | K405-R409 PolarHBondContact O-N 3.1Å; V406-R409 PolarHBondContact O-N 3.06Å; R409-Q413 WeakPolarHBondContact O-CB 3.16Å; R409-Q413 PolarHBondContact O-N 3.32Å; R409-Q413 VanDerWaalsContact O-N 3.16Å |
| 410 | S | 38.2 | Very low | 42.2 | Very low | 60 Ų | 60 | 100.4 Ų | 100.4 | 42% | 0.42 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73.1 | -31.8 | 177.9 | 31.8 | 0 | 0 | 0 | 0 | 112 | V406 T407 E408 S414 | V406-S410 PolarHBondContact O-N 3.43Å; V406-S410 PolarHBondContact O-OG 2.97Å; T407-S410 WeakPolarHBondContact CA-OG 3.49Å; T407-S410 PolarHBondContact O-OG 3.45Å; E408-S410 VanDerWaalsContact C-N 3.31Å; E408-S410 PolarHBondContact O-N 3.12Å; S410-S414 WeakPolarHBondContact O-CB 3.31Å; S410-S414 PolarHBondContact O-N 3.19Å; S410-S414 VanDerWaalsContact O-N 3.15Å; S410-S414 PolarHBondContact O-OG 3.43Å |
| 411 | S | 37.3 | Very low | 41.9 | Very low | 68 Ų | 68 | 105.7 Ų | 105.7 | 48% | 0.476 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.9 | -38.3 | 173.2 | -170.6 | 0 | 0 | 0 | 0 | 113 | T407 E408 S414 H415 | T407-S411 WeakPolarHBondContact O-CB 3.32Å; T407-S411 PolarHBondContact O-N 3.32Å; T407-S411 VanDerWaalsContact O-N 3.14Å; E408-S411 PolarHBondContact O-N 2.88Å; S411-S414 PolarHBondContact O-N 2.85Å; S411-H415 PolarHBondContact O-N 3.27Å; S411-H415 VanDerWaalsContact O-N 3.14Å |
| 412 | E | 39.7 | Very low | 41.6 | Very low | 139 Ų | 139 | 109 Ų | 109 | 65% | 0.65 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.6 | -40.6 | 175.7 | -74.3 | -179.8 | 152.6 | 0 | 0 | 111.8 | E408 S414 H415 S416 | E408-E412 PolarHBondContact O-N 2.85Å; E412-S414 VanDerWaalsContact C-N 3.3Å; E412-S414 PolarHBondContact O-N 2.74Å; E412-H415 PolarHBondContact O-N 3.21Å; E412-S416 PolarHBondContact O-N 3.14Å |
| 413 | Q | 42.8 | Very low | 41.7 | Very low | 118 Ų | 118 | 107.8 Ų | 107.8 | 55% | 0.551 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -73 | -22.9 | 179.2 | -155.8 | 165.7 | 17 | 0 | 0 | 113.2 | R409 S416 R417 | R409-Q413 WeakPolarHBondContact O-CB 3.16Å; R409-Q413 PolarHBondContact O-N 3.32Å; R409-Q413 VanDerWaalsContact O-N 3.16Å; Q413-S416 PolarHBondContact O-OG 3.32Å; Q413-R417 WeakPolarHBondContact O-CG 3.45Å |
| 414 | S | 38.5 | Very low | 41.8 | Very low | 67 Ų | 67 | 105.7 Ų | 105.7 | 47% | 0.469 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -76.6 | -41.9 | 172.6 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | S410 S411 E412 R417 I418 | S410-S414 WeakPolarHBondContact O-CB 3.31Å; S410-S414 PolarHBondContact O-N 3.19Å; S410-S414 VanDerWaalsContact O-N 3.15Å; S410-S414 PolarHBondContact O-OG 3.43Å; S411-S414 PolarHBondContact O-N 2.85Å; E412-S414 VanDerWaalsContact C-N 3.3Å; E412-S414 PolarHBondContact O-N 2.74Å; S414-R417 PolarHBondContact O-N 2.87Å; S414-I418 WeakPolarHBondContact O-CG1 3.43Å; S414-I418 PolarHBondContact O-N 2.66Å |
| 415 | H | 37.7 | Very low | 41.6 | Very low | 124 Ų | 124 | 109.3 Ų | 109.3 | 57% | 0.574 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.2 | -36.9 | 176.8 | -99.5 | -78.6 | 0 | 0 | 0 | 112.7 | S411 E412 R417 I418 T419 | S411-H415 PolarHBondContact O-N 3.27Å; S411-H415 VanDerWaalsContact O-N 3.14Å; E412-H415 PolarHBondContact O-N 3.21Å; H415-R417 VanDerWaalsContact C-N 3.33Å; H415-R417 PolarHBondContact O-N 3Å; H415-I418 PolarHBondContact O-N 2.7Å; H415-T419 PolarHBondContact O-N 2.64Å; H415-T419 VanDerWaalsContact O-N 3.07Å; H415-T419 PolarHBondContact O-OG1 3.24Å |
| 416 | S | 42.5 | Very low | 41.5 | Very low | 55 Ų | 55 | 108.7 Ų | 108.7 | 39% | 0.385 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.6 | -30.5 | 176.4 | 70 | 0 | 0 | 0 | 0 | 113.3 | E412 Q413 T419 N420 | E412-S416 PolarHBondContact O-N 3.14Å; Q413-S416 PolarHBondContact O-OG 3.32Å; S416-T419 WeakPolarHBondContact CA-OG1 3.46Å; S416-T419 PolarHBondContact O-OG1 2.85Å; S416-T419 VanDerWaalsContact O-OG1 3.11Å; S416-N420 PolarHBondContact O-N 3.07Å |
| 417 | R | 43.8 | Very low | 41.4 | Very low | 181 Ų | 181 | 109.6 Ų | 109.6 | 68% | 0.683 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -72.1 | -31 | 173 | -77.8 | -176.5 | -165.8 | -173.4 | 4.2 | 112.8 | Q413 S414 H415 K421 | Q413-R417 WeakPolarHBondContact O-CG 3.45Å; S414-R417 PolarHBondContact O-N 2.87Å; H415-R417 VanDerWaalsContact C-N 3.33Å; H415-R417 PolarHBondContact O-N 3Å; R417-K421 PolarHBondContact O-N 2.9Å |
| 418 | I | 44.6 | Very low | 41.5 | Very low | 112 Ų | 112 | 110.3 Ų | 110.3 | 57% | 0.574 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -75.7 | -40.8 | 178.5 | -65.8 | 167.3 | 0 | 0 | 0 | 110.4 | S414 H415 N420 K421 S422 | S414-I418 WeakPolarHBondContact O-CG1 3.43Å; S414-I418 PolarHBondContact O-N 2.66Å; H415-I418 PolarHBondContact O-N 2.7Å; I418-N420 VanDerWaalsContact C-N 3.35Å; I418-N420 PolarHBondContact O-N 2.9Å; I418-K421 PolarHBondContact O-N 3.45Å; I418-S422 PolarHBondContact O-N 2.95Å; I418-S422 PolarHBondContact O-OG 2.85Å |
| 419 | T | 42.8 | Very low | 41.3 | Very low | 82 Ų | 82 | 114.2 Ų | 114.2 | 50% | 0.503 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -67.9 | -31 | 175.7 | 47.7 | 0 | 0 | 0 | 0 | 113.4 | H415 S416 S422 | H415-T419 PolarHBondContact O-N 2.64Å; H415-T419 VanDerWaalsContact O-N 3.07Å; H415-T419 PolarHBondContact O-OG1 3.24Å; S416-T419 WeakPolarHBondContact CA-OG1 3.46Å; S416-T419 PolarHBondContact O-OG1 2.85Å; S416-T419 VanDerWaalsContact O-OG1 3.11Å; T419-S422 PolarHBondContact O-OG 2.83Å |
| 420 | N | 41.6 | Very low | 41.4 | Very low | 119 Ų | 119 | 110.1 Ų | 110.1 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75.8 | -25 | 174.4 | -77.9 | 6 | 0 | 0 | 0 | 112.9 | S416 I418 S424 | S416-N420 PolarHBondContact O-N 3.07Å; I418-N420 VanDerWaalsContact C-N 3.35Å; I418-N420 PolarHBondContact O-N 2.9Å; N420-S424 PolarHBondContact O-OG 3.19Å |
| 421 | K | 44 | Very low | 41.6 | Very low | 174 Ų | 174 | 113.4 Ų | 113.4 | 76% | 0.757 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -77.3 | -25.3 | 175.5 | -106.3 | -176.4 | 174.2 | -174.3 | 0 | 113.5 | R417 I418 S423 | R417-K421 PolarHBondContact O-N 2.9Å; I418-K421 PolarHBondContact O-N 3.45Å; K421-S423 VanDerWaalsContact C-N 3.33Å |
| 422 | S | 41.8 | Very low | 41.9 | Very low | 94 Ų | 94 | 116.6 Ų | 116.6 | 66% | 0.657 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -2.6 | 176.8 | 51.1 | 0 | 0 | 0 | 0 | 114.5 | I418 T419 | I418-S422 PolarHBondContact O-N 2.95Å; I418-S422 PolarHBondContact O-OG 2.85Å; T419-S422 PolarHBondContact O-OG 2.83Å |
| 423 | S | 43.4 | Very low | 42.1 | Very low | 102 Ų | 102 | 114.9 Ų | 114.9 | 71% | 0.713 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | 9.4 | 178.6 | -164.7 | 0 | 0 | 0 | 0 | 112.9 | K421 | K421-S423 VanDerWaalsContact C-N 3.33Š|
| 424 | S | 45 | Very low | 42 | Very low | 105 Ų | 105 | 114.7 Ų | 114.7 | 73% | 0.734 | 67% | 0.668 | S | S | * | * | trans | -132.3 | 20.6 | -174.8 | -43.7 | 0 | 0 | 0 | 0 | 113.5 | N420 | N420-S424 PolarHBondContact O-OG 3.19Š| ||
| 425 | A | 38.7 | Very low | 42.4 | Very low | 161 Ų | 161 | 119 Ų | 119 | 100% | 1.331 | 69% | 0.686 | S | S | * | * | trans | -123.8 | 0 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 425 of 425 residues in 233.4 ms
(Link to these results)