| 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 | 33.5 | Very low | 48.8 | Very low | 128 Ų | 128 | 91.2 Ų | 91.2 | 63% | 0.631 | 46% | 0.462 | S | S | * | . | 0 | -46 | 0 | -96.2 | -175.7 | -147.4 | 0 | 0 | 116.6 | D3 V4 A5 T427 | M1-D3 VanDerWaalsContact C-N 3.28Å; M1-D3 PolarHBondContact O-N 3.39Å; M1-V4 PolarHBondContact O-N 2.96Å; M1-A5 PolarHBondContact O-N 2.94Å; M1-T427 HydrophobicContact CE-CG2 4.39Å | |||
| 2 | T | 38 | Very low | 49.7 | Very low | 77 Ų | 77 | 91.8 Ų | 91.8 | 47% | 0.472 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -54 | -42.7 | -179.2 | 40 | 0 | 0 | 0 | 0 | 112.6 | V4 A5 L6 | T2-V4 PolarHBondContact O-N 3.09Å; T2-A5 PolarHBondContact O-N 2.92Å; T2-L6 VanDerWaalsContact O-CB 3.25Å; T2-L6 WeakPolarHBondContact O-CB 3.36Å; T2-L6 PolarHBondContact O-N 3.03Å |
| 3 | D | 40.4 | Very low | 50.6 | Low | 109 Ų | 109 | 89.7 Ų | 89.7 | 58% | 0.583 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.8 | -35.2 | 175.9 | -86.6 | -31 | 0 | 0 | 0 | 114.2 | M1 L6 R7 | M1-D3 VanDerWaalsContact C-N 3.28Å; M1-D3 PolarHBondContact O-N 3.39Å; D3-L6 VanDerWaalsContact O-CB 3.29Å; D3-L6 WeakPolarHBondContact O-CB 3.29Å; D3-L6 PolarHBondContact O-N 3.34Å; D3-R7 WeakPolarHBondContact O-CG 3.4Å; D3-R7 PolarHBondContact O-N 2.91Å |
| 4 | V | 46.6 | Very low | 51.2 | Low | 103 Ų | 103 | 90.5 Ų | 90.5 | 62% | 0.624 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -73.4 | -44.7 | 178.9 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | M1 T2 L6 R7 S8 | M1-V4 PolarHBondContact O-N 2.96Å; T2-V4 PolarHBondContact O-N 3.09Å; V4-L6 VanDerWaalsContact C-N 3.26Å; V4-L6 PolarHBondContact O-N 3.48Å; V4-R7 PolarHBondContact O-N 2.96Å; V4-S8 PolarHBondContact O-N 2.75Å |
| 5 | A | 45.2 | Very low | 51.7 | Low | 40 Ų | 40 | 93.2 Ų | 93.2 | 33% | 0.331 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.6 | -37.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | M1 T2 S8 Y9 | M1-A5 PolarHBondContact O-N 2.94Å; T2-A5 PolarHBondContact O-N 2.92Å; A5-S8 PolarHBondContact O-N 3Å; A5-Y9 VanDerWaalsContact O-CB 3.28Å; A5-Y9 WeakPolarHBondContact O-CB 3.35Å; A5-Y9 PolarHBondContact O-N 3.26Å |
| 6 | L | 50.9 | Low | 51.8 | Low | 29 Ų | 29 | 89.4 Ų | 89.4 | 15% | 0.152 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 174.8 | -137.6 | 81.6 | 0 | 0 | 0 | 112.2 | T2 D3 V4 K10 R102 I106 | T2-L6 VanDerWaalsContact O-CB 3.25Å; T2-L6 WeakPolarHBondContact O-CB 3.36Å; T2-L6 PolarHBondContact O-N 3.03Å; D3-L6 VanDerWaalsContact O-CB 3.29Å; D3-L6 WeakPolarHBondContact O-CB 3.29Å; D3-L6 PolarHBondContact O-N 3.34Å; V4-L6 VanDerWaalsContact C-N 3.26Å; V4-L6 PolarHBondContact O-N 3.48Å; L6-K10 WeakPolarHBondContact O-CB 3.48Å; L6-K10 WeakPolarHBondContact O-CG 3.24Å; L6-K10 PolarHBondContact O-N 3.38Å; L6-R102 VanDerWaalsContact CD2-NH2 3.3Å; L6-I106 HydrophobicContact CD1-CD1 4.32Å |
| 7 | R | 53.2 | Low | 51.9 | Low | 180 Ų | 180 | 87.3 Ų | 87.3 | 68% | 0.679 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -67 | -42.5 | 178.4 | -74.4 | 177.2 | -169.6 | -167.5 | 4 | 110.7 | D3 V4 K10 Q11 | D3-R7 WeakPolarHBondContact O-CG 3.4Å; D3-R7 PolarHBondContact O-N 2.91Å; V4-R7 PolarHBondContact O-N 2.96Å; R7-K10 PolarHBondContact O-N 2.92Å; R7-Q11 WeakPolarHBondContact O-CB 3.3Å; R7-Q11 WeakPolarHBondContact O-CG 3.48Å; R7-Q11 PolarHBondContact O-N 3.38Å |
| 8 | S | 54.4 | Low | 51.8 | Low | 41 Ų | 41 | 92.8 Ų | 92.8 | 29% | 0.287 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.9 | -45 | 175.4 | -169 | 0 | 0 | 0 | 0 | 111.7 | V4 A5 Q11 R12 | V4-S8 PolarHBondContact O-N 2.75Å; A5-S8 PolarHBondContact O-N 3Å; S8-Q11 PolarHBondContact O-N 3.06Å; S8-R12 WeakPolarHBondContact O-CG 3.28Å; S8-R12 PolarHBondContact O-N 2.63Å |
| 9 | Y | 53.7 | Low | 51.8 | Low | 32 Ų | 32 | 93.6 Ų | 93.6 | 13% | 0.125 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -61 | -47.4 | 174.9 | 178.2 | -98.6 | 0 | 0 | 0 | 112.2 | A5 Q11 R12 I13 R102 E105 | A5-Y9 VanDerWaalsContact O-CB 3.28Å; A5-Y9 WeakPolarHBondContact O-CB 3.35Å; A5-Y9 PolarHBondContact O-N 3.26Å; Y9-Q11 VanDerWaalsContact C-N 3.3Å; Y9-Q11 PolarHBondContact O-N 3.29Å; Y9-R12 PolarHBondContact O-N 3.48Å; Y9-I13 HydrophobicContact CD1-CD1 4.13Å; Y9-I13 HydrophobicContact CD1-CG1 4.44Å; Y9-I13 HydrophobicContact CE1-CD1 3.32Å; Y9-I13 HydrophobicContact CE1-CG1 4.07Å; Y9-I13 HydrophobicContact CE2-CD1 3.89Å; Y9-I13 HydrophobicContact CE2-CG1 4.2Å; Y9-I13 PolarHBondContact O-N 3.32Å; Y9-I13 VanDerWaalsContact OH-CD1 3.24Å; Y9-I13 WeakPolarHBondContact OH-CD1 3.49Å; Y9-R102 HydrophobicContact CD1-CG 3.98Å; Y9-R102 HydrophobicContact CE1-CB 4.05Å; Y9-R102 HydrophobicContact CE1-CG 3.51Å; Y9-R102 HydrophobicContact CE2-CB 4.44Å; Y9-R102 HydrophobicContact CE2-CG 4.3Å; Y9-R102 WeakPolarHBondContact OH-CB 3.32Å; Y9-E105 WeakPolarHBondContact CD2-OE2 3.44Å; Y9-E105 WeakPolarHBondContact CE2-OE2 3.43Å |
| 10 | K | 57.9 | Low | 51.6 | Low | 122 Ų | 122 | 92.2 Ų | 92.2 | 53% | 0.53 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.2 | -39.6 | 175.7 | -78.2 | -176.7 | 177.3 | -176.4 | 0 | 111.9 | L6 R7 N14 | L6-K10 WeakPolarHBondContact O-CB 3.48Å; L6-K10 WeakPolarHBondContact O-CG 3.24Å; L6-K10 PolarHBondContact O-N 3.38Å; R7-K10 PolarHBondContact O-N 2.92Å; K10-N14 WeakPolarHBondContact O-CB 3.48Å; K10-N14 PolarHBondContact O-N 3.13Å; K10-N14 VanDerWaalsContact O-N 3.07Å; K10-N14 PolarHBondContact O-ND2 2.92Å |
| 11 | Q | 63.5 | Low | 51.3 | Low | 142 Ų | 142 | 96.6 Ų | 96.6 | 66% | 0.664 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.5 | -42.5 | 175.2 | -78.2 | 177.5 | -23.9 | 0 | 0 | 112.1 | R7 S8 Y9 N14 K15 | R7-Q11 WeakPolarHBondContact O-CB 3.3Å; R7-Q11 WeakPolarHBondContact O-CG 3.48Å; R7-Q11 PolarHBondContact O-N 3.38Å; S8-Q11 PolarHBondContact O-N 3.06Å; Y9-Q11 VanDerWaalsContact C-N 3.3Å; Y9-Q11 PolarHBondContact O-N 3.29Å; Q11-N14 PolarHBondContact O-N 3.03Å; Q11-K15 WeakPolarHBondContact O-CB 3.46Å; Q11-K15 PolarHBondContact O-N 3.26Å |
| 12 | R | 59.2 | Low | 51.7 | Low | 98 Ų | 98 | 100.4 Ų | 100.4 | 37% | 0.37 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.6 | -45.4 | 177.6 | -71.5 | 174.2 | -170.5 | -167 | -0.6 | 112.5 | S8 Y9 N14 K15 A16 E105 E162 | S8-R12 WeakPolarHBondContact O-CG 3.28Å; S8-R12 PolarHBondContact O-N 2.63Å; Y9-R12 PolarHBondContact O-N 3.48Å; R12-N14 VanDerWaalsContact C-N 3.33Å; R12-N14 PolarHBondContact O-N 3.13Å; R12-K15 CarbonylContact O-C 3.55Å; R12-K15 WeakPolarHBondContact O-CA 3.09Å; R12-K15 WeakPolarHBondContact O-CB 3.32Å; R12-K15 PolarHBondContact O-N 3.03Å; R12-K15 VanDerWaalsContact O-N 3.08Å; R12-A16 WeakPolarHBondContact O-CB 3.48Å; R12-A16 PolarHBondContact O-N 2.66Å; R12-E105 IonicContact NH1-OE1 2.97Å; R12-E162 VanDerWaalsContact CD-OE1 3.24Å; R12-E162 WeakPolarHBondContact CD-OE1 3.49Å; R12-E162 WeakPolarHBondContact CG-OE1 3.39Å; R12-E162 IonicContact NE-OE1 2.61Å |
| 13 | I | 61.7 | Low | 52.1 | Low | 65 Ų | 65 | 99.8 Ų | 99.8 | 33% | 0.333 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 174.6 | -74.9 | -161 | 0 | 0 | 0 | 111.5 | Y9 K15 A16 S17 | Y9-I13 HydrophobicContact CD1-CD1 4.13Å; Y9-I13 HydrophobicContact CD1-CG1 4.44Å; Y9-I13 HydrophobicContact CE1-CD1 3.32Å; Y9-I13 HydrophobicContact CE1-CG1 4.07Å; Y9-I13 HydrophobicContact CE2-CD1 3.89Å; Y9-I13 HydrophobicContact CE2-CG1 4.2Å; Y9-I13 PolarHBondContact O-N 3.32Å; Y9-I13 VanDerWaalsContact OH-CD1 3.24Å; Y9-I13 WeakPolarHBondContact OH-CD1 3.49Å; I13-K15 PolarHBondContact O-N 3.23Å; I13-A16 PolarHBondContact O-N 2.81Å; I13-S17 WeakPolarHBondContact O-CB 3.25Å; I13-S17 PolarHBondContact O-N 3.07Å |
| 14 | N | 58.2 | Low | 52.1 | Low | 101 Ų | 101 | 100.4 Ų | 100.4 | 54% | 0.54 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.9 | -30.6 | 177.3 | -75.2 | -18.3 | 0 | 0 | 0 | 112.1 | K10 Q11 R12 R18 | K10-N14 WeakPolarHBondContact O-CB 3.48Å; K10-N14 PolarHBondContact O-N 3.13Å; K10-N14 VanDerWaalsContact O-N 3.07Å; K10-N14 PolarHBondContact O-ND2 2.92Å; Q11-N14 PolarHBondContact O-N 3.03Å; R12-N14 VanDerWaalsContact C-N 3.33Å; R12-N14 PolarHBondContact O-N 3.13Å; N14-R18 WeakPolarHBondContact O-CD 3.25Å; N14-R18 VanDerWaalsContact O-CG 3.25Å; N14-R18 WeakPolarHBondContact O-CG 3.31Å; N14-R18 PolarHBondContact O-N 2.97Å |
| 15 | K | 59.6 | Low | 51.9 | Low | 131 Ų | 131 | 101.4 Ų | 101.4 | 57% | 0.57 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -74.3 | -48.7 | 174.3 | -168.5 | -177.2 | 175.5 | -166.7 | 0 | 111.6 | Q11 R12 I13 R18 E19 | Q11-K15 WeakPolarHBondContact O-CB 3.46Å; Q11-K15 PolarHBondContact O-N 3.26Å; R12-K15 CarbonylContact O-C 3.55Å; R12-K15 WeakPolarHBondContact O-CA 3.09Å; R12-K15 WeakPolarHBondContact O-CB 3.32Å; R12-K15 PolarHBondContact O-N 3.03Å; R12-K15 VanDerWaalsContact O-N 3.08Å; I13-K15 PolarHBondContact O-N 3.23Å; K15-R18 WeakPolarHBondContact O-CB 3.43Å; K15-R18 PolarHBondContact O-N 3.03Å; K15-R18 VanDerWaalsContact O-N 3.12Å; K15-E19 VanDerWaalsContact CE-OE1 3.25Å; K15-E19 WeakPolarHBondContact CE-OE1 3.31Å; K15-E19 PolarHBondContact O-N 2.78Å |
| 16 | A | 53.1 | Low | 51.5 | Low | 33 Ų | 33 | 103.5 Ų | 103.5 | 27% | 0.273 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R12 I13 R18 E19 T20 | R12-A16 WeakPolarHBondContact O-CB 3.48Å; R12-A16 PolarHBondContact O-N 2.66Å; I13-A16 PolarHBondContact O-N 2.81Å; A16-R18 VanDerWaalsContact C-N 3.25Å; A16-R18 PolarHBondContact O-N 2.82Å; A16-E19 CarbonylContact O-C 3.49Å; A16-E19 PolarHBondContact O-N 2.99Å; A16-T20 PolarHBondContact O-N 2.98Å; A16-T20 PolarHBondContact O-OG1 3.23Å |
| 17 | S | 53.4 | Low | 50.9 | Low | 53 Ų | 53 | 107.1 Ų | 107.1 | 37% | 0.371 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -53.6 | -38.5 | 172.6 | 163.4 | 0 | 0 | 0 | 0 | 113.1 | I13 R21 | I13-S17 WeakPolarHBondContact O-CB 3.25Å; I13-S17 PolarHBondContact O-N 3.07Å; S17-R21 WeakPolarHBondContact O-CB 3.47Å; S17-R21 WeakPolarHBondContact O-CG 3.24Å; S17-R21 PolarHBondContact O-N 2.81Å; S17-R21 VanDerWaalsContact O-N 3.07Å |
| 18 | R | 50.2 | Low | 49.9 | Very low | 187 Ų | 187 | 105.4 Ų | 105.4 | 71% | 0.706 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -73.1 | -33 | 175.7 | -77.9 | 175 | 175.9 | -170.6 | -1 | 112.8 | N14 K15 A16 R22 | N14-R18 WeakPolarHBondContact O-CD 3.25Å; N14-R18 VanDerWaalsContact O-CG 3.25Å; N14-R18 WeakPolarHBondContact O-CG 3.31Å; N14-R18 PolarHBondContact O-N 2.97Å; K15-R18 WeakPolarHBondContact O-CB 3.43Å; K15-R18 PolarHBondContact O-N 3.03Å; K15-R18 VanDerWaalsContact O-N 3.12Å; A16-R18 VanDerWaalsContact C-N 3.25Å; A16-R18 PolarHBondContact O-N 2.82Å; R18-R22 WeakPolarHBondContact O-CG 3.45Å; R18-R22 PolarHBondContact O-N 3.12Å |
| 19 | E | 51.3 | Low | 48.9 | Very low | 108 Ų | 108 | 110.8 Ų | 110.8 | 51% | 0.505 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -77.8 | -39.9 | 177 | -74.1 | 169.4 | -175.2 | 0 | 0 | 111.8 | K15 A16 R22 S23 | K15-E19 VanDerWaalsContact CE-OE1 3.25Å; K15-E19 WeakPolarHBondContact CE-OE1 3.31Å; K15-E19 PolarHBondContact O-N 2.78Å; A16-E19 CarbonylContact O-C 3.49Å; A16-E19 PolarHBondContact O-N 2.99Å; E19-R22 CarbonylContact O-C 3.58Å; E19-R22 WeakPolarHBondContact O-CA 3.36Å; E19-R22 WeakPolarHBondContact O-CB 3.41Å; E19-R22 PolarHBondContact O-N 3.35Å; E19-S23 PolarHBondContact O-N 3.31Å; E19-S23 PolarHBondContact O-OG 3.27Å |
| 20 | T | 49 | Very low | 47.9 | Very low | 65 Ų | 65 | 115 Ų | 115 | 40% | 0.399 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.5 | -36.9 | 174.2 | -33.9 | 0 | 0 | 0 | 0 | 111.8 | A16 R22 S23 Q24 | A16-T20 PolarHBondContact O-N 2.98Å; A16-T20 PolarHBondContact O-OG1 3.23Å; T20-R22 PolarHBondContact O-N 2.7Å; T20-S23 PolarHBondContact O-N 3.35Å; T20-S23 PolarHBondContact O-OG 3.05Å; T20-Q24 HydrophobicContact CG2-CG 4.36Å; T20-Q24 VanDerWaalsContact O-CB 3.29Å; T20-Q24 WeakPolarHBondContact O-CB 3.46Å; T20-Q24 WeakPolarHBondContact O-CG 3.33Å; T20-Q24 PolarHBondContact O-N 3.07Å |
| 21 | R | 44.9 | Very low | 46.7 | Very low | 185 Ų | 185 | 116.2 Ų | 116.2 | 70% | 0.698 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.4 | -24 | 170 | -82 | -175.2 | -176.7 | -176.3 | 1.8 | 113.2 | S17 V25 | S17-R21 WeakPolarHBondContact O-CB 3.47Å; S17-R21 WeakPolarHBondContact O-CG 3.24Å; S17-R21 PolarHBondContact O-N 2.81Å; S17-R21 VanDerWaalsContact O-N 3.07Å; R21-V25 VanDerWaalsContact O-CG2 3.3Å; R21-V25 WeakPolarHBondContact O-CG2 3.35Å |
| 22 | R | 42.1 | Very low | 45 | Very low | 208 Ų | 208 | 114.7 Ų | 114.7 | 79% | 0.785 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -84 | -31.3 | 175.1 | -79.4 | 176.5 | 174.2 | -174.6 | -2.7 | 112.5 | R18 E19 T20 | R18-R22 WeakPolarHBondContact O-CG 3.45Å; R18-R22 PolarHBondContact O-N 3.12Å; E19-R22 CarbonylContact O-C 3.58Å; E19-R22 WeakPolarHBondContact O-CA 3.36Å; E19-R22 WeakPolarHBondContact O-CB 3.41Å; E19-R22 PolarHBondContact O-N 3.35Å; T20-R22 PolarHBondContact O-N 2.7Å |
| 23 | S | 44.7 | Very low | 43.5 | Very low | 63 Ų | 63 | 116.4 Ų | 116.4 | 44% | 0.441 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -82.9 | -32.7 | 176.6 | 65.4 | 0 | 0 | 0 | 0 | 113.7 | E19 T20 V25 A26 T27 | E19-S23 PolarHBondContact O-N 3.31Å; E19-S23 PolarHBondContact O-OG 3.27Å; T20-S23 PolarHBondContact O-N 3.35Å; T20-S23 PolarHBondContact O-OG 3.05Å; S23-V25 VanDerWaalsContact C-N 3.25Å; S23-V25 PolarHBondContact O-N 3.29Å; S23-A26 PolarHBondContact O-N 3.16Å; S23-T27 PolarHBondContact O-OG1 2.74Å |
| 24 | Q | 40.8 | Very low | 41.9 | Very low | 122 Ų | 122 | 118 Ų | 118 | 57% | 0.57 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -17.4 | 176.3 | -77.7 | 178.9 | -29.9 | 0 | 0 | 113.8 | T20 A26 | T20-Q24 HydrophobicContact CG2-CG 4.36Å; T20-Q24 VanDerWaalsContact O-CB 3.29Å; T20-Q24 WeakPolarHBondContact O-CB 3.46Å; T20-Q24 WeakPolarHBondContact O-CG 3.33Å; T20-Q24 PolarHBondContact O-N 3.07Å; Q24-A26 VanDerWaalsContact C-N 3.27Å |
| 25 | V | 42 | Very low | 40.6 | Very low | 124 Ų | 124 | 120.2 Ų | 120.2 | 75% | 0.752 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -12 | 171 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | R21 S23 | R21-V25 VanDerWaalsContact O-CG2 3.3Å; R21-V25 WeakPolarHBondContact O-CG2 3.35Å; S23-V25 VanDerWaalsContact C-N 3.25Å; S23-V25 PolarHBondContact O-N 3.29Å |
| 26 | A | 38.3 | Very low | 39.1 | Very low | 84 Ų | 84 | 122.3 Ų | 122.3 | 69% | 0.694 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -107.9 | 1.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S23 Q24 | S23-A26 PolarHBondContact O-N 3.16Å; Q24-A26 VanDerWaalsContact C-N 3.27Å |
| 27 | T | 36.8 | Very low | 37.9 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 64% | 0.644 | 69% | 0.692 | S | S | * | * | trans | -131.4 | 37.3 | -176.6 | 28 | 0 | 0 | 0 | 0 | 113.5 | S23 I29 | S23-T27 PolarHBondContact O-OG1 2.74Å; T27-I29 VanDerWaalsContact C-N 3.32Å; T27-I29 PolarHBondContact O-N 3.2Å | ||
| 28 | N | 33.7 | Very low | 36.7 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 78% | 0.775 | 71% | 0.709 | S | S | * | * | trans | -93 | 51.9 | 169.5 | -81.5 | -17.2 | 0 | 0 | 0 | 111.8 | ||||
| 29 | I | 32.1 | Very low | 35.6 | Very low | 154 Ų | 154 | 132.2 Ų | 132.2 | 79% | 0.79 | 72% | 0.715 | S | S | * | * | trans | -148.8 | 132.1 | 165.8 | -52 | -179.9 | 0 | 0 | 0 | 105.9 | T27 | T27-I29 VanDerWaalsContact C-N 3.32Å; T27-I29 PolarHBondContact O-N 3.2Å | ||
| 30 | V | 33.7 | Very low | 34.5 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 72% | 0.721 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 107 | 104.1 | 169.6 | -170.4 | 0 | 0 | 0 | 0 | 116 | ||
| 31 | N | 32.1 | Very low | 33.7 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | 103.3 | 91.4 | 151.4 | -63.8 | -11.7 | 0 | 0 | 0 | 120.3 | ||||
| 32 | S | 27.3 | Very low | 33.5 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | -48.6 | 127.8 | 147.3 | 55.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 33 | C | 29.3 | Very low | 34.1 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 90% | 0.899 | 76% | 0.755 | S | S | * | * | trans | -152.5 | 112.3 | 134.9 | -98.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 34 | A | 28.2 | Very low | 35.1 | Very low | 98 Ų | 98 | 142.2 Ų | 142.2 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | trans | -70.6 | 132.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 35 | D | 29.4 | Very low | 37 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | -157.4 | 122.7 | 131.4 | -121.6 | -20.3 | 0 | 0 | 0 | 110 | ||||
| 36 | E | 28.3 | Very low | 39.2 | Very low | 175 Ų | 175 | 137 Ų | 137 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | -67 | 131.4 | 171.5 | -65.2 | 174.2 | 138.8 | 0 | 0 | 109.9 | ||||
| 37 | R | 28.6 | Very low | 41.7 | Very low | 214 Ų | 214 | 133.2 Ų | 133.2 | 81% | 0.808 | 70% | 0.701 | S | S | * | * | trans | 178 | 117.4 | 135.9 | -99.8 | 166.8 | -92.2 | -160 | -2.4 | 113.1 | ||||
| 38 | I | 28 | Very low | 44.5 | Very low | 141 Ų | 141 | 128.2 Ų | 128.2 | 72% | 0.723 | 67% | 0.671 | S | S | * | * | trans | 61.5 | 116.5 | 144.9 | -49.6 | 166 | 0 | 0 | 0 | 117.2 | E40 | I38-E40 PolarHBondContact O-N 3.31Š| ||
| 39 | P | 26.9 | Very low | 47.4 | Very low | 127 Ų | 127 | 121.3 Ų | 121.3 | 83% | 0.825 | 63% | 0.634 | S | S | * | * | trans | -72.6 | 98 | 168.9 | 30.4 | -29.1 | 0 | 0 | 0 | 109 | K41 | P39-K41 PolarHBondContact O-N 2.99Å; P39-K41 VanDerWaalsContact O-N 3.09Å | ||
| 40 | E | 28.1 | Very low | 50.4 | Low | 180 Ų | 180 | 114 Ų | 114 | 84% | 0.841 | 60% | 0.596 | S | S | * | * | trans | -56.7 | 113.2 | 168 | -122 | -179 | 179.6 | 0 | 0 | 108.7 | I38 R42 | I38-E40 PolarHBondContact O-N 3.31Å; E40-R42 VanDerWaalsContact C-N 3.3Å; E40-R42 PolarHBondContact O-N 3.43Å | ||
| 41 | K | 31.5 | Very low | 53.2 | Low | 200 Ų | 200 | 108.3 Ų | 108.3 | 87% | 0.87 | 56% | 0.562 | S | S | * | * | trans | -58.4 | 95.3 | 166.7 | -87.3 | 179.4 | 174 | 175.5 | 0 | 107.7 | P39 Q43 | P39-K41 PolarHBondContact O-N 2.99Å; P39-K41 VanDerWaalsContact O-N 3.09Å; K41-Q43 PolarHBondContact O-N 3.17Å | ||
| 42 | R | 42.5 | Very low | 56.1 | Low | 172 Ų | 172 | 102.9 Ų | 102.9 | 65% | 0.649 | 53% | 0.531 | S | S | * | . | trans | -50.5 | 111.6 | 172.6 | -98.4 | -178.9 | 178.4 | 170.6 | 1.7 | 109.3 | E40 L44 | E40-R42 VanDerWaalsContact C-N 3.3Å; E40-R42 PolarHBondContact O-N 3.43Å; R42-L44 PolarHBondContact O-N 3.44Å | ||
| 43 | Q | 53.5 | Low | 59.1 | Low | 187 Ų | 187 | 101 Ų | 101 | 87% | 0.874 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -61 | 119.7 | 173.4 | -79.3 | 175.7 | -18.6 | 0 | 0 | 109 | K41 T45 | K41-Q43 PolarHBondContact O-N 3.17Å; Q43-T45 PolarHBondContact O-N 2.89Å |
| 44 | L | 67 | Low | 61.8 | Low | 100 Ų | 100 | 100.3 Ų | 100.3 | 52% | 0.524 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 122.8 | 174.3 | -73 | 163.9 | 0 | 0 | 0 | 109.4 | R42 H94 | R42-L44 PolarHBondContact O-N 3.44Å; L44-H94 HydrophobicContact CB-CB 4.02Å; L44-H94 HydrophobicContact CD1-CB 4.46Å; L44-H94 PolarHBondContact O-CE1 2.72Å; L44-H94 PolarHBondContact O-ND1 3.43Å |
| 45 | T | 80.1 | Confident | 64.4 | Low | 83 Ų | 83 | 100.1 Ų | 100.1 | 51% | 0.509 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -70 | 140.2 | 176.4 | 53.7 | 0 | 0 | 0 | 0 | 110.7 | Q43 D47 H94 | Q43-T45 PolarHBondContact O-N 2.89Å; T45-D47 PolarHBondContact O-N 3.27Å; T45-H94 PolarHBondContact O-ND1 3.33Å |
| 46 | I | 88.6 | Confident | 66.9 | Low | 52 Ų | 52 | 102 Ų | 102 | 27% | 0.267 | 47% | 0.472 | S | S | . | . | trans | -80 | 114.5 | 174.2 | -57.9 | 166.1 | 0 | 0 | 0 | 107.9 | V49 L92 H94 V219 | I46-V49 HydrophobicContact CG2-CG2 4.06Å; I46-L92 HydrophobicContact CD1-CD1 4.18Å; I46-L92 HydrophobicContact CD1-CD2 4.48Å; I46-L92 HydrophobicContact CG2-CB 4.37Å; I46-L92 HydrophobicContact CG2-CD2 4.28Å; I46-H94 WeakPolarHBondContact CG1-CE1 3.02Å; I46-V219 HydrophobicContact CB-CG2 4.4Å; I46-V219 HydrophobicContact CG2-CG2 3.69Å | ||
| 47 | D | 90.5 | Very high | 69.5 | Low | 5 Ų | 5 | 100.1 Ų | 100.1 | 3% | 0.027 | 46% | 0.463 | C | S | . | . | trans | -86.7 | -45.9 | -179.3 | -69.1 | -49 | 0 | 0 | 0 | 111.7 | T45 I93 V95 R181 V185 | T45-D47 PolarHBondContact O-N 3.27Å; D47-I93 PolarHBondContact N-O 2.86Å; D47-V95 PolarHBondContact OD2-N 3.34Å; D47-R181 IonicContact OD1-CZ 3.76Å; D47-R181 IonicContact OD1-NE 3.35Å; D47-R181 PolarHBondContact OD1-NE 2.96Å; D47-R181 IonicContact OD1-NH2 3.82Å; D47-R181 PolarHBondContact OD1-NH2 3.06Å; D47-R181 IonicContact OD2-CZ 2.82Å; D47-R181 IonicContact OD2-NE 2.8Å; D47-R181 IonicContact OD2-NH2 3.48Å; D47-R181 PolarHBondContact OD2-NH2 2.86Å; D47-V185 HydrophobicContact CB-CG1 4.36Å; D47-V185 HydrophobicContact CB-CG2 4.22Å | ||
| 48 | F | 94.5 | Very high | 72.2 | Confident | 0 Ų | 0 | 91.2 Ų | 91.2 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 156.1 | -177.6 | -88.9 | -95.4 | 0 | 0 | 0 | 111.9 | I93 Q182 V185 W186 M189 Y217 P218 V694 | F48-I93 HydrophobicContact CB-CB 4.13Å; F48-I93 HydrophobicContact CB-CD1 4.07Å; F48-I93 HydrophobicContact CB-CG1 4.43Å; F48-I93 WeakPolarHBondContact O-CB 3.33Å; F48-I93 PolarHBondContact O-N 3.43Å; F48-Q182 HydrophobicContact CE2-CB 4.03Å; F48-Q182 HydrophobicContact CE2-CG 4.39Å; F48-Q182 VanDerWaalsContact CE2-O 3.31Å; F48-Q182 WeakPolarHBondContact CE2-O 3.47Å; F48-Q182 HydrophobicContact CZ-CB 4.48Å; F48-V185 HydrophobicContact CD2-CB 4.02Å; F48-V185 HydrophobicContact CD2-CG1 3.57Å; F48-V185 HydrophobicContact CE2-CB 4.02Å; F48-V185 HydrophobicContact CE2-CG1 4.04Å; F48-V185 HydrophobicContact CG-CG1 4.45Å; F48-W186 HydrophobicContact CD1-CE3 4.29Å; F48-W186 HydrophobicContact CE1-CD2 4.48Å; F48-W186 AromaticContact CE1-CE3 3.51Å; F48-W186 HydrophobicContact CE1-CE3 3.51Å; F48-W186 HydrophobicContact CE1-CZ3 4.07Å; F48-W186 HydrophobicContact CE2-CB 4.36Å; F48-W186 HydrophobicContact CZ-CB 3.89Å; F48-W186 AromaticContact CZ-CE3 3.94Å; F48-W186 HydrophobicContact CZ-CE3 3.94Å; F48-M189 HydrophobicContact CB-CE 4.28Å; F48-M189 HydrophobicContact CD1-CE 3.78Å; F48-M189 HydrophobicContact CD2-CE 4.08Å; F48-M189 HydrophobicContact CE1-CE 4.1Å; F48-M189 HydrophobicContact CE2-CE 4.38Å; F48-M189 HydrophobicContact CG-CE 3.77Å; F48-M189 HydrophobicContact CZ-CE 4.39Å; F48-Y217 WeakPolarHBondContact CA-O 3.32Å; F48-Y217 VanDerWaalsContact CD1-C 3.47Å; F48-Y217 WeakPolarHBondContact CD1-O 2.97Å; F48-P218 HydrophobicContact CE1-CB 4.21Å; F48-P218 HydrophobicContact CE1-CG 4.37Å; F48-P218 HydrophobicContact CE2-CB 4.42Å; F48-P218 HydrophobicContact CZ-CB 4.1Å; F48-P218 HydrophobicContact CZ-CG 4.42Å; F48-V694 HydrophobicContact CE1-CG2 4.21Å; F48-V694 HydrophobicContact CZ-CG1 4.47Å |
| 49 | V | 94.7 | Very high | 75.1 | Confident | 0 Ų | 0 | 87.9 Ų | 87.9 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 125.1 | 175.9 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | I46 T51 I90 V91 L92 A216 Y217 V219 W630 | I46-V49 HydrophobicContact CG2-CG2 4.06Å; V49-T51 HydrophobicContact CG1-CG2 4.2Å; V49-I90 HydrophobicContact CG1-CG2 3.66Å; V49-V91 WeakPolarHBondContact CA-O 3.3Å; V49-L92 HydrophobicContact CG1-CD2 4.24Å; V49-L92 HydrophobicContact CG2-CD2 3.85Å; V49-A216 VanDerWaalsContact O-CA 3.31Å; V49-A216 WeakPolarHBondContact O-CA 3.26Å; V49-Y217 HydrophobicContact CB-CD2 4.42Å; V49-Y217 HydrophobicContact CB-CE1 4.14Å; V49-Y217 HydrophobicContact CB-CE2 3.95Å; V49-Y217 HydrophobicContact CG1-CE1 4.11Å; V49-Y217 HydrophobicContact CG1-CE2 4.39Å; V49-Y217 WeakPolarHBondContact CG1-OH 3.43Å; V49-Y217 HydrophobicContact CG2-CE2 4.22Å; V49-Y217 PolarHBondContact N-O 3.48Å; V49-Y217 PolarHBondContact O-N 3.19Å; V49-Y217 VanDerWaalsContact O-N 3.1Å; V49-V219 HydrophobicContact CG2-CG2 3.32Å; V49-W630 HydrophobicContact CG2-CB 3.72Å |
| 50 | L | 94.9 | Very high | 78.1 | Confident | 0 Ų | 0 | 86.2 Ų | 86.2 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 143.2 | 168.2 | -50.1 | 178.7 | 0 | 0 | 0 | 109.5 | M69 I90 V91 I93 I204 Y213 H215 A216 | L50-M69 HydrophobicContact CD1-CE 4.23Å; L50-I90 CarbonylContact O-C 3.56Å; L50-I90 WeakPolarHBondContact O-CA 3.39Å; L50-V91 HydrophobicContact CB-CB 4.11Å; L50-V91 HydrophobicContact CB-CG2 4.42Å; L50-V91 PolarHBondContact N-O 2.99Å; L50-V91 PolarHBondContact O-N 2.62Å; L50-I93 HydrophobicContact CD1-CD1 3.87Å; L50-I93 HydrophobicContact CD2-CD1 4.37Å; L50-I93 HydrophobicContact CG-CD1 3.83Å; L50-I204 HydrophobicContact CD1-CD1 4.33Å; L50-I204 HydrophobicContact CD2-CD1 4.09Å; L50-I204 HydrophobicContact CD2-CG1 4.39Å; L50-Y213 HydrophobicContact CB-CD1 3.9Å; L50-Y213 HydrophobicContact CB-CE1 4.02Å; L50-Y213 HydrophobicContact CB-CG 4.48Å; L50-Y213 HydrophobicContact CD1-CD1 4.39Å; L50-Y213 HydrophobicContact CD1-CD2 4.43Å; L50-Y213 HydrophobicContact CD1-CE1 4.05Å; L50-Y213 HydrophobicContact CD1-CE2 4.07Å; L50-H215 WeakPolarHBondContact CA-O 3.2Å; L50-A216 HydrophobicContact CD2-CB 3.39Å |
| 51 | T | 93 | Very high | 81 | Confident | 1 Ų | 1 | 79.5 Ų | 79.5 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 140.5 | 175.1 | 70.2 | 0 | 0 | 0 | 0 | 110.6 | V49 V89 I90 D214 H215 Y217 L634 | V49-T51 HydrophobicContact CG1-CG2 4.2Å; T51-V89 WeakPolarHBondContact CA-O 3.11Å; T51-I90 HydrophobicContact CG2-CD1 4.46Å; T51-I90 HydrophobicContact CG2-CG1 3.97Å; T51-D214 PolarHBondContact O-N 2.87Å; T51-H215 PolarHBondContact N-O 2.83Å; T51-H215 PolarHBondContact O-N 3.07Å; T51-H215 WeakPolarHBondContact OG1-CB 3.32Å; T51-H215 PolarHBondContact OG1-CD2 3.41Å; T51-H215 PolarHBondContact OG1-N 2.91Å; T51-Y217 HydrophobicContact CG2-CE1 4.4Å; T51-L634 HydrophobicContact CG2-CD1 3.73Å |
| 52 | Y | 93 | Very high | 83.9 | Confident | 34 Ų | 34 | 70.6 Ų | 70.6 | 13% | 0.133 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 152 | 171.6 | 64 | -83.5 | 0 | 0 | 0 | 111.4 | H88 V89 V91 Y213 D214 | Y52-H88 CarbonylContact O-C 3.56Å; Y52-H88 WeakPolarHBondContact O-CA 3.16Å; Y52-V89 HydrophobicContact CD1-CB 4.22Å; Y52-V89 HydrophobicContact CD2-CB 4.35Å; Y52-V89 HydrophobicContact CE1-CB 3.66Å; Y52-V89 HydrophobicContact CE1-CG1 3.77Å; Y52-V89 HydrophobicContact CE2-CB 3.77Å; Y52-V89 HydrophobicContact CE2-CG1 4.44Å; Y52-V89 HydrophobicContact CE2-CG2 3.94Å; Y52-V89 VanDerWaalsContact CZ-CB 3.4Å; Y52-V89 PolarHBondContact N-O 3.33Å; Y52-V89 PolarHBondContact O-N 2.89Å; Y52-V89 WeakPolarHBondContact OH-CG1 3.37Å; Y52-V91 HydrophobicContact CD1-CG2 4.31Å; Y52-V91 HydrophobicContact CE1-CG2 3.77Å; Y52-Y213 AromaticContact CD1-CD1 3.79Å; Y52-Y213 HydrophobicContact CD1-CD1 3.79Å; Y52-Y213 AromaticContact CD1-CE1 3.51Å; Y52-Y213 HydrophobicContact CD1-CE1 3.51Å; Y52-Y213 HydrophobicContact CE1-CE1 4.08Å; Y52-Y213 HydrophobicContact CG-CD1 4.24Å; Y52-Y213 HydrophobicContact CG-CE1 4.25Å; Y52-D214 VanDerWaalsContact CA-OD2 3.3Å; Y52-D214 WeakPolarHBondContact CA-OD2 3.25Å |
| 53 | R | 90.6 | Very high | 86.3 | Confident | 71 Ų | 71 | 69.6 Ų | 69.6 | 27% | 0.268 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 139.9 | 171.6 | -71.9 | 178.1 | -76.4 | 169.6 | -1.5 | 111.9 | Q55 E86 H88 D214 | R53-Q55 HydrophobicContact CB-CG 4.23Å; R53-Q55 PolarHBondContact O-N 3.17Å; R53-E86 WeakPolarHBondContact CD-OE2 3.25Å; R53-E86 IonicContact NE-OE2 3.78Å; R53-E86 IonicContact NH1-OE2 2.67Å; R53-H88 WeakPolarHBondContact CG-CE1 3.42Å; R53-H88 WeakPolarHBondContact CG-NE2 3.43Å; R53-D214 WeakPolarHBondContact CG-OD2 3.47Å; R53-D214 PolarHBondContact N-OD2 2.67Å; R53-D214 IonicContact NE-OD1 3.4Å; R53-D214 IonicContact NE-OD2 3.63Å; R53-D214 IonicContact NH2-OD1 3.84Å |
| 54 | K | 86 | Confident | 88.2 | Confident | 118 Ų | 118 | 63 Ų | 63 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -72.5 | 70.6 | 179.4 | -166.9 | 170.7 | 177.8 | 167.6 | 0 | 111.3 | E80 Q87 V89 | K54-E80 IonicContact NZ-OE1 2.56Å; K54-E80 PolarHBondContact NZ-OE1 3.36Å; K54-E80 IonicContact NZ-OE2 2.68Å; K54-E80 PolarHBondContact NZ-OE2 3.34Å; K54-Q87 HydrophobicContact CB-CB 4.25Å; K54-Q87 WeakPolarHBondContact CB-O 3.49Å; K54-Q87 PolarHBondContact N-O 3.16Å; K54-V89 HydrophobicContact CB-CG2 4.3Å; K54-V89 HydrophobicContact CD-CG2 4.46Å; K54-V89 HydrophobicContact CG-CG2 4.41Å |
| 55 | Q | 83.2 | Confident | 89.5 | Confident | 94 Ų | 94 | 58.3 Ų | 58.3 | 44% | 0.439 | 26% | 0.262 | S | S | . | . | trans | -116.9 | 146.9 | 178.2 | -65.9 | 179.3 | -12.8 | 0 | 0 | 110.3 | R53 E57 R62 | R53-Q55 HydrophobicContact CB-CG 4.23Å; R53-Q55 PolarHBondContact O-N 3.17Å; Q55-E57 PolarHBondContact O-N 2.92Å; Q55-R62 PolarHBondContact O-NH2 3.47Å | ||
| 56 | K | 81.9 | Confident | 90.1 | Very high | 187 Ų | 187 | 55 Ų | 55 | 81% | 0.813 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -68 | -23.5 | 177.3 | -71.1 | -173.9 | 177.1 | -179.5 | 0 | 112.9 | E59 | K56-E59 WeakPolarHBondContact O-CB 3.19Å; K56-E59 PolarHBondContact O-N 3.07Å |
| 57 | E | 83.5 | Confident | 90.4 | Very high | 136 Ų | 136 | 58.4 Ų | 58.4 | 64% | 0.636 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 137.5 | -179.5 | -160 | 179.9 | 167.2 | 0 | 0 | 111.4 | Q55 E59 R62 | Q55-E57 PolarHBondContact O-N 2.92Å; E57-E59 PolarHBondContact O-N 2.86Å; E57-E59 VanDerWaalsContact O-N 3.13Å; E57-R62 VanDerWaalsContact O-CZ 3.3Å; E57-R62 PolarHBondContact O-NH1 2.97Å; E57-R62 PolarHBondContact O-NH2 3.42Å |
| 58 | N | 85.2 | Confident | 90.6 | Very high | 27 Ų | 27 | 59.7 Ų | 59.7 | 14% | 0.144 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 15 | -177.4 | -62.3 | -61.9 | 0 | 0 | 0 | 116.1 | H60 R61 R62 V212 | N58-H60 VanDerWaalsContact C-N 3.27Å; N58-H60 PolarHBondContact O-N 3.46Å; N58-R61 PolarHBondContact O-N 3.42Å; N58-R61 VanDerWaalsContact O-N 3.09Å; N58-R61 PolarHBondContact OD1-NH1 3.36Å; N58-R62 PolarHBondContact O-N 3.42Å; N58-R62 VanDerWaalsContact O-N 3.13Å; N58-V212 HydrophobicContact CB-CB 4.38Å; N58-V212 HydrophobicContact CB-CG1 4.06Å; N58-V212 HydrophobicContact CB-CG2 3.84Å |
| 59 | E | 88.8 | Confident | 90.6 | Very high | 71 Ų | 71 | 59.7 Ų | 59.7 | 33% | 0.332 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.3 | -38.9 | 179.6 | -174 | 174.5 | -171.4 | 0 | 0 | 112.5 | K56 E57 R61 R62 R63 | K56-E59 WeakPolarHBondContact O-CB 3.19Å; K56-E59 PolarHBondContact O-N 3.07Å; E57-E59 PolarHBondContact O-N 2.86Å; E57-E59 VanDerWaalsContact O-N 3.13Å; E59-R61 VanDerWaalsContact C-N 3.3Å; E59-R61 PolarHBondContact O-N 3.27Å; E59-R62 PolarHBondContact O-N 3.1Å; E59-R63 HydrophobicContact CG-CG 4.31Å; E59-R63 WeakPolarHBondContact O-CG 3.42Å; E59-R63 PolarHBondContact O-N 2.86Å; E59-R63 IonicContact OE1-CZ 2.7Å; E59-R63 IonicContact OE1-NE 3.12Å; E59-R63 PolarHBondContact OE1-NE 3.44Å; E59-R63 IonicContact OE1-NH2 2.66Å; E59-R63 PolarHBondContact OE1-NH2 3.29Å |
| 60 | H | 89.8 | Confident | 90.6 | Very high | 93 Ų | 93 | 64.2 Ų | 64.2 | 43% | 0.431 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.2 | -38.6 | 176.9 | 74.8 | 79.3 | 0 | 0 | 0 | 112.2 | N58 F64 | N58-H60 VanDerWaalsContact C-N 3.27Å; N58-H60 PolarHBondContact O-N 3.46Å; H60-F64 WeakPolarHBondContact O-CB 3.44Å; H60-F64 PolarHBondContact O-N 3.19Å |
| 61 | R | 89.6 | Confident | 90.5 | Very high | 38 Ų | 38 | 68.1 Ų | 68.1 | 14% | 0.143 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.5 | -42.8 | 177.8 | -65.4 | -165.3 | 169.4 | 131.6 | -1.4 | 111 | N58 E59 F64 F65 D195 V212 | N58-R61 PolarHBondContact O-N 3.42Å; N58-R61 VanDerWaalsContact O-N 3.09Å; N58-R61 PolarHBondContact OD1-NH1 3.36Å; E59-R61 VanDerWaalsContact C-N 3.3Å; E59-R61 PolarHBondContact O-N 3.27Å; R61-F64 PolarHBondContact O-N 3.25Å; R61-F65 WeakPolarHBondContact O-CB 3.44Å; R61-F65 PolarHBondContact O-N 3.06Å; R61-D195 IonicContact CZ-OD2 2.64Å; R61-D195 VanDerWaalsContact CZ-OD2 3.3Å; R61-D195 IonicContact NE-OD2 3.19Å; R61-D195 PolarHBondContact NE-OD2 3.44Å; R61-D195 IonicContact NH2-OD2 3.88Å; R61-D195 PolarHBondContact NH2-OD2 3.46Å; R61-V212 HydrophobicContact CB-CG1 4.31Å |
| 62 | R | 92.3 | Very high | 90.5 | Very high | 14 Ų | 14 | 70.9 Ų | 70.9 | 5% | 0.053 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.5 | -50 | 176 | -72 | -171.2 | -66.5 | -84.2 | -2.1 | 111.5 | Q55 E57 N58 E59 F64 F65 N66 V212 Y213 | Q55-R62 PolarHBondContact O-NH2 3.47Å; E57-R62 VanDerWaalsContact O-CZ 3.3Å; E57-R62 PolarHBondContact O-NH1 2.97Å; E57-R62 PolarHBondContact O-NH2 3.42Å; N58-R62 PolarHBondContact O-N 3.42Å; N58-R62 VanDerWaalsContact O-N 3.13Å; E59-R62 PolarHBondContact O-N 3.1Å; R62-F64 VanDerWaalsContact C-N 3.35Å; R62-F64 PolarHBondContact O-N 3.37Å; R62-F65 PolarHBondContact O-N 2.85Å; R62-N66 WeakPolarHBondContact O-CB 3.43Å; R62-N66 PolarHBondContact O-N 3.01Å; R62-N66 PolarHBondContact O-ND2 3.05Å; R62-N66 PolarHBondContact O-OD1 3.02Å; R62-V212 HydrophobicContact CG-CG1 3.34Å; R62-Y213 HydrophobicContact CG-CE1 4.47Å |
| 63 | R | 92.5 | Very high | 90.5 | Very high | 151 Ų | 151 | 70.5 Ų | 70.5 | 57% | 0.57 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.8 | -45.3 | 178.8 | -71 | -178.1 | -175.8 | -169 | 0.5 | 111.4 | E59 N66 Q67 | E59-R63 HydrophobicContact CG-CG 4.31Å; E59-R63 WeakPolarHBondContact O-CG 3.42Å; E59-R63 PolarHBondContact O-N 2.86Å; E59-R63 IonicContact OE1-CZ 2.7Å; E59-R63 IonicContact OE1-NE 3.12Å; E59-R63 PolarHBondContact OE1-NE 3.44Å; E59-R63 IonicContact OE1-NH2 2.66Å; E59-R63 PolarHBondContact OE1-NH2 3.29Å; R63-N66 PolarHBondContact O-N 2.77Å; R63-Q67 WeakPolarHBondContact O-CB 3.47Å; R63-Q67 VanDerWaalsContact O-CG 3.28Å; R63-Q67 WeakPolarHBondContact O-CG 3.5Å; R63-Q67 PolarHBondContact O-N 3.45Å |
| 64 | F | 93.3 | Very high | 90.6 | Very high | 49 Ų | 49 | 67.3 Ų | 67.3 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 177.6 | -177.7 | -108.2 | 0 | 0 | 0 | 112.4 | H60 R61 R62 N66 Q67 N68 P193 D195 P196 | H60-F64 WeakPolarHBondContact O-CB 3.44Å; H60-F64 PolarHBondContact O-N 3.19Å; R61-F64 PolarHBondContact O-N 3.25Å; R62-F64 VanDerWaalsContact C-N 3.35Å; R62-F64 PolarHBondContact O-N 3.37Å; F64-N66 PolarHBondContact O-N 3.02Å; F64-Q67 PolarHBondContact O-N 2.95Å; F64-N68 WeakPolarHBondContact CD1-ND2 3.49Å; F64-N68 WeakPolarHBondContact CE1-ND2 3.44Å; F64-N68 WeakPolarHBondContact CZ-ND2 3.32Å; F64-N68 VanDerWaalsContact O-CG 3.32Å; F64-N68 PolarHBondContact O-N 3.45Å; F64-N68 PolarHBondContact O-ND2 2.79Å; F64-P193 HydrophobicContact CE1-CB 4.13Å; F64-D195 VanDerWaalsContact CE1-C 3.47Å; F64-P196 HydrophobicContact CD1-CB 4.44Å; F64-P196 HydrophobicContact CD2-CB 3.87Å; F64-P196 HydrophobicContact CE2-CB 4.02Å; F64-P196 HydrophobicContact CG-CB 4.08Å; F64-P196 HydrophobicContact CG-CG 4.34Å; F64-P196 HydrophobicContact CZ-CB 4.36Å |
| 65 | F | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 177.6 | -171 | -104.5 | 0 | 0 | 0 | 112.2 | R61 R62 N68 M69 M189 L192 N194 I204 L207 Y213 | R61-F65 WeakPolarHBondContact O-CB 3.44Å; R61-F65 PolarHBondContact O-N 3.06Å; R62-F65 PolarHBondContact O-N 2.85Å; F65-N68 PolarHBondContact O-N 3.08Å; F65-M69 HydrophobicContact CD1-CE 3.63Å; F65-M69 HydrophobicContact CD1-CG 4.36Å; F65-M69 HydrophobicContact CD1-SD 4.06Å; F65-M69 HydrophobicContact CE1-CE 3.75Å; F65-M69 HydrophobicContact CE1-CG 4.08Å; F65-M69 HydrophobicContact CE1-SD 3.58Å; F65-M69 VanDerWaalsContact CE1-SD 3.58Å; F65-M69 HydrophobicContact CZ-CG 4.48Å; F65-M69 HydrophobicContact CZ-SD 4.34Å; F65-M69 PolarHBondContact O-N 3.36Å; F65-M189 HydrophobicContact CZ-CB 4.39Å; F65-L192 HydrophobicContact CD2-CB 4.33Å; F65-L192 HydrophobicContact CE2-CB 3.75Å; F65-L192 HydrophobicContact CE2-CD1 4.3Å; F65-L192 HydrophobicContact CZ-CB 4.47Å; F65-L192 HydrophobicContact CZ-CD1 4.31Å; F65-N194 HydrophobicContact CD2-CB 3.8Å; F65-N194 HydrophobicContact CE2-CB 4.35Å; F65-I204 HydrophobicContact CE1-CD1 3.9Å; F65-I204 HydrophobicContact CZ-CB 4.16Å; F65-I204 HydrophobicContact CZ-CD1 4.16Å; F65-L207 HydrophobicContact CB-CD1 3.95Å; F65-L207 HydrophobicContact CD1-CD1 3.76Å; F65-L207 HydrophobicContact CD2-CD1 3.66Å; F65-L207 HydrophobicContact CE1-CD1 4.14Å; F65-L207 HydrophobicContact CE2-CD1 4.02Å; F65-L207 HydrophobicContact CG-CD1 3.5Å; F65-L207 HydrophobicContact CZ-CD1 4.26Å; F65-Y213 HydrophobicContact CD1-CE2 4.01Å |
| 66 | N | 93.7 | Very high | 91.6 | Very high | 14 Ų | 14 | 63.2 Ų | 63.2 | 8% | 0.075 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 176 | -68.2 | -7.3 | 0 | 0 | 0 | 112.1 | R62 R63 F64 N68 M69 I70 L76 Y213 | R62-N66 WeakPolarHBondContact O-CB 3.43Å; R62-N66 PolarHBondContact O-N 3.01Å; R62-N66 PolarHBondContact O-ND2 3.05Å; R62-N66 PolarHBondContact O-OD1 3.02Å; R63-N66 PolarHBondContact O-N 2.77Å; F64-N66 PolarHBondContact O-N 3.02Å; N66-N68 VanDerWaalsContact C-N 3.34Å; N66-M69 HydrophobicContact CB-CE 4.38Å; N66-M69 PolarHBondContact O-N 3.1Å; N66-M69 WeakPolarHBondContact OD1-CE 3.31Å; N66-I70 VanDerWaalsContact O-CG1 3.29Å; N66-I70 WeakPolarHBondContact O-CG1 3.3Å; N66-I70 PolarHBondContact O-N 3.19Å; N66-L76 HydrophobicContact CB-CD1 3.88Å; N66-Y213 PolarHBondContact OD1-OH 2.99Å |
| 67 | Q | 94.5 | Very high | 92.1 | Very high | 123 Ų | 123 | 58 Ų | 58 | 58% | 0.575 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61.7 | -41.9 | 173.7 | -75.4 | 171.8 | -14 | 0 | 0 | 111.6 | R63 F64 I70 A71 | R63-Q67 WeakPolarHBondContact O-CB 3.47Å; R63-Q67 VanDerWaalsContact O-CG 3.28Å; R63-Q67 WeakPolarHBondContact O-CG 3.5Å; R63-Q67 PolarHBondContact O-N 3.45Å; F64-Q67 PolarHBondContact O-N 2.95Å; Q67-I70 PolarHBondContact O-N 2.66Å; Q67-A71 VanDerWaalsContact O-CB 3.32Å; Q67-A71 WeakPolarHBondContact O-CB 3.16Å; Q67-A71 PolarHBondContact O-N 2.84Å |
| 68 | N | 93.6 | Very high | 92.6 | Very high | 32 Ų | 32 | 56.4 Ų | 56.4 | 17% | 0.171 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.6 | -37.7 | 176.9 | -66.7 | -29.3 | 0 | 0 | 0 | 112.3 | F64 F65 N66 A71 E72 P193 | F64-N68 WeakPolarHBondContact CD1-ND2 3.49Å; F64-N68 WeakPolarHBondContact CE1-ND2 3.44Å; F64-N68 WeakPolarHBondContact CZ-ND2 3.32Å; F64-N68 VanDerWaalsContact O-CG 3.32Å; F64-N68 PolarHBondContact O-N 3.45Å; F64-N68 PolarHBondContact O-ND2 2.79Å; F65-N68 PolarHBondContact O-N 3.08Å; N66-N68 VanDerWaalsContact C-N 3.34Å; N68-A71 PolarHBondContact O-N 2.76Å; N68-E72 PolarHBondContact O-N 2.94Å; N68-E72 VanDerWaalsContact O-N 3.08Å; N68-P193 PolarHBondContact ND2-O 2.91Å |
| 69 | M | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.5 | -47 | 172.3 | -75 | -170 | -65.7 | 0 | 0 | 111.4 | L50 F65 N66 A71 E72 G73 F74 L76 I93 M189 L192 | L50-M69 HydrophobicContact CD1-CE 4.23Å; F65-M69 HydrophobicContact CD1-CE 3.63Å; F65-M69 HydrophobicContact CD1-CG 4.36Å; F65-M69 HydrophobicContact CD1-SD 4.06Å; F65-M69 HydrophobicContact CE1-CE 3.75Å; F65-M69 HydrophobicContact CE1-CG 4.08Å; F65-M69 HydrophobicContact CE1-SD 3.58Å; F65-M69 VanDerWaalsContact CE1-SD 3.58Å; F65-M69 HydrophobicContact CZ-CG 4.48Å; F65-M69 HydrophobicContact CZ-SD 4.34Å; F65-M69 PolarHBondContact O-N 3.36Å; N66-M69 HydrophobicContact CB-CE 4.38Å; N66-M69 PolarHBondContact O-N 3.1Å; N66-M69 WeakPolarHBondContact OD1-CE 3.31Å; M69-A71 VanDerWaalsContact C-N 3.31Å; M69-A71 PolarHBondContact O-N 3.49Å; M69-E72 PolarHBondContact O-N 3.47Å; M69-G73 PolarHBondContact O-N 2.85Å; M69-F74 HydrophobicContact CB-CB 4.09Å; M69-F74 HydrophobicContact CB-CD2 4.17Å; M69-F74 HydrophobicContact CB-CG 4.16Å; M69-F74 HydrophobicContact CG-CD2 4.26Å; M69-F74 VanDerWaalsContact O-CB 3.26Å; M69-F74 WeakPolarHBondContact O-CB 2.77Å; M69-F74 WeakPolarHBondContact O-CD1 3.13Å; M69-F74 PolarHBondContact O-N 3.21Å; M69-F74 HydrophobicContact SD-CD2 4.29Å; M69-L76 HydrophobicContact CB-CD1 4.3Å; M69-L76 HydrophobicContact CE-CD1 3.86Å; M69-L76 HydrophobicContact CE-CD2 4.08Å; M69-L76 HydrophobicContact SD-CD2 4.36Å; M69-I93 HydrophobicContact SD-CD1 4.07Å; M69-M189 HydrophobicContact SD-CG 4.46Å; M69-M189 HydrophobicContact SD-SD 4.47Å; M69-L192 HydrophobicContact CB-CD1 4.28Å; M69-L192 HydrophobicContact CG-CD1 3.39Å |
| 70 | I | 94.9 | Very high | 93.1 | Very high | 95 Ų | 95 | 60.5 Ų | 60.5 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.6 | -40 | 177.2 | -66.3 | 164.7 | 0 | 0 | 0 | 110.7 | N66 Q67 E72 G73 L76 | N66-I70 VanDerWaalsContact O-CG1 3.29Å; N66-I70 WeakPolarHBondContact O-CG1 3.3Å; N66-I70 PolarHBondContact O-N 3.19Å; Q67-I70 PolarHBondContact O-N 2.66Å; I70-E72 VanDerWaalsContact C-N 3.3Å; I70-E72 PolarHBondContact O-N 3.2Å; I70-G73 WeakPolarHBondContact O-CA 3.44Å; I70-G73 PolarHBondContact O-N 3.17Å; I70-L76 HydrophobicContact CD1-CD1 4.06Å; I70-L76 HydrophobicContact CG1-CD1 3.83Å; I70-L76 HydrophobicContact CG1-CG 4.15Å |
| 71 | A | 94 | Very high | 92.9 | Very high | 83 Ų | 83 | 57.3 Ų | 57.3 | 69% | 0.686 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.9 | -31.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q67 N68 M69 G73 | Q67-A71 VanDerWaalsContact O-CB 3.32Å; Q67-A71 WeakPolarHBondContact O-CB 3.16Å; Q67-A71 PolarHBondContact O-N 2.84Å; N68-A71 PolarHBondContact O-N 2.76Å; M69-A71 VanDerWaalsContact C-N 3.31Å; M69-A71 PolarHBondContact O-N 3.49Å; A71-G73 VanDerWaalsContact C-N 3.26Å |
| 72 | E | 92 | Very high | 92.6 | Very high | 58 Ų | 58 | 61.8 Ų | 61.8 | 27% | 0.271 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -5.5 | 171.1 | -72.2 | -60 | 164.6 | 0 | 0 | 113.9 | N68 M69 I70 F74 R102 Y103 L192 | N68-E72 PolarHBondContact O-N 2.94Å; N68-E72 VanDerWaalsContact O-N 3.08Å; M69-E72 PolarHBondContact O-N 3.47Å; I70-E72 VanDerWaalsContact C-N 3.3Å; I70-E72 PolarHBondContact O-N 3.2Å; E72-F74 HydrophobicContact CB-CD1 4.31Å; E72-F74 HydrophobicContact CB-CE1 4.35Å; E72-R102 IonicContact OE2-NH1 3.92Å; E72-Y103 PolarHBondContact OE2-OH 2.77Å; E72-L192 HydrophobicContact CG-CD2 3.58Å |
| 73 | G | 92.8 | Very high | 91.9 | Very high | 27 Ų | 27 | 62.4 Ų | 62.4 | 28% | 0.278 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104.8 | 16.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | M69 I70 A71 P96 | M69-G73 PolarHBondContact O-N 2.85Å; I70-G73 WeakPolarHBondContact O-CA 3.44Å; I70-G73 PolarHBondContact O-N 3.17Å; A71-G73 VanDerWaalsContact C-N 3.26Å; G73-P96 WeakPolarHBondContact O-CD 3.35Å; G73-P96 WeakPolarHBondContact O-CG 3.17Å |
| 74 | F | 94 | Very high | 90.9 | Very high | 3 Ų | 3 | 62.2 Ų | 62.2 | 1% | 0.013 | 31% | 0.313 | C | S | . | . | trans | -79.9 | 140.1 | 179.3 | -69.6 | 35.5 | 0 | 0 | 0 | 110.1 | M69 E72 L76 I93 V95 V99 V185 I188 M189 | M69-F74 HydrophobicContact CB-CB 4.09Å; M69-F74 HydrophobicContact CB-CD2 4.17Å; M69-F74 HydrophobicContact CB-CG 4.16Å; M69-F74 HydrophobicContact CG-CD2 4.26Å; M69-F74 VanDerWaalsContact O-CB 3.26Å; M69-F74 WeakPolarHBondContact O-CB 2.77Å; M69-F74 WeakPolarHBondContact O-CD1 3.13Å; M69-F74 PolarHBondContact O-N 3.21Å; M69-F74 HydrophobicContact SD-CD2 4.29Å; E72-F74 HydrophobicContact CB-CD1 4.31Å; E72-F74 HydrophobicContact CB-CE1 4.35Å; F74-L76 HydrophobicContact CB-CD2 4.28Å; F74-I93 HydrophobicContact CD2-CG2 3.54Å; F74-I93 HydrophobicContact CE2-CG2 4.03Å; F74-I93 HydrophobicContact CG-CG2 4.5Å; F74-V95 HydrophobicContact CD1-CG1 4.4Å; F74-V95 HydrophobicContact CD1-CG2 4.31Å; F74-V95 HydrophobicContact CD2-CG2 3.82Å; F74-V95 HydrophobicContact CE1-CG1 4.2Å; F74-V95 HydrophobicContact CE1-CG2 4.24Å; F74-V95 HydrophobicContact CE2-CG2 3.74Å; F74-V95 HydrophobicContact CG-CG2 4.08Å; F74-V95 HydrophobicContact CZ-CG2 3.94Å; F74-V99 HydrophobicContact CE1-CG1 4.18Å; F74-V185 HydrophobicContact CE2-CG1 4.08Å; F74-V185 HydrophobicContact CZ-CG1 4.44Å; F74-I188 HydrophobicContact CE1-CB 4.4Å; F74-I188 HydrophobicContact CE1-CD1 4.13Å; F74-I188 HydrophobicContact CE1-CG2 3.69Å; F74-I188 HydrophobicContact CZ-CB 3.84Å; F74-I188 HydrophobicContact CZ-CD1 4Å; F74-I188 HydrophobicContact CZ-CG2 3.49Å; F74-I188 VanDerWaalsContact CZ-CG2 3.49Å; F74-M189 HydrophobicContact CE2-CG 4.06Å | ||
| 75 | H | 94.7 | Very high | 90.1 | Very high | 98 Ų | 98 | 69.2 Ų | 69.2 | 45% | 0.454 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 122.3 | 168.3 | -60.1 | -71.3 | 0 | 0 | 0 | 109.4 | H94 P96 | H75-H94 HydrophobicContact CB-CB 4.18Å; H75-H94 PolarHBondContact N-O 3.01Å; H75-H94 PolarHBondContact O-N 2.89Å; H75-P96 WeakPolarHBondContact NE2-CG 3.22Å |
| 76 | L | 94 | Very high | 89.6 | Confident | 28 Ų | 28 | 73.4 Ų | 73.4 | 15% | 0.147 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 123.6 | -177.6 | -54.1 | 179.3 | 0 | 0 | 0 | 109.8 | N66 M69 I70 F74 F78 V91 L92 I93 | N66-L76 HydrophobicContact CB-CD1 3.88Å; M69-L76 HydrophobicContact CB-CD1 4.3Å; M69-L76 HydrophobicContact CE-CD1 3.86Å; M69-L76 HydrophobicContact CE-CD2 4.08Å; M69-L76 HydrophobicContact SD-CD2 4.36Å; I70-L76 HydrophobicContact CD1-CD1 4.06Å; I70-L76 HydrophobicContact CG1-CD1 3.83Å; I70-L76 HydrophobicContact CG1-CG 4.15Å; F74-L76 HydrophobicContact CB-CD2 4.28Å; L76-F78 HydrophobicContact CB-CE2 3.85Å; L76-F78 HydrophobicContact CB-CZ 4.06Å; L76-F78 HydrophobicContact CD1-CZ 4.22Å; L76-V91 HydrophobicContact CB-CG1 4.05Å; L76-V91 HydrophobicContact CD2-CG1 4.09Å; L76-V91 HydrophobicContact CG-CG1 4.45Å; L76-L92 WeakPolarHBondContact CA-O 3.33Å; L76-I93 HydrophobicContact CD2-CB 4.44Å; L76-I93 HydrophobicContact CD2-CG1 3.87Å; L76-I93 HydrophobicContact CD2-CG2 4.39Å |
| 77 | E | 94.3 | Very high | 89.3 | Confident | 78 Ų | 78 | 77.1 Ų | 77.1 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 128.4 | 171.6 | -178.9 | -171.1 | -177.5 | 0 | 0 | 109.3 | K79 V91 L92 H94 | E77-K79 VanDerWaalsContact CD-CE 3.41Å; E77-K79 WeakPolarHBondContact OE1-CE 3.37Å; E77-K79 IonicContact OE1-NZ 2.85Å; E77-K79 PolarHBondContact OE1-NZ 3.48Å; E77-K79 IonicContact OE2-NZ 2.77Å; E77-K79 PolarHBondContact OE2-NZ 2.82Å; E77-V91 CarbonylContact O-C 3.55Å; E77-V91 WeakPolarHBondContact O-CA 3.23Å; E77-L92 HydrophobicContact CB-CB 4.2Å; E77-L92 PolarHBondContact N-O 2.83Å; E77-L92 PolarHBondContact O-N 2.88Å; E77-L92 WeakPolarHBondContact OE2-CD1 3.38Å; E77-H94 IonicContact OE2-NE2 3.48Å |
| 78 | F | 93.7 | Very high | 89.1 | Confident | 102 Ų | 102 | 71.8 Ų | 71.8 | 45% | 0.447 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 130.2 | -177.7 | -62.7 | -91.8 | 0 | 0 | 0 | 110.8 | L76 V89 I90 V91 | L76-F78 HydrophobicContact CB-CE2 3.85Å; L76-F78 HydrophobicContact CB-CZ 4.06Å; L76-F78 HydrophobicContact CD1-CZ 4.22Å; F78-V89 HydrophobicContact CD1-CG1 4.3Å; F78-I90 CarbonylContact C-O 3.59Å; F78-I90 WeakPolarHBondContact CA-O 3.43Å; F78-V91 HydrophobicContact CD1-CB 4.46Å; F78-V91 HydrophobicContact CD1-CG1 4.27Å; F78-V91 HydrophobicContact CD1-CG2 3.79Å; F78-V91 HydrophobicContact CE1-CB 4.34Å; F78-V91 HydrophobicContact CE1-CG1 3.86Å; F78-V91 HydrophobicContact CE1-CG2 3.64Å; F78-V91 HydrophobicContact CZ-CG1 4.16Å |
| 79 | K | 91.9 | Very high | 89 | Confident | 66 Ų | 66 | 70.5 Ų | 70.5 | 29% | 0.287 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 130.2 | 175.8 | -66.6 | -174.4 | 177.1 | 161.9 | 0 | 110.8 | E77 V89 I90 L92 W630 | E77-K79 VanDerWaalsContact CD-CE 3.41Å; E77-K79 WeakPolarHBondContact OE1-CE 3.37Å; E77-K79 IonicContact OE1-NZ 2.85Å; E77-K79 PolarHBondContact OE1-NZ 3.48Å; E77-K79 IonicContact OE2-NZ 2.77Å; E77-K79 PolarHBondContact OE2-NZ 2.82Å; K79-V89 WeakPolarHBondContact O-CA 3.4Å; K79-I90 HydrophobicContact CB-CB 4.45Å; K79-I90 PolarHBondContact N-O 3.34Å; K79-I90 PolarHBondContact O-N 3.17Å; K79-L92 HydrophobicContact CD-CD1 3.98Å; K79-W630 HydrophobicContact CD-CH2 4.21Å; K79-W630 HydrophobicContact CD-CZ2 3.76Å |
| 80 | E | 90.9 | Very high | 89 | Confident | 119 Ų | 119 | 70.5 Ų | 70.5 | 56% | 0.556 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 134 | 171.8 | -57.2 | -160.9 | 163.9 | 0 | 0 | 109.9 | K54 V89 | K54-E80 IonicContact NZ-OE1 2.56Å; K54-E80 PolarHBondContact NZ-OE1 3.36Å; K54-E80 IonicContact NZ-OE2 2.68Å; K54-E80 PolarHBondContact NZ-OE2 3.34Å; E80-V89 HydrophobicContact CG-CG2 4.34Å |
| 81 | I | 87.1 | Confident | 89 | Confident | 26 Ų | 26 | 66 Ų | 66 | 13% | 0.133 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 148.7 | -176.7 | 51.4 | 140.5 | 0 | 0 | 0 | 110.5 | H88 I90 W630 L634 | I81-H88 HydrophobicContact CD1-CB 4.15Å; I81-H88 HydrophobicContact CG1-CB 4.11Å; I81-H88 WeakPolarHBondContact CG1-O 3.46Å; I81-H88 PolarHBondContact N-O 3.35Å; I81-H88 PolarHBondContact O-N 3.43Å; I81-H88 VanDerWaalsContact O-O 3.1Å; I81-I90 HydrophobicContact CD1-CD1 3.21Å; I81-I90 HydrophobicContact CD1-CG1 3.74Å; I81-I90 HydrophobicContact CG1-CD1 3.65Å; I81-I90 HydrophobicContact CG1-CG1 3.83Å; I81-I90 HydrophobicContact CG2-CD1 4.42Å; I81-W630 HydrophobicContact CG2-CH2 4.42Å; I81-L634 HydrophobicContact CD1-CD2 4.43Å |
| 82 | Q | 82.3 | Confident | 89 | Confident | 131 Ų | 131 | 62 Ų | 62 | 61% | 0.612 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 119.7 | 169.2 | -162.7 | 170.5 | -10.9 | 0 | 0 | 109.2 | R631 | Q82-R631 PolarHBondContact O-NH2 2.94Å |
| 83 | Y | 77.2 | Confident | 89.2 | Confident | 28 Ų | 28 | 59.3 Ų | 59.3 | 11% | 0.11 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 130.4 | 179.8 | -177.9 | -112.2 | 0 | 0 | 0 | 109.7 | K85 E86 H88 L634 N635 | Y83-K85 PolarHBondContact O-N 3.07Å; Y83-K85 VanDerWaalsContact O-N 3.16Å; Y83-E86 PolarHBondContact N-O 2.79Å; Y83-E86 PolarHBondContact O-N 3.17Å; Y83-H88 AromaticContact CD1-NE2 3.88Å; Y83-L634 HydrophobicContact CD1-CD2 4.28Å; Y83-L634 HydrophobicContact CD2-CD2 3.92Å; Y83-L634 HydrophobicContact CE1-CD2 4.27Å; Y83-L634 HydrophobicContact CE2-CD2 3.91Å; Y83-L634 HydrophobicContact CE2-CG 4.23Å; Y83-L634 HydrophobicContact CG-CD2 4.1Å; Y83-N635 WeakPolarHBondContact CE2-OD1 3.43Å |
| 84 | Q | 73.1 | Confident | 89.2 | Confident | 146 Ų | 146 | 58.7 Ų | 58.7 | 68% | 0.682 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 40.4 | -178.2 | -62.9 | -177.2 | -18 | 0 | 0 | 114 | E86 | Q84-E86 PolarHBondContact O-N 2.82Š|
| 85 | K | 76.6 | Confident | 89.1 | Confident | 196 Ų | 196 | 58.7 Ų | 58.7 | 85% | 0.852 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 1 | -175.4 | -53.2 | 177 | 179.3 | 176.6 | 0 | 115.6 | Y83 | Y83-K85 PolarHBondContact O-N 3.07Å; Y83-K85 VanDerWaalsContact O-N 3.16Å |
| 86 | E | 82.6 | Confident | 88.8 | Confident | 89 Ų | 89 | 55.4 Ų | 55.4 | 42% | 0.416 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 155.1 | 175.4 | -63.1 | -172.8 | 176.7 | 0 | 0 | 111.2 | R53 Y83 Q84 | R53-E86 WeakPolarHBondContact CD-OE2 3.25Å; R53-E86 IonicContact NE-OE2 3.78Å; R53-E86 IonicContact NH1-OE2 2.67Å; Y83-E86 PolarHBondContact N-O 2.79Å; Y83-E86 PolarHBondContact O-N 3.17Å; Q84-E86 PolarHBondContact O-N 2.82Å |
| 87 | Q | 87.9 | Confident | 88.4 | Confident | 92 Ų | 92 | 55.9 Ų | 55.9 | 43% | 0.43 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 114.1 | 173.8 | -70.9 | -68.2 | -25.7 | 0 | 0 | 109 | K54 | K54-Q87 HydrophobicContact CB-CB 4.25Å; K54-Q87 WeakPolarHBondContact CB-O 3.49Å; K54-Q87 PolarHBondContact N-O 3.16Å |
| 88 | H | 89.4 | Confident | 87.9 | Confident | 10 Ų | 10 | 59.6 Ų | 59.6 | 5% | 0.046 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 147.5 | 176.2 | -78.3 | -109.6 | 0 | 0 | 0 | 110.2 | Y52 R53 I81 Y83 D214 | Y52-H88 CarbonylContact O-C 3.56Å; Y52-H88 WeakPolarHBondContact O-CA 3.16Å; R53-H88 WeakPolarHBondContact CG-CE1 3.42Å; R53-H88 WeakPolarHBondContact CG-NE2 3.43Å; I81-H88 HydrophobicContact CD1-CB 4.15Å; I81-H88 HydrophobicContact CG1-CB 4.11Å; I81-H88 WeakPolarHBondContact CG1-O 3.46Å; I81-H88 PolarHBondContact N-O 3.35Å; I81-H88 PolarHBondContact O-N 3.43Å; I81-H88 VanDerWaalsContact O-O 3.1Å; Y83-H88 AromaticContact CD1-NE2 3.88Å; H88-D214 IonicContact CE1-OD2 2.74Å; H88-D214 IonicContact ND1-OD2 3.4Å |
| 89 | V | 92.4 | Very high | 87.8 | Confident | 6 Ų | 6 | 55.4 Ų | 55.4 | 4% | 0.036 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 131.1 | 168.3 | -174.7 | 0 | 0 | 0 | 0 | 108.2 | T51 Y52 K54 F78 K79 E80 | T51-V89 WeakPolarHBondContact CA-O 3.11Å; Y52-V89 HydrophobicContact CD1-CB 4.22Å; Y52-V89 HydrophobicContact CD2-CB 4.35Å; Y52-V89 HydrophobicContact CE1-CB 3.66Å; Y52-V89 HydrophobicContact CE1-CG1 3.77Å; Y52-V89 HydrophobicContact CE2-CB 3.77Å; Y52-V89 HydrophobicContact CE2-CG1 4.44Å; Y52-V89 HydrophobicContact CE2-CG2 3.94Å; Y52-V89 VanDerWaalsContact CZ-CB 3.4Å; Y52-V89 PolarHBondContact N-O 3.33Å; Y52-V89 PolarHBondContact O-N 2.89Å; Y52-V89 WeakPolarHBondContact OH-CG1 3.37Å; K54-V89 HydrophobicContact CB-CG2 4.3Å; K54-V89 HydrophobicContact CD-CG2 4.46Å; K54-V89 HydrophobicContact CG-CG2 4.41Å; F78-V89 HydrophobicContact CD1-CG1 4.3Å; K79-V89 WeakPolarHBondContact O-CA 3.4Å; E80-V89 HydrophobicContact CG-CG2 4.34Å |
| 90 | I | 93.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.7 | 176.2 | -67.2 | -176.5 | 0 | 0 | 0 | 108.6 | V49 L50 T51 F78 K79 I81 L92 W630 | V49-I90 HydrophobicContact CG1-CG2 3.66Å; L50-I90 CarbonylContact O-C 3.56Å; L50-I90 WeakPolarHBondContact O-CA 3.39Å; T51-I90 HydrophobicContact CG2-CD1 4.46Å; T51-I90 HydrophobicContact CG2-CG1 3.97Å; F78-I90 CarbonylContact C-O 3.59Å; F78-I90 WeakPolarHBondContact CA-O 3.43Å; K79-I90 HydrophobicContact CB-CB 4.45Å; K79-I90 PolarHBondContact N-O 3.34Å; K79-I90 PolarHBondContact O-N 3.17Å; I81-I90 HydrophobicContact CD1-CD1 3.21Å; I81-I90 HydrophobicContact CD1-CG1 3.74Å; I81-I90 HydrophobicContact CG1-CD1 3.65Å; I81-I90 HydrophobicContact CG1-CG1 3.83Å; I81-I90 HydrophobicContact CG2-CD1 4.42Å; I90-L92 HydrophobicContact CG2-CD2 3.69Å; I90-L92 HydrophobicContact CG2-CG 4.2Å; I90-W630 HydrophobicContact CD1-CE3 3.75Å; I90-W630 HydrophobicContact CD1-CH2 4.13Å; I90-W630 HydrophobicContact CD1-CZ3 3.21Å; I90-W630 HydrophobicContact CG2-CE3 4.36Å; I90-W630 HydrophobicContact CG2-CZ3 4.41Å |
| 91 | V | 94.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 110.7 | 172.5 | -166.6 | 0 | 0 | 0 | 0 | 107.7 | V49 L50 Y52 L76 E77 F78 Y213 | V49-V91 WeakPolarHBondContact CA-O 3.3Å; L50-V91 HydrophobicContact CB-CB 4.11Å; L50-V91 HydrophobicContact CB-CG2 4.42Å; L50-V91 PolarHBondContact N-O 2.99Å; L50-V91 PolarHBondContact O-N 2.62Å; Y52-V91 HydrophobicContact CD1-CG2 4.31Å; Y52-V91 HydrophobicContact CE1-CG2 3.77Å; L76-V91 HydrophobicContact CB-CG1 4.05Å; L76-V91 HydrophobicContact CD2-CG1 4.09Å; L76-V91 HydrophobicContact CG-CG1 4.45Å; E77-V91 CarbonylContact O-C 3.55Å; E77-V91 WeakPolarHBondContact O-CA 3.23Å; F78-V91 HydrophobicContact CD1-CB 4.46Å; F78-V91 HydrophobicContact CD1-CG1 4.27Å; F78-V91 HydrophobicContact CD1-CG2 3.79Å; F78-V91 HydrophobicContact CE1-CB 4.34Å; F78-V91 HydrophobicContact CE1-CG1 3.86Å; F78-V91 HydrophobicContact CE1-CG2 3.64Å; F78-V91 HydrophobicContact CZ-CG1 4.16Å; V91-Y213 HydrophobicContact CG2-CE1 4.44Å |
| 92 | L | 95 | Very high | 87.6 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 124.8 | 172.1 | -52.9 | 176.5 | 0 | 0 | 0 | 108 | I46 V49 L76 E77 K79 I90 W630 | I46-L92 HydrophobicContact CD1-CD1 4.18Å; I46-L92 HydrophobicContact CD1-CD2 4.48Å; I46-L92 HydrophobicContact CG2-CB 4.37Å; I46-L92 HydrophobicContact CG2-CD2 4.28Å; V49-L92 HydrophobicContact CG1-CD2 4.24Å; V49-L92 HydrophobicContact CG2-CD2 3.85Å; L76-L92 WeakPolarHBondContact CA-O 3.33Å; E77-L92 HydrophobicContact CB-CB 4.2Å; E77-L92 PolarHBondContact N-O 2.83Å; E77-L92 PolarHBondContact O-N 2.88Å; E77-L92 WeakPolarHBondContact OE2-CD1 3.38Å; K79-L92 HydrophobicContact CD-CD1 3.98Å; I90-L92 HydrophobicContact CG2-CD2 3.69Å; I90-L92 HydrophobicContact CG2-CG 4.2Å; L92-W630 HydrophobicContact CD2-CB 4.4Å; L92-W630 HydrophobicContact CD2-CD2 4Å; L92-W630 HydrophobicContact CD2-CG 3.94Å |
| 93 | I | 94.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123.8 | -177.3 | -58.6 | -178 | 0 | 0 | 0 | 108.9 | D47 F48 L50 M69 F74 L76 V95 M189 | D47-I93 PolarHBondContact N-O 2.86Å; F48-I93 HydrophobicContact CB-CB 4.13Å; F48-I93 HydrophobicContact CB-CD1 4.07Å; F48-I93 HydrophobicContact CB-CG1 4.43Å; F48-I93 WeakPolarHBondContact O-CB 3.33Å; F48-I93 PolarHBondContact O-N 3.43Å; L50-I93 HydrophobicContact CD1-CD1 3.87Å; L50-I93 HydrophobicContact CD2-CD1 4.37Å; L50-I93 HydrophobicContact CG-CD1 3.83Å; M69-I93 HydrophobicContact SD-CD1 4.07Å; F74-I93 HydrophobicContact CD2-CG2 3.54Å; F74-I93 HydrophobicContact CE2-CG2 4.03Å; F74-I93 HydrophobicContact CG-CG2 4.5Å; L76-I93 HydrophobicContact CD2-CB 4.44Å; L76-I93 HydrophobicContact CD2-CG1 3.87Å; L76-I93 HydrophobicContact CD2-CG2 4.39Å; I93-V95 HydrophobicContact CG2-CG2 3.89Å; I93-M189 HydrophobicContact CD1-SD 3.62Å |
| 94 | H | 93.6 | Very high | 88.4 | Confident | 15 Ų | 15 | 41.6 Ų | 41.6 | 7% | 0.069 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 122.9 | 172.9 | -52.3 | -96 | 0 | 0 | 0 | 109 | L44 T45 I46 H75 E77 | L44-H94 HydrophobicContact CB-CB 4.02Å; L44-H94 HydrophobicContact CD1-CB 4.46Å; L44-H94 PolarHBondContact O-CE1 2.72Å; L44-H94 PolarHBondContact O-ND1 3.43Å; T45-H94 PolarHBondContact O-ND1 3.33Å; I46-H94 WeakPolarHBondContact CG1-CE1 3.02Å; H75-H94 HydrophobicContact CB-CB 4.18Å; H75-H94 PolarHBondContact N-O 3.01Å; H75-H94 PolarHBondContact O-N 2.89Å; E77-H94 IonicContact OE2-NE2 3.48Å |
| 95 | V | 91.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | trans | -109.3 | 124.4 | -179 | -172.4 | 0 | 0 | 0 | 0 | 110.1 | D47 F74 I93 V99 I100 R181 V185 | D47-V95 PolarHBondContact OD2-N 3.34Å; F74-V95 HydrophobicContact CD1-CG1 4.4Å; F74-V95 HydrophobicContact CD1-CG2 4.31Å; F74-V95 HydrophobicContact CD2-CG2 3.82Å; F74-V95 HydrophobicContact CE1-CG1 4.2Å; F74-V95 HydrophobicContact CE1-CG2 4.24Å; F74-V95 HydrophobicContact CE2-CG2 3.74Å; F74-V95 HydrophobicContact CG-CG2 4.08Å; F74-V95 HydrophobicContact CZ-CG2 3.94Å; I93-V95 HydrophobicContact CG2-CG2 3.89Å; V95-V99 HydrophobicContact CG1-CB 3.82Å; V95-V99 HydrophobicContact CG1-CG1 3.87Å; V95-I100 HydrophobicContact CB-CD1 4.1Å; V95-I100 HydrophobicContact CB-CG1 4.26Å; V95-I100 HydrophobicContact CG1-CD1 4.07Å; V95-I100 HydrophobicContact CG1-CG1 3.72Å; V95-R181 PolarHBondContact O-NH2 3.47Å; V95-V185 HydrophobicContact CB-CG2 4.01Å; V95-V185 HydrophobicContact CG1-CG2 4.41Å; V95-V185 HydrophobicContact CG2-CB 4.41Å; V95-V185 HydrophobicContact CG2-CG1 3.81Å; V95-V185 HydrophobicContact CG2-CG2 3.68Å | ||
| 96 | P | 89.9 | Confident | 89.6 | Confident | 30 Ų | 30 | 28.3 Ų | 28.3 | 20% | 0.195 | 14% | 0.137 | C | C | . | . | trans | -60.7 | 146.8 | 174.3 | -24 | 34.5 | 0 | 0 | 0 | 112.3 | G73 H75 E98 V99 I100 | G73-P96 WeakPolarHBondContact O-CD 3.35Å; G73-P96 WeakPolarHBondContact O-CG 3.17Å; H75-P96 WeakPolarHBondContact NE2-CG 3.22Å; P96-E98 PolarHBondContact O-N 3.35Å; P96-E98 VanDerWaalsContact O-N 3.17Å; P96-V99 HydrophobicContact CB-CG2 4.4Å; P96-V99 HydrophobicContact CG-CG2 4.44Å; P96-V99 PolarHBondContact O-N 2.67Å; P96-V99 VanDerWaalsContact O-N 3.1Å; P96-I100 PolarHBondContact O-N 2.87Å | ||
| 97 | D | 83.9 | Confident | 89.7 | Confident | 38 Ų | 38 | 26.4 Ų | 26.4 | 20% | 0.203 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.7 | -32.7 | 179 | -64.1 | -23.3 | 0 | 0 | 0 | 112.4 | V99 I100 L101 S173 R181 | D97-V99 VanDerWaalsContact C-N 3.34Å; D97-V99 PolarHBondContact O-N 2.71Å; D97-I100 PolarHBondContact O-N 2.56Å; D97-L101 WeakPolarHBondContact O-CB 3.08Å; D97-L101 VanDerWaalsContact O-CG 3.32Å; D97-L101 WeakPolarHBondContact O-CG 3.42Å; D97-L101 PolarHBondContact O-N 2.66Å; D97-S173 WeakPolarHBondContact OD2-CA 3.29Å; D97-S173 VanDerWaalsContact OD2-CB 3.24Å; D97-S173 WeakPolarHBondContact OD2-CB 3.32Å; D97-R181 IonicContact OD1-CZ 3.61Å; D97-R181 IonicContact OD1-NH1 2.71Å; D97-R181 PolarHBondContact OD1-NH1 2.8Å |
| 98 | E | 85.6 | Confident | 89.6 | Confident | 155 Ų | 155 | 29.3 Ų | 29.3 | 72% | 0.724 | 13% | 0.133 | S | C | * | . | H | α-helix | trans | -60.4 | -42.5 | 177.9 | -62.5 | -178.7 | 178 | 0 | 0 | 112.3 | P96 R102 | P96-E98 PolarHBondContact O-N 3.35Å; P96-E98 VanDerWaalsContact O-N 3.17Å; E98-R102 WeakPolarHBondContact O-CB 3.43Å; E98-R102 PolarHBondContact O-N 3.2Å; E98-R102 VanDerWaalsContact O-N 3.08Å |
| 99 | V | 89.8 | Confident | 89.5 | Confident | 15 Ų | 15 | 29 Ų | 29 | 9% | 0.091 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.9 | -44.1 | 176.6 | 179.5 | 0 | 0 | 0 | 0 | 109.4 | F74 V95 P96 D97 R102 Y103 I188 | F74-V99 HydrophobicContact CE1-CG1 4.18Å; V95-V99 HydrophobicContact CG1-CB 3.82Å; V95-V99 HydrophobicContact CG1-CG1 3.87Å; P96-V99 HydrophobicContact CB-CG2 4.4Å; P96-V99 HydrophobicContact CG-CG2 4.44Å; P96-V99 PolarHBondContact O-N 2.67Å; P96-V99 VanDerWaalsContact O-N 3.1Å; D97-V99 VanDerWaalsContact C-N 3.34Å; D97-V99 PolarHBondContact O-N 2.71Å; V99-R102 WeakPolarHBondContact O-CB 3.46Å; V99-R102 PolarHBondContact O-N 3.02Å; V99-Y103 HydrophobicContact CG1-CD2 3.95Å; V99-Y103 HydrophobicContact CG1-CE2 3.95Å; V99-Y103 VanDerWaalsContact O-CD2 3.3Å; V99-Y103 WeakPolarHBondContact O-CD2 3.4Å; V99-Y103 PolarHBondContact O-N 3Å; V99-Y103 VanDerWaalsContact O-N 3.1Å; V99-I188 HydrophobicContact CG1-CD1 4.18Å |
| 100 | I | 88.8 | Confident | 89.2 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.7 | -44.9 | -178.8 | -65.2 | 158.5 | 0 | 0 | 0 | 111.3 | V95 P96 D97 R102 Y103 A104 L176 R181 I184 V185 | V95-I100 HydrophobicContact CB-CD1 4.1Å; V95-I100 HydrophobicContact CB-CG1 4.26Å; V95-I100 HydrophobicContact CG1-CD1 4.07Å; V95-I100 HydrophobicContact CG1-CG1 3.72Å; P96-I100 PolarHBondContact O-N 2.87Å; D97-I100 PolarHBondContact O-N 2.56Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-R102 PolarHBondContact O-N 3.21Å; I100-Y103 PolarHBondContact O-N 3.35Å; I100-A104 VanDerWaalsContact O-CB 3.3Å; I100-A104 WeakPolarHBondContact O-CB 3.44Å; I100-A104 PolarHBondContact O-N 2.85Å; I100-L176 HydrophobicContact CG2-CD1 3.56Å; I100-L176 HydrophobicContact CG2-CD2 4.49Å; I100-R181 HydrophobicContact CD1-CG 3.85Å; I100-I184 HydrophobicContact CG2-CB 4.43Å; I100-I184 HydrophobicContact CG2-CD1 3.76Å; I100-I184 HydrophobicContact CG2-CG2 4.1Å; I100-V185 HydrophobicContact CG1-CG2 4.46Å |
| 101 | L | 87.9 | Confident | 88.9 | Confident | 28 Ų | 28 | 29.8 Ų | 29.8 | 15% | 0.147 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.7 | -37 | 178.7 | -71.7 | 172.3 | 0 | 0 | 0 | 112 | D97 A104 E105 L111 Y159 L176 | D97-L101 WeakPolarHBondContact O-CB 3.08Å; D97-L101 VanDerWaalsContact O-CG 3.32Å; D97-L101 WeakPolarHBondContact O-CG 3.42Å; D97-L101 PolarHBondContact O-N 2.66Å; L101-A104 WeakPolarHBondContact O-CB 3.3Å; L101-A104 PolarHBondContact O-N 2.97Å; L101-E105 PolarHBondContact O-N 2.9Å; L101-L111 HydrophobicContact CD2-CD1 4.34Å; L101-Y159 HydrophobicContact CB-CE1 3.81Å; L101-Y159 HydrophobicContact CD2-CD1 4.43Å; L101-Y159 HydrophobicContact CD2-CE1 4Å; L101-Y159 HydrophobicContact CD2-CE2 4.15Å; L101-Y159 HydrophobicContact CG-CE1 4.44Å; L101-Y159 WeakPolarHBondContact O-CD1 3.43Å; L101-Y159 WeakPolarHBondContact O-CE1 3.44Å; L101-L176 HydrophobicContact CD2-CD1 3.86Å; L101-L176 HydrophobicContact CG-CD1 4.49Å |
| 102 | R | 89.3 | Confident | 88.3 | Confident | 38 Ų | 38 | 30.9 Ų | 30.9 | 14% | 0.143 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.2 | -49.2 | 172.6 | 176.9 | 179.4 | -177.9 | -149.3 | 6.3 | 111.9 | L6 Y9 E72 E98 V99 I100 A104 E105 I106 | L6-R102 VanDerWaalsContact CD2-NH2 3.3Å; Y9-R102 HydrophobicContact CD1-CG 3.98Å; Y9-R102 HydrophobicContact CE1-CB 4.05Å; Y9-R102 HydrophobicContact CE1-CG 3.51Å; Y9-R102 HydrophobicContact CE2-CB 4.44Å; Y9-R102 HydrophobicContact CE2-CG 4.3Å; Y9-R102 WeakPolarHBondContact OH-CB 3.32Å; E72-R102 IonicContact OE2-NH1 3.92Å; E98-R102 WeakPolarHBondContact O-CB 3.43Å; E98-R102 PolarHBondContact O-N 3.2Å; E98-R102 VanDerWaalsContact O-N 3.08Å; V99-R102 WeakPolarHBondContact O-CB 3.46Å; V99-R102 PolarHBondContact O-N 3.02Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-R102 PolarHBondContact O-N 3.21Å; R102-A104 VanDerWaalsContact C-N 3.32Å; R102-E105 PolarHBondContact O-N 3.28Å; R102-I106 HydrophobicContact CG-CD1 4.28Å; R102-I106 WeakPolarHBondContact O-CG1 3.27Å; R102-I106 PolarHBondContact O-N 3.1Å; R102-I106 VanDerWaalsContact O-N 3.16Å |
| 103 | Y | 89.5 | Confident | 87.7 | Confident | 13 Ų | 13 | 30.9 Ų | 30.9 | 5% | 0.051 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -71.7 | -28 | 176.9 | -79.4 | -82.9 | 0 | 0 | 0 | 112.7 | E72 V99 I100 E105 I106 W107 I188 | E72-Y103 PolarHBondContact OE2-OH 2.77Å; V99-Y103 HydrophobicContact CG1-CD2 3.95Å; V99-Y103 HydrophobicContact CG1-CE2 3.95Å; V99-Y103 VanDerWaalsContact O-CD2 3.3Å; V99-Y103 WeakPolarHBondContact O-CD2 3.4Å; V99-Y103 PolarHBondContact O-N 3Å; V99-Y103 VanDerWaalsContact O-N 3.1Å; I100-Y103 PolarHBondContact O-N 3.35Å; Y103-E105 VanDerWaalsContact C-N 3.32Å; Y103-I106 HydrophobicContact CD1-CD1 4.26Å; Y103-I106 PolarHBondContact O-N 3.44Å; Y103-W107 AromaticContact CD1-CH2 3.71Å; Y103-W107 HydrophobicContact CD1-CH2 3.71Å; Y103-W107 AromaticContact CD1-CZ2 3.84Å; Y103-W107 HydrophobicContact CD1-CZ2 3.84Å; Y103-W107 HydrophobicContact CD1-CZ3 4.15Å; Y103-W107 HydrophobicContact CE1-CH2 4.35Å; Y103-W107 HydrophobicContact CE1-CZ2 4.33Å; Y103-W107 HydrophobicContact CG-CH2 4.32Å; Y103-W107 HydrophobicContact CG-CZ3 4.37Å; Y103-W107 WeakPolarHBondContact O-CB 3.11Å; Y103-W107 PolarHBondContact O-N 3.1Å; Y103-I188 HydrophobicContact CD1-CD1 4.35Å; Y103-I188 HydrophobicContact CD1-CG1 3.77Å; Y103-I188 HydrophobicContact CD2-CD1 3.26Å; Y103-I188 HydrophobicContact CD2-CG1 3.58Å; Y103-I188 HydrophobicContact CE1-CG1 3.86Å; Y103-I188 HydrophobicContact CE2-CD1 3.58Å; Y103-I188 HydrophobicContact CE2-CG1 3.68Å; Y103-I188 HydrophobicContact CE2-CG2 4.09Å; Y103-I188 HydrophobicContact CG-CD1 3.69Å; Y103-I188 HydrophobicContact CG-CG1 3.62Å |
| 104 | A | 87.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.2 | -39.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I100 L101 R102 R108 V109 Y159 I184 | I100-A104 VanDerWaalsContact O-CB 3.3Å; I100-A104 WeakPolarHBondContact O-CB 3.44Å; I100-A104 PolarHBondContact O-N 2.85Å; L101-A104 WeakPolarHBondContact O-CB 3.3Å; L101-A104 PolarHBondContact O-N 2.97Å; R102-A104 VanDerWaalsContact C-N 3.32Å; A104-R108 WeakPolarHBondContact O-CA 3.37Å; A104-R108 PolarHBondContact O-N 3.08Å; A104-V109 HydrophobicContact CB-CB 4.01Å; A104-V109 HydrophobicContact CB-CG2 4.11Å; A104-V109 PolarHBondContact O-N 3.48Å; A104-Y159 HydrophobicContact CB-CD1 4.35Å; A104-I184 HydrophobicContact CB-CD1 4.06Å |
| 105 | E | 88.1 | Confident | 86 | Confident | 22 Ų | 22 | 35.5 Ų | 35.5 | 10% | 0.103 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.8 | -48.7 | 172.9 | -176.8 | 171.6 | 175.6 | 0 | 0 | 111.5 | Y9 R12 L101 R102 Y103 W107 R108 Y159 S161 | Y9-E105 WeakPolarHBondContact CD2-OE2 3.44Å; Y9-E105 WeakPolarHBondContact CE2-OE2 3.43Å; R12-E105 IonicContact NH1-OE1 2.97Å; L101-E105 PolarHBondContact O-N 2.9Å; R102-E105 PolarHBondContact O-N 3.28Å; Y103-E105 VanDerWaalsContact C-N 3.32Å; E105-W107 VanDerWaalsContact C-N 3.28Å; E105-W107 PolarHBondContact O-N 3.47Å; E105-R108 PolarHBondContact O-N 3.28Å; E105-Y159 HydrophobicContact CB-CD1 4.01Å; E105-S161 PolarHBondContact OE1-OG 2.78Å; E105-S161 WeakPolarHBondContact OE2-CB 3.46Å; E105-S161 PolarHBondContact OE2-N 3Å; E105-S161 PolarHBondContact OE2-OG 2.88Å |
| 106 | I | 86.4 | Confident | 85 | Confident | 41 Ų | 41 | 40.6 Ų | 40.6 | 21% | 0.21 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.4 | -42.4 | 180 | -66.5 | 167.2 | 0 | 0 | 0 | 111.2 | L6 R102 Y103 R108 | L6-I106 HydrophobicContact CD1-CD1 4.32Å; R102-I106 HydrophobicContact CG-CD1 4.28Å; R102-I106 WeakPolarHBondContact O-CG1 3.27Å; R102-I106 PolarHBondContact O-N 3.1Å; R102-I106 VanDerWaalsContact O-N 3.16Å; Y103-I106 HydrophobicContact CD1-CD1 4.26Å; Y103-I106 PolarHBondContact O-N 3.44Å; I106-R108 VanDerWaalsContact C-N 3.34Å |
| 107 | W | 83.9 | Confident | 83.8 | Confident | 48 Ų | 48 | 43.9 Ų | 43.9 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 16.5 | 179.6 | -63.8 | -31.4 | 0 | 0 | 0 | 114.3 | Y103 E105 V109 I184 N187 I188 R697 | Y103-W107 AromaticContact CD1-CH2 3.71Å; Y103-W107 HydrophobicContact CD1-CH2 3.71Å; Y103-W107 AromaticContact CD1-CZ2 3.84Å; Y103-W107 HydrophobicContact CD1-CZ2 3.84Å; Y103-W107 HydrophobicContact CD1-CZ3 4.15Å; Y103-W107 HydrophobicContact CE1-CH2 4.35Å; Y103-W107 HydrophobicContact CE1-CZ2 4.33Å; Y103-W107 HydrophobicContact CG-CH2 4.32Å; Y103-W107 HydrophobicContact CG-CZ3 4.37Å; Y103-W107 WeakPolarHBondContact O-CB 3.11Å; Y103-W107 PolarHBondContact O-N 3.1Å; E105-W107 VanDerWaalsContact C-N 3.28Å; E105-W107 PolarHBondContact O-N 3.47Å; W107-V109 HydrophobicContact CB-CG2 4.43Å; W107-V109 PolarHBondContact O-N 3.27Å; W107-V109 VanDerWaalsContact O-N 3.09Å; W107-I184 HydrophobicContact CE3-CG1 4.3Å; W107-I184 HydrophobicContact CE3-CG2 4.34Å; W107-I184 HydrophobicContact CZ3-CB 4.16Å; W107-I184 HydrophobicContact CZ3-CG1 4.4Å; W107-I184 HydrophobicContact CZ3-CG2 3.82Å; W107-I184 WeakPolarHBondContact CZ3-O 3.48Å; W107-N187 HydrophobicContact CE3-CB 4.19Å; W107-N187 VanDerWaalsContact CH2-C 3.48Å; W107-N187 HydrophobicContact CH2-CB 3.13Å; W107-N187 HydrophobicContact CZ2-CB 3.71Å; W107-N187 HydrophobicContact CZ3-CB 3.39Å; W107-I188 HydrophobicContact CH2-CB 4.49Å; W107-I188 HydrophobicContact CH2-CG1 3.74Å; W107-I188 HydrophobicContact CZ3-CG1 4.17Å; W107-R697 PolarHBondContact O-NH1 3.07Å |
| 108 | R | 87.4 | Confident | 82.9 | Confident | 154 Ų | 154 | 49 Ų | 49 | 58% | 0.581 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 40.9 | 174.4 | -60.3 | -172.4 | 70.3 | -168.5 | 0.9 | 113.4 | A104 E105 I106 K110 P158 | A104-R108 WeakPolarHBondContact O-CA 3.37Å; A104-R108 PolarHBondContact O-N 3.08Å; E105-R108 PolarHBondContact O-N 3.28Å; I106-R108 VanDerWaalsContact C-N 3.34Å; R108-K110 PolarHBondContact O-N 3.39Å; R108-P158 HydrophobicContact CB-CB 4.03Å; R108-P158 HydrophobicContact CB-CG 4.44Å |
| 109 | V | 86.4 | Confident | 81.9 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | trans | -63.2 | 124.3 | 179.3 | 178.2 | 0 | 0 | 0 | 0 | 108.6 | A104 W107 L111 Y159 L176 I184 R697 | A104-V109 HydrophobicContact CB-CB 4.01Å; A104-V109 HydrophobicContact CB-CG2 4.11Å; A104-V109 PolarHBondContact O-N 3.48Å; W107-V109 HydrophobicContact CB-CG2 4.43Å; W107-V109 PolarHBondContact O-N 3.27Å; W107-V109 VanDerWaalsContact O-N 3.09Å; V109-L111 HydrophobicContact CG1-CD2 4.38Å; V109-L111 PolarHBondContact O-N 2.92Å; V109-Y159 PolarHBondContact O-N 2.63Å; V109-L176 HydrophobicContact CG1-CD2 4.39Å; V109-I184 HydrophobicContact CG2-CD1 4.12Å; V109-I184 HydrophobicContact CG2-CG1 4.36Å; V109-R697 VanDerWaalsContact CG2-NH1 3.34Å | ||
| 110 | K | 86.9 | Confident | 80.5 | Confident | 24 Ų | 24 | 44.6 Ų | 44.6 | 10% | 0.104 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 125.9 | 177.7 | -56.9 | -169 | -175.2 | 177.4 | 0 | 111.2 | R108 L156 W157 P158 D401 D402 | R108-K110 PolarHBondContact O-N 3.39Å; K110-L156 HydrophobicContact CB-CB 4.14Å; K110-W157 CarbonylContact C-O 3.54Å; K110-W157 VanDerWaalsContact CA-O 3.27Å; K110-W157 WeakPolarHBondContact CA-O 3.49Å; K110-P158 HydrophobicContact CG-CG 4.16Å; K110-D401 IonicContact NZ-OD1 2.69Å; K110-D401 PolarHBondContact NZ-OD1 3.06Å; K110-D401 IonicContact NZ-OD2 2.8Å; K110-D401 PolarHBondContact NZ-OD2 3.38Å; K110-D401 VanDerWaalsContact NZ-OD2 3.16Å; K110-D402 VanDerWaalsContact CE-OD1 3.24Å; K110-D402 WeakPolarHBondContact CE-OD1 3.24Å; K110-D402 WeakPolarHBondContact CE-OD2 3.4Å; K110-D402 IonicContact NZ-OD1 3.07Å; K110-D402 IonicContact NZ-OD2 2.7Å |
| 111 | L | 85.5 | Confident | 79 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 155.9 | 176.5 | -67.1 | -175.5 | 0 | 0 | 0 | 110.2 | L101 V109 V113 W157 Y159 Y167 L176 | L101-L111 HydrophobicContact CD2-CD1 4.34Å; V109-L111 HydrophobicContact CG1-CD2 4.38Å; V109-L111 PolarHBondContact O-N 2.92Å; L111-V113 PolarHBondContact O-N 3.39Å; L111-W157 PolarHBondContact N-O 3.26Å; L111-W157 PolarHBondContact O-N 3.4Å; L111-Y159 HydrophobicContact CD1-CD2 3.61Å; L111-Y159 HydrophobicContact CD1-CE2 4.39Å; L111-Y159 HydrophobicContact CD1-CG 3.81Å; L111-Y167 HydrophobicContact CB-CD1 3.65Å; L111-Y167 HydrophobicContact CB-CE1 4.06Å; L111-L176 HydrophobicContact CD2-CD2 3.88Å; L111-L176 HydrophobicContact CD2-CG 3.99Å |
| 112 | P | 83 | Confident | 77.3 | Confident | 23 Ų | 23 | 51.4 Ų | 51.4 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 124.6 | 178.9 | 29.2 | -36 | 0 | 0 | 0 | 111.5 | H154 F155 L156 Y167 V168 | P112-H154 HydrophobicContact CB-CB 4.2Å; P112-H154 WeakPolarHBondContact CB-CD2 3.07Å; P112-F155 CarbonylContact C-O 3.39Å; P112-F155 WeakPolarHBondContact CA-O 3.33Å; P112-L156 HydrophobicContact CB-CD2 4.2Å; P112-Y167 CarbonylContact O-C 3.58Å; P112-Y167 VanDerWaalsContact O-CA 3.32Å; P112-Y167 WeakPolarHBondContact O-CA 3.48Å; P112-V168 HydrophobicContact CB-CB 4.41Å; P112-V168 HydrophobicContact CB-CG2 3.83Å; P112-V168 HydrophobicContact CG-CB 4.01Å; P112-V168 HydrophobicContact CG-CG2 3.99Å; P112-V168 PolarHBondContact O-N 3.34Å |
| 113 | V | 82.2 | Confident | 75.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 126.1 | 173.5 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | L111 H154 F155 W157 R166 Y167 V842 | L111-V113 PolarHBondContact O-N 3.39Å; V113-H154 CarbonylContact O-C 3.58Å; V113-H154 WeakPolarHBondContact O-CA 3.48Å; V113-H154 WeakPolarHBondContact O-CB 3.48Å; V113-F155 HydrophobicContact CB-CD1 4.06Å; V113-F155 HydrophobicContact CB-CD2 4.44Å; V113-F155 HydrophobicContact CB-CE1 3.69Å; V113-F155 HydrophobicContact CB-CE2 4.12Å; V113-F155 HydrophobicContact CB-CG 4.44Å; V113-F155 HydrophobicContact CB-CZ 3.73Å; V113-F155 HydrophobicContact CG1-CD1 4.4Å; V113-F155 HydrophobicContact CG1-CE1 3.59Å; V113-F155 HydrophobicContact CG1-CE2 4.47Å; V113-F155 HydrophobicContact CG1-CZ 3.64Å; V113-F155 HydrophobicContact CG2-CE2 4.21Å; V113-F155 HydrophobicContact CG2-CZ 4.18Å; V113-F155 PolarHBondContact N-O 2.92Å; V113-F155 PolarHBondContact O-N 3.19Å; V113-W157 HydrophobicContact CG2-CB 3.84Å; V113-R166 HydrophobicContact CG1-CB 4.31Å; V113-Y167 HydrophobicContact CG2-CD1 3.61Å; V113-Y167 HydrophobicContact CG2-CE1 3.36Å; V113-Y167 HydrophobicContact CG2-CG 4.37Å; V113-V842 HydrophobicContact CG1-CG1 4.01Å |
| 114 | L | 78.1 | Confident | 73.6 | Confident | 87 Ų | 87 | 66 Ų | 66 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 135.2 | 178.3 | -72.4 | 168.8 | 0 | 0 | 0 | 110.5 | R166 V168 | L114-R166 PolarHBondContact N-O 2.96Å; L114-V168 HydrophobicContact CD2-CG2 3.65Å; L114-V168 HydrophobicContact CG-CG2 3.71Å |
| 115 | L | 74.8 | Confident | 71.7 | Confident | 24 Ų | 24 | 72.6 Ų | 72.6 | 13% | 0.126 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -93.9 | 130.2 | 170.7 | -75.6 | 158.5 | 0 | 0 | 0 | 109.3 | F119 L120 N153 F155 L838 | L115-F119 HydrophobicContact CD2-CB 3.94Å; L115-F119 HydrophobicContact CD2-CD2 4.21Å; L115-F119 HydrophobicContact CD2-CG 4.35Å; L115-L120 HydrophobicContact CB-CD2 4.48Å; L115-N153 PolarHBondContact N-O 2.68Å; L115-F155 HydrophobicContact CD1-CD1 4.14Å; L115-F155 HydrophobicContact CD2-CD1 3.65Å; L115-F155 HydrophobicContact CD2-CE1 3.88Å; L115-F155 HydrophobicContact CG-CD1 3.74Å; L115-F155 HydrophobicContact CG-CE1 4.29Å; L115-L838 HydrophobicContact CD2-CD1 3.93Å; L115-L838 HydrophobicContact CD2-CD2 4.14Å; L115-L838 HydrophobicContact CD2-CG 4.46Å |
| 116 | E | 69.7 | Low | 69.9 | Low | 109 Ų | 109 | 76.6 Ų | 76.6 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 147.9 | 165.4 | -66.6 | -176.6 | -139.6 | 0 | 0 | 109.8 | Y118 F119 | E116-Y118 HydrophobicContact CB-CD1 3.51Å; E116-Y118 HydrophobicContact CB-CE1 3.36Å; E116-Y118 HydrophobicContact CG-CE1 4.12Å; E116-Y118 PolarHBondContact O-N 3.35Å; E116-Y118 VanDerWaalsContact O-N 3.07Å; E116-Y118 VanDerWaalsContact OE2-CE1 3.24Å; E116-Y118 WeakPolarHBondContact OE2-CE1 3.17Å; E116-F119 HydrophobicContact CB-CD2 4.46Å; E116-F119 PolarHBondContact O-N 3.37Å |
| 117 | S | 65.1 | Low | 68.6 | Low | 100 Ų | 100 | 81.3 Ų | 81.3 | 70% | 0.699 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -56.4 | -30 | -171 | 50.8 | 0 | 0 | 0 | 0 | 113.7 | F119 L120 | S117-F119 PolarHBondContact O-N 2.79Å; S117-L120 WeakPolarHBondContact O-CB 3.33Å; S117-L120 PolarHBondContact O-N 3.33Å; S117-L120 VanDerWaalsContact O-N 3.16Å |
| 118 | Y | 64.1 | Low | 67.5 | Low | 144 Ų | 144 | 84.2 Ų | 84.2 | 57% | 0.565 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -68.3 | -17.6 | -179.5 | 73.2 | -96.3 | 0 | 0 | 0 | 114.3 | E116 | E116-Y118 HydrophobicContact CB-CD1 3.51Å; E116-Y118 HydrophobicContact CB-CE1 3.36Å; E116-Y118 HydrophobicContact CG-CE1 4.12Å; E116-Y118 PolarHBondContact O-N 3.35Å; E116-Y118 VanDerWaalsContact O-N 3.07Å; E116-Y118 VanDerWaalsContact OE2-CE1 3.24Å; E116-Y118 WeakPolarHBondContact OE2-CE1 3.17Å |
| 119 | F | 64.8 | Low | 65.8 | Low | 28 Ų | 28 | 82 Ų | 82 | 12% | 0.123 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -89.8 | -9.2 | 175.3 | -71.6 | -62.8 | 0 | 0 | 0 | 113.6 | L115 E116 S117 R834 L838 K841 V842 | L115-F119 HydrophobicContact CD2-CB 3.94Å; L115-F119 HydrophobicContact CD2-CD2 4.21Å; L115-F119 HydrophobicContact CD2-CG 4.35Å; E116-F119 HydrophobicContact CB-CD2 4.46Å; E116-F119 PolarHBondContact O-N 3.37Å; S117-F119 PolarHBondContact O-N 2.79Å; F119-R834 PolarHBondContact O-NH2 3.04Å; F119-L838 HydrophobicContact CB-CD2 3.98Å; F119-L838 HydrophobicContact CD1-CD2 3.37Å; F119-L838 HydrophobicContact CD2-CD2 4.33Å; F119-L838 HydrophobicContact CE1-CD2 3.76Å; F119-L838 HydrophobicContact CG-CD2 3.68Å; F119-L838 HydrophobicContact CZ-CD2 4.35Å; F119-K841 HydrophobicContact CE1-CB 4.34Å; F119-K841 HydrophobicContact CZ-CB 3.85Å; F119-V842 HydrophobicContact CD2-CG2 4.5Å; F119-V842 HydrophobicContact CE2-CG2 3.7Å; F119-V842 HydrophobicContact CZ-CG2 4.21Å |
| 120 | L | 61.2 | Low | 64.3 | Low | 50 Ų | 50 | 87.5 Ų | 87.5 | 26% | 0.262 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -74.3 | 134.3 | 178.1 | -61.9 | 172.9 | 0 | 0 | 0 | 108.8 | L115 S117 S122 N153 | L115-L120 HydrophobicContact CB-CD2 4.48Å; S117-L120 WeakPolarHBondContact O-CB 3.33Å; S117-L120 PolarHBondContact O-N 3.33Å; S117-L120 VanDerWaalsContact O-N 3.16Å; L120-S122 PolarHBondContact O-N 3.03Å; L120-N153 VanDerWaalsContact CD1-OD1 3.31Å; L120-N153 WeakPolarHBondContact CD1-OD1 3.36Å; L120-N153 HydrophobicContact CD2-CB 4.39Å; L120-N153 WeakPolarHBondContact CD2-OD1 3.47Å |
| 121 | P | 56.7 | Low | 62.8 | Low | 79 Ų | 79 | 91.2 Ų | 91.2 | 51% | 0.513 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -60 | 131 | 174.6 | 17.7 | -16.4 | 0 | 0 | 0 | 109 | H123 | P121-H123 PolarHBondContact O-N 3.17Š|
| 122 | S | 51.9 | Low | 61.4 | Low | 93 Ų | 93 | 95.8 Ų | 95.8 | 65% | 0.65 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 131.7 | 166.4 | 47.1 | 0 | 0 | 0 | 0 | 108 | L120 E124 | L120-S122 PolarHBondContact O-N 3.03Å; S122-E124 PolarHBondContact O-N 2.66Å |
| 123 | H | 52.3 | Low | 60 | Low | 201 Ų | 201 | 101.9 Ų | 101.9 | 93% | 0.931 | 52% | 0.518 | S | S | * | . | trans | -64.7 | 84.2 | 179.3 | -114.1 | -78.8 | 0 | 0 | 0 | 109.4 | P121 | P121-H123 PolarHBondContact O-N 3.17Š| ||
| 124 | E | 49 | Very low | 58.5 | Low | 158 Ų | 158 | 104.1 Ų | 104.1 | 74% | 0.738 | 53% | 0.534 | S | S | * | . | trans | -74.7 | 132.3 | 166.6 | -74.2 | -178.5 | 169.4 | 0 | 0 | 108.3 | S122 K126 | S122-E124 PolarHBondContact O-N 2.66Å; E124-K126 PolarHBondContact O-N 2.89Å | ||
| 125 | T | 47.8 | Very low | 57.2 | Low | 138 Ų | 138 | 103.4 Ų | 103.4 | 85% | 0.847 | 53% | 0.533 | S | S | * | . | trans | -59.9 | 107.3 | 173.5 | 41.1 | 0 | 0 | 0 | 0 | 108.9 | E127 | T125-E127 PolarHBondContact O-N 3.47Š| ||
| 126 | K | 51.8 | Low | 56 | Low | 106 Ų | 106 | 106.2 Ų | 106.2 | 46% | 0.461 | 55% | 0.547 | S | S | . | . | trans | -55.8 | 131.7 | 175.8 | -68.6 | -174.1 | 178.2 | -174.5 | 0 | 110.2 | E124 E130 Q131 | E124-K126 PolarHBondContact O-N 2.89Å; K126-E130 HydrophobicContact CB-CB 4.41Å; K126-Q131 HydrophobicContact CB-CG 3.91Å; K126-Q131 PolarHBondContact O-NE2 3.37Å | ||
| 127 | E | 57.8 | Low | 55 | Low | 140 Ų | 140 | 105.3 Ų | 105.3 | 65% | 0.654 | 54% | 0.543 | S | S | * | . | trans | -54.3 | 147.2 | 172.8 | -69.8 | -166.2 | 165.7 | 0 | 0 | 111.1 | T125 M129 E130 Q131 | T125-E127 PolarHBondContact O-N 3.47Å; E127-M129 PolarHBondContact O-N 2.81Å; E127-M129 VanDerWaalsContact O-N 3.11Å; E127-E130 PolarHBondContact O-N 3.16Å; E127-Q131 PolarHBondContact O-N 2.73Å | ||
| 128 | P | 60.2 | Low | 54.1 | Low | 108 Ų | 108 | 100.9 Ų | 100.9 | 70% | 0.701 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -57.5 | -30.7 | -176.4 | 19 | -30.4 | 0 | 0 | 0 | 113.1 | Q131 L132 | P128-Q131 PolarHBondContact O-N 3.48Å; P128-L132 WeakPolarHBondContact O-CB 3.45Å; P128-L132 PolarHBondContact O-N 3.4Å |
| 129 | M | 51.9 | Low | 53.3 | Low | 108 Ų | 108 | 100 Ų | 100 | 53% | 0.532 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 174.3 | -88.2 | -66 | -73.3 | 0 | 0 | 112.7 | E127 Q131 L132 Y133 | E127-M129 PolarHBondContact O-N 2.81Å; E127-M129 VanDerWaalsContact O-N 3.11Å; M129-Q131 VanDerWaalsContact C-N 3.32Å; M129-L132 PolarHBondContact O-N 3.04Å; M129-L132 HydrophobicContact SD-CD2 4.41Å; M129-Y133 HydrophobicContact CE-CD2 4.08Å; M129-Y133 HydrophobicContact CE-CE2 3.66Å; M129-Y133 WeakPolarHBondContact O-CB 3.19Å; M129-Y133 WeakPolarHBondContact O-CD2 3.24Å; M129-Y133 PolarHBondContact O-N 2.85Å |
| 130 | E | 55.1 | Low | 52.3 | Low | 117 Ų | 117 | 103.7 Ų | 103.7 | 55% | 0.547 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68 | -34.4 | 174.4 | -69.6 | -157.1 | 151.6 | 0 | 0 | 112 | K126 E127 S134 | K126-E130 HydrophobicContact CB-CB 4.41Å; E127-E130 PolarHBondContact O-N 3.16Å; E130-S134 VanDerWaalsContact O-CB 3.24Å; E130-S134 WeakPolarHBondContact O-CB 3.4Å; E130-S134 PolarHBondContact O-N 3Å; E130-S134 PolarHBondContact O-OG 3.35Å |
| 131 | Q | 55.9 | Low | 51.6 | Low | 103 Ų | 103 | 105.3 Ų | 105.3 | 48% | 0.481 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.3 | -48.1 | 172.4 | -67.2 | -175.8 | 12.7 | 0 | 0 | 110.9 | K126 E127 P128 M129 Y133 S134 V135 | K126-Q131 HydrophobicContact CB-CG 3.91Å; K126-Q131 PolarHBondContact O-NE2 3.37Å; E127-Q131 PolarHBondContact O-N 2.73Å; P128-Q131 PolarHBondContact O-N 3.48Å; M129-Q131 VanDerWaalsContact C-N 3.32Å; Q131-Y133 PolarHBondContact O-N 3.35Å; Q131-S134 WeakPolarHBondContact CA-OG 3.33Å; Q131-S134 CarbonylContact O-C 3.58Å; Q131-S134 PolarHBondContact O-N 2.66Å; Q131-S134 VanDerWaalsContact O-N 3.16Å; Q131-S134 PolarHBondContact O-OG 3.21Å; Q131-V135 WeakPolarHBondContact O-CB 3.29Å; Q131-V135 VanDerWaalsContact O-CG2 3.25Å; Q131-V135 WeakPolarHBondContact O-CG2 3.25Å; Q131-V135 PolarHBondContact O-N 2.88Å |
| 132 | L | 56.4 | Low | 51.2 | Low | 95 Ų | 95 | 102.6 Ų | 102.6 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 177.1 | -176.7 | 64.8 | 0 | 0 | 0 | 111.5 | P128 M129 S134 V135 I136 | P128-L132 WeakPolarHBondContact O-CB 3.45Å; P128-L132 PolarHBondContact O-N 3.4Å; M129-L132 PolarHBondContact O-N 3.04Å; M129-L132 HydrophobicContact SD-CD2 4.41Å; L132-S134 VanDerWaalsContact C-N 3.34Å; L132-S134 PolarHBondContact O-N 3.21Å; L132-V135 PolarHBondContact O-N 3.47Å; L132-I136 HydrophobicContact CD1-CD1 4.09Å; L132-I136 HydrophobicContact CD1-CG1 4.38Å; L132-I136 HydrophobicContact CG-CD1 3.87Å; L132-I136 VanDerWaalsContact O-CG1 3.29Å; L132-I136 WeakPolarHBondContact O-CG1 3.44Å; L132-I136 PolarHBondContact O-N 3.33Å |
| 133 | Y | 53.7 | Low | 50.8 | Low | 152 Ų | 152 | 99.8 Ų | 99.8 | 60% | 0.596 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.7 | -45.9 | 173.5 | -98.1 | -75.9 | 0 | 0 | 0 | 111.3 | M129 Q131 V135 I136 H137 | M129-Y133 HydrophobicContact CE-CD2 4.08Å; M129-Y133 HydrophobicContact CE-CE2 3.66Å; M129-Y133 WeakPolarHBondContact O-CB 3.19Å; M129-Y133 WeakPolarHBondContact O-CD2 3.24Å; M129-Y133 PolarHBondContact O-N 2.85Å; Q131-Y133 PolarHBondContact O-N 3.35Å; Y133-V135 VanDerWaalsContact C-N 3.31Å; Y133-V135 PolarHBondContact O-N 3.48Å; Y133-I136 PolarHBondContact O-N 3.04Å; Y133-H137 VanDerWaalsContact O-CB 3.29Å; Y133-H137 WeakPolarHBondContact O-CB 3.4Å; Y133-H137 PolarHBondContact O-N 2.9Å |
| 134 | S | 50.3 | Low | 50.5 | Low | 46 Ų | 46 | 92 Ų | 92 | 32% | 0.322 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.7 | -35.6 | 177.8 | 78 | 0 | 0 | 0 | 0 | 112.4 | E130 Q131 L132 A138 | E130-S134 VanDerWaalsContact O-CB 3.24Å; E130-S134 WeakPolarHBondContact O-CB 3.4Å; E130-S134 PolarHBondContact O-N 3Å; E130-S134 PolarHBondContact O-OG 3.35Å; Q131-S134 WeakPolarHBondContact CA-OG 3.33Å; Q131-S134 CarbonylContact O-C 3.58Å; Q131-S134 PolarHBondContact O-N 2.66Å; Q131-S134 VanDerWaalsContact O-N 3.16Å; Q131-S134 PolarHBondContact O-OG 3.21Å; L132-S134 VanDerWaalsContact C-N 3.34Å; L132-S134 PolarHBondContact O-N 3.21Å; S134-A138 WeakPolarHBondContact O-CA 3.48Å; S134-A138 WeakPolarHBondContact O-CB 3.49Å; S134-A138 PolarHBondContact O-N 3.11Å |
| 135 | V | 51.1 | Low | 50 | Low | 72 Ų | 72 | 87.9 Ų | 87.9 | 44% | 0.436 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69.7 | -47.4 | 177.3 | 169.9 | 0 | 0 | 0 | 0 | 110.5 | Q131 L132 Y133 A138 H139 | Q131-V135 WeakPolarHBondContact O-CB 3.29Å; Q131-V135 VanDerWaalsContact O-CG2 3.25Å; Q131-V135 WeakPolarHBondContact O-CG2 3.25Å; Q131-V135 PolarHBondContact O-N 2.88Å; L132-V135 PolarHBondContact O-N 3.47Å; Y133-V135 VanDerWaalsContact C-N 3.31Å; Y133-V135 PolarHBondContact O-N 3.48Å; V135-A138 PolarHBondContact O-N 3.21Å; V135-H139 VanDerWaalsContact O-CB 3.25Å; V135-H139 WeakPolarHBondContact O-CB 3.27Å; V135-H139 PolarHBondContact O-N 3.23Å; V135-H139 PolarHBondContact O-ND1 2.95Å |
| 136 | I | 48.4 | Very low | 50 | Low | 83 Ų | 83 | 85.6 Ų | 85.6 | 43% | 0.426 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 176.8 | -66.5 | 168.7 | 0 | 0 | 0 | 110.1 | L132 Y133 V140 | L132-I136 HydrophobicContact CD1-CD1 4.09Å; L132-I136 HydrophobicContact CD1-CG1 4.38Å; L132-I136 HydrophobicContact CG-CD1 3.87Å; L132-I136 VanDerWaalsContact O-CG1 3.29Å; L132-I136 WeakPolarHBondContact O-CG1 3.44Å; L132-I136 PolarHBondContact O-N 3.33Å; Y133-I136 PolarHBondContact O-N 3.04Å; I136-V140 WeakPolarHBondContact O-CB 3.35Å; I136-V140 PolarHBondContact O-N 2.72Å |
| 137 | H | 48.8 | Very low | 49.9 | Very low | 91 Ų | 91 | 83.6 Ų | 83.6 | 42% | 0.421 | 42% | 0.42 | S | S | . | . | I | π-helix | trans | -59.4 | -51.5 | 175.3 | -122.3 | -77.8 | 0 | 0 | 0 | 110.5 | Y133 H139 F142 | Y133-H137 VanDerWaalsContact O-CB 3.29Å; Y133-H137 WeakPolarHBondContact O-CB 3.4Å; Y133-H137 PolarHBondContact O-N 2.9Å; H137-H139 PolarHBondContact O-N 2.96Å; H137-F142 CarbonylContact C-O 3.58Å; H137-F142 AromaticContact CE1-CD2 3.58Å; H137-F142 AromaticContact ND1-CD2 3.71Å; H137-F142 CarbonylContact O-C 3.45Å; H137-F142 WeakPolarHBondContact O-CA 3.43Å; H137-F142 PolarHBondContact O-N 3.5Å |
| 138 | A | 46.8 | Very low | 49.4 | Very low | 6 Ų | 6 | 80.4 Ų | 80.4 | 5% | 0.05 | 40% | 0.404 | C | S | . | . | I | π-helix | trans | -69.3 | -31.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S134 V135 N145 | S134-A138 WeakPolarHBondContact O-CA 3.48Å; S134-A138 WeakPolarHBondContact O-CB 3.49Å; S134-A138 PolarHBondContact O-N 3.11Å; V135-A138 PolarHBondContact O-N 3.21Å; A138-N145 WeakPolarHBondContact CB-OD1 3.3Å |
| 139 | H | 48 | Very low | 48.8 | Very low | 126 Ų | 126 | 76.8 Ų | 76.8 | 58% | 0.583 | 38% | 0.381 | S | S | * | . | I | π-helix | trans | -101.4 | -31 | -171.5 | -69.8 | 71.1 | 0 | 0 | 0 | 113.7 | V135 H137 | V135-H139 VanDerWaalsContact O-CB 3.25Å; V135-H139 WeakPolarHBondContact O-CB 3.27Å; V135-H139 PolarHBondContact O-N 3.23Å; V135-H139 PolarHBondContact O-ND1 2.95Å; H137-H139 PolarHBondContact O-N 2.96Å |
| 140 | V | 43.6 | Very low | 48.5 | Very low | 106 Ų | 106 | 74.7 Ų | 74.7 | 64% | 0.642 | 37% | 0.373 | S | S | * | . | I | π-helix | trans | -108.1 | -38 | -165.2 | -172.1 | 0 | 0 | 0 | 0 | 113.2 | I136 | I136-V140 WeakPolarHBondContact O-CB 3.35Å; I136-V140 PolarHBondContact O-N 2.72Å |
| 141 | L | 45.4 | Very low | 48.3 | Very low | 84 Ų | 84 | 77.7 Ų | 77.7 | 44% | 0.44 | 38% | 0.379 | S | S | . | . | I | π-helix | trans | -127.3 | -34.8 | -172.3 | -74.9 | 157.3 | 0 | 0 | 0 | 114.3 | ||
| 142 | F | 49.6 | Very low | 48.3 | Very low | 21 Ų | 21 | 76.5 Ų | 76.5 | 9% | 0.092 | 38% | 0.376 | C | S | . | . | trans | -143.4 | 96.4 | -173.3 | -60.1 | -82.9 | 0 | 0 | 0 | 111.4 | H137 D144 F292 F386 | H137-F142 CarbonylContact C-O 3.58Å; H137-F142 AromaticContact CE1-CD2 3.58Å; H137-F142 AromaticContact ND1-CD2 3.71Å; H137-F142 CarbonylContact O-C 3.45Å; H137-F142 WeakPolarHBondContact O-CA 3.43Å; H137-F142 PolarHBondContact O-N 3.5Å; F142-D144 PolarHBondContact O-N 2.8Å; F142-F292 HydrophobicContact CE1-CE2 4.24Å; F142-F386 HydrophobicContact CE1-CB 3.7Å; F142-F386 HydrophobicContact CE1-CD1 4.47Å; F142-F386 HydrophobicContact CE1-CD2 4.04Å; F142-F386 AromaticContact CE1-CG 3.89Å; F142-F386 HydrophobicContact CE1-CG 3.89Å; F142-F386 AromaticContact CE2-CD2 3.95Å; F142-F386 HydrophobicContact CE2-CD2 3.95Å; F142-F386 HydrophobicContact CE2-CE1 4.43Å; F142-F386 AromaticContact CE2-CE2 3.82Å; F142-F386 HydrophobicContact CE2-CE2 3.82Å; F142-F386 HydrophobicContact CE2-CG 4.31Å; F142-F386 HydrophobicContact CE2-CZ 4.07Å; F142-F386 HydrophobicContact CZ-CB 3.66Å; F142-F386 AromaticContact CZ-CD1 3.66Å; F142-F386 HydrophobicContact CZ-CD1 3.66Å; F142-F386 AromaticContact CZ-CD2 3.24Å; F142-F386 HydrophobicContact CZ-CD2 3.24Å; F142-F386 AromaticContact CZ-CE1 3.96Å; F142-F386 HydrophobicContact CZ-CE1 3.96Å; F142-F386 AromaticContact CZ-CE2 3.58Å; F142-F386 HydrophobicContact CZ-CE2 3.58Å; F142-F386 AromaticContact CZ-CG 3.28Å; F142-F386 HydrophobicContact CZ-CG 3.28Å; F142-F386 AromaticContact CZ-CZ 3.92Å; F142-F386 HydrophobicContact CZ-CZ 3.92Å | ||
| 143 | N | 43.2 | Very low | 48.8 | Very low | 35 Ų | 35 | 75.6 Ų | 75.6 | 19% | 0.187 | 37% | 0.371 | C | S | . | . | trans | -71.9 | 72 | 179.4 | -174.3 | 57.2 | 0 | 0 | 0 | 111.9 | K269 | N143-K269 PolarHBondContact OD1-NZ 2.98Š| ||
| 144 | D | 46.8 | Very low | 49.9 | Very low | 36 Ų | 36 | 69.4 Ų | 69.4 | 19% | 0.193 | 35% | 0.348 | C | S | . | . | trans | -108.3 | 41.3 | 175.3 | -76.2 | 4.9 | 0 | 0 | 0 | 111.1 | F142 W146 S393 | F142-D144 PolarHBondContact O-N 2.8Å; D144-W146 PolarHBondContact O-N 2.92Å; D144-S393 PolarHBondContact OD2-OG 2.74Å; D144-S393 VanDerWaalsContact OD2-OG 3.11Å | ||
| 145 | N | 38.3 | Very low | 51.3 | Low | 72 Ų | 72 | 67.7 Ų | 67.7 | 39% | 0.385 | 34% | 0.335 | S | S | . | . | trans | -70 | 19.9 | 163.3 | -86.8 | -4.4 | 0 | 0 | 0 | 112.9 | A138 | A138-N145 WeakPolarHBondContact CB-OD1 3.3Š| ||
| 146 | W | 47.8 | Very low | 52.9 | Low | 91 Ų | 91 | 65.4 Ų | 65.4 | 35% | 0.345 | 32% | 0.32 | S | S | . | . | trans | -103.2 | 55.3 | -176.2 | -59.2 | 103.1 | 0 | 0 | 0 | 111.9 | D144 F148 H273 | D144-W146 PolarHBondContact O-N 2.92Å; W146-F148 PolarHBondContact O-N 3.12Å; W146-H273 AromaticContact CH2-ND1 3.57Å; W146-H273 AromaticContact CZ3-ND1 3.7Å | ||
| 147 | H | 49 | Very low | 54.8 | Low | 64 Ų | 64 | 64.2 Ų | 64.2 | 30% | 0.296 | 31% | 0.31 | S | S | . | . | trans | -72.2 | 58.1 | 165.9 | -56.6 | -40.8 | 0 | 0 | 0 | 111.7 | S149 D150 R151 R831 | H147-S149 VanDerWaalsContact C-N 3.31Å; H147-S149 PolarHBondContact O-N 2.78Å; H147-D150 HydrophobicContact CB-CB 4.42Å; H147-D150 PolarHBondContact O-N 2.87Å; H147-R151 PolarHBondContact O-N 3.19Å; H147-R151 VanDerWaalsContact O-N 3.1Å; H147-R831 PolarHBondContact ND1-NH2 2.66Å | ||
| 148 | F | 47.3 | Very low | 56.7 | Low | 73 Ų | 73 | 60.2 Ų | 60.2 | 32% | 0.32 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.4 | -28.4 | -173 | -152.1 | -88.3 | 0 | 0 | 0 | 112.9 | W146 N152 | W146-F148 PolarHBondContact O-N 3.12Å; F148-N152 WeakPolarHBondContact CE1-ND2 3.49Å; F148-N152 WeakPolarHBondContact CZ-ND2 3.19Å; F148-N152 WeakPolarHBondContact O-CB 3.4Å |
| 149 | S | 48.3 | Very low | 58.6 | Low | 31 Ų | 31 | 60.9 Ų | 60.9 | 22% | 0.217 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.3 | -44.9 | 175.2 | 66.9 | 0 | 0 | 0 | 0 | 111.8 | H147 N152 N153 H154 | H147-S149 VanDerWaalsContact C-N 3.31Å; H147-S149 PolarHBondContact O-N 2.78Å; S149-N152 PolarHBondContact O-N 2.95Å; S149-N153 PolarHBondContact O-N 2.85Å; S149-H154 CarbonylContact C-O 3.2Å; S149-H154 WeakPolarHBondContact CA-O 3.45Å; S149-H154 VanDerWaalsContact CB-O 3.29Å; S149-H154 WeakPolarHBondContact CB-O 3.48Å; S149-H154 PolarHBondContact O-N 3.45Å; S149-H154 VanDerWaalsContact O-O 3.1Å |
| 150 | D | 44.7 | Very low | 60.5 | Low | 65 Ų | 65 | 57.1 Ų | 57.1 | 35% | 0.348 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -76 | -31.8 | -174.2 | -63.3 | -14.4 | 0 | 0 | 0 | 111.9 | H147 N152 R831 | H147-D150 HydrophobicContact CB-CB 4.42Å; H147-D150 PolarHBondContact O-N 2.87Å; D150-N152 VanDerWaalsContact C-N 3.29Å; D150-N152 PolarHBondContact O-N 3.27Å; D150-R831 IonicContact OD2-CZ 2.63Å; D150-R831 IonicContact OD2-NH1 3.86Å; D150-R831 IonicContact OD2-NH2 2.87Å; D150-R831 PolarHBondContact OD2-NH2 3.19Å |
| 151 | R | 50.9 | Low | 62.3 | Low | 179 Ų | 179 | 53.2 Ų | 53.2 | 68% | 0.675 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -71.6 | -23.9 | 176.4 | -74.2 | -171 | -168.7 | -165.1 | 3.5 | 113.7 | H147 | H147-R151 PolarHBondContact O-N 3.19Å; H147-R151 VanDerWaalsContact O-N 3.1Å |
| 152 | N | 56.2 | Low | 64.2 | Low | 78 Ų | 78 | 53.6 Ų | 53.6 | 42% | 0.417 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | 23.9 | -169.7 | -69.5 | 6.2 | 0 | 0 | 0 | 112.5 | F148 S149 D150 H154 | F148-N152 WeakPolarHBondContact CE1-ND2 3.49Å; F148-N152 WeakPolarHBondContact CZ-ND2 3.19Å; F148-N152 WeakPolarHBondContact O-CB 3.4Å; S149-N152 PolarHBondContact O-N 2.95Å; D150-N152 VanDerWaalsContact C-N 3.29Å; D150-N152 PolarHBondContact O-N 3.27Å; N152-H154 WeakPolarHBondContact CB-CE1 3.35Å; N152-H154 VanDerWaalsContact CB-ND1 3.26Å; N152-H154 WeakPolarHBondContact CB-ND1 3.38Å; N152-H154 PolarHBondContact O-N 2.82Å; N152-H154 PolarHBondContact O-ND1 3.28Å |
| 153 | N | 67.1 | Low | 65.7 | Low | 76 Ų | 76 | 54.4 Ų | 54.4 | 41% | 0.406 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 39.8 | 172.9 | -59 | -15.4 | 0 | 0 | 0 | 114.2 | L115 L120 S149 | L115-N153 PolarHBondContact N-O 2.68Å; L120-N153 VanDerWaalsContact CD1-OD1 3.31Å; L120-N153 WeakPolarHBondContact CD1-OD1 3.36Å; L120-N153 HydrophobicContact CD2-CB 4.39Å; L120-N153 WeakPolarHBondContact CD2-OD1 3.47Å; S149-N153 PolarHBondContact O-N 2.85Å |
| 154 | H | 75.7 | Confident | 67.4 | Low | 23 Ų | 23 | 55.2 Ų | 55.2 | 11% | 0.106 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 153.5 | 178.5 | 69.4 | -83.3 | 0 | 0 | 0 | 112.8 | P112 V113 S149 N152 | P112-H154 HydrophobicContact CB-CB 4.2Å; P112-H154 WeakPolarHBondContact CB-CD2 3.07Å; V113-H154 CarbonylContact O-C 3.58Å; V113-H154 WeakPolarHBondContact O-CA 3.48Å; V113-H154 WeakPolarHBondContact O-CB 3.48Å; S149-H154 CarbonylContact C-O 3.2Å; S149-H154 WeakPolarHBondContact CA-O 3.45Å; S149-H154 VanDerWaalsContact CB-O 3.29Å; S149-H154 WeakPolarHBondContact CB-O 3.48Å; S149-H154 PolarHBondContact O-N 3.45Å; S149-H154 VanDerWaalsContact O-O 3.1Å; N152-H154 WeakPolarHBondContact CB-CE1 3.35Å; N152-H154 VanDerWaalsContact CB-ND1 3.26Å; N152-H154 WeakPolarHBondContact CB-ND1 3.38Å; N152-H154 PolarHBondContact O-N 2.82Å; N152-H154 PolarHBondContact O-ND1 3.28Å |
| 155 | F | 81.3 | Confident | 68.8 | Low | 9 Ų | 9 | 59.2 Ų | 59.2 | 4% | 0.039 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 159.4 | 167.6 | 67.9 | -82 | 0 | 0 | 0 | 110.9 | P112 V113 L115 W157 T835 L838 A839 V842 | P112-F155 CarbonylContact C-O 3.39Å; P112-F155 WeakPolarHBondContact CA-O 3.33Å; V113-F155 HydrophobicContact CB-CD1 4.06Å; V113-F155 HydrophobicContact CB-CD2 4.44Å; V113-F155 HydrophobicContact CB-CE1 3.69Å; V113-F155 HydrophobicContact CB-CE2 4.12Å; V113-F155 HydrophobicContact CB-CG 4.44Å; V113-F155 HydrophobicContact CB-CZ 3.73Å; V113-F155 HydrophobicContact CG1-CD1 4.4Å; V113-F155 HydrophobicContact CG1-CE1 3.59Å; V113-F155 HydrophobicContact CG1-CE2 4.47Å; V113-F155 HydrophobicContact CG1-CZ 3.64Å; V113-F155 HydrophobicContact CG2-CE2 4.21Å; V113-F155 HydrophobicContact CG2-CZ 4.18Å; V113-F155 PolarHBondContact N-O 2.92Å; V113-F155 PolarHBondContact O-N 3.19Å; L115-F155 HydrophobicContact CD1-CD1 4.14Å; L115-F155 HydrophobicContact CD2-CD1 3.65Å; L115-F155 HydrophobicContact CD2-CE1 3.88Å; L115-F155 HydrophobicContact CG-CD1 3.74Å; L115-F155 HydrophobicContact CG-CE1 4.29Å; F155-W157 HydrophobicContact CD2-CB 4.07Å; F155-W157 HydrophobicContact CE2-CB 3.71Å; F155-W157 HydrophobicContact CE2-CD2 4.4Å; F155-W157 HydrophobicContact CE2-CE3 4.39Å; F155-W157 HydrophobicContact CE2-CG 4.16Å; F155-T835 HydrophobicContact CB-CG2 4.37Å; F155-T835 HydrophobicContact CD2-CG2 3.71Å; F155-T835 HydrophobicContact CG-CG2 4.43Å; F155-L838 HydrophobicContact CE1-CB 4.35Å; F155-L838 HydrophobicContact CZ-CB 4.44Å; F155-A839 HydrophobicContact CE2-CB 4.01Å; F155-A839 HydrophobicContact CZ-CB 4.48Å; F155-V842 HydrophobicContact CE1-CG2 4.47Å; F155-V842 HydrophobicContact CZ-CB 4.41Å |
| 156 | L | 84.4 | Confident | 70.7 | Confident | 25 Ų | 25 | 60.1 Ų | 60.1 | 13% | 0.131 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 126.2 | 177.5 | -65.7 | 177.1 | 0 | 0 | 0 | 110.5 | K110 P112 E397 | K110-L156 HydrophobicContact CB-CB 4.14Å; P112-L156 HydrophobicContact CB-CD2 4.2Å; L156-E397 WeakPolarHBondContact CD1-O 3.46Å |
| 157 | W | 87.6 | Confident | 72.2 | Confident | 57 Ų | 57 | 56 Ų | 56 | 22% | 0.216 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 148 | 176.3 | -161.7 | -105 | 0 | 0 | 0 | 111.6 | K110 L111 V113 F155 Y159 T835 K836 A839 L843 | K110-W157 CarbonylContact C-O 3.54Å; K110-W157 VanDerWaalsContact CA-O 3.27Å; K110-W157 WeakPolarHBondContact CA-O 3.49Å; L111-W157 PolarHBondContact N-O 3.26Å; L111-W157 PolarHBondContact O-N 3.4Å; V113-W157 HydrophobicContact CG2-CB 3.84Å; F155-W157 HydrophobicContact CD2-CB 4.07Å; F155-W157 HydrophobicContact CE2-CB 3.71Å; F155-W157 HydrophobicContact CE2-CD2 4.4Å; F155-W157 HydrophobicContact CE2-CE3 4.39Å; F155-W157 HydrophobicContact CE2-CG 4.16Å; W157-Y159 PolarHBondContact O-N 3.49Å; W157-T835 HydrophobicContact CE3-CG2 3.83Å; W157-T835 HydrophobicContact CZ3-CG2 4.04Å; W157-K836 HydrophobicContact CH2-CB 4.49Å; W157-K836 HydrophobicContact CH2-CG 4.12Å; W157-K836 HydrophobicContact CZ3-CG 4.2Å; W157-A839 HydrophobicContact CD2-CB 3.41Å; W157-A839 VanDerWaalsContact CD2-CB 3.41Å; W157-A839 HydrophobicContact CE3-CB 3.53Å; W157-A839 HydrophobicContact CG-CB 4.14Å; W157-A839 HydrophobicContact CH2-CB 3.5Å; W157-A839 VanDerWaalsContact CH2-CB 3.5Å; W157-A839 HydrophobicContact CZ2-CB 3.4Å; W157-A839 HydrophobicContact CZ3-CB 3.57Å; W157-L843 HydrophobicContact CB-CD1 4.35Å; W157-L843 HydrophobicContact CG-CD1 3.78Å |
| 158 | P | 88.3 | Confident | 73.1 | Confident | 7 Ų | 7 | 55.7 Ų | 55.7 | 5% | 0.045 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -48.9 | 132.5 | 174.7 | -31.1 | 38.2 | 0 | 0 | 0 | 111.7 | R108 K110 L160 Y167 | R108-P158 HydrophobicContact CB-CB 4.03Å; R108-P158 HydrophobicContact CB-CG 4.44Å; K110-P158 HydrophobicContact CG-CG 4.16Å; P158-L160 PolarHBondContact O-N 2.8Å; P158-Y167 PolarHBondContact O-OH 2.97Å |
| 159 | Y | 87.1 | Confident | 73.4 | Confident | 20 Ų | 20 | 53.8 Ų | 53.8 | 8% | 0.078 | 27% | 0.267 | C | S | . | . | trans | -63.1 | 132.2 | -179.9 | 179.7 | -110.6 | 0 | 0 | 0 | 111.5 | L101 A104 E105 V109 L111 W157 Y167 | L101-Y159 HydrophobicContact CB-CE1 3.81Å; L101-Y159 HydrophobicContact CD2-CD1 4.43Å; L101-Y159 HydrophobicContact CD2-CE1 4Å; L101-Y159 HydrophobicContact CD2-CE2 4.15Å; L101-Y159 HydrophobicContact CG-CE1 4.44Å; L101-Y159 WeakPolarHBondContact O-CD1 3.43Å; L101-Y159 WeakPolarHBondContact O-CE1 3.44Å; A104-Y159 HydrophobicContact CB-CD1 4.35Å; E105-Y159 HydrophobicContact CB-CD1 4.01Å; V109-Y159 PolarHBondContact O-N 2.63Å; L111-Y159 HydrophobicContact CD1-CD2 3.61Å; L111-Y159 HydrophobicContact CD1-CE2 4.39Å; L111-Y159 HydrophobicContact CD1-CG 3.81Å; W157-Y159 PolarHBondContact O-N 3.49Å; Y159-Y167 HydrophobicContact CD2-CD1 4.23Å; Y159-Y167 AromaticContact CD2-CD2 3.99Å; Y159-Y167 HydrophobicContact CD2-CD2 3.99Å; Y159-Y167 HydrophobicContact CD2-CE1 4.24Å; Y159-Y167 HydrophobicContact CD2-CE2 4.05Å; Y159-Y167 HydrophobicContact CD2-CG 4.11Å; Y159-Y167 HydrophobicContact CE2-CD2 4.14Å; Y159-Y167 HydrophobicContact CE2-CE2 4.46Å; Y159-Y167 HydrophobicContact CE2-CG 4.43Å | ||
| 160 | L | 87.2 | Confident | 73.4 | Confident | 48 Ų | 48 | 60.7 Ų | 60.7 | 25% | 0.251 | 30% | 0.301 | S | S | . | . | trans | -125.9 | 121.3 | 175.4 | -66 | 170.6 | 0 | 0 | 0 | 108 | P158 E162 H163 Y167 L843 | P158-L160 PolarHBondContact O-N 2.8Å; L160-E162 PolarHBondContact O-N 3.4Å; L160-H163 PolarHBondContact O-N 2.92Å; L160-Y167 PolarHBondContact N-OH 3.32Å; L160-L843 HydrophobicContact CD1-CD1 4.37Å | ||
| 161 | S | 83.1 | Confident | 73.6 | Confident | 23 Ų | 23 | 59.5 Ų | 59.5 | 16% | 0.161 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -60.9 | -29 | 179.1 | 49.9 | 0 | 0 | 0 | 0 | 113.2 | E105 H163 S164 | E105-S161 PolarHBondContact OE1-OG 2.78Å; E105-S161 WeakPolarHBondContact OE2-CB 3.46Å; E105-S161 PolarHBondContact OE2-N 3Å; E105-S161 PolarHBondContact OE2-OG 2.88Å; S161-H163 PolarHBondContact O-N 2.81Å; S161-S164 PolarHBondContact O-N 3.44Å |
| 162 | E | 83.5 | Confident | 73.6 | Confident | 92 Ų | 92 | 58.2 Ų | 58.2 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -63.6 | -23.8 | 178.5 | -65.9 | 179.2 | 175.9 | 0 | 0 | 113.7 | R12 L160 | R12-E162 VanDerWaalsContact CD-OE1 3.24Å; R12-E162 WeakPolarHBondContact CD-OE1 3.49Å; R12-E162 WeakPolarHBondContact CG-OE1 3.39Å; R12-E162 IonicContact NE-OE1 2.61Å; L160-E162 PolarHBondContact O-N 3.4Å |
| 163 | H | 82.3 | Confident | 73.2 | Confident | 38 Ų | 38 | 57.2 Ų | 57.2 | 18% | 0.176 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -122.2 | 29.4 | -177.7 | -61.9 | -54.2 | 0 | 0 | 0 | 112.6 | L160 S161 E165 R166 Y167 L843 | L160-H163 PolarHBondContact O-N 2.92Å; S161-H163 PolarHBondContact O-N 2.81Å; H163-E165 VanDerWaalsContact C-OE2 3.24Å; H163-E165 WeakPolarHBondContact CA-OE1 3.49Å; H163-E165 IonicContact ND1-OE1 3.6Å; H163-E165 PolarHBondContact O-N 3.46Å; H163-R166 PolarHBondContact O-N 2.96Å; H163-Y167 HydrophobicContact CB-CE2 4.3Å; H163-Y167 WeakPolarHBondContact O-CD2 3.4Å; H163-Y167 WeakPolarHBondContact O-CE2 3.5Å; H163-L843 HydrophobicContact CB-CD2 3.56Å; H163-L843 PolarHBondContact NE2-O 3.39Å; H163-L843 VanDerWaalsContact NE2-O 3.1Å |
| 164 | S | 78.3 | Confident | 72.7 | Confident | 52 Ų | 52 | 57.5 Ų | 57.5 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -52.4 | -30 | -174 | 66.4 | 0 | 0 | 0 | 0 | 114 | S161 R166 | S161-S164 PolarHBondContact O-N 3.44Å; S164-R166 VanDerWaalsContact C-N 3.34Å; S164-R166 PolarHBondContact O-N 2.86Å |
| 165 | E | 77.3 | Confident | 71.5 | Confident | 121 Ų | 121 | 57.3 Ų | 57.3 | 57% | 0.565 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -69.3 | -23 | 178.8 | 69.2 | -70.2 | 162.7 | 0 | 0 | 114.6 | H163 | H163-E165 VanDerWaalsContact C-OE2 3.24Å; H163-E165 WeakPolarHBondContact CA-OE1 3.49Å; H163-E165 IonicContact ND1-OE1 3.6Å; H163-E165 PolarHBondContact O-N 3.46Å |
| 166 | R | 78.5 | Confident | 70.8 | Confident | 91 Ų | 91 | 57.9 Ų | 57.9 | 34% | 0.343 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -88.6 | -19.6 | -179.8 | -58.9 | -165.5 | -173.1 | -147 | 10 | 113.4 | V113 L114 H163 S164 V842 | V113-R166 HydrophobicContact CG1-CB 4.31Å; L114-R166 PolarHBondContact N-O 2.96Å; H163-R166 PolarHBondContact O-N 2.96Å; S164-R166 VanDerWaalsContact C-N 3.34Å; S164-R166 PolarHBondContact O-N 2.86Å; R166-V842 WeakPolarHBondContact CD-O 3.36Å; R166-V842 PolarHBondContact NE-O 2.88Å; R166-V842 PolarHBondContact NH1-O 2.93Å |
| 167 | Y | 79 | Confident | 70.3 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 1% | 0.012 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -71 | 154.5 | 171.9 | -65 | -91.9 | 0 | 0 | 0 | 108.9 | L111 P112 V113 P158 Y159 L160 H163 A169 | L111-Y167 HydrophobicContact CB-CD1 3.65Å; L111-Y167 HydrophobicContact CB-CE1 4.06Å; P112-Y167 CarbonylContact O-C 3.58Å; P112-Y167 VanDerWaalsContact O-CA 3.32Å; P112-Y167 WeakPolarHBondContact O-CA 3.48Å; V113-Y167 HydrophobicContact CG2-CD1 3.61Å; V113-Y167 HydrophobicContact CG2-CE1 3.36Å; V113-Y167 HydrophobicContact CG2-CG 4.37Å; P158-Y167 PolarHBondContact O-OH 2.97Å; Y159-Y167 HydrophobicContact CD2-CD1 4.23Å; Y159-Y167 AromaticContact CD2-CD2 3.99Å; Y159-Y167 HydrophobicContact CD2-CD2 3.99Å; Y159-Y167 HydrophobicContact CD2-CE1 4.24Å; Y159-Y167 HydrophobicContact CD2-CE2 4.05Å; Y159-Y167 HydrophobicContact CD2-CG 4.11Å; Y159-Y167 HydrophobicContact CE2-CD2 4.14Å; Y159-Y167 HydrophobicContact CE2-CE2 4.46Å; Y159-Y167 HydrophobicContact CE2-CG 4.43Å; L160-Y167 PolarHBondContact N-OH 3.32Å; H163-Y167 HydrophobicContact CB-CE2 4.3Å; H163-Y167 WeakPolarHBondContact O-CD2 3.4Å; H163-Y167 WeakPolarHBondContact O-CE2 3.5Å; Y167-A169 WeakPolarHBondContact O-CB 3.43Å; Y167-A169 PolarHBondContact O-N 2.84Å |
| 168 | V | 68 | Low | 70 | Confident | 58 Ų | 58 | 58.8 Ų | 58.8 | 35% | 0.352 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -66.7 | 75.5 | 174.2 | -173.9 | 0 | 0 | 0 | 0 | 108.5 | P112 L114 C175 | P112-V168 HydrophobicContact CB-CB 4.41Å; P112-V168 HydrophobicContact CB-CG2 3.83Å; P112-V168 HydrophobicContact CG-CB 4.01Å; P112-V168 HydrophobicContact CG-CG2 3.99Å; P112-V168 PolarHBondContact O-N 3.34Å; L114-V168 HydrophobicContact CD2-CG2 3.65Å; L114-V168 HydrophobicContact CG-CG2 3.71Å; V168-C175 WeakPolarHBondContact O-CB 3.32Å; V168-C175 PolarHBondContact O-SG 3.38Å; V168-C175 VanDerWaalsContact O-SG 3.36Å |
| 169 | A | 53.4 | Low | 69.9 | Low | 33 Ų | 33 | 58.7 Ų | 58.7 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | trans | -127.9 | 22.1 | -164.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y167 S171 | Y167-A169 WeakPolarHBondContact O-CB 3.43Å; Y167-A169 PolarHBondContact O-N 2.84Å; A169-S171 PolarHBondContact O-N 2.82Å | ||
| 170 | N | 47.3 | Very low | 69.9 | Low | 176 Ų | 176 | 58.4 Ų | 58.4 | 94% | 0.941 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -66.7 | -1.5 | 173.9 | -84.2 | -3.9 | 0 | 0 | 0 | 114 | ||
| 171 | S | 48.3 | Very low | 70 | Confident | 40 Ų | 40 | 57.5 Ų | 57.5 | 28% | 0.28 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -141 | 117.4 | 154.4 | 108.1 | 0 | 0 | 0 | 0 | 108.9 | A169 S173 S174 | A169-S171 PolarHBondContact O-N 2.82Å; S171-S173 PolarHBondContact O-N 3.16Å; S171-S174 PolarHBondContact O-N 3.27Å; S171-S174 VanDerWaalsContact O-N 3.07Å; S171-S174 PolarHBondContact O-OG 2.71Å; S171-S174 VanDerWaalsContact OG-CB 3.28Å; S171-S174 WeakPolarHBondContact OG-CB 3.49Å; S171-S174 PolarHBondContact OG-OG 3.14Å |
| 172 | K | 52 | Low | 70.4 | Confident | 153 Ų | 153 | 56.9 Ų | 56.9 | 67% | 0.665 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -14.8 | -171.2 | -71 | -179.4 | 175.3 | -179.5 | 0 | 115.5 | ||
| 173 | S | 48.3 | Very low | 70.7 | Confident | 57 Ų | 57 | 52.7 Ų | 52.7 | 40% | 0.399 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -12.8 | -179.6 | 54.2 | 0 | 0 | 0 | 0 | 114.8 | D97 S171 | D97-S173 WeakPolarHBondContact OD2-CA 3.29Å; D97-S173 VanDerWaalsContact OD2-CB 3.24Å; D97-S173 WeakPolarHBondContact OD2-CB 3.32Å; S171-S173 PolarHBondContact O-N 3.16Å |
| 174 | S | 55.3 | Low | 71.1 | Confident | 82 Ų | 82 | 51 Ų | 51 | 57% | 0.573 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -6 | -174.1 | 70 | 0 | 0 | 0 | 0 | 115 | S171 | S171-S174 PolarHBondContact O-N 3.27Å; S171-S174 VanDerWaalsContact O-N 3.07Å; S171-S174 PolarHBondContact O-OG 2.71Å; S171-S174 VanDerWaalsContact OG-CB 3.28Å; S171-S174 WeakPolarHBondContact OG-CB 3.49Å; S171-S174 PolarHBondContact OG-OG 3.14Å |
| 175 | C | 52.1 | Low | 71.8 | Confident | 18 Ų | 18 | 48.5 Ų | 48.5 | 12% | 0.122 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -78.6 | -31.7 | -171.8 | -172.3 | 0 | 0 | 0 | 0 | 113.2 | V168 | V168-C175 WeakPolarHBondContact O-CB 3.32Å; V168-C175 PolarHBondContact O-SG 3.38Å; V168-C175 VanDerWaalsContact O-SG 3.36Å |
| 176 | L | 65.1 | Low | 72.5 | Confident | 21 Ų | 21 | 44.1 Ų | 44.1 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -91.2 | 129.9 | -179.8 | -79.6 | 138.4 | 0 | 0 | 0 | 111.1 | I100 L101 V109 L111 Q180 I184 | I100-L176 HydrophobicContact CG2-CD1 3.56Å; I100-L176 HydrophobicContact CG2-CD2 4.49Å; L101-L176 HydrophobicContact CD2-CD1 3.86Å; L101-L176 HydrophobicContact CG-CD1 4.49Å; V109-L176 HydrophobicContact CG1-CD2 4.39Å; L111-L176 HydrophobicContact CD2-CD2 3.88Å; L111-L176 HydrophobicContact CD2-CG 3.99Å; L176-Q180 HydrophobicContact CD2-CB 4.23Å; L176-I184 HydrophobicContact CD2-CD1 3.77Å |
| 177 | R | 75.4 | Confident | 72.9 | Confident | 37 Ų | 37 | 41.8 Ų | 41.8 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | trans | -61.5 | 144.9 | 172.9 | -58.2 | 166.5 | -178.1 | 171.5 | -1.1 | 108.9 | A179 Q180 R181 Y276 R277 W398 | R177-A179 VanDerWaalsContact C-N 3.27Å; R177-A179 PolarHBondContact O-N 3.3Å; R177-Q180 HydrophobicContact CB-CB 4.31Å; R177-Q180 HydrophobicContact CB-CG 4.08Å; R177-Q180 WeakPolarHBondContact O-CA 2.95Å; R177-Q180 WeakPolarHBondContact O-CB 3.47Å; R177-Q180 PolarHBondContact O-N 2.95Å; R177-R181 PolarHBondContact O-N 3.25Å; R177-Y276 PolarHBondContact NH1-OH 2.93Å; R177-Y276 PolarHBondContact NH2-OH 3.38Å; R177-R277 HydrophobicContact CG-CG 4.31Å; R177-W398 PolarHBondContact NH1-O 3.44Å | ||
| 178 | E | 80.3 | Confident | 73.5 | Confident | 65 Ų | 65 | 41.6 Ų | 41.6 | 30% | 0.304 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -53.5 | -45.8 | -176.1 | -71.3 | 70.9 | -155.9 | 0 | 0 | 112.2 | Q180 R181 Q182 K238 | E178-Q180 VanDerWaalsContact C-N 3.32Å; E178-Q180 PolarHBondContact O-N 3.39Å; E178-R181 PolarHBondContact O-N 2.86Å; E178-Q182 WeakPolarHBondContact O-CG 3.26Å; E178-Q182 PolarHBondContact O-N 3.31Å; E178-K238 IonicContact OE1-NZ 2.71Å; E178-K238 PolarHBondContact OE1-NZ 3.05Å; E178-K238 IonicContact OE2-NZ 3.57Å; E178-K238 PolarHBondContact OE2-NZ 3.36Å |
| 179 | A | 86.1 | Confident | 74.6 | Confident | 5 Ų | 5 | 38.9 Ų | 38.9 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.8 | -37.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R177 A183 R277 P695 | R177-A179 VanDerWaalsContact C-N 3.27Å; R177-A179 PolarHBondContact O-N 3.3Å; A179-A183 VanDerWaalsContact O-CB 3.28Å; A179-A183 WeakPolarHBondContact O-CB 3.35Å; A179-A183 PolarHBondContact O-N 3.44Å; A179-R277 WeakPolarHBondContact CB-O 3.41Å; A179-R277 PolarHBondContact N-O 3.23Å; A179-P695 HydrophobicContact CB-CB 3.84Å; A179-P695 HydrophobicContact CB-CG 3.99Å; A179-P695 VanDerWaalsContact O-CB 3.31Å; A179-P695 WeakPolarHBondContact O-CB 3.43Å |
| 180 | Q | 87.6 | Confident | 76.2 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.6 | -43.2 | 177.5 | -71.2 | 175.5 | -43.6 | 0 | 0 | 111.1 | L176 R177 E178 A183 I184 | L176-Q180 HydrophobicContact CD2-CB 4.23Å; R177-Q180 HydrophobicContact CB-CB 4.31Å; R177-Q180 HydrophobicContact CB-CG 4.08Å; R177-Q180 WeakPolarHBondContact O-CA 2.95Å; R177-Q180 WeakPolarHBondContact O-CB 3.47Å; R177-Q180 PolarHBondContact O-N 2.95Å; E178-Q180 VanDerWaalsContact C-N 3.32Å; E178-Q180 PolarHBondContact O-N 3.39Å; Q180-A183 PolarHBondContact O-N 3.08Å; Q180-I184 VanDerWaalsContact O-CG1 3.27Å; Q180-I184 WeakPolarHBondContact O-CG1 3.41Å; Q180-I184 PolarHBondContact O-N 3.36Å |
| 181 | R | 89.6 | Confident | 78 | Confident | 29 Ų | 29 | 31.8 Ų | 31.8 | 11% | 0.109 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.4 | -50.7 | 175 | 175.3 | 173.1 | 176.9 | 105.9 | 10.3 | 111.1 | D47 V95 D97 I100 R177 E178 A183 I184 V185 | D47-R181 IonicContact OD1-CZ 3.76Å; D47-R181 IonicContact OD1-NE 3.35Å; D47-R181 PolarHBondContact OD1-NE 2.96Å; D47-R181 IonicContact OD1-NH2 3.82Å; D47-R181 PolarHBondContact OD1-NH2 3.06Å; D47-R181 IonicContact OD2-CZ 2.82Å; D47-R181 IonicContact OD2-NE 2.8Å; D47-R181 IonicContact OD2-NH2 3.48Å; D47-R181 PolarHBondContact OD2-NH2 2.86Å; V95-R181 PolarHBondContact O-NH2 3.47Å; D97-R181 IonicContact OD1-CZ 3.61Å; D97-R181 IonicContact OD1-NH1 2.71Å; D97-R181 PolarHBondContact OD1-NH1 2.8Å; I100-R181 HydrophobicContact CD1-CG 3.85Å; R177-R181 PolarHBondContact O-N 3.25Å; E178-R181 PolarHBondContact O-N 2.86Å; R181-A183 PolarHBondContact O-N 3.18Å; R181-I184 WeakPolarHBondContact O-CB 3.35Å; R181-I184 PolarHBondContact O-N 3.3Å; R181-V185 WeakPolarHBondContact O-CG2 3.09Å; R181-V185 PolarHBondContact O-N 3.01Å |
| 182 | Q | 91.3 | Very high | 79.9 | Confident | 11 Ų | 11 | 30 Ų | 30 | 5% | 0.051 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.6 | -39 | 178.8 | -70.7 | 173.8 | -12 | 0 | 0 | 112.7 | F48 E178 I184 V185 W186 P218 P695 | F48-Q182 HydrophobicContact CE2-CB 4.03Å; F48-Q182 HydrophobicContact CE2-CG 4.39Å; F48-Q182 VanDerWaalsContact CE2-O 3.31Å; F48-Q182 WeakPolarHBondContact CE2-O 3.47Å; F48-Q182 HydrophobicContact CZ-CB 4.48Å; E178-Q182 WeakPolarHBondContact O-CG 3.26Å; E178-Q182 PolarHBondContact O-N 3.31Å; Q182-I184 VanDerWaalsContact C-N 3.3Å; Q182-I184 PolarHBondContact O-N 2.98Å; Q182-V185 PolarHBondContact O-N 3.45Å; Q182-W186 WeakPolarHBondContact O-CB 3.15Å; Q182-W186 PolarHBondContact O-N 3.01Å; Q182-P218 HydrophobicContact CG-CB 4.18Å; Q182-P695 HydrophobicContact CB-CG 4Å |
| 183 | A | 89.8 | Confident | 81.6 | Confident | 3 Ų | 3 | 24.6 Ų | 24.6 | 3% | 0.025 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60 | -41.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | A179 Q180 R181 N187 P695 | A179-A183 VanDerWaalsContact O-CB 3.28Å; A179-A183 WeakPolarHBondContact O-CB 3.35Å; A179-A183 PolarHBondContact O-N 3.44Å; Q180-A183 PolarHBondContact O-N 3.08Å; R181-A183 PolarHBondContact O-N 3.18Å; A183-N187 WeakPolarHBondContact O-CB 3.31Å; A183-N187 PolarHBondContact O-N 2.91Å; A183-N187 PolarHBondContact O-ND2 3.3Å; A183-P695 HydrophobicContact CB-CB 4.32Å; A183-P695 VanDerWaalsContact CB-O 3.23Å; A183-P695 WeakPolarHBondContact CB-O 3.36Å |
| 184 | I | 90.3 | Very high | 83.4 | Confident | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.3 | -51.8 | 176.8 | -68.8 | 164.1 | 0 | 0 | 0 | 109.8 | I100 A104 W107 V109 L176 Q180 R181 Q182 W186 N187 I188 | I100-I184 HydrophobicContact CG2-CB 4.43Å; I100-I184 HydrophobicContact CG2-CD1 3.76Å; I100-I184 HydrophobicContact CG2-CG2 4.1Å; A104-I184 HydrophobicContact CB-CD1 4.06Å; W107-I184 HydrophobicContact CE3-CG1 4.3Å; W107-I184 HydrophobicContact CE3-CG2 4.34Å; W107-I184 HydrophobicContact CZ3-CB 4.16Å; W107-I184 HydrophobicContact CZ3-CG1 4.4Å; W107-I184 HydrophobicContact CZ3-CG2 3.82Å; W107-I184 WeakPolarHBondContact CZ3-O 3.48Å; V109-I184 HydrophobicContact CG2-CD1 4.12Å; V109-I184 HydrophobicContact CG2-CG1 4.36Å; L176-I184 HydrophobicContact CD2-CD1 3.77Å; Q180-I184 VanDerWaalsContact O-CG1 3.27Å; Q180-I184 WeakPolarHBondContact O-CG1 3.41Å; Q180-I184 PolarHBondContact O-N 3.36Å; R181-I184 WeakPolarHBondContact O-CB 3.35Å; R181-I184 PolarHBondContact O-N 3.3Å; Q182-I184 VanDerWaalsContact C-N 3.3Å; Q182-I184 PolarHBondContact O-N 2.98Å; I184-W186 VanDerWaalsContact C-N 3.31Å; I184-W186 PolarHBondContact O-N 3.33Å; I184-N187 PolarHBondContact O-N 3.02Å; I184-N187 VanDerWaalsContact O-N 3.17Å; I184-I188 HydrophobicContact CG2-CD1 3.98Å; I184-I188 HydrophobicContact CG2-CG1 4.45Å; I184-I188 VanDerWaalsContact O-CG1 3.32Å; I184-I188 WeakPolarHBondContact O-CG1 3.41Å; I184-I188 PolarHBondContact O-N 2.91Å |
| 185 | V | 92.9 | Very high | 84.7 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -57.8 | -43.7 | -179.6 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | D47 F48 F74 V95 I100 R181 Q182 I188 M189 | D47-V185 HydrophobicContact CB-CG1 4.36Å; D47-V185 HydrophobicContact CB-CG2 4.22Å; F48-V185 HydrophobicContact CD2-CB 4.02Å; F48-V185 HydrophobicContact CD2-CG1 3.57Å; F48-V185 HydrophobicContact CE2-CB 4.02Å; F48-V185 HydrophobicContact CE2-CG1 4.04Å; F48-V185 HydrophobicContact CG-CG1 4.45Å; F74-V185 HydrophobicContact CE2-CG1 4.08Å; F74-V185 HydrophobicContact CZ-CG1 4.44Å; V95-V185 HydrophobicContact CB-CG2 4.01Å; V95-V185 HydrophobicContact CG1-CG2 4.41Å; V95-V185 HydrophobicContact CG2-CB 4.41Å; V95-V185 HydrophobicContact CG2-CG1 3.81Å; V95-V185 HydrophobicContact CG2-CG2 3.68Å; I100-V185 HydrophobicContact CG1-CG2 4.46Å; R181-V185 WeakPolarHBondContact O-CG2 3.09Å; R181-V185 PolarHBondContact O-N 3.01Å; Q182-V185 PolarHBondContact O-N 3.45Å; V185-I188 PolarHBondContact O-N 3.22Å; V185-M189 HydrophobicContact CG1-CE 4.3Å; V185-M189 WeakPolarHBondContact O-CG 3.27Å; V185-M189 PolarHBondContact O-N 2.96Å; V185-M189 VanDerWaalsContact O-N 3.13Å |
| 186 | W | 91.7 | Very high | 86.2 | Confident | 29 Ų | 29 | 20.8 Ų | 20.8 | 11% | 0.11 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.1 | -50.5 | 175.2 | -178.8 | -102.3 | 0 | 0 | 0 | 112.3 | F48 Q182 I184 I188 M189 Q190 I204 E205 L208 A216 V694 | F48-W186 HydrophobicContact CD1-CE3 4.29Å; F48-W186 HydrophobicContact CE1-CD2 4.48Å; F48-W186 AromaticContact CE1-CE3 3.51Å; F48-W186 HydrophobicContact CE1-CE3 3.51Å; F48-W186 HydrophobicContact CE1-CZ3 4.07Å; F48-W186 HydrophobicContact CE2-CB 4.36Å; F48-W186 HydrophobicContact CZ-CB 3.89Å; F48-W186 AromaticContact CZ-CE3 3.94Å; F48-W186 HydrophobicContact CZ-CE3 3.94Å; Q182-W186 WeakPolarHBondContact O-CB 3.15Å; Q182-W186 PolarHBondContact O-N 3.01Å; I184-W186 VanDerWaalsContact C-N 3.31Å; I184-W186 PolarHBondContact O-N 3.33Å; W186-I188 PolarHBondContact O-N 3.35Å; W186-M189 HydrophobicContact CE3-CE 3.78Å; W186-M189 HydrophobicContact CZ3-CE 4.42Å; W186-M189 WeakPolarHBondContact O-CB 3.27Å; W186-M189 PolarHBondContact O-N 2.97Å; W186-M189 VanDerWaalsContact O-N 3.13Å; W186-Q190 WeakPolarHBondContact O-CG 3.28Å; W186-Q190 PolarHBondContact O-N 3.43Å; W186-I204 HydrophobicContact CE3-CG2 4.27Å; W186-I204 HydrophobicContact CH2-CG2 3.93Å; W186-I204 HydrophobicContact CZ2-CG2 4.24Å; W186-I204 HydrophobicContact CZ3-CG2 3.95Å; W186-E205 HydrophobicContact CZ2-CG 4.2Å; W186-L208 HydrophobicContact CH2-CD1 4.33Å; W186-A216 HydrophobicContact CZ3-CB 4.08Å; W186-V694 HydrophobicContact CB-CG1 3.8Å; W186-V694 HydrophobicContact CD2-CB 4.45Å; W186-V694 HydrophobicContact CD2-CG1 3.56Å; W186-V694 HydrophobicContact CD2-CG2 4.11Å; W186-V694 HydrophobicContact CE3-CG1 4.13Å; W186-V694 HydrophobicContact CE3-CG2 3.93Å; W186-V694 HydrophobicContact CG-CG1 3.4Å; W186-V694 HydrophobicContact CH2-CG2 4.23Å; W186-V694 HydrophobicContact CZ2-CG2 4.38Å; W186-V694 HydrophobicContact CZ3-CG2 4Å |
| 187 | N | 87.9 | Confident | 87 | Confident | 42 Ų | 42 | 28.8 Ų | 28.8 | 23% | 0.225 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.5 | -33.5 | -179.8 | -71.4 | -21 | 0 | 0 | 0 | 111.6 | W107 A183 I184 Q190 T191 | W107-N187 HydrophobicContact CE3-CB 4.19Å; W107-N187 VanDerWaalsContact CH2-C 3.48Å; W107-N187 HydrophobicContact CH2-CB 3.13Å; W107-N187 HydrophobicContact CZ2-CB 3.71Å; W107-N187 HydrophobicContact CZ3-CB 3.39Å; A183-N187 WeakPolarHBondContact O-CB 3.31Å; A183-N187 PolarHBondContact O-N 2.91Å; A183-N187 PolarHBondContact O-ND2 3.3Å; I184-N187 PolarHBondContact O-N 3.02Å; I184-N187 VanDerWaalsContact O-N 3.17Å; N187-Q190 PolarHBondContact O-N 3.3Å; N187-T191 WeakPolarHBondContact O-CG2 3.5Å; N187-T191 PolarHBondContact O-N 3.19Å |
| 188 | I | 91.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.4 | -52.4 | 175.5 | -63.1 | 165.8 | 0 | 0 | 0 | 108.5 | F74 V99 Y103 W107 I184 V185 W186 Q190 T191 L192 | F74-I188 HydrophobicContact CE1-CB 4.4Å; F74-I188 HydrophobicContact CE1-CD1 4.13Å; F74-I188 HydrophobicContact CE1-CG2 3.69Å; F74-I188 HydrophobicContact CZ-CB 3.84Å; F74-I188 HydrophobicContact CZ-CD1 4Å; F74-I188 HydrophobicContact CZ-CG2 3.49Å; F74-I188 VanDerWaalsContact CZ-CG2 3.49Å; V99-I188 HydrophobicContact CG1-CD1 4.18Å; Y103-I188 HydrophobicContact CD1-CD1 4.35Å; Y103-I188 HydrophobicContact CD1-CG1 3.77Å; Y103-I188 HydrophobicContact CD2-CD1 3.26Å; Y103-I188 HydrophobicContact CD2-CG1 3.58Å; Y103-I188 HydrophobicContact CE1-CG1 3.86Å; Y103-I188 HydrophobicContact CE2-CD1 3.58Å; Y103-I188 HydrophobicContact CE2-CG1 3.68Å; Y103-I188 HydrophobicContact CE2-CG2 4.09Å; Y103-I188 HydrophobicContact CG-CD1 3.69Å; Y103-I188 HydrophobicContact CG-CG1 3.62Å; W107-I188 HydrophobicContact CH2-CB 4.49Å; W107-I188 HydrophobicContact CH2-CG1 3.74Å; W107-I188 HydrophobicContact CZ3-CG1 4.17Å; I184-I188 HydrophobicContact CG2-CD1 3.98Å; I184-I188 HydrophobicContact CG2-CG1 4.45Å; I184-I188 VanDerWaalsContact O-CG1 3.32Å; I184-I188 WeakPolarHBondContact O-CG1 3.41Å; I184-I188 PolarHBondContact O-N 2.91Å; V185-I188 PolarHBondContact O-N 3.22Å; W186-I188 PolarHBondContact O-N 3.35Å; I188-Q190 PolarHBondContact O-N 3.21Å; I188-Q190 VanDerWaalsContact O-N 3.12Å; I188-T191 PolarHBondContact O-N 3.46Å; I188-T191 PolarHBondContact O-OG1 3.28Å; I188-L192 HydrophobicContact CG2-CD2 4.38Å; I188-L192 WeakPolarHBondContact O-CG 3.3Å; I188-L192 PolarHBondContact O-N 2.78Å |
| 189 | M | 91.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.2 | -29.1 | 178.4 | -68.2 | -171 | -66.6 | 0 | 0 | 113.3 | F48 F65 M69 F74 I93 V185 W186 T191 G203 I204 | F48-M189 HydrophobicContact CB-CE 4.28Å; F48-M189 HydrophobicContact CD1-CE 3.78Å; F48-M189 HydrophobicContact CD2-CE 4.08Å; F48-M189 HydrophobicContact CE1-CE 4.1Å; F48-M189 HydrophobicContact CE2-CE 4.38Å; F48-M189 HydrophobicContact CG-CE 3.77Å; F48-M189 HydrophobicContact CZ-CE 4.39Å; F65-M189 HydrophobicContact CZ-CB 4.39Å; M69-M189 HydrophobicContact SD-CG 4.46Å; M69-M189 HydrophobicContact SD-SD 4.47Å; F74-M189 HydrophobicContact CE2-CG 4.06Å; I93-M189 HydrophobicContact CD1-SD 3.62Å; V185-M189 HydrophobicContact CG1-CE 4.3Å; V185-M189 WeakPolarHBondContact O-CG 3.27Å; V185-M189 PolarHBondContact O-N 2.96Å; V185-M189 VanDerWaalsContact O-N 3.13Å; W186-M189 HydrophobicContact CE3-CE 3.78Å; W186-M189 HydrophobicContact CZ3-CE 4.42Å; W186-M189 WeakPolarHBondContact O-CB 3.27Å; W186-M189 PolarHBondContact O-N 2.97Å; W186-M189 VanDerWaalsContact O-N 3.13Å; M189-T191 VanDerWaalsContact C-N 3.35Å; M189-G203 WeakPolarHBondContact O-CA 3.34Å; M189-I204 HydrophobicContact CB-CB 4.16Å; M189-I204 HydrophobicContact CB-CG2 3.94Å; M189-I204 PolarHBondContact O-N 3.05Å |
| 190 | Q | 86.6 | Confident | 86 | Confident | 18 Ų | 18 | 33.3 Ų | 33.3 | 8% | 0.084 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.8 | -26.8 | 174.5 | -67.3 | -65.1 | -1.3 | 0 | 0 | 113.7 | W186 N187 I188 G203 I204 E205 I409 | W186-Q190 WeakPolarHBondContact O-CG 3.28Å; W186-Q190 PolarHBondContact O-N 3.43Å; N187-Q190 PolarHBondContact O-N 3.3Å; I188-Q190 PolarHBondContact O-N 3.21Å; I188-Q190 VanDerWaalsContact O-N 3.12Å; Q190-G203 WeakPolarHBondContact O-CA 3.27Å; Q190-G203 PolarHBondContact O-N 2.89Å; Q190-I204 HydrophobicContact CG-CG2 4.32Å; Q190-E205 VanDerWaalsContact NE2-CD 3.31Å; Q190-E205 VanDerWaalsContact NE2-CG 3.31Å; Q190-E205 PolarHBondContact NE2-OE1 3.39Å; Q190-I409 HydrophobicContact CB-CD1 4.45Å |
| 191 | T | 84 | Confident | 85.5 | Confident | 42 Ų | 42 | 36.6 Ų | 36.6 | 26% | 0.258 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -86.6 | -17.3 | -179.3 | 61.7 | 0 | 0 | 0 | 0 | 114.1 | N187 I188 M189 I409 | N187-T191 WeakPolarHBondContact O-CG2 3.5Å; N187-T191 PolarHBondContact O-N 3.19Å; I188-T191 PolarHBondContact O-N 3.46Å; I188-T191 PolarHBondContact O-OG1 3.28Å; M189-T191 VanDerWaalsContact C-N 3.35Å; T191-I409 HydrophobicContact CG2-CD1 4.44Å |
| 192 | L | 88.9 | Confident | 85.1 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -72.2 | 141.3 | -174.3 | -59.3 | -179.7 | 0 | 0 | 0 | 113 | F65 M69 E72 I188 R202 G203 | F65-L192 HydrophobicContact CD2-CB 4.33Å; F65-L192 HydrophobicContact CE2-CB 3.75Å; F65-L192 HydrophobicContact CE2-CD1 4.3Å; F65-L192 HydrophobicContact CZ-CB 4.47Å; F65-L192 HydrophobicContact CZ-CD1 4.31Å; M69-L192 HydrophobicContact CB-CD1 4.28Å; M69-L192 HydrophobicContact CG-CD1 3.39Å; E72-L192 HydrophobicContact CG-CD2 3.58Å; I188-L192 HydrophobicContact CG2-CD2 4.38Å; I188-L192 WeakPolarHBondContact O-CG 3.3Å; I188-L192 PolarHBondContact O-N 2.78Å; L192-R202 CarbonylContact O-C 3.54Å; L192-R202 VanDerWaalsContact O-CA 3.23Å; L192-R202 WeakPolarHBondContact O-CA 3.34Å; L192-R202 WeakPolarHBondContact O-CB 3.45Å; L192-G203 PolarHBondContact O-N 2.82Å |
| 193 | P | 88.3 | Confident | 84.8 | Confident | 39 Ų | 39 | 40.5 Ų | 40.5 | 25% | 0.253 | 20% | 0.201 | S | C | . | . | B | Isolated β-bridge | trans | -67.8 | 139.1 | 171.5 | 25.9 | -27.3 | 0 | 0 | 0 | 111.2 | F64 N68 | F64-P193 HydrophobicContact CE1-CB 4.13Å; N68-P193 PolarHBondContact ND2-O 2.91Å |
| 194 | N | 85.4 | Confident | 84.7 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.011 | 20% | 0.199 | C | C | . | . | trans | -122.8 | -8.6 | -171.6 | 71.9 | 20.9 | 0 | 0 | 0 | 114.6 | F65 R201 R202 G203 L207 | F65-N194 HydrophobicContact CD2-CB 3.8Å; F65-N194 HydrophobicContact CE2-CB 4.35Å; N194-R201 PolarHBondContact N-O 2.92Å; N194-R201 WeakPolarHBondContact OD1-CB 3.45Å; N194-R201 PolarHBondContact OD1-O 3.29Å; N194-R202 VanDerWaalsContact ND2-C 3.28Å; N194-R202 PolarHBondContact ND2-O 3.38Å; N194-G203 PolarHBondContact ND2-O 3.09Å; N194-L207 HydrophobicContact CB-CD1 3.91Å; N194-L207 HydrophobicContact CB-CD2 3.87Å; N194-L207 HydrophobicContact CB-CG 3.85Å | ||
| 195 | D | 83.6 | Confident | 84.5 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | trans | -125.6 | 125.4 | 174.3 | -157.7 | -39.1 | 0 | 0 | 0 | 110.3 | R61 F64 K197 D198 R201 | R61-D195 IonicContact CZ-OD2 2.64Å; R61-D195 VanDerWaalsContact CZ-OD2 3.3Å; R61-D195 IonicContact NE-OD2 3.19Å; R61-D195 PolarHBondContact NE-OD2 3.44Å; R61-D195 IonicContact NH2-OD2 3.88Å; R61-D195 PolarHBondContact NH2-OD2 3.46Å; F64-D195 VanDerWaalsContact CE1-C 3.47Å; D195-K197 PolarHBondContact O-N 3.16Å; D195-K197 WeakPolarHBondContact OD1-CB 3.37Å; D195-K197 PolarHBondContact OD1-N 2.76Å; D195-D198 CarbonylContact O-C 3.55Å; D195-D198 PolarHBondContact O-N 3.37Å; D195-R201 HydrophobicContact CB-CB 3.89Å; D195-R201 HydrophobicContact CB-CG 4.4Å; D195-R201 IonicContact OD2-NH1 3.88Å | ||
| 196 | P | 83 | Confident | 84.1 | Confident | 69 Ų | 69 | 44.1 Ų | 44.1 | 45% | 0.448 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -66.3 | -24.1 | 176 | 26 | -34.8 | 0 | 0 | 0 | 112.9 | F64 | F64-P196 HydrophobicContact CD1-CB 4.44Å; F64-P196 HydrophobicContact CD2-CB 3.87Å; F64-P196 HydrophobicContact CE2-CB 4.02Å; F64-P196 HydrophobicContact CG-CB 4.08Å; F64-P196 HydrophobicContact CG-CG 4.34Å; F64-P196 HydrophobicContact CZ-CB 4.36Å |
| 197 | K | 82.1 | Confident | 83.9 | Confident | 189 Ų | 189 | 42.8 Ų | 42.8 | 82% | 0.822 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -82.7 | -25.4 | -178.8 | -64.9 | -177.1 | 177.1 | -177.3 | 0 | 113 | D195 | D195-K197 PolarHBondContact O-N 3.16Å; D195-K197 WeakPolarHBondContact OD1-CB 3.37Å; D195-K197 PolarHBondContact OD1-N 2.76Å |
| 198 | D | 77.8 | Confident | 84 | Confident | 54 Ų | 54 | 42.7 Ų | 42.7 | 29% | 0.289 | 21% | 0.212 | S | C | . | . | trans | -142.3 | 99.4 | -172.7 | -175.1 | 4.8 | 0 | 0 | 0 | 110.1 | D195 K200 R201 | D195-D198 CarbonylContact O-C 3.55Å; D195-D198 PolarHBondContact O-N 3.37Å; D198-K200 PolarHBondContact O-N 3.3Å; D198-K200 WeakPolarHBondContact OD1-CB 3.25Å; D198-K200 WeakPolarHBondContact OD1-CG 3.29Å; D198-K200 PolarHBondContact OD1-N 3.32Å; D198-K200 VanDerWaalsContact OD1-N 3.09Å; D198-R201 HydrophobicContact CB-CG 4.14Å; D198-R201 PolarHBondContact O-N 3.43Å; D198-R201 IonicContact OD2-NE 3.62Å | ||
| 199 | S | 73.8 | Confident | 83.7 | Confident | 81 Ų | 81 | 48.6 Ų | 48.6 | 57% | 0.566 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -10.9 | 179.5 | 63.8 | 0 | 0 | 0 | 0 | 113.8 | R202 | S199-R202 PolarHBondContact O-NE 2.85Š|
| 200 | K | 68.8 | Low | 83.5 | Confident | 68 Ų | 68 | 51.7 Ų | 51.7 | 30% | 0.296 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -25.3 | 173.3 | -58.7 | -174 | 177.9 | -167.2 | 0 | 112.6 | D198 R202 I415 D432 | D198-K200 PolarHBondContact O-N 3.3Å; D198-K200 WeakPolarHBondContact OD1-CB 3.25Å; D198-K200 WeakPolarHBondContact OD1-CG 3.29Å; D198-K200 PolarHBondContact OD1-N 3.32Å; D198-K200 VanDerWaalsContact OD1-N 3.09Å; K200-R202 PolarHBondContact O-N 3.29Å; K200-I415 HydrophobicContact CB-CG2 3.72Å; K200-I415 HydrophobicContact CD-CG2 4.28Å; K200-D432 IonicContact NZ-OD1 3.55Å; K200-D432 PolarHBondContact NZ-OD1 3.09Å; K200-D432 IonicContact NZ-OD2 3.18Å |
| 201 | R | 77.1 | Confident | 83.6 | Confident | 82 Ų | 82 | 59.8 Ų | 59.8 | 31% | 0.309 | 28% | 0.283 | S | S | . | . | trans | -77.9 | 109.2 | 177 | -62.8 | -176 | 175.4 | -157.7 | -6 | 108.7 | N194 D195 D198 L206 | N194-R201 PolarHBondContact N-O 2.92Å; N194-R201 WeakPolarHBondContact OD1-CB 3.45Å; N194-R201 PolarHBondContact OD1-O 3.29Å; D195-R201 HydrophobicContact CB-CB 3.89Å; D195-R201 HydrophobicContact CB-CG 4.4Å; D195-R201 IonicContact OD2-NH1 3.88Å; D198-R201 HydrophobicContact CB-CG 4.14Å; D198-R201 PolarHBondContact O-N 3.43Å; D198-R201 IonicContact OD2-NE 3.62Å; R201-L206 HydrophobicContact CB-CD2 3.96Å; R201-L206 HydrophobicContact CG-CD2 4.26Å | ||
| 202 | R | 81.8 | Confident | 83.9 | Confident | 122 Ų | 122 | 57.8 Ų | 57.8 | 46% | 0.46 | 27% | 0.271 | S | S | . | . | B | Isolated β-bridge | trans | -130.7 | 156.4 | -175.5 | -59.9 | -176 | -178.8 | -166 | 1 | 110.8 | L192 N194 S199 K200 | L192-R202 CarbonylContact O-C 3.54Å; L192-R202 VanDerWaalsContact O-CA 3.23Å; L192-R202 WeakPolarHBondContact O-CA 3.34Å; L192-R202 WeakPolarHBondContact O-CB 3.45Å; N194-R202 VanDerWaalsContact ND2-C 3.28Å; N194-R202 PolarHBondContact ND2-O 3.38Å; S199-R202 PolarHBondContact O-NE 2.85Å; K200-R202 PolarHBondContact O-N 3.29Å |
| 203 | G | 83.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | 91.7 | 150.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | M189 Q190 L192 N194 | M189-G203 WeakPolarHBondContact O-CA 3.34Å; Q190-G203 WeakPolarHBondContact O-CA 3.27Å; Q190-G203 PolarHBondContact O-N 2.89Å; L192-G203 PolarHBondContact O-N 2.82Å; N194-G203 PolarHBondContact ND2-O 3.09Å | ||
| 204 | I | 89.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71 | -31.3 | 178.6 | -173.8 | 61.5 | 0 | 0 | 0 | 112.1 | L50 F65 W186 M189 Q190 L206 L207 L208 Y213 A216 | L50-I204 HydrophobicContact CD1-CD1 4.33Å; L50-I204 HydrophobicContact CD2-CD1 4.09Å; L50-I204 HydrophobicContact CD2-CG1 4.39Å; F65-I204 HydrophobicContact CE1-CD1 3.9Å; F65-I204 HydrophobicContact CZ-CB 4.16Å; F65-I204 HydrophobicContact CZ-CD1 4.16Å; W186-I204 HydrophobicContact CE3-CG2 4.27Å; W186-I204 HydrophobicContact CH2-CG2 3.93Å; W186-I204 HydrophobicContact CZ2-CG2 4.24Å; W186-I204 HydrophobicContact CZ3-CG2 3.95Å; M189-I204 HydrophobicContact CB-CB 4.16Å; M189-I204 HydrophobicContact CB-CG2 3.94Å; M189-I204 PolarHBondContact O-N 3.05Å; Q190-I204 HydrophobicContact CG-CG2 4.32Å; I204-L206 VanDerWaalsContact C-N 3.32Å; I204-L206 PolarHBondContact O-N 3.3Å; I204-L207 HydrophobicContact CD1-CB 4.33Å; I204-L207 HydrophobicContact CD1-CD1 4.28Å; I204-L207 WeakPolarHBondContact O-CB 3.49Å; I204-L207 PolarHBondContact O-N 3.04Å; I204-L207 VanDerWaalsContact O-N 3.1Å; I204-L208 HydrophobicContact CG1-CD1 4.33Å; I204-L208 HydrophobicContact CG1-CG 4.39Å; I204-L208 WeakPolarHBondContact O-CG 3.46Å; I204-L208 PolarHBondContact O-N 2.81Å; I204-Y213 HydrophobicContact CD1-CD2 3.7Å; I204-Y213 HydrophobicContact CD1-CE2 4.19Å; I204-Y213 HydrophobicContact CD1-CG 4.49Å; I204-A216 HydrophobicContact CG1-CB 4.31Å |
| 205 | E | 85.1 | Confident | 84.5 | Confident | 66 Ų | 66 | 60.3 Ų | 60.3 | 31% | 0.308 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.1 | -40.1 | 177.8 | -95.9 | 168 | -138.2 | 0 | 0 | 113.2 | W186 Q190 L207 L208 K209 | W186-E205 HydrophobicContact CZ2-CG 4.2Å; Q190-E205 VanDerWaalsContact NE2-CD 3.31Å; Q190-E205 VanDerWaalsContact NE2-CG 3.31Å; Q190-E205 PolarHBondContact NE2-OE1 3.39Å; E205-L207 VanDerWaalsContact C-N 3.31Å; E205-L207 PolarHBondContact O-N 3.35Å; E205-L208 PolarHBondContact O-N 2.94Å; E205-K209 WeakPolarHBondContact O-CB 3.28Å; E205-K209 PolarHBondContact O-N 3.43Å |
| 206 | L | 83.8 | Confident | 85 | Confident | 14 Ų | 14 | 61 Ų | 61 | 7% | 0.073 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 176.3 | -175.5 | 64 | 0 | 0 | 0 | 110.9 | R201 I204 K209 I210 P412 | R201-L206 HydrophobicContact CB-CD2 3.96Å; R201-L206 HydrophobicContact CG-CD2 4.26Å; I204-L206 VanDerWaalsContact C-N 3.32Å; I204-L206 PolarHBondContact O-N 3.3Å; L206-K209 PolarHBondContact O-N 3.43Å; L206-I210 HydrophobicContact CD1-CD1 3.81Å; L206-I210 HydrophobicContact CD1-CG1 4.32Å; L206-I210 HydrophobicContact CD2-CD1 4.46Å; L206-I210 HydrophobicContact CG-CD1 3.8Å; L206-I210 WeakPolarHBondContact O-CG1 3.32Å; L206-I210 PolarHBondContact O-N 2.83Å; L206-P412 HydrophobicContact CB-CB 4.02Å; L206-P412 HydrophobicContact CB-CG 4.41Å; L206-P412 HydrophobicContact CD1-CB 4.3Å; L206-P412 HydrophobicContact CD2-CB 4.2Å; L206-P412 HydrophobicContact CG-CB 4.4Å |
| 207 | L | 89.4 | Confident | 85.4 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.3 | -36.9 | 176.7 | -68.1 | -178.1 | 0 | 0 | 0 | 112.4 | F65 N194 I204 E205 R211 V212 Y213 | F65-L207 HydrophobicContact CB-CD1 3.95Å; F65-L207 HydrophobicContact CD1-CD1 3.76Å; F65-L207 HydrophobicContact CD2-CD1 3.66Å; F65-L207 HydrophobicContact CE1-CD1 4.14Å; F65-L207 HydrophobicContact CE2-CD1 4.02Å; F65-L207 HydrophobicContact CG-CD1 3.5Å; F65-L207 HydrophobicContact CZ-CD1 4.26Å; N194-L207 HydrophobicContact CB-CD1 3.91Å; N194-L207 HydrophobicContact CB-CD2 3.87Å; N194-L207 HydrophobicContact CB-CG 3.85Å; I204-L207 HydrophobicContact CD1-CB 4.33Å; I204-L207 HydrophobicContact CD1-CD1 4.28Å; I204-L207 WeakPolarHBondContact O-CB 3.49Å; I204-L207 PolarHBondContact O-N 3.04Å; I204-L207 VanDerWaalsContact O-N 3.1Å; E205-L207 VanDerWaalsContact C-N 3.31Å; E205-L207 PolarHBondContact O-N 3.35Å; L207-R211 PolarHBondContact O-N 3.32Å; L207-V212 HydrophobicContact CB-CB 4.16Å; L207-V212 HydrophobicContact CD2-CB 3.92Å; L207-V212 HydrophobicContact CD2-CG1 4.04Å; L207-V212 HydrophobicContact CD2-CG2 3.86Å; L207-V212 WeakPolarHBondContact O-CB 3.38Å; L207-V212 PolarHBondContact O-N 2.81Å; L207-Y213 HydrophobicContact CB-CD2 4.12Å; L207-Y213 HydrophobicContact CD1-CD2 4.05Å; L207-Y213 HydrophobicContact CD1-CE2 3.95Å; L207-Y213 PolarHBondContact O-N 2.77Å |
| 208 | L | 89.6 | Confident | 85.9 | Confident | 41 Ų | 41 | 48.9 Ų | 48.9 | 22% | 0.215 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.9 | -42.7 | 173.2 | -68.1 | 168.6 | 0 | 0 | 0 | 111.3 | W186 I204 E205 I210 R211 A216 | W186-L208 HydrophobicContact CH2-CD1 4.33Å; I204-L208 HydrophobicContact CG1-CD1 4.33Å; I204-L208 HydrophobicContact CG1-CG 4.39Å; I204-L208 WeakPolarHBondContact O-CG 3.46Å; I204-L208 PolarHBondContact O-N 2.81Å; E205-L208 PolarHBondContact O-N 2.94Å; L208-I210 PolarHBondContact O-N 3.27Å; L208-R211 PolarHBondContact O-N 2.97Å; L208-R211 VanDerWaalsContact O-N 3.08Å; L208-A216 HydrophobicContact CD1-CB 3.91Å; L208-A216 HydrophobicContact CD2-CB 4.05Å; L208-A216 HydrophobicContact CG-CB 4.47Å |
| 209 | K | 84 | Confident | 86.5 | Confident | 123 Ų | 123 | 46.8 Ų | 46.8 | 54% | 0.535 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.9 | -38.6 | -179.9 | -171 | 178.9 | -179.9 | -173.3 | 0 | 113 | E205 L206 R211 D413 | E205-K209 WeakPolarHBondContact O-CB 3.28Å; E205-K209 PolarHBondContact O-N 3.43Å; L206-K209 PolarHBondContact O-N 3.43Å; K209-R211 PolarHBondContact O-N 3.49Å; K209-D413 IonicContact NZ-OD1 3.2Å; K209-D413 PolarHBondContact NZ-OD1 2.8Å; K209-D413 IonicContact NZ-OD2 2.81Å; K209-D413 PolarHBondContact NZ-OD2 3.06Å |
| 210 | I | 86.6 | Confident | 87.3 | Confident | 66 Ų | 66 | 43.2 Ų | 43.2 | 34% | 0.338 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -1.2 | 176.8 | -59.4 | 169 | 0 | 0 | 0 | 111.4 | L206 L208 V212 | L206-I210 HydrophobicContact CD1-CD1 3.81Å; L206-I210 HydrophobicContact CD1-CG1 4.32Å; L206-I210 HydrophobicContact CD2-CD1 4.46Å; L206-I210 HydrophobicContact CG-CD1 3.8Å; L206-I210 WeakPolarHBondContact O-CG1 3.32Å; L206-I210 PolarHBondContact O-N 2.83Å; L208-I210 PolarHBondContact O-N 3.27Å; I210-V212 VanDerWaalsContact C-N 3.3Å; I210-V212 HydrophobicContact CB-CG2 4.27Å; I210-V212 HydrophobicContact CG2-CG2 4.1Å; I210-V212 PolarHBondContact O-N 2.95Å |
| 211 | R | 88.8 | Confident | 88 | Confident | 187 Ų | 187 | 43.4 Ų | 43.4 | 71% | 0.706 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 35.6 | -176.8 | -56.5 | -176.4 | 175.5 | 177.6 | -3.3 | 113.8 | L207 L208 K209 | L207-R211 PolarHBondContact O-N 3.32Å; L208-R211 PolarHBondContact O-N 2.97Å; L208-R211 VanDerWaalsContact O-N 3.08Å; K209-R211 PolarHBondContact O-N 3.49Å |
| 212 | V | 91.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -73.2 | -39.8 | 167.9 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | N58 R61 R62 L207 I210 | N58-V212 HydrophobicContact CB-CB 4.38Å; N58-V212 HydrophobicContact CB-CG1 4.06Å; N58-V212 HydrophobicContact CB-CG2 3.84Å; R61-V212 HydrophobicContact CB-CG1 4.31Å; R62-V212 HydrophobicContact CG-CG1 3.34Å; L207-V212 HydrophobicContact CB-CB 4.16Å; L207-V212 HydrophobicContact CD2-CB 3.92Å; L207-V212 HydrophobicContact CD2-CG1 4.04Å; L207-V212 HydrophobicContact CD2-CG2 3.86Å; L207-V212 WeakPolarHBondContact O-CB 3.38Å; L207-V212 PolarHBondContact O-N 2.81Å; I210-V212 VanDerWaalsContact C-N 3.3Å; I210-V212 HydrophobicContact CB-CG2 4.27Å; I210-V212 HydrophobicContact CG2-CG2 4.1Å; I210-V212 PolarHBondContact O-N 2.95Å |
| 213 | Y | 93.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -114.4 | 143.6 | 163.8 | -71.3 | -69.4 | 0 | 0 | 0 | 108.3 | L50 Y52 R62 F65 N66 V91 I204 L207 | L50-Y213 HydrophobicContact CB-CD1 3.9Å; L50-Y213 HydrophobicContact CB-CE1 4.02Å; L50-Y213 HydrophobicContact CB-CG 4.48Å; L50-Y213 HydrophobicContact CD1-CD1 4.39Å; L50-Y213 HydrophobicContact CD1-CD2 4.43Å; L50-Y213 HydrophobicContact CD1-CE1 4.05Å; L50-Y213 HydrophobicContact CD1-CE2 4.07Å; Y52-Y213 AromaticContact CD1-CD1 3.79Å; Y52-Y213 HydrophobicContact CD1-CD1 3.79Å; Y52-Y213 AromaticContact CD1-CE1 3.51Å; Y52-Y213 HydrophobicContact CD1-CE1 3.51Å; Y52-Y213 HydrophobicContact CE1-CE1 4.08Å; Y52-Y213 HydrophobicContact CG-CD1 4.24Å; Y52-Y213 HydrophobicContact CG-CE1 4.25Å; R62-Y213 HydrophobicContact CG-CE1 4.47Å; F65-Y213 HydrophobicContact CD1-CE2 4.01Å; N66-Y213 PolarHBondContact OD1-OH 2.99Å; V91-Y213 HydrophobicContact CG2-CE1 4.44Å; I204-Y213 HydrophobicContact CD1-CD2 3.7Å; I204-Y213 HydrophobicContact CD1-CE2 4.19Å; I204-Y213 HydrophobicContact CD1-CG 4.49Å; L207-Y213 HydrophobicContact CB-CD2 4.12Å; L207-Y213 HydrophobicContact CD1-CD2 4.05Å; L207-Y213 HydrophobicContact CD1-CE2 3.95Å; L207-Y213 PolarHBondContact O-N 2.77Å |
| 214 | D | 89.8 | Confident | 87.1 | Confident | 38 Ų | 38 | 37.2 Ų | 37.2 | 20% | 0.203 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -84.9 | -41.4 | 178.3 | -61.1 | -57.2 | 0 | 0 | 0 | 111 | T51 Y52 R53 H88 | T51-D214 PolarHBondContact O-N 2.87Å; Y52-D214 VanDerWaalsContact CA-OD2 3.3Å; Y52-D214 WeakPolarHBondContact CA-OD2 3.25Å; R53-D214 WeakPolarHBondContact CG-OD2 3.47Å; R53-D214 PolarHBondContact N-OD2 2.67Å; R53-D214 IonicContact NE-OD1 3.4Å; R53-D214 IonicContact NE-OD2 3.63Å; R53-D214 IonicContact NH2-OD1 3.84Å; H88-D214 IonicContact CE1-OD2 2.74Å; H88-D214 IonicContact ND1-OD2 3.4Å |
| 215 | H | 91.5 | Very high | 85.8 | Confident | 60 Ų | 60 | 40 Ų | 40 | 28% | 0.278 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 147.8 | -178.8 | -52.5 | -55.2 | 0 | 0 | 0 | 111.8 | L50 T51 Y217 | L50-H215 WeakPolarHBondContact CA-O 3.2Å; T51-H215 PolarHBondContact N-O 2.83Å; T51-H215 PolarHBondContact O-N 3.07Å; T51-H215 WeakPolarHBondContact OG1-CB 3.32Å; T51-H215 PolarHBondContact OG1-CD2 3.41Å; T51-H215 PolarHBondContact OG1-N 2.91Å; H215-Y217 HydrophobicContact CB-CD1 4.19Å; H215-Y217 HydrophobicContact CB-CE1 4.27Å |
| 216 | A | 93.3 | Very high | 84.2 | Confident | 18 Ų | 18 | 39.3 Ų | 39.3 | 15% | 0.149 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 127.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | V49 L50 W186 I204 L208 | V49-A216 VanDerWaalsContact O-CA 3.31Å; V49-A216 WeakPolarHBondContact O-CA 3.26Å; L50-A216 HydrophobicContact CD2-CB 3.39Å; W186-A216 HydrophobicContact CZ3-CB 4.08Å; I204-A216 HydrophobicContact CG1-CB 4.31Å; L208-A216 HydrophobicContact CD1-CB 3.91Å; L208-A216 HydrophobicContact CD2-CB 4.05Å; L208-A216 HydrophobicContact CG-CB 4.47Å |
| 217 | Y | 92.8 | Very high | 82.4 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 150.8 | -179.4 | 56 | -84.4 | 0 | 0 | 0 | 113 | F48 V49 T51 H215 W630 D633 L634 R691 | F48-Y217 WeakPolarHBondContact CA-O 3.32Å; F48-Y217 VanDerWaalsContact CD1-C 3.47Å; F48-Y217 WeakPolarHBondContact CD1-O 2.97Å; V49-Y217 HydrophobicContact CB-CD2 4.42Å; V49-Y217 HydrophobicContact CB-CE1 4.14Å; V49-Y217 HydrophobicContact CB-CE2 3.95Å; V49-Y217 HydrophobicContact CG1-CE1 4.11Å; V49-Y217 HydrophobicContact CG1-CE2 4.39Å; V49-Y217 WeakPolarHBondContact CG1-OH 3.43Å; V49-Y217 HydrophobicContact CG2-CE2 4.22Å; V49-Y217 PolarHBondContact N-O 3.48Å; V49-Y217 PolarHBondContact O-N 3.19Å; V49-Y217 VanDerWaalsContact O-N 3.1Å; T51-Y217 HydrophobicContact CG2-CE1 4.4Å; H215-Y217 HydrophobicContact CB-CD1 4.19Å; H215-Y217 HydrophobicContact CB-CE1 4.27Å; Y217-W630 PolarHBondContact OH-O 3.07Å; Y217-D633 HydrophobicContact CD2-CB 4.39Å; Y217-D633 HydrophobicContact CE2-CB 3.83Å; Y217-L634 HydrophobicContact CE1-CD1 3.8Å; Y217-L634 WeakPolarHBondContact OH-CB 3.14Å; Y217-R691 VanDerWaalsContact CB-CD 3.49Å; Y217-R691 HydrophobicContact CD2-CG 4.09Å; Y217-R691 HydrophobicContact CG-CG 4.05Å |
| 218 | P | 93 | Very high | 80.1 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 146.7 | 167.9 | 29.9 | -29.9 | 0 | 0 | 0 | 110.4 | F48 Q182 R692 | F48-P218 HydrophobicContact CE1-CB 4.21Å; F48-P218 HydrophobicContact CE1-CG 4.37Å; F48-P218 HydrophobicContact CE2-CB 4.42Å; F48-P218 HydrophobicContact CZ-CB 4.1Å; F48-P218 HydrophobicContact CZ-CG 4.42Å; Q182-P218 HydrophobicContact CG-CB 4.18Å; P218-R692 HydrophobicContact CG-CB 4.07Å; P218-R692 HydrophobicContact CG-CG 4.05Å |
| 219 | V | 90.2 | Very high | 78.2 | Confident | 11 Ų | 11 | 53.9 Ų | 53.9 | 7% | 0.067 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 146.2 | 179.7 | -161.2 | 0 | 0 | 0 | 0 | 110.2 | I46 V49 Q629 W630 D633 R692 | I46-V219 HydrophobicContact CB-CG2 4.4Å; I46-V219 HydrophobicContact CG2-CG2 3.69Å; V49-V219 HydrophobicContact CG2-CG2 3.32Å; V219-Q629 HydrophobicContact CG1-CB 4.23Å; V219-Q629 HydrophobicContact CG1-CG 4.05Å; V219-W630 HydrophobicContact CG1-CB 3.95Å; V219-W630 HydrophobicContact CG2-CB 4.06Å; V219-D633 WeakPolarHBondContact CG1-OD2 3.44Å; V219-R692 PolarHBondContact O-NH1 3.21Å |
| 220 | H | 89 | Confident | 76.3 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.028 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 153.5 | 161.5 | -74.4 | -76.7 | 0 | 0 | 0 | 110.6 | G222 R239 Y278 Q629 D633 H690 R692 | H220-G222 VanDerWaalsContact C-N 3.33Å; H220-R239 PolarHBondContact CD2-NH1 3.41Å; H220-R239 VanDerWaalsContact CD2-NH1 3.28Å; H220-R239 VanDerWaalsContact CG-CZ 3.45Å; H220-R239 VanDerWaalsContact CG-NH1 3.28Å; H220-R239 PolarHBondContact ND1-NE 3.42Å; H220-Y278 AromaticContact ND1-CE1 3.73Å; H220-Y278 AromaticContact ND1-CZ 3.71Å; H220-Y278 PolarHBondContact ND1-OH 3.22Å; H220-Q629 HydrophobicContact CB-CG 4.18Å; H220-Q629 WeakPolarHBondContact O-CG 3.42Å; H220-D633 WeakPolarHBondContact CB-OD2 3.45Å; H220-D633 IonicContact CD2-OD1 3.86Å; H220-D633 PolarHBondContact CD2-OD1 3.25Å; H220-D633 IonicContact CD2-OD2 2.72Å; H220-D633 PolarHBondContact CD2-OD2 2.96Å; H220-D633 IonicContact CG-OD2 3.82Å; H220-D633 PolarHBondContact N-OD2 3.26Å; H220-H690 PolarHBondContact NE2-O 3.4Å; H220-H690 VanDerWaalsContact NE2-O 3.14Å; H220-R692 PolarHBondContact NE2-N 3.46Å |
| 221 | D | 83.4 | Confident | 74.2 | Confident | 72 Ų | 72 | 61 Ų | 61 | 39% | 0.385 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -77.8 | -17.4 | 178.4 | 58.4 | -31.1 | 0 | 0 | 0 | 113.7 | K238 R239 Y278 | D221-K238 WeakPolarHBondContact OD2-CA 3.29Å; D221-K238 WeakPolarHBondContact OD2-CB 3.24Å; D221-K238 PolarHBondContact OD2-N 3.08Å; D221-R239 WeakPolarHBondContact OD1-CB 3.36Å; D221-R239 PolarHBondContact OD1-N 2.88Å; D221-Y278 VanDerWaalsContact OD1-CE2 3.23Å; D221-Y278 WeakPolarHBondContact OD1-CE2 3.49Å; D221-Y278 PolarHBondContact OD1-OH 3.41Å |
| 222 | G | 79.9 | Confident | 72.3 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 12% | 0.124 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -171.1 | 178.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | H220 R239 Q629 | H220-G222 VanDerWaalsContact C-N 3.33Å; G222-R239 VanDerWaalsContact O-CD 3.22Å; G222-R239 WeakPolarHBondContact O-CD 3.47Å; G222-R239 PolarHBondContact O-NH1 2.83Å; G222-Q629 VanDerWaalsContact C-CD 3.45Å; G222-Q629 VanDerWaalsContact C-OE1 3.23Å; G222-Q629 PolarHBondContact O-NE2 2.83Å |
| 223 | D | 73.7 | Confident | 70.4 | Confident | 47 Ų | 47 | 59.1 Ų | 59.1 | 25% | 0.251 | 34% | 0.339 | S | S | . | . | trans | -72.9 | 155.4 | 176.6 | -158.1 | -38.5 | 0 | 0 | 0 | 110.3 | S225 Q240 Q629 K632 | D223-S225 PolarHBondContact OD1-N 2.69Å; D223-S225 VanDerWaalsContact OD1-N 3.17Å; D223-S225 PolarHBondContact OD1-OG 2.87Å; D223-Q240 WeakPolarHBondContact O-CG 3.02Å; D223-Q240 PolarHBondContact O-NE2 3.01Å; D223-Q629 VanDerWaalsContact N-OE1 3.15Å; D223-K632 IonicContact OD2-NZ 2.67Å; D223-K632 PolarHBondContact OD2-NZ 2.95Å | ||
| 224 | V | 70.7 | Confident | 68.6 | Low | 15 Ų | 15 | 62 Ų | 62 | 9% | 0.091 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -80.4 | -27.9 | 177.7 | -167.1 | 0 | 0 | 0 | 0 | 111.5 | R239 I688 | V224-R239 HydrophobicContact CG2-CG 4.33Å; V224-I688 HydrophobicContact CG1-CG2 3.64Å; V224-I688 HydrophobicContact CG2-CG2 3.93Å |
| 225 | S | 62 | Low | 67.3 | Low | 59 Ų | 59 | 66.5 Ų | 66.5 | 41% | 0.413 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -80.5 | 133 | -171.2 | 56.8 | 0 | 0 | 0 | 0 | 113.1 | D223 A227 Q240 | D223-S225 PolarHBondContact OD1-N 2.69Å; D223-S225 VanDerWaalsContact OD1-N 3.17Å; D223-S225 PolarHBondContact OD1-OG 2.87Å; S225-A227 VanDerWaalsContact C-N 3.3Å; S225-A227 PolarHBondContact O-N 2.92Å; S225-A227 VanDerWaalsContact O-N 3.17Å; S225-Q240 PolarHBondContact O-NE2 2.82Å |
| 226 | S | 51.7 | Low | 66.1 | Low | 51 Ų | 51 | 66.9 Ų | 66.9 | 36% | 0.357 | 40% | 0.403 | S | S | . | . | trans | -81.5 | 72.2 | 170.5 | 49.1 | 0 | 0 | 0 | 0 | 109.6 | R228 | S226-R228 VanDerWaalsContact C-N 3.33Å; S226-R228 PolarHBondContact O-N 3.26Å | ||
| 227 | A | 44.9 | Very low | 65.2 | Low | 89 Ų | 89 | 66.6 Ų | 66.6 | 74% | 0.736 | 40% | 0.4 | S | S | * | . | trans | -57.7 | 114.1 | 150.9 | 0 | 0 | 0 | 0 | 0 | 104.4 | S225 I229 | S225-A227 VanDerWaalsContact C-N 3.3Å; S225-A227 PolarHBondContact O-N 2.92Å; S225-A227 VanDerWaalsContact O-N 3.17Å; A227-I229 PolarHBondContact O-N 3.44Å | ||
| 228 | R | 42.8 | Very low | 64.4 | Low | 207 Ų | 207 | 70.1 Ų | 70.1 | 78% | 0.781 | 42% | 0.416 | S | S | * | . | trans | -24.6 | 125 | -170 | -71.5 | 171.8 | -172.7 | 158.4 | 1.4 | 110.3 | S226 E230 | S226-R228 VanDerWaalsContact C-N 3.33Å; S226-R228 PolarHBondContact O-N 3.26Å; R228-E230 HydrophobicContact CB-CG 4.45Å; R228-E230 PolarHBondContact O-N 2.84Å | ||
| 229 | I | 49.4 | Very low | 63.9 | Low | 65 Ų | 65 | 70.3 Ų | 70.3 | 33% | 0.333 | 42% | 0.417 | S | S | . | . | trans | -61.5 | 84.6 | 166.7 | -56.8 | 173.8 | 0 | 0 | 0 | 105.3 | A227 E231 I236 | A227-I229 PolarHBondContact O-N 3.44Å; I229-E231 PolarHBondContact O-N 3.45Å; I229-I236 HydrophobicContact CD1-CD1 4.08Å; I229-I236 HydrophobicContact CD1-CG1 4.28Å | ||
| 230 | E | 43.8 | Very low | 63.2 | Low | 143 Ų | 143 | 71.9 Ų | 71.9 | 67% | 0.668 | 42% | 0.423 | S | S | * | . | trans | -65 | 130.4 | 165.2 | -72.4 | -177.9 | 174.9 | 0 | 0 | 104.7 | R228 G232 S233 | R228-E230 HydrophobicContact CB-CG 4.45Å; R228-E230 PolarHBondContact O-N 2.84Å; E230-G232 PolarHBondContact O-N 3.47Å; E230-S233 WeakPolarHBondContact O-CB 3.24Å; E230-S233 PolarHBondContact O-N 3.31Å; E230-S233 PolarHBondContact O-OG 3.35Å | ||
| 231 | E | 42.1 | Very low | 62.3 | Low | 195 Ų | 195 | 73.9 Ų | 73.9 | 91% | 0.911 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 111 | 176.1 | -72.5 | 179.3 | 147.4 | 0 | 0 | 108.8 | I229 | I229-E231 PolarHBondContact O-N 3.45Š|
| 232 | G | 49.2 | Very low | 61.9 | Low | 86 Ų | 86 | 70.5 Ų | 70.5 | 89% | 0.887 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113.8 | -6.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | E230 | E230-G232 PolarHBondContact O-N 3.47Š|
| 233 | S | 52.5 | Low | 61.4 | Low | 63 Ų | 63 | 75.3 Ų | 75.3 | 44% | 0.441 | 43% | 0.43 | S | S | . | . | trans | -71.3 | 144.4 | 168.7 | 52.5 | 0 | 0 | 0 | 0 | 111.2 | E230 | E230-S233 WeakPolarHBondContact O-CB 3.24Å; E230-S233 PolarHBondContact O-N 3.31Å; E230-S233 PolarHBondContact O-OG 3.35Å | ||
| 234 | G | 54.6 | Low | 60.7 | Low | 61 Ų | 61 | 74 Ų | 74 | 63% | 0.629 | 42% | 0.423 | S | S | * | . | trans | -56 | 176.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | I236 | G234-I236 PolarHBondContact O-N 2.81Š| ||
| 235 | P | 63 | Low | 59.8 | Low | 132 Ų | 132 | 75 Ų | 75 | 86% | 0.857 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 132.2 | -173.8 | 23.2 | -33.6 | 0 | 0 | 0 | 112.1 | S237 | P235-S237 PolarHBondContact O-N 3.36Š|
| 236 | I | 65.8 | Low | 58.9 | Low | 68 Ų | 68 | 78.6 Ų | 78.6 | 35% | 0.349 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 125.4 | 177.4 | -60.5 | 171.9 | 0 | 0 | 0 | 109.2 | I229 G234 Q240 L241 L244 | I229-I236 HydrophobicContact CD1-CD1 4.08Å; I229-I236 HydrophobicContact CD1-CG1 4.28Å; G234-I236 PolarHBondContact O-N 2.81Å; I236-Q240 HydrophobicContact CG2-CB 3.98Å; I236-L241 HydrophobicContact CG2-CB 4.43Å; I236-L244 HydrophobicContact CG2-CD1 3.8Å |
| 237 | S | 75.2 | Confident | 58.7 | Low | 12 Ų | 12 | 82.9 Ų | 82.9 | 8% | 0.084 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 148 | 176.5 | 67.7 | 0 | 0 | 0 | 0 | 111 | P235 R239 Q240 L241 | P235-S237 PolarHBondContact O-N 3.36Å; S237-R239 PolarHBondContact O-N 2.97Å; S237-Q240 VanDerWaalsContact N-OE1 3.08Å; S237-Q240 WeakPolarHBondContact O-CB 3.35Å; S237-Q240 PolarHBondContact O-N 3.36Å; S237-Q240 WeakPolarHBondContact OG-CB 3.41Å; S237-Q240 WeakPolarHBondContact OG-CG 3.44Å; S237-Q240 PolarHBondContact OG-N 3.32Å; S237-Q240 VanDerWaalsContact OG-N 3.16Å; S237-Q240 PolarHBondContact OG-OE1 3.35Å; S237-L241 PolarHBondContact O-N 3.34Å |
| 238 | K | 76.3 | Confident | 58.8 | Low | 77 Ų | 77 | 82.6 Ų | 82.6 | 34% | 0.335 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.8 | -32.5 | 174.8 | -58.4 | 178.8 | 173 | -176.7 | 0 | 111.2 | E178 D221 L241 L242 Y278 | E178-K238 IonicContact OE1-NZ 2.71Å; E178-K238 PolarHBondContact OE1-NZ 3.05Å; E178-K238 IonicContact OE2-NZ 3.57Å; E178-K238 PolarHBondContact OE2-NZ 3.36Å; D221-K238 WeakPolarHBondContact OD2-CA 3.29Å; D221-K238 WeakPolarHBondContact OD2-CB 3.24Å; D221-K238 PolarHBondContact OD2-N 3.08Å; K238-L241 PolarHBondContact O-N 2.74Å; K238-L242 WeakPolarHBondContact O-CG 3.29Å; K238-L242 PolarHBondContact O-N 2.89Å; K238-Y278 HydrophobicContact CB-CD2 3.82Å; K238-Y278 HydrophobicContact CB-CE2 3.91Å |
| 239 | R | 80.7 | Confident | 59.1 | Low | 6 Ų | 6 | 75.5 Ų | 75.5 | 2% | 0.023 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 170.6 | -163.2 | -178 | -171 | 179.3 | -1.8 | 111.9 | H220 D221 G222 V224 S237 L242 Y278 D633 I688 | H220-R239 PolarHBondContact CD2-NH1 3.41Å; H220-R239 VanDerWaalsContact CD2-NH1 3.28Å; H220-R239 VanDerWaalsContact CG-CZ 3.45Å; H220-R239 VanDerWaalsContact CG-NH1 3.28Å; H220-R239 PolarHBondContact ND1-NE 3.42Å; D221-R239 WeakPolarHBondContact OD1-CB 3.36Å; D221-R239 PolarHBondContact OD1-N 2.88Å; G222-R239 VanDerWaalsContact O-CD 3.22Å; G222-R239 WeakPolarHBondContact O-CD 3.47Å; G222-R239 PolarHBondContact O-NH1 2.83Å; V224-R239 HydrophobicContact CG2-CG 4.33Å; S237-R239 PolarHBondContact O-N 2.97Å; R239-L242 PolarHBondContact O-N 2.76Å; R239-Y278 WeakPolarHBondContact CB-OH 3.46Å; R239-D633 IonicContact NH1-OD1 3.83Å; R239-D633 PolarHBondContact NH1-OD1 2.89Å; R239-I688 HydrophobicContact CG-CG2 4.05Å; R239-I688 VanDerWaalsContact CZ-O 3.23Å; R239-I688 PolarHBondContact NE-O 2.84Å; R239-I688 PolarHBondContact NH2-O 2.77Å |
| 240 | Q | 76 | Confident | 58.9 | Low | 43 Ų | 43 | 77.6 Ų | 77.6 | 20% | 0.201 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 174.7 | -74.9 | 163.2 | -33 | 0 | 0 | 110.7 | D223 S225 I236 S237 L242 R243 L244 | D223-Q240 WeakPolarHBondContact O-CG 3.02Å; D223-Q240 PolarHBondContact O-NE2 3.01Å; S225-Q240 PolarHBondContact O-NE2 2.82Å; I236-Q240 HydrophobicContact CG2-CB 3.98Å; S237-Q240 VanDerWaalsContact N-OE1 3.08Å; S237-Q240 WeakPolarHBondContact O-CB 3.35Å; S237-Q240 PolarHBondContact O-N 3.36Å; S237-Q240 WeakPolarHBondContact OG-CB 3.41Å; S237-Q240 WeakPolarHBondContact OG-CG 3.44Å; S237-Q240 PolarHBondContact OG-N 3.32Å; S237-Q240 VanDerWaalsContact OG-N 3.16Å; S237-Q240 PolarHBondContact OG-OE1 3.35Å; Q240-L242 PolarHBondContact O-N 3.48Å; Q240-L242 VanDerWaalsContact O-N 3.17Å; Q240-R243 CarbonylContact O-C 3.41Å; Q240-R243 WeakPolarHBondContact O-CA 3.42Å; Q240-R243 PolarHBondContact O-N 3.27Å; Q240-L244 HydrophobicContact CB-CD1 3.97Å; Q240-L244 HydrophobicContact CB-CG 4.22Å; Q240-L244 WeakPolarHBondContact O-CB 3.23Å; Q240-L244 VanDerWaalsContact O-CG 3.25Å; Q240-L244 WeakPolarHBondContact O-CG 3.49Å; Q240-L244 PolarHBondContact O-N 2.79Å |
| 241 | L | 71.3 | Confident | 58.9 | Low | 49 Ų | 49 | 76.5 Ų | 76.5 | 26% | 0.257 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.5 | -30 | 179.3 | -165 | 146.2 | 0 | 0 | 0 | 112.8 | I236 S237 K238 R243 Q258 L274 | I236-L241 HydrophobicContact CG2-CB 4.43Å; S237-L241 PolarHBondContact O-N 3.34Å; K238-L241 PolarHBondContact O-N 2.74Å; L241-R243 VanDerWaalsContact C-N 3.32Å; L241-Q258 VanDerWaalsContact CD2-OE1 3.22Å; L241-L274 HydrophobicContact CD2-CD1 4.38Å; L241-L274 HydrophobicContact CD2-CD2 3.13Å; L241-L274 HydrophobicContact CD2-CG 4.37Å; L241-L274 HydrophobicContact CG-CD2 4.49Å |
| 242 | L | 75 | Confident | 58.9 | Low | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.005 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -70.7 | -22.7 | 171.8 | -75.2 | 165.3 | 0 | 0 | 0 | 114 | K238 R239 Q240 W260 L274 V275 Y278 F279 I688 | K238-L242 WeakPolarHBondContact O-CG 3.29Å; K238-L242 PolarHBondContact O-N 2.89Å; R239-L242 PolarHBondContact O-N 2.76Å; Q240-L242 PolarHBondContact O-N 3.48Å; Q240-L242 VanDerWaalsContact O-N 3.17Å; L242-W260 HydrophobicContact CB-CE3 4.31Å; L242-W260 HydrophobicContact CD2-CE3 3.79Å; L242-W260 HydrophobicContact CD2-CZ3 4.25Å; L242-W260 WeakPolarHBondContact O-CB 3.48Å; L242-L274 HydrophobicContact CD2-CB 4.22Å; L242-L274 HydrophobicContact CD2-CD2 3.48Å; L242-L274 VanDerWaalsContact CD2-CD2 3.48Å; L242-L274 HydrophobicContact CD2-CG 3.73Å; L242-L274 HydrophobicContact CG-CD2 3.75Å; L242-L274 HydrophobicContact CG-CG 4.11Å; L242-V275 HydrophobicContact CD2-CG2 4.06Å; L242-Y278 HydrophobicContact CD1-CD1 3.75Å; L242-Y278 HydrophobicContact CD1-CE1 4.35Å; L242-Y278 HydrophobicContact CD1-CG 3.88Å; L242-F279 HydrophobicContact CD1-CE2 3.93Å; L242-I688 HydrophobicContact CB-CD1 3.83Å |
| 243 | R | 68.6 | Low | 58.6 | Low | 113 Ų | 113 | 76.2 Ų | 76.2 | 43% | 0.426 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -100.2 | -38.5 | -179.7 | 177.9 | 177.1 | 167.9 | 162.4 | -9.1 | 113.8 | Q240 L241 I688 | Q240-R243 CarbonylContact O-C 3.41Å; Q240-R243 WeakPolarHBondContact O-CA 3.42Å; Q240-R243 PolarHBondContact O-N 3.27Å; L241-R243 VanDerWaalsContact C-N 3.32Å; R243-I688 HydrophobicContact CB-CD1 4.19Å |
| 244 | L | 58.8 | Low | 58.3 | Low | 19 Ų | 19 | 76.1 Ų | 76.1 | 10% | 0.099 | 42% | 0.419 | C | S | . | . | trans | -57.2 | 135.8 | -159.6 | -80.5 | 169.3 | 0 | 0 | 0 | 112.9 | I236 Q240 E248 Q258 T259 | I236-L244 HydrophobicContact CG2-CD1 3.8Å; Q240-L244 HydrophobicContact CB-CD1 3.97Å; Q240-L244 HydrophobicContact CB-CG 4.22Å; Q240-L244 WeakPolarHBondContact O-CB 3.23Å; Q240-L244 VanDerWaalsContact O-CG 3.25Å; Q240-L244 WeakPolarHBondContact O-CG 3.49Å; Q240-L244 PolarHBondContact O-N 2.79Å; L244-E248 VanDerWaalsContact CD2-OE2 3.31Å; L244-E248 WeakPolarHBondContact CD2-OE2 3.22Å; L244-Q258 VanDerWaalsContact O-O 3.05Å; L244-T259 VanDerWaalsContact O-CG2 3.3Å; L244-T259 WeakPolarHBondContact O-CG2 3.07Å | ||
| 245 | S | 51.4 | Low | 57.5 | Low | 37 Ų | 37 | 76.5 Ų | 76.5 | 26% | 0.259 | 42% | 0.416 | S | S | . | . | trans | -87.3 | 147 | 179.3 | -169.5 | 0 | 0 | 0 | 0 | 110.2 | N247 E248 | S245-N247 PolarHBondContact O-N 2.87Å; S245-E248 PolarHBondContact O-N 2.82Å | ||
| 246 | E | 44.4 | Very low | 56.3 | Low | 134 Ų | 134 | 75.5 Ų | 75.5 | 63% | 0.626 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.6 | -6.5 | -174.5 | -159 | 165.1 | -160.3 | 0 | 0 | 117.8 | ||
| 247 | N | 46 | Very low | 55.3 | Low | 140 Ų | 140 | 78.7 Ų | 78.7 | 75% | 0.749 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | 2 | -171.5 | -65.1 | -0.1 | 0 | 0 | 0 | 115.2 | S245 | S245-N247 PolarHBondContact O-N 2.87Š|
| 248 | E | 48.1 | Very low | 54.1 | Low | 83 Ų | 83 | 80.5 Ų | 80.5 | 39% | 0.388 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -119.6 | 7.9 | -173.4 | -72.4 | -178.8 | 164.6 | 0 | 0 | 114.8 | L244 S245 | L244-E248 VanDerWaalsContact CD2-OE2 3.31Å; L244-E248 WeakPolarHBondContact CD2-OE2 3.22Å; S245-E248 PolarHBondContact O-N 2.82Å |
| 249 | I | 48.9 | Very low | 53.2 | Low | 58 Ų | 58 | 77.2 Ų | 77.2 | 30% | 0.297 | 41% | 0.412 | S | S | . | . | trans | -109.8 | 114.3 | -178.3 | -53.2 | 176.4 | 0 | 0 | 0 | 110.4 | H251 V254 | I249-H251 PolarHBondContact O-N 2.95Å; I249-H251 VanDerWaalsContact O-N 3.13Å; I249-V254 HydrophobicContact CD1-CG1 4.19Å; I249-V254 HydrophobicContact CG2-CB 4.21Å; I249-V254 HydrophobicContact CG2-CG1 4.41Å | ||
| 250 | P | 44.8 | Very low | 52.7 | Low | 109 Ų | 109 | 77 Ų | 77 | 71% | 0.708 | 41% | 0.411 | S | S | * | . | trans | -72 | 0.8 | -177.7 | -17.2 | 30.1 | 0 | 0 | 0 | 115.8 | ||||
| 251 | H | 44.1 | Very low | 52.5 | Low | 121 Ų | 121 | 75.4 Ų | 75.4 | 56% | 0.56 | 41% | 0.406 | S | S | * | . | trans | -110.8 | 116.7 | -169.7 | -122.7 | -61.1 | 0 | 0 | 0 | 113.4 | I249 L253 V254 | I249-H251 PolarHBondContact O-N 2.95Å; I249-H251 VanDerWaalsContact O-N 3.13Å; H251-L253 PolarHBondContact O-N 3.07Å; H251-V254 PolarHBondContact O-N 2.64Å; H251-V254 VanDerWaalsContact O-N 3.13Å | ||
| 252 | P | 43 | Very low | 52.4 | Low | 110 Ų | 110 | 74.3 Ų | 74.3 | 71% | 0.714 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -6.8 | -178.4 | 23 | -31.7 | 0 | 0 | 0 | 114.9 | ||
| 253 | L | 42 | Very low | 52.1 | Low | 164 Ų | 164 | 79.1 Ų | 79.1 | 86% | 0.859 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -7.2 | 176.6 | -72.2 | 164.5 | 0 | 0 | 0 | 113.8 | H251 | H251-L253 PolarHBondContact O-N 3.07Š|
| 254 | V | 46.3 | Very low | 51.9 | Low | 61 Ų | 61 | 83.3 Ų | 83.3 | 37% | 0.37 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -1.3 | 172.5 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | I249 H251 C256 | I249-V254 HydrophobicContact CD1-CG1 4.19Å; I249-V254 HydrophobicContact CG2-CB 4.21Å; I249-V254 HydrophobicContact CG2-CG1 4.41Å; H251-V254 PolarHBondContact O-N 2.64Å; H251-V254 VanDerWaalsContact O-N 3.13Å; V254-C256 PolarHBondContact O-N 2.94Å |
| 255 | A | 38 | Very low | 52.2 | Low | 70 Ų | 70 | 82.7 Ų | 82.7 | 58% | 0.579 | 44% | 0.437 | S | S | * | . | trans | -69.7 | 22.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 256 | C | 38 | Very low | 53 | Low | 111 Ų | 111 | 82.4 Ų | 82.4 | 75% | 0.75 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -125.7 | 101.9 | 173.9 | -97.7 | 0 | 0 | 0 | 0 | 110.6 | V254 | V254-C256 PolarHBondContact O-N 2.94Š|
| 257 | R | 44.5 | Very low | 54.2 | Low | 135 Ų | 135 | 84.6 Ų | 84.6 | 51% | 0.509 | 44% | 0.442 | S | S | . | . | trans | 83.7 | 51.1 | 141.3 | -146 | -174.4 | -139.4 | 159.8 | 8.5 | 117.8 | ||||
| 258 | Q | 49.8 | Very low | 55.3 | Low | 50 Ų | 50 | 81.5 Ų | 81.5 | 23% | 0.234 | 42% | 0.423 | C | S | . | . | trans | -131.6 | 47.9 | -174.6 | -65.9 | -173.5 | -9.1 | 0 | 0 | 116.8 | L241 L244 | L241-Q258 VanDerWaalsContact CD2-OE1 3.22Å; L244-Q258 VanDerWaalsContact O-O 3.05Å | ||
| 259 | T | 56.6 | Low | 56.4 | Low | 8 Ų | 8 | 81 Ų | 81 | 5% | 0.049 | 42% | 0.419 | C | S | . | . | trans | -110.4 | 84.1 | 167.9 | 33.8 | 0 | 0 | 0 | 0 | 109.6 | L244 C265 R681 | L244-T259 VanDerWaalsContact O-CG2 3.3Å; L244-T259 WeakPolarHBondContact O-CG2 3.07Å; T259-C265 VanDerWaalsContact CB-CB 3.49Å; T259-C265 WeakPolarHBondContact CB-SG 3.42Å; T259-C265 HydrophobicContact CG2-CB 4.47Å; T259-C265 WeakPolarHBondContact OG1-CB 3.34Å; T259-C265 PolarHBondContact OG1-SG 2.66Å; T259-R681 PolarHBondContact O-NH1 3.47Å | ||
| 260 | W | 71.2 | Confident | 57.9 | Low | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -78.3 | -52.9 | -179.5 | -176.8 | 45.3 | 0 | 0 | 0 | 111.5 | L242 S262 P271 V275 F279 F287 R681 A684 I688 | L242-W260 HydrophobicContact CB-CE3 4.31Å; L242-W260 HydrophobicContact CD2-CE3 3.79Å; L242-W260 HydrophobicContact CD2-CZ3 4.25Å; L242-W260 WeakPolarHBondContact O-CB 3.48Å; W260-S262 PolarHBondContact O-N 3.17Å; W260-P271 HydrophobicContact CB-CG 3.77Å; W260-P271 HydrophobicContact CG-CG 4.06Å; W260-V275 HydrophobicContact CD2-CG2 3.75Å; W260-V275 HydrophobicContact CE3-CG2 3.95Å; W260-V275 HydrophobicContact CG-CG2 4.45Å; W260-V275 HydrophobicContact CH2-CB 4.4Å; W260-V275 HydrophobicContact CH2-CG1 3.71Å; W260-V275 HydrophobicContact CH2-CG2 3.76Å; W260-V275 HydrophobicContact CZ2-CB 4.33Å; W260-V275 HydrophobicContact CZ2-CG1 3.76Å; W260-V275 HydrophobicContact CZ2-CG2 3.52Å; W260-V275 HydrophobicContact CZ3-CG1 4.49Å; W260-V275 HydrophobicContact CZ3-CG2 3.98Å; W260-F279 HydrophobicContact CH2-CD2 4.48Å; W260-F279 HydrophobicContact CH2-CE2 4.17Å; W260-F279 AromaticContact CZ3-CE2 3.86Å; W260-F279 HydrophobicContact CZ3-CE2 3.86Å; W260-F287 AromaticContact CH2-CD2 3.93Å; W260-F287 HydrophobicContact CH2-CD2 3.93Å; W260-F287 HydrophobicContact CH2-CE1 4.23Å; W260-F287 AromaticContact CH2-CE2 3.52Å; W260-F287 HydrophobicContact CH2-CE2 3.52Å; W260-F287 HydrophobicContact CH2-CG 4.45Å; W260-F287 AromaticContact CH2-CZ 3.68Å; W260-F287 HydrophobicContact CH2-CZ 3.68Å; W260-F287 HydrophobicContact CZ2-CB 4.42Å; W260-F287 AromaticContact CZ2-CD1 3.55Å; W260-F287 HydrophobicContact CZ2-CD1 3.55Å; W260-F287 AromaticContact CZ2-CD2 3.46Å; W260-F287 HydrophobicContact CZ2-CD2 3.46Å; W260-F287 VanDerWaalsContact CZ2-CD2 3.46Å; W260-F287 AromaticContact CZ2-CE1 3.47Å; W260-F287 HydrophobicContact CZ2-CE1 3.47Å; W260-F287 VanDerWaalsContact CZ2-CE1 3.47Å; W260-F287 AromaticContact CZ2-CE2 3.38Å; W260-F287 HydrophobicContact CZ2-CE2 3.38Å; W260-F287 AromaticContact CZ2-CG 3.54Å; W260-F287 HydrophobicContact CZ2-CG 3.54Å; W260-F287 AromaticContact CZ2-CZ 3.38Å; W260-F287 HydrophobicContact CZ2-CZ 3.38Å; W260-R681 WeakPolarHBondContact O-CD 3.18Å; W260-R681 PolarHBondContact O-NH1 3.14Å; W260-A684 HydrophobicContact CD2-CB 3.62Å; W260-A684 VanDerWaalsContact CE2-CB 3.5Å; W260-A684 HydrophobicContact CE3-CB 3.89Å; W260-A684 HydrophobicContact CG-CB 4.16Å; W260-A684 HydrophobicContact CH2-CB 3.99Å; W260-A684 HydrophobicContact CZ2-CB 3.73Å; W260-A684 HydrophobicContact CZ3-CB 4.04Å; W260-I688 HydrophobicContact CE3-CD1 4.26Å; W260-I688 HydrophobicContact CZ3-CD1 4.43Å; W260-I688 HydrophobicContact CZ3-CG1 4.36Å |
| 261 | A | 72.4 | Confident | 59.6 | Low | 10 Ų | 10 | 74.9 Ų | 74.9 | 8% | 0.083 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -92.3 | 17.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | A684 K685 I688 | A261-A684 HydrophobicContact CB-CB 3.98Å; A261-K685 HydrophobicContact CB-CB 4.24Å; A261-I688 HydrophobicContact CB-CD1 3.45Å; A261-I688 VanDerWaalsContact CB-CD1 3.45Å |
| 262 | S | 68.6 | Low | 61.4 | Low | 26 Ų | 26 | 70.9 Ų | 70.9 | 18% | 0.182 | 36% | 0.363 | C | S | . | . | trans | -106.3 | 131.5 | 178.4 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | W260 R264 C265 | W260-S262 PolarHBondContact O-N 3.17Å; S262-R264 PolarHBondContact O-N 2.97Å; S262-R264 PolarHBondContact OG-N 3.39Å; S262-C265 PolarHBondContact O-N 3.34Å; S262-C265 VanDerWaalsContact O-N 3.16Å | ||
| 263 | H | 68.5 | Low | 63 | Low | 103 Ų | 103 | 67.8 Ų | 67.8 | 48% | 0.477 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -62.9 | -21.1 | 174.6 | -63.5 | -76.7 | 0 | 0 | 0 | 113.3 | C265 T266 | H263-C265 PolarHBondContact O-N 2.99Å; H263-C265 VanDerWaalsContact O-N 3.14Å; H263-T266 PolarHBondContact O-OG1 2.98Å |
| 264 | R | 64.6 | Low | 64.8 | Low | 200 Ų | 200 | 61 Ų | 61 | 76% | 0.755 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -64.6 | -18.4 | 176.7 | -67.1 | -175.5 | 178.5 | 179.2 | -1.5 | 112.6 | S262 | S262-R264 PolarHBondContact O-N 2.97Å; S262-R264 PolarHBondContact OG-N 3.39Å |
| 265 | C | 65 | Low | 66.6 | Low | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -119.2 | 27.7 | -169.5 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | T259 S262 H263 F267 H268 R681 | T259-C265 VanDerWaalsContact CB-CB 3.49Å; T259-C265 WeakPolarHBondContact CB-SG 3.42Å; T259-C265 HydrophobicContact CG2-CB 4.47Å; T259-C265 WeakPolarHBondContact OG1-CB 3.34Å; T259-C265 PolarHBondContact OG1-SG 2.66Å; S262-C265 PolarHBondContact O-N 3.34Å; S262-C265 VanDerWaalsContact O-N 3.16Å; H263-C265 PolarHBondContact O-N 2.99Å; H263-C265 VanDerWaalsContact O-N 3.14Å; C265-F267 PolarHBondContact O-N 3Å; C265-F267 VanDerWaalsContact O-N 3.1Å; C265-H268 HydrophobicContact CB-CB 4.06Å; C265-H268 WeakPolarHBondContact O-CB 3.42Å; C265-H268 PolarHBondContact O-N 3.48Å; C265-R681 PolarHBondContact O-NH2 2.78Å |
| 266 | T | 68.3 | Low | 68.9 | Low | 31 Ų | 31 | 55.3 Ų | 55.3 | 19% | 0.19 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.5 | -43 | 176.3 | -62.2 | 0 | 0 | 0 | 0 | 113.1 | H263 L677 R681 | H263-T266 PolarHBondContact O-OG1 2.98Å; T266-L677 HydrophobicContact CG2-CB 3.67Å; T266-L677 HydrophobicContact CG2-CD2 3.95Å; T266-L677 HydrophobicContact CG2-CG 4.27Å; T266-L677 WeakPolarHBondContact CG2-O 3.16Å; T266-R681 PolarHBondContact O-NH2 3.43Å |
| 267 | F | 69.7 | Low | 71.1 | Confident | 181 Ų | 181 | 53.2 Ų | 53.2 | 79% | 0.794 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -2.7 | -179.5 | -57.3 | -71.4 | 0 | 0 | 0 | 115.3 | C265 L677 | C265-F267 PolarHBondContact O-N 3Å; C265-F267 VanDerWaalsContact O-N 3.1Å; F267-L677 HydrophobicContact CE1-CD1 4.2Å |
| 268 | H | 68.9 | Low | 73.1 | Confident | 75 Ų | 75 | 46.9 Ų | 46.9 | 35% | 0.347 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -81 | 150.8 | 179.6 | -72 | 68.8 | 0 | 0 | 0 | 112 | C265 R681 | C265-H268 HydrophobicContact CB-CB 4.06Å; C265-H268 WeakPolarHBondContact O-CB 3.42Å; C265-H268 PolarHBondContact O-N 3.48Å; H268-R681 PolarHBondContact O-NH2 2.9Å |
| 269 | K | 71.4 | Confident | 75 | Confident | 71 Ų | 71 | 44.6 Ų | 44.6 | 31% | 0.309 | 20% | 0.203 | S | C | . | . | P | Polyproline II helix | trans | -64.3 | 144.4 | 176.3 | -61.5 | -167.1 | -180 | -178.8 | 0 | 111.1 | N143 | N143-K269 PolarHBondContact OD1-NZ 2.98Š|
| 270 | Q | 80.5 | Confident | 76.6 | Confident | 30 Ų | 30 | 44.2 Ų | 44.2 | 14% | 0.14 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -78.2 | 136.4 | 177.7 | -60.8 | -173.4 | 63.3 | 0 | 0 | 111.5 | L272 F287 V680 | Q270-L272 HydrophobicContact CB-CD2 4.27Å; Q270-L272 HydrophobicContact CB-CG 4.37Å; Q270-L272 PolarHBondContact O-N 3.1Å; Q270-F287 PolarHBondContact NE2-O 2.73Å; Q270-V680 HydrophobicContact CG-CG1 4.19Å |
| 271 | P | 79.8 | Confident | 77.5 | Confident | 10 Ų | 10 | 44.6 Ų | 44.6 | 7% | 0.065 | 20% | 0.202 | C | C | . | . | trans | -81.3 | 63.7 | 176.1 | 34.6 | -35.5 | 0 | 0 | 0 | 111.4 | W260 H273 L274 V275 | W260-P271 HydrophobicContact CB-CG 3.77Å; W260-P271 HydrophobicContact CG-CG 4.06Å; P271-H273 PolarHBondContact O-N 3.38Å; P271-L274 HydrophobicContact CB-CB 4.39Å; P271-L274 PolarHBondContact O-N 3.46Å; P271-V275 WeakPolarHBondContact O-CG2 3.36Å; P271-V275 PolarHBondContact O-N 3.36Å | ||
| 272 | L | 81.9 | Confident | 78.4 | Confident | 36 Ų | 36 | 46.3 Ų | 46.3 | 19% | 0.188 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -51.7 | -36.7 | -175.5 | -65.8 | 175.7 | 0 | 0 | 0 | 113 | Q270 L274 V275 Y276 F287 A288 | Q270-L272 HydrophobicContact CB-CD2 4.27Å; Q270-L272 HydrophobicContact CB-CG 4.37Å; Q270-L272 PolarHBondContact O-N 3.1Å; L272-L274 VanDerWaalsContact C-N 3.25Å; L272-L274 PolarHBondContact O-N 2.9Å; L272-V275 PolarHBondContact O-N 3.46Å; L272-Y276 VanDerWaalsContact O-CD1 3.27Å; L272-Y276 WeakPolarHBondContact O-CD1 3.42Å; L272-Y276 PolarHBondContact O-N 3.4Å; L272-F287 HydrophobicContact CD2-CB 4.06Å; L272-A288 HydrophobicContact CD1-CB 3.95Å; L272-A288 HydrophobicContact CD2-CB 4.07Å |
| 273 | H | 77.2 | Confident | 79.5 | Confident | 45 Ų | 45 | 45.3 Ų | 45.3 | 21% | 0.208 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.6 | -32.8 | -179.7 | 76.3 | -85.5 | 0 | 0 | 0 | 113.5 | W146 P271 Y276 R277 | W146-H273 AromaticContact CH2-ND1 3.57Å; W146-H273 AromaticContact CZ3-ND1 3.7Å; P271-H273 PolarHBondContact O-N 3.38Å; H273-Y276 VanDerWaalsContact CA-CE1 3.48Å; H273-Y276 HydrophobicContact CB-CE1 4.15Å; H273-Y276 WeakPolarHBondContact O-CD1 3.41Å; H273-Y276 WeakPolarHBondContact O-CE1 3.3Å; H273-R277 WeakPolarHBondContact O-CB 3.43Å; H273-R277 VanDerWaalsContact O-CD 3.27Å; H273-R277 WeakPolarHBondContact O-CD 3.41Å; H273-R277 WeakPolarHBondContact O-CG 3.47Å |
| 274 | L | 79.5 | Confident | 80.6 | Confident | 21 Ų | 21 | 40.4 Ų | 40.4 | 11% | 0.11 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -84.1 | -39.5 | 179.1 | -173.1 | 68 | 0 | 0 | 0 | 110.7 | L241 L242 P271 L272 R277 Y278 | L241-L274 HydrophobicContact CD2-CD1 4.38Å; L241-L274 HydrophobicContact CD2-CD2 3.13Å; L241-L274 HydrophobicContact CD2-CG 4.37Å; L241-L274 HydrophobicContact CG-CD2 4.49Å; L242-L274 HydrophobicContact CD2-CB 4.22Å; L242-L274 HydrophobicContact CD2-CD2 3.48Å; L242-L274 VanDerWaalsContact CD2-CD2 3.48Å; L242-L274 HydrophobicContact CD2-CG 3.73Å; L242-L274 HydrophobicContact CG-CD2 3.75Å; L242-L274 HydrophobicContact CG-CG 4.11Å; P271-L274 HydrophobicContact CB-CB 4.39Å; P271-L274 PolarHBondContact O-N 3.46Å; L272-L274 VanDerWaalsContact C-N 3.25Å; L272-L274 PolarHBondContact O-N 2.9Å; L274-R277 PolarHBondContact O-N 3.22Å; L274-Y278 WeakPolarHBondContact O-CB 3.46Å; L274-Y278 PolarHBondContact O-N 3.43Å |
| 275 | V | 85.1 | Confident | 82 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.5 | -51.5 | 177.9 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | L242 W260 P271 L272 R277 Y278 F279 V283 F287 | L242-V275 HydrophobicContact CD2-CG2 4.06Å; W260-V275 HydrophobicContact CD2-CG2 3.75Å; W260-V275 HydrophobicContact CE3-CG2 3.95Å; W260-V275 HydrophobicContact CG-CG2 4.45Å; W260-V275 HydrophobicContact CH2-CB 4.4Å; W260-V275 HydrophobicContact CH2-CG1 3.71Å; W260-V275 HydrophobicContact CH2-CG2 3.76Å; W260-V275 HydrophobicContact CZ2-CB 4.33Å; W260-V275 HydrophobicContact CZ2-CG1 3.76Å; W260-V275 HydrophobicContact CZ2-CG2 3.52Å; W260-V275 HydrophobicContact CZ3-CG1 4.49Å; W260-V275 HydrophobicContact CZ3-CG2 3.98Å; P271-V275 WeakPolarHBondContact O-CG2 3.36Å; P271-V275 PolarHBondContact O-N 3.36Å; L272-V275 PolarHBondContact O-N 3.46Å; V275-R277 VanDerWaalsContact C-N 3.34Å; V275-R277 PolarHBondContact O-N 3Å; V275-Y278 PolarHBondContact O-N 2.97Å; V275-F279 HydrophobicContact CG1-CD2 4.24Å; V275-F279 PolarHBondContact O-N 3.17Å; V275-V283 HydrophobicContact CG1-CG1 4.3Å; V275-F287 HydrophobicContact CG1-CD2 3.91Å |
| 276 | Y | 86.4 | Confident | 83.4 | Confident | 12 Ų | 12 | 30.7 Ų | 30.7 | 5% | 0.047 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.4 | -32.7 | -179.3 | 90.1 | -104.5 | 0 | 0 | 0 | 112.2 | R177 L272 H273 Y278 G280 W398 | R177-Y276 PolarHBondContact NH1-OH 2.93Å; R177-Y276 PolarHBondContact NH2-OH 3.38Å; L272-Y276 VanDerWaalsContact O-CD1 3.27Å; L272-Y276 WeakPolarHBondContact O-CD1 3.42Å; L272-Y276 PolarHBondContact O-N 3.4Å; H273-Y276 VanDerWaalsContact CA-CE1 3.48Å; H273-Y276 HydrophobicContact CB-CE1 4.15Å; H273-Y276 WeakPolarHBondContact O-CD1 3.41Å; H273-Y276 WeakPolarHBondContact O-CE1 3.3Å; Y276-Y278 VanDerWaalsContact C-N 3.28Å; Y276-Y278 PolarHBondContact O-N 3.21Å; Y276-G280 WeakPolarHBondContact CA-O 3.42Å; Y276-G280 CarbonylContact O-C 3.57Å; Y276-G280 WeakPolarHBondContact O-CA 3.4Å; Y276-G280 PolarHBondContact O-N 3.04Å; Y276-W398 AromaticContact CD1-CD1 3.8Å; Y276-W398 AromaticContact CD1-CD2 3.93Å; Y276-W398 HydrophobicContact CD1-CD2 3.93Å; Y276-W398 AromaticContact CD1-CE2 3.37Å; Y276-W398 HydrophobicContact CD1-CG 4.16Å; Y276-W398 AromaticContact CD1-CZ2 3.75Å; Y276-W398 HydrophobicContact CD1-CZ2 3.75Å; Y276-W398 AromaticContact CD1-NE1 3.33Å; Y276-W398 VanDerWaalsContact CD1-NE1 3.33Å; Y276-W398 HydrophobicContact CD2-CD2 4.34Å; Y276-W398 HydrophobicContact CD2-CG 4.29Å; Y276-W398 AromaticContact CE1-CD1 3.44Å; Y276-W398 VanDerWaalsContact CE1-CD1 3.44Å; Y276-W398 HydrophobicContact CE1-CD2 4.34Å; Y276-W398 AromaticContact CE1-CE2 3.84Å; Y276-W398 HydrophobicContact CE1-CG 4.1Å; Y276-W398 AromaticContact CE1-NE1 3.27Å; Y276-W398 VanDerWaalsContact CE1-NE1 3.27Å; Y276-W398 HydrophobicContact CE2-CG 4.32Å; Y276-W398 AromaticContact CG-CD2 3.95Å; Y276-W398 HydrophobicContact CG-CD2 3.95Å; Y276-W398 AromaticContact CG-CE2 3.82Å; Y276-W398 HydrophobicContact CG-CE3 4.44Å; Y276-W398 HydrophobicContact CG-CG 4.27Å; Y276-W398 HydrophobicContact CG-CZ2 4.18Å; Y276-W398 AromaticContact CZ-CD1 3.76Å |
| 277 | R | 83.8 | Confident | 84.5 | Confident | 68 Ų | 68 | 29.2 Ų | 29.2 | 26% | 0.257 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -66.1 | -34.1 | 177.1 | -79.8 | 178 | -178 | -172.6 | 2.6 | 111.8 | R177 A179 H273 L274 V275 | R177-R277 HydrophobicContact CG-CG 4.31Å; A179-R277 WeakPolarHBondContact CB-O 3.41Å; A179-R277 PolarHBondContact N-O 3.23Å; H273-R277 WeakPolarHBondContact O-CB 3.43Å; H273-R277 VanDerWaalsContact O-CD 3.27Å; H273-R277 WeakPolarHBondContact O-CD 3.41Å; H273-R277 WeakPolarHBondContact O-CG 3.47Å; L274-R277 PolarHBondContact O-N 3.22Å; V275-R277 VanDerWaalsContact C-N 3.34Å; V275-R277 PolarHBondContact O-N 3Å |
| 278 | Y | 86.2 | Confident | 85.6 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 0% | 0.004 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -86.9 | -52.6 | -178.1 | -165.8 | -102 | 0 | 0 | 0 | 112.7 | H220 D221 K238 R239 L242 L274 V275 Y276 R692 | H220-Y278 AromaticContact ND1-CE1 3.73Å; H220-Y278 AromaticContact ND1-CZ 3.71Å; H220-Y278 PolarHBondContact ND1-OH 3.22Å; D221-Y278 VanDerWaalsContact OD1-CE2 3.23Å; D221-Y278 WeakPolarHBondContact OD1-CE2 3.49Å; D221-Y278 PolarHBondContact OD1-OH 3.41Å; K238-Y278 HydrophobicContact CB-CD2 3.82Å; K238-Y278 HydrophobicContact CB-CE2 3.91Å; R239-Y278 WeakPolarHBondContact CB-OH 3.46Å; L242-Y278 HydrophobicContact CD1-CD1 3.75Å; L242-Y278 HydrophobicContact CD1-CE1 4.35Å; L242-Y278 HydrophobicContact CD1-CG 3.88Å; L274-Y278 WeakPolarHBondContact O-CB 3.46Å; L274-Y278 PolarHBondContact O-N 3.43Å; V275-Y278 PolarHBondContact O-N 2.97Å; Y276-Y278 VanDerWaalsContact C-N 3.28Å; Y276-Y278 PolarHBondContact O-N 3.21Å; Y278-R692 PolarHBondContact O-NE 3.04Å; Y278-R692 PolarHBondContact O-NH2 2.03Å |
| 279 | F | 89.3 | Confident | 86.9 | Confident | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.009 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -94.7 | -14.6 | -175.2 | -66.2 | -70.9 | 0 | 0 | 0 | 114.2 | L242 W260 V275 V283 M687 I688 R692 P693 | L242-F279 HydrophobicContact CD1-CE2 3.93Å; W260-F279 HydrophobicContact CH2-CD2 4.48Å; W260-F279 HydrophobicContact CH2-CE2 4.17Å; W260-F279 AromaticContact CZ3-CE2 3.86Å; W260-F279 HydrophobicContact CZ3-CE2 3.86Å; V275-F279 HydrophobicContact CG1-CD2 4.24Å; V275-F279 PolarHBondContact O-N 3.17Å; F279-V283 HydrophobicContact CB-CB 3.67Å; F279-V283 HydrophobicContact CB-CG1 3.75Å; F279-V283 HydrophobicContact CB-CG2 3.92Å; F279-V283 HydrophobicContact CD2-CG1 4.39Å; F279-V283 HydrophobicContact CG-CG1 4.19Å; F279-M687 HydrophobicContact CE1-CB 4.37Å; F279-M687 HydrophobicContact CE2-CB 4.34Å; F279-M687 HydrophobicContact CZ-CB 4.01Å; F279-I688 HydrophobicContact CZ-CG1 4.47Å; F279-R692 HydrophobicContact CD1-CG 4.47Å; F279-P693 HydrophobicContact CD1-CG 4.08Å |
| 280 | G | 89.6 | Confident | 87.9 | Confident | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.01 | 6% | 0.064 | C | C | . | . | trans | 99.1 | 174.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | Y276 K282 G284 | Y276-G280 WeakPolarHBondContact CA-O 3.42Å; Y276-G280 CarbonylContact O-C 3.57Å; Y276-G280 WeakPolarHBondContact O-CA 3.4Å; Y276-G280 PolarHBondContact O-N 3.04Å; G280-K282 PolarHBondContact O-N 3.32Å; G280-G284 PolarHBondContact O-N 2.94Å | ||
| 281 | H | 90.6 | Very high | 88.3 | Confident | 8 Ų | 8 | 12.9 Ų | 12.9 | 4% | 0.037 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -64.8 | -40.4 | -173 | -58.1 | 103.5 | 0 | 0 | 0 | 112.9 | V283 G284 F285 W398 T400 V698 | H281-V283 PolarHBondContact O-N 3.14Å; H281-G284 PolarHBondContact O-N 3.46Å; H281-F285 HydrophobicContact CB-CD2 4.39Å; H281-F285 HydrophobicContact CB-CE2 4.45Å; H281-F285 VanDerWaalsContact O-CD2 3.27Å; H281-F285 WeakPolarHBondContact O-CD2 3.36Å; H281-F285 PolarHBondContact O-N 3.3Å; H281-W398 AromaticContact CD2-CE3 3.9Å; H281-W398 PolarHBondContact NE2-O 3.46Å; H281-T400 VanDerWaalsContact NE2-CG2 3.31Å; H281-T400 WeakPolarHBondContact NE2-CG2 3.47Å; H281-V698 HydrophobicContact CB-CG2 4.06Å |
| 282 | K | 91.2 | Very high | 88.9 | Confident | 46 Ų | 46 | 12.5 Ų | 12.5 | 20% | 0.2 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -56.9 | -50.6 | -179.6 | -174.9 | 178.6 | 176.7 | -177.6 | 0 | 112.3 | G280 Y286 D642 V696 V698 | G280-K282 PolarHBondContact O-N 3.32Å; K282-Y286 PolarHBondContact O-N 3.43Å; K282-D642 IonicContact NZ-OD2 3.71Å; K282-D642 PolarHBondContact NZ-OD2 2.82Å; K282-V696 HydrophobicContact CB-CB 4.47Å; K282-V696 HydrophobicContact CD-CB 4.49Å; K282-V696 PolarHBondContact N-O 3.35Å; K282-V698 HydrophobicContact CB-CG2 4.14Å |
| 283 | V | 91.9 | Very high | 89.5 | Confident | 4 Ų | 4 | 10.8 Ų | 10.8 | 2% | 0.024 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -67.9 | -39.2 | 175.9 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | V275 F279 H281 F285 Y286 F287 V644 M687 P693 | V275-V283 HydrophobicContact CG1-CG1 4.3Å; F279-V283 HydrophobicContact CB-CB 3.67Å; F279-V283 HydrophobicContact CB-CG1 3.75Å; F279-V283 HydrophobicContact CB-CG2 3.92Å; F279-V283 HydrophobicContact CD2-CG1 4.39Å; F279-V283 HydrophobicContact CG-CG1 4.19Å; H281-V283 PolarHBondContact O-N 3.14Å; V283-F285 PolarHBondContact O-N 3.43Å; V283-Y286 WeakPolarHBondContact O-CB 3.07Å; V283-Y286 PolarHBondContact O-N 3.2Å; V283-F287 HydrophobicContact CG1-CD2 3.76Å; V283-F287 HydrophobicContact CG1-CE2 3.65Å; V283-F287 WeakPolarHBondContact O-CD2 3.47Å; V283-F287 PolarHBondContact O-N 3.24Å; V283-F287 VanDerWaalsContact O-N 3.16Å; V283-V644 HydrophobicContact CG2-CG2 4Å; V283-M687 HydrophobicContact CG1-SD 4.36Å; V283-P693 HydrophobicContact CG2-CG 4.17Å |
| 284 | G | 91.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -56.8 | -47.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G280 H281 Y286 F287 A288 W398 | G280-G284 PolarHBondContact O-N 2.94Å; H281-G284 PolarHBondContact O-N 3.46Å; G284-Y286 VanDerWaalsContact C-N 3.32Å; G284-Y286 PolarHBondContact O-N 3.25Å; G284-F287 PolarHBondContact O-N 2.85Å; G284-A288 VanDerWaalsContact O-CB 3.31Å; G284-A288 WeakPolarHBondContact O-CB 3.41Å; G284-A288 PolarHBondContact O-N 3Å; G284-W398 VanDerWaalsContact C-CH2 3.44Å |
| 285 | F | 93.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 13 Ų | 13 | 0% | 0.004 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -65.1 | -35.4 | 178.9 | -87.3 | -68.1 | 0 | 0 | 0 | 112.4 | H281 V283 A288 F289 E391 L394 A395 W398 V698 I701 | H281-F285 HydrophobicContact CB-CD2 4.39Å; H281-F285 HydrophobicContact CB-CE2 4.45Å; H281-F285 VanDerWaalsContact O-CD2 3.27Å; H281-F285 WeakPolarHBondContact O-CD2 3.36Å; H281-F285 PolarHBondContact O-N 3.3Å; V283-F285 PolarHBondContact O-N 3.43Å; F285-A288 PolarHBondContact O-N 2.87Å; F285-F289 WeakPolarHBondContact O-CB 3.38Å; F285-F289 PolarHBondContact O-N 3.28Å; F285-E391 HydrophobicContact CD1-CG 4.47Å; F285-E391 HydrophobicContact CE1-CG 3.98Å; F285-L394 HydrophobicContact CE1-CB 3.84Å; F285-L394 HydrophobicContact CE1-CD1 4.43Å; F285-L394 HydrophobicContact CZ-CB 4.28Å; F285-A395 HydrophobicContact CZ-CB 4.11Å; F285-W398 HydrophobicContact CB-CZ3 4.4Å; F285-W398 AromaticContact CD1-CZ3 3.97Å; F285-W398 HydrophobicContact CD1-CZ3 3.97Å; F285-W398 AromaticContact CD2-CE3 3.99Å; F285-W398 HydrophobicContact CD2-CE3 3.99Å; F285-W398 AromaticContact CD2-CZ3 3.57Å; F285-W398 HydrophobicContact CD2-CZ3 3.57Å; F285-W398 HydrophobicContact CE1-CE3 4.38Å; F285-W398 HydrophobicContact CE1-CZ3 4.07Å; F285-W398 AromaticContact CE2-CE3 3.62Å; F285-W398 HydrophobicContact CE2-CE3 3.62Å; F285-W398 AromaticContact CE2-CZ3 3.68Å; F285-W398 HydrophobicContact CE2-CZ3 3.68Å; F285-W398 HydrophobicContact CG-CE3 4.5Å; F285-W398 AromaticContact CG-CZ3 3.72Å; F285-W398 HydrophobicContact CG-CZ3 3.72Å; F285-W398 AromaticContact CZ-CE3 3.85Å; F285-W398 HydrophobicContact CZ-CE3 3.85Å; F285-W398 AromaticContact CZ-CZ3 3.93Å; F285-W398 HydrophobicContact CZ-CZ3 3.93Å; F285-V698 HydrophobicContact CD2-CG2 3.78Å; F285-V698 HydrophobicContact CE2-CG2 4.29Å; F285-V698 WeakPolarHBondContact CE2-O 3.31Å; F285-I701 HydrophobicContact CB-CG2 4.06Å |
| 286 | Y | 94.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 0% | 0.004 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.5 | -52.8 | 175 | 163.2 | -98.4 | 0 | 0 | 0 | 112.4 | K282 V283 G284 A288 F289 M290 V644 E647 F648 M651 D683 | K282-Y286 PolarHBondContact O-N 3.43Å; V283-Y286 WeakPolarHBondContact O-CB 3.07Å; V283-Y286 PolarHBondContact O-N 3.2Å; G284-Y286 VanDerWaalsContact C-N 3.32Å; G284-Y286 PolarHBondContact O-N 3.25Å; Y286-A288 VanDerWaalsContact C-N 3.29Å; Y286-A288 PolarHBondContact O-N 3Å; Y286-F289 WeakPolarHBondContact O-CB 3.37Å; Y286-F289 PolarHBondContact O-N 3.13Å; Y286-F289 VanDerWaalsContact O-N 3.16Å; Y286-M290 HydrophobicContact CE1-CE 4.02Å; Y286-M290 HydrophobicContact CE2-CE 4.26Å; Y286-M290 WeakPolarHBondContact O-CB 3.47Å; Y286-M290 PolarHBondContact O-N 2.93Å; Y286-M290 WeakPolarHBondContact OH-CE 3.28Å; Y286-V644 HydrophobicContact CD2-CG1 4.09Å; Y286-V644 HydrophobicContact CG-CG1 4.01Å; Y286-E647 HydrophobicContact CD2-CB 4.37Å; Y286-E647 HydrophobicContact CE2-CB 3.34Å; Y286-E647 HydrophobicContact CE2-CG 4.23Å; Y286-E647 WeakPolarHBondContact OH-CB 3.32Å; Y286-F648 HydrophobicContact CD2-CD1 4.46Å; Y286-F648 AromaticContact CD2-CD2 3.97Å; Y286-F648 HydrophobicContact CD2-CD2 3.97Å; Y286-F648 HydrophobicContact CD2-CE1 4.26Å; Y286-F648 AromaticContact CD2-CE2 3.77Å; Y286-F648 HydrophobicContact CD2-CE2 3.77Å; Y286-F648 HydrophobicContact CD2-CG 4.29Å; Y286-F648 AromaticContact CD2-CZ 3.9Å; Y286-F648 HydrophobicContact CD2-CZ 3.9Å; Y286-F648 HydrophobicContact CG-CE2 4.22Å; Y286-F648 HydrophobicContact CG-CZ 4.37Å; Y286-M651 HydrophobicContact CD2-CE 3.52Å; Y286-M651 HydrophobicContact CE2-CE 3.31Å; Y286-M651 HydrophobicContact CE2-SD 4.04Å; Y286-D683 HydrophobicContact CE1-CB 4.47Å; Y286-D683 PolarHBondContact OH-OD2 3.28Å |
| 287 | F | 92.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -68 | -30.6 | 178.2 | -77.4 | -75.1 | 0 | 0 | 0 | 112.9 | W260 Q270 L272 V275 V283 G284 M290 G291 D683 A684 M687 | W260-F287 AromaticContact CH2-CD2 3.93Å; W260-F287 HydrophobicContact CH2-CD2 3.93Å; W260-F287 HydrophobicContact CH2-CE1 4.23Å; W260-F287 AromaticContact CH2-CE2 3.52Å; W260-F287 HydrophobicContact CH2-CE2 3.52Å; W260-F287 HydrophobicContact CH2-CG 4.45Å; W260-F287 AromaticContact CH2-CZ 3.68Å; W260-F287 HydrophobicContact CH2-CZ 3.68Å; W260-F287 HydrophobicContact CZ2-CB 4.42Å; W260-F287 AromaticContact CZ2-CD1 3.55Å; W260-F287 HydrophobicContact CZ2-CD1 3.55Å; W260-F287 AromaticContact CZ2-CD2 3.46Å; W260-F287 HydrophobicContact CZ2-CD2 3.46Å; W260-F287 VanDerWaalsContact CZ2-CD2 3.46Å; W260-F287 AromaticContact CZ2-CE1 3.47Å; W260-F287 HydrophobicContact CZ2-CE1 3.47Å; W260-F287 VanDerWaalsContact CZ2-CE1 3.47Å; W260-F287 AromaticContact CZ2-CE2 3.38Å; W260-F287 HydrophobicContact CZ2-CE2 3.38Å; W260-F287 AromaticContact CZ2-CG 3.54Å; W260-F287 HydrophobicContact CZ2-CG 3.54Å; W260-F287 AromaticContact CZ2-CZ 3.38Å; W260-F287 HydrophobicContact CZ2-CZ 3.38Å; Q270-F287 PolarHBondContact NE2-O 2.73Å; L272-F287 HydrophobicContact CD2-CB 4.06Å; V275-F287 HydrophobicContact CG1-CD2 3.91Å; V283-F287 HydrophobicContact CG1-CD2 3.76Å; V283-F287 HydrophobicContact CG1-CE2 3.65Å; V283-F287 WeakPolarHBondContact O-CD2 3.47Å; V283-F287 PolarHBondContact O-N 3.24Å; V283-F287 VanDerWaalsContact O-N 3.16Å; G284-F287 PolarHBondContact O-N 2.85Å; F287-M290 HydrophobicContact CD1-SD 4.08Å; F287-M290 HydrophobicContact CE1-SD 4.35Å; F287-G291 PolarHBondContact O-N 3.34Å; F287-D683 HydrophobicContact CE1-CB 4.12Å; F287-D683 HydrophobicContact CZ-CB 4.14Å; F287-A684 HydrophobicContact CE1-CB 4.14Å; F287-A684 HydrophobicContact CZ-CB 4.35Å; F287-M687 HydrophobicContact CE2-CG 3.97Å; F287-M687 HydrophobicContact CZ-CG 4.02Å |
| 288 | A | 92.7 | Very high | 92.2 | Very high | 4 Ų | 4 | 14.1 Ų | 14.1 | 3% | 0.033 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.6 | -44.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L272 G284 F285 Y286 F292 W387 L394 W398 | L272-A288 HydrophobicContact CD1-CB 3.95Å; L272-A288 HydrophobicContact CD2-CB 4.07Å; G284-A288 VanDerWaalsContact O-CB 3.31Å; G284-A288 WeakPolarHBondContact O-CB 3.41Å; G284-A288 PolarHBondContact O-N 3Å; F285-A288 PolarHBondContact O-N 2.87Å; Y286-A288 VanDerWaalsContact C-N 3.29Å; Y286-A288 PolarHBondContact O-N 3Å; A288-F292 WeakPolarHBondContact O-CB 3.37Å; A288-F292 PolarHBondContact O-N 2.86Å; A288-W387 HydrophobicContact CB-CH2 4.33Å; A288-L394 HydrophobicContact CB-CD1 3.56Å; A288-W398 HydrophobicContact CB-CH2 4.37Å |
| 289 | F | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.5 | -52.7 | 175.9 | 178.4 | -98.9 | 0 | 0 | 0 | 111.5 | F285 Y286 G291 F292 Y293 F383 W387 F648 M651 I701 F708 | F285-F289 WeakPolarHBondContact O-CB 3.38Å; F285-F289 PolarHBondContact O-N 3.28Å; Y286-F289 WeakPolarHBondContact O-CB 3.37Å; Y286-F289 PolarHBondContact O-N 3.13Å; Y286-F289 VanDerWaalsContact O-N 3.16Å; F289-G291 VanDerWaalsContact C-N 3.31Å; F289-G291 PolarHBondContact O-N 3.13Å; F289-F292 CarbonylContact O-C 3.59Å; F289-F292 WeakPolarHBondContact O-CA 3.45Å; F289-F292 WeakPolarHBondContact O-CB 3.49Å; F289-F292 PolarHBondContact O-N 3.1Å; F289-Y293 WeakPolarHBondContact O-CB 3.18Å; F289-Y293 PolarHBondContact O-N 2.87Å; F289-F383 HydrophobicContact CE2-CE1 4.43Å; F289-F383 AromaticContact CE2-CZ 3.79Å; F289-F383 HydrophobicContact CE2-CZ 3.79Å; F289-F383 HydrophobicContact CZ-CE1 4.45Å; F289-F383 AromaticContact CZ-CZ 3.78Å; F289-F383 HydrophobicContact CZ-CZ 3.78Å; F289-W387 HydrophobicContact CB-CH2 3.45Å; F289-W387 VanDerWaalsContact CB-CH2 3.45Å; F289-W387 HydrophobicContact CB-CZ2 3.71Å; F289-W387 HydrophobicContact CB-CZ3 3.94Å; F289-W387 AromaticContact CD2-CD2 3.57Å; F289-W387 HydrophobicContact CD2-CD2 3.57Å; F289-W387 AromaticContact CD2-CE2 3.46Å; F289-W387 VanDerWaalsContact CD2-CE2 3.46Å; F289-W387 AromaticContact CD2-CE3 3.88Å; F289-W387 HydrophobicContact CD2-CE3 3.88Å; F289-W387 HydrophobicContact CD2-CG 4.13Å; F289-W387 AromaticContact CD2-CH2 3.99Å; F289-W387 HydrophobicContact CD2-CH2 3.99Å; F289-W387 AromaticContact CD2-CZ2 3.68Å; F289-W387 HydrophobicContact CD2-CZ2 3.68Å; F289-W387 HydrophobicContact CD2-CZ3 4.09Å; F289-W387 AromaticContact CD2-NE1 3.89Å; F289-W387 HydrophobicContact CE2-CD2 4.15Å; F289-W387 HydrophobicContact CE2-CG 4.23Å; F289-W387 HydrophobicContact CG-CH2 4.24Å; F289-W387 HydrophobicContact CG-CZ2 4.17Å; F289-F648 HydrophobicContact CB-CE1 4.21Å; F289-F648 HydrophobicContact CD1-CD1 4.36Å; F289-F648 AromaticContact CD1-CE1 3.75Å; F289-F648 HydrophobicContact CD1-CE1 3.75Å; F289-F648 HydrophobicContact CE1-CE1 4.41Å; F289-F648 HydrophobicContact CG-CE1 4.02Å; F289-M651 HydrophobicContact CD1-CE 3.77Å; F289-M651 HydrophobicContact CD1-SD 3.89Å; F289-M651 HydrophobicContact CE1-CE 4.12Å; F289-M651 HydrophobicContact CE1-SD 4.1Å; F289-I701 HydrophobicContact CD2-CD1 4.05Å; F289-I701 HydrophobicContact CE2-CD1 4.25Å; F289-F708 HydrophobicContact CE1-CE1 4.48Å; F289-F708 AromaticContact CE1-CE2 3.86Å; F289-F708 HydrophobicContact CE1-CE2 3.86Å; F289-F708 AromaticContact CE1-CZ 3.56Å; F289-F708 HydrophobicContact CE1-CZ 3.56Å; F289-F708 HydrophobicContact CE2-CD2 4.39Å; F289-F708 AromaticContact CE2-CE2 3.88Å; F289-F708 HydrophobicContact CE2-CE2 3.88Å; F289-F708 HydrophobicContact CE2-CZ 4.17Å; F289-F708 HydrophobicContact CZ-CD2 4.13Å; F289-F708 AromaticContact CZ-CE1 3.86Å; F289-F708 HydrophobicContact CZ-CE1 3.86Å; F289-F708 AromaticContact CZ-CE2 3.3Å; F289-F708 HydrophobicContact CZ-CE2 3.3Å; F289-F708 AromaticContact CZ-CZ 3.16Å; F289-F708 HydrophobicContact CZ-CZ 3.16Å |
| 290 | M | 92.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.2 | -42.6 | -179.8 | -176.6 | -158.1 | -106.1 | 0 | 0 | 111.8 | Y286 F287 F292 Y293 T294 M651 E679 V680 D683 | Y286-M290 HydrophobicContact CE1-CE 4.02Å; Y286-M290 HydrophobicContact CE2-CE 4.26Å; Y286-M290 WeakPolarHBondContact O-CB 3.47Å; Y286-M290 PolarHBondContact O-N 2.93Å; Y286-M290 WeakPolarHBondContact OH-CE 3.28Å; F287-M290 HydrophobicContact CD1-SD 4.08Å; F287-M290 HydrophobicContact CE1-SD 4.35Å; M290-F292 VanDerWaalsContact C-N 3.34Å; M290-F292 PolarHBondContact O-N 2.87Å; M290-Y293 PolarHBondContact O-N 3.34Å; M290-T294 WeakPolarHBondContact O-CB 3.29Å; M290-T294 PolarHBondContact O-N 3.42Å; M290-T294 PolarHBondContact O-OG1 3.17Å; M290-M651 HydrophobicContact CB-SD 3.92Å; M290-M651 HydrophobicContact CG-SD 4.09Å; M290-E679 HydrophobicContact CE-CG 3.95Å; M290-V680 HydrophobicContact CG-CG2 3.56Å; M290-V680 WeakPolarHBondContact SD-CA 3.32Å; M290-V680 HydrophobicContact SD-CB 3.71Å; M290-V680 HydrophobicContact SD-CG1 4.17Å; M290-V680 HydrophobicContact SD-CG2 3.22Å; M290-V680 WeakPolarHBondContact SD-CG2 3.12Å; M290-D683 HydrophobicContact CE-CB 4.22Å; M290-D683 WeakPolarHBondContact CE-OD2 3.39Å |
| 291 | G | 90.3 | Very high | 93.3 | Very high | 10 Ų | 10 | 16.9 Ų | 16.9 | 10% | 0.103 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67.2 | -31.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | F287 F289 R295 | F287-G291 PolarHBondContact O-N 3.34Å; F289-G291 VanDerWaalsContact C-N 3.31Å; F289-G291 PolarHBondContact O-N 3.13Å; G291-R295 WeakPolarHBondContact O-CG 3.48Å; G291-R295 PolarHBondContact O-N 3.04Å; G291-R295 PolarHBondContact O-NE 3.29Å |
| 292 | F | 92.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.009 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -70.7 | -48.2 | 171.9 | 173.3 | -95.5 | 0 | 0 | 0 | 111.3 | F142 A288 F289 M290 T294 R295 M296 F383 F386 W387 | F142-F292 HydrophobicContact CE1-CE2 4.24Å; A288-F292 WeakPolarHBondContact O-CB 3.37Å; A288-F292 PolarHBondContact O-N 2.86Å; F289-F292 CarbonylContact O-C 3.59Å; F289-F292 WeakPolarHBondContact O-CA 3.45Å; F289-F292 WeakPolarHBondContact O-CB 3.49Å; F289-F292 PolarHBondContact O-N 3.1Å; M290-F292 VanDerWaalsContact C-N 3.34Å; M290-F292 PolarHBondContact O-N 2.87Å; F292-T294 PolarHBondContact O-N 3.47Å; F292-R295 PolarHBondContact O-N 2.96Å; F292-M296 HydrophobicContact CD1-CG 4.39Å; F292-M296 HydrophobicContact CD2-CG 4.45Å; F292-M296 HydrophobicContact CE1-CG 3.88Å; F292-M296 HydrophobicContact CE2-CG 3.94Å; F292-M296 HydrophobicContact CZ-CG 3.62Å; F292-M296 HydrophobicContact CZ-SD 4.35Å; F292-M296 PolarHBondContact O-N 2.75Å; F292-F383 HydrophobicContact CD1-CD2 4.14Å; F292-F383 AromaticContact CD1-CE2 3.64Å; F292-F383 HydrophobicContact CD1-CE2 3.64Å; F292-F383 HydrophobicContact CD1-CZ 4.41Å; F292-F383 AromaticContact CE1-CD2 3.43Å; F292-F383 HydrophobicContact CE1-CD2 3.43Å; F292-F383 VanDerWaalsContact CE1-CD2 3.43Å; F292-F383 AromaticContact CE1-CE2 3.37Å; F292-F383 HydrophobicContact CE1-CE2 3.37Å; F292-F383 HydrophobicContact CE1-CG 4.3Å; F292-F383 HydrophobicContact CE1-CZ 4.23Å; F292-F383 HydrophobicContact CZ-CD2 4.23Å; F292-F386 HydrophobicContact CE2-CB 4Å; F292-F386 HydrophobicContact CZ-CB 3.62Å; F292-W387 HydrophobicContact CB-CE3 3.92Å; F292-W387 HydrophobicContact CB-CZ3 3.96Å; F292-W387 HydrophobicContact CD1-CB 4.09Å; F292-W387 HydrophobicContact CD1-CD2 4.32Å; F292-W387 AromaticContact CD1-CE3 3.62Å; F292-W387 HydrophobicContact CD1-CE3 3.62Å; F292-W387 HydrophobicContact CD1-CZ3 4.48Å; F292-W387 HydrophobicContact CD2-CE3 4.47Å; F292-W387 HydrophobicContact CE1-CB 3.6Å; F292-W387 HydrophobicContact CE1-CE3 4.28Å; F292-W387 HydrophobicContact CE1-CG 4.46Å; F292-W387 AromaticContact CG-CE3 3.74Å; F292-W387 HydrophobicContact CG-CE3 3.74Å; F292-W387 HydrophobicContact CG-CZ3 4.29Å; F292-W387 HydrophobicContact CZ-CB 4.14Å |
| 293 | Y | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.5 | -46.5 | 179 | 179.1 | -138.9 | 0 | 0 | 0 | 112.4 | F289 M290 R295 M296 L297 W379 F383 F655 N676 | F289-Y293 WeakPolarHBondContact O-CB 3.18Å; F289-Y293 PolarHBondContact O-N 2.87Å; M290-Y293 PolarHBondContact O-N 3.34Å; Y293-R295 VanDerWaalsContact C-N 3.29Å; Y293-R295 PolarHBondContact O-N 3.19Å; Y293-M296 PolarHBondContact O-N 3.31Å; Y293-L297 HydrophobicContact CD1-CD1 4.47Å; Y293-L297 HydrophobicContact CD2-CD1 4.24Å; Y293-L297 HydrophobicContact CD2-CG 4.01Å; Y293-L297 HydrophobicContact CE1-CD1 4.08Å; Y293-L297 HydrophobicContact CE2-CD1 3.81Å; Y293-L297 HydrophobicContact CE2-CD2 3.73Å; Y293-L297 HydrophobicContact CE2-CG 3.64Å; Y293-L297 WeakPolarHBondContact O-CG 3.31Å; Y293-L297 PolarHBondContact O-N 3.02Å; Y293-W379 HydrophobicContact CE2-CH2 4.22Å; Y293-F383 AromaticContact CD2-CE2 3.68Å; Y293-F383 HydrophobicContact CD2-CE2 3.68Å; Y293-F383 AromaticContact CD2-CZ 3.84Å; Y293-F383 HydrophobicContact CD2-CZ 3.84Å; Y293-F383 HydrophobicContact CG-CE2 4.29Å; Y293-F383 HydrophobicContact CG-CZ 4.34Å; Y293-F655 AromaticContact CE2-CD2 3.78Å; Y293-F655 HydrophobicContact CE2-CD2 3.78Å; Y293-F655 WeakPolarHBondContact OH-CA 3.3Å; Y293-F655 PolarHBondContact OH-N 3.17Å; Y293-N676 WeakPolarHBondContact CD1-ND2 3.18Å; Y293-N676 VanDerWaalsContact CE1-ND2 3.29Å; Y293-N676 WeakPolarHBondContact CE1-ND2 3.34Å |
| 294 | T | 93 | Very high | 94 | Very high | 14 Ų | 14 | 18 Ų | 18 | 9% | 0.086 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -56.6 | -41.8 | 175.2 | -51.3 | 0 | 0 | 0 | 0 | 112.1 | M290 F292 L673 N676 L677 | M290-T294 WeakPolarHBondContact O-CB 3.29Å; M290-T294 PolarHBondContact O-N 3.42Å; M290-T294 PolarHBondContact O-OG1 3.17Å; F292-T294 PolarHBondContact O-N 3.47Å; T294-L673 HydrophobicContact CG2-CD1 3.88Å; T294-L673 VanDerWaalsContact O-CD1 3.26Å; T294-L673 WeakPolarHBondContact O-CD1 3.24Å; T294-N676 HydrophobicContact CG2-CB 4.04Å; T294-N676 WeakPolarHBondContact OG1-CB 3.4Å; T294-L677 HydrophobicContact CG2-CD2 3.93Å; T294-L677 HydrophobicContact CG2-CG 4.31Å |
| 295 | R | 90.8 | Very high | 94.1 | Very high | 100 Ų | 100 | 20.2 Ų | 20.2 | 38% | 0.377 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -70.1 | -41.9 | 178.3 | -74.4 | -179.6 | -70.2 | 151.7 | -0.6 | 112.3 | G291 F292 Y293 L297 I298 | G291-R295 WeakPolarHBondContact O-CG 3.48Å; G291-R295 PolarHBondContact O-N 3.04Å; G291-R295 PolarHBondContact O-NE 3.29Å; F292-R295 PolarHBondContact O-N 2.96Å; Y293-R295 VanDerWaalsContact C-N 3.29Å; Y293-R295 PolarHBondContact O-N 3.19Å; R295-L297 VanDerWaalsContact C-N 3.27Å; R295-L297 PolarHBondContact O-N 2.88Å; R295-I298 WeakPolarHBondContact O-CB 3.49Å; R295-I298 WeakPolarHBondContact O-CG1 3.46Å; R295-I298 PolarHBondContact O-N 2.74Å |
| 296 | M | 93.5 | Very high | 94.2 | Very high | 15 Ų | 15 | 25.3 Ų | 25.3 | 7% | 0.074 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.4 | -25.9 | 178.1 | -74.3 | -63.3 | -64.8 | 0 | 0 | 112.5 | F292 Y293 I298 P299 W379 I382 F383 F386 | F292-M296 HydrophobicContact CD1-CG 4.39Å; F292-M296 HydrophobicContact CD2-CG 4.45Å; F292-M296 HydrophobicContact CE1-CG 3.88Å; F292-M296 HydrophobicContact CE2-CG 3.94Å; F292-M296 HydrophobicContact CZ-CG 3.62Å; F292-M296 HydrophobicContact CZ-SD 4.35Å; F292-M296 PolarHBondContact O-N 2.75Å; Y293-M296 PolarHBondContact O-N 3.31Å; M296-I298 VanDerWaalsContact C-N 3.26Å; M296-I298 PolarHBondContact O-N 3.24Å; M296-P299 WeakPolarHBondContact O-CD 3.23Å; M296-P299 VanDerWaalsContact O-CG 3.24Å; M296-P299 WeakPolarHBondContact O-CG 3.5Å; M296-W379 HydrophobicContact CB-CZ2 3.95Å; M296-W379 WeakPolarHBondContact O-CZ2 3.45Å; M296-W379 PolarHBondContact O-NE1 3.29Å; M296-I382 HydrophobicContact CE-CG2 4.15Å; M296-F383 HydrophobicContact CB-CD2 3.77Å; M296-F383 HydrophobicContact CB-CE2 4.33Å; M296-F383 HydrophobicContact CE-CB 4.26Å; M296-F383 HydrophobicContact CG-CD2 3.95Å; M296-F386 HydrophobicContact CE-CD2 4.38Å; M296-F386 HydrophobicContact SD-CD2 4.47Å |
| 297 | L | 95.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.1 | -23.2 | 173.9 | -78.5 | 173.1 | 0 | 0 | 0 | 113.6 | Y293 R295 A300 A301 W379 P669 C672 L673 N676 | Y293-L297 HydrophobicContact CD1-CD1 4.47Å; Y293-L297 HydrophobicContact CD2-CD1 4.24Å; Y293-L297 HydrophobicContact CD2-CG 4.01Å; Y293-L297 HydrophobicContact CE1-CD1 4.08Å; Y293-L297 HydrophobicContact CE2-CD1 3.81Å; Y293-L297 HydrophobicContact CE2-CD2 3.73Å; Y293-L297 HydrophobicContact CE2-CG 3.64Å; Y293-L297 WeakPolarHBondContact O-CG 3.31Å; Y293-L297 PolarHBondContact O-N 3.02Å; R295-L297 VanDerWaalsContact C-N 3.27Å; R295-L297 PolarHBondContact O-N 2.88Å; L297-A300 PolarHBondContact O-N 2.97Å; L297-A301 WeakPolarHBondContact O-CB 3.41Å; L297-A301 PolarHBondContact O-N 3.46Å; L297-W379 HydrophobicContact CD2-CH2 4.2Å; L297-W379 HydrophobicContact CD2-CZ2 4.28Å; L297-P669 HydrophobicContact CD2-CB 4.23Å; L297-C672 HydrophobicContact CD1-CB 4.25Å; L297-L673 HydrophobicContact CB-CB 4.29Å; L297-L673 HydrophobicContact CB-CD1 4.13Å; L297-N676 VanDerWaalsContact CD1-ND2 3.28Å; L297-N676 WeakPolarHBondContact CD1-ND2 3.46Å |
| 298 | I | 94.7 | Very high | 94.3 | Very high | 86 Ų | 86 | 26 Ų | 26 | 44% | 0.441 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -55.5 | -56.2 | -179 | -61 | 171.7 | 0 | 0 | 0 | 112.1 | R295 M296 A300 A301 V302 L673 | R295-I298 WeakPolarHBondContact O-CB 3.49Å; R295-I298 WeakPolarHBondContact O-CG1 3.46Å; R295-I298 PolarHBondContact O-N 2.74Å; M296-I298 VanDerWaalsContact C-N 3.26Å; M296-I298 PolarHBondContact O-N 3.24Å; I298-A300 VanDerWaalsContact C-N 3.29Å; I298-A300 PolarHBondContact O-N 3.26Å; I298-A301 PolarHBondContact O-N 3.38Å; I298-V302 WeakPolarHBondContact O-CG2 3.37Å; I298-V302 PolarHBondContact O-N 3.41Å; I298-L673 HydrophobicContact CG1-CD1 4.07Å; I298-L673 HydrophobicContact CG1-CD2 4.23Å |
| 299 | P | 95.3 | Very high | 94.3 | Very high | 58 Ų | 58 | 30 Ų | 30 | 38% | 0.377 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -61.9 | -34.2 | 178.3 | 23.6 | -35.6 | 0 | 0 | 0 | 113.2 | M296 V302 A303 F375 | M296-P299 WeakPolarHBondContact O-CD 3.23Å; M296-P299 VanDerWaalsContact O-CG 3.24Å; M296-P299 WeakPolarHBondContact O-CG 3.5Å; P299-V302 PolarHBondContact O-N 3.06Å; P299-A303 WeakPolarHBondContact O-CB 3.32Å; P299-A303 PolarHBondContact O-N 3.18Å; P299-F375 HydrophobicContact CB-CZ 4.33Å |
| 300 | A | 96.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.1 | -40 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L297 I298 A303 G304 F375 I376 W379 P669 | L297-A300 PolarHBondContact O-N 2.97Å; I298-A300 VanDerWaalsContact C-N 3.29Å; I298-A300 PolarHBondContact O-N 3.26Å; A300-A303 PolarHBondContact O-N 3.46Å; A300-G304 PolarHBondContact O-N 3.46Å; A300-F375 HydrophobicContact CB-CE1 4.34Å; A300-I376 HydrophobicContact CB-CD1 4Å; A300-W379 HydrophobicContact CB-CD2 4.42Å; A300-W379 HydrophobicContact CB-CZ2 4.49Å; A300-P669 HydrophobicContact CB-CB 3.84Å; A300-P669 HydrophobicContact CB-CG 4.15Å |
| 301 | A | 96.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 3% | 0.033 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.2 | -41.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L297 I298 G304 V305 P669 L670 L673 | L297-A301 WeakPolarHBondContact O-CB 3.41Å; L297-A301 PolarHBondContact O-N 3.46Å; I298-A301 PolarHBondContact O-N 3.38Å; A301-G304 PolarHBondContact O-N 3.34Å; A301-V305 WeakPolarHBondContact O-CB 3.31Å; A301-V305 VanDerWaalsContact O-CG2 3.28Å; A301-V305 WeakPolarHBondContact O-CG2 3.31Å; A301-V305 PolarHBondContact O-N 2.95Å; A301-P669 HydrophobicContact CB-CB 4.42Å; A301-L670 HydrophobicContact CB-CB 4.11Å; A301-L670 HydrophobicContact CB-CD1 4.24Å; A301-L673 HydrophobicContact CB-CD2 3.95Å |
| 302 | V | 96.9 | Very high | 94.5 | Very high | 79 Ų | 79 | 37.6 Ų | 37.6 | 48% | 0.479 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63 | -46.8 | 175.8 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | I298 P299 G304 V305 M306 | I298-V302 WeakPolarHBondContact O-CG2 3.37Å; I298-V302 PolarHBondContact O-N 3.41Å; P299-V302 PolarHBondContact O-N 3.06Å; V302-G304 PolarHBondContact O-N 2.83Å; V302-V305 PolarHBondContact O-N 3.11Å; V302-M306 HydrophobicContact CG1-CE 4.05Å; V302-M306 HydrophobicContact CG1-SD 4.38Å; V302-M306 WeakPolarHBondContact O-CG 3.3Å; V302-M306 PolarHBondContact O-N 3.4Å |
| 303 | A | 96.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 3% | 0.025 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.8 | -46.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P299 A300 V305 M306 V307 M372 F375 | P299-A303 WeakPolarHBondContact O-CB 3.32Å; P299-A303 PolarHBondContact O-N 3.18Å; A300-A303 PolarHBondContact O-N 3.46Å; A303-V305 PolarHBondContact O-N 3.25Å; A303-M306 HydrophobicContact CB-CE 4.48Å; A303-M306 PolarHBondContact O-N 2.91Å; A303-V307 WeakPolarHBondContact O-CG2 3.42Å; A303-V307 PolarHBondContact O-N 2.97Å; A303-M372 HydrophobicContact CB-SD 4.12Å; A303-F375 HydrophobicContact CB-CD1 3.92Å; A303-F375 HydrophobicContact CB-CE1 3.82Å; A303-F375 HydrophobicContact CB-CG 4.37Å; A303-F375 HydrophobicContact CB-CZ 4.15Å |
| 304 | G | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.1 | -46.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A300 A301 V302 M306 V307 T308 P666 | A300-G304 PolarHBondContact O-N 3.46Å; A301-G304 PolarHBondContact O-N 3.34Å; V302-G304 PolarHBondContact O-N 2.83Å; G304-M306 PolarHBondContact O-N 3.03Å; G304-V307 PolarHBondContact O-N 3.07Å; G304-T308 PolarHBondContact O-N 3.47Å; G304-T308 PolarHBondContact O-OG1 2.64Å; G304-P666 WeakPolarHBondContact CA-O 3.38Å |
| 305 | V | 95.7 | Very high | 94.3 | Very high | 45 Ų | 45 | 46.9 Ų | 46.9 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.6 | -42.9 | 176.3 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | A301 V302 A303 V307 T308 L309 L667 L670 | A301-V305 WeakPolarHBondContact O-CB 3.31Å; A301-V305 VanDerWaalsContact O-CG2 3.28Å; A301-V305 WeakPolarHBondContact O-CG2 3.31Å; A301-V305 PolarHBondContact O-N 2.95Å; V302-V305 PolarHBondContact O-N 3.11Å; A303-V305 PolarHBondContact O-N 3.25Å; V305-V307 PolarHBondContact O-N 3.15Å; V305-T308 PolarHBondContact O-N 3.42Å; V305-L309 HydrophobicContact CG1-CD1 3.66Å; V305-L309 HydrophobicContact CG1-CG 4.12Å; V305-L309 VanDerWaalsContact O-CB 3.31Å; V305-L309 WeakPolarHBondContact O-CB 3.24Å; V305-L309 WeakPolarHBondContact O-CG 3.43Å; V305-L309 PolarHBondContact O-N 2.81Å; V305-L667 HydrophobicContact CG2-CD2 4.03Å; V305-L670 HydrophobicContact CG2-CD2 3.78Å |
| 306 | M | 95.2 | Very high | 94.2 | Very high | 109 Ų | 109 | 47 Ų | 47 | 54% | 0.537 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 177.7 | -72.2 | -173.7 | -60.2 | 0 | 0 | 112.2 | V302 A303 G304 L309 F310 | V302-M306 HydrophobicContact CG1-CE 4.05Å; V302-M306 HydrophobicContact CG1-SD 4.38Å; V302-M306 WeakPolarHBondContact O-CG 3.3Å; V302-M306 PolarHBondContact O-N 3.4Å; A303-M306 HydrophobicContact CB-CE 4.48Å; A303-M306 PolarHBondContact O-N 2.91Å; G304-M306 PolarHBondContact O-N 3.03Å; M306-L309 PolarHBondContact O-N 3.23Å; M306-F310 WeakPolarHBondContact O-CB 3.38Å; M306-F310 PolarHBondContact O-N 3.16Å |
| 307 | V | 94.4 | Very high | 93.9 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 4% | 0.036 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 179.1 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | A303 G304 V305 F310 G311 A368 F371 M372 P666 | A303-V307 WeakPolarHBondContact O-CG2 3.42Å; A303-V307 PolarHBondContact O-N 2.97Å; G304-V307 PolarHBondContact O-N 3.07Å; V305-V307 PolarHBondContact O-N 3.15Å; V307-F310 WeakPolarHBondContact O-CB 3.44Å; V307-F310 PolarHBondContact O-N 3.34Å; V307-G311 PolarHBondContact O-N 3.17Å; V307-A368 HydrophobicContact CG1-CB 4.09Å; V307-A368 HydrophobicContact CG2-CB 4.24Å; V307-F371 HydrophobicContact CG2-CD1 4.28Å; V307-M372 HydrophobicContact CG2-CB 4.22Å; V307-P666 HydrophobicContact CG1-CB 4.35Å; V307-P666 HydrophobicContact CG1-CG 4.22Å |
| 308 | T | 93.4 | Very high | 93.6 | Very high | 8 Ų | 8 | 54 Ų | 54 | 5% | 0.049 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67 | -40.9 | 175.9 | -57.1 | 0 | 0 | 0 | 0 | 112 | G304 V305 F310 G311 L312 V363 L667 | G304-T308 PolarHBondContact O-N 3.47Å; G304-T308 PolarHBondContact O-OG1 2.64Å; V305-T308 PolarHBondContact O-N 3.42Å; T308-F310 VanDerWaalsContact C-N 3.33Å; T308-F310 PolarHBondContact O-N 3.25Å; T308-G311 PolarHBondContact O-N 3.01Å; T308-L312 HydrophobicContact CG2-CD1 4.25Å; T308-L312 HydrophobicContact CG2-CG 4.42Å; T308-L312 WeakPolarHBondContact O-CG 3.4Å; T308-L312 PolarHBondContact O-N 3.13Å; T308-V363 HydrophobicContact CG2-CG1 4.12Å; T308-L667 HydrophobicContact CG2-CD1 4.05Å; T308-L667 HydrophobicContact CG2-CD2 4.35Å; T308-L667 HydrophobicContact CG2-CG 4.19Å; T308-L667 WeakPolarHBondContact OG1-CG 3.41Å |
| 309 | L | 94.2 | Very high | 93.3 | Very high | 90 Ų | 90 | 52.2 Ų | 52.2 | 47% | 0.471 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 174.6 | -74.2 | 173 | 0 | 0 | 0 | 111.5 | V305 M306 G311 L312 L313 | V305-L309 HydrophobicContact CG1-CD1 3.66Å; V305-L309 HydrophobicContact CG1-CG 4.12Å; V305-L309 VanDerWaalsContact O-CB 3.31Å; V305-L309 WeakPolarHBondContact O-CB 3.24Å; V305-L309 WeakPolarHBondContact O-CG 3.43Å; V305-L309 PolarHBondContact O-N 2.81Å; M306-L309 PolarHBondContact O-N 3.23Å; L309-G311 VanDerWaalsContact C-N 3.34Å; L309-G311 PolarHBondContact O-N 3.3Å; L309-L312 HydrophobicContact CD2-CD1 4.46Å; L309-L312 PolarHBondContact O-N 3.35Å; L309-L313 WeakPolarHBondContact O-CB 3.45Å; L309-L313 VanDerWaalsContact O-CG 3.25Å; L309-L313 WeakPolarHBondContact O-CG 3.29Å; L309-L313 PolarHBondContact O-N 3.48Å |
| 310 | F | 94.4 | Very high | 93 | Very high | 88 Ų | 88 | 50 Ų | 50 | 39% | 0.386 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.3 | -46.3 | 173.3 | 176.9 | -92.7 | 0 | 0 | 0 | 111.6 | M306 V307 T308 L313 N314 A368 | M306-F310 WeakPolarHBondContact O-CB 3.38Å; M306-F310 PolarHBondContact O-N 3.16Å; V307-F310 WeakPolarHBondContact O-CB 3.44Å; V307-F310 PolarHBondContact O-N 3.34Å; T308-F310 VanDerWaalsContact C-N 3.33Å; T308-F310 PolarHBondContact O-N 3.25Å; F310-L313 PolarHBondContact O-N 3.23Å; F310-N314 WeakPolarHBondContact CD2-ND2 3.15Å; F310-N314 WeakPolarHBondContact CE2-ND2 3.3Å; F310-N314 VanDerWaalsContact CZ-ND2 3.25Å; F310-N314 WeakPolarHBondContact CZ-ND2 2.81Å; F310-N314 WeakPolarHBondContact O-CB 3.47Å; F310-N314 PolarHBondContact O-N 3.13Å; F310-N314 VanDerWaalsContact O-N 3.13Å; F310-N314 PolarHBondContact O-ND2 3.28Å; F310-A368 HydrophobicContact CD1-CB 3.87Å; F310-A368 HydrophobicContact CE1-CB 4.21Å; F310-A368 HydrophobicContact CG-CB 4.46Å |
| 311 | G | 92.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V307 T308 L309 L313 N314 M315 N366 | V307-G311 PolarHBondContact O-N 3.17Å; T308-G311 PolarHBondContact O-N 3.01Å; L309-G311 VanDerWaalsContact C-N 3.34Å; L309-G311 PolarHBondContact O-N 3.3Å; G311-L313 PolarHBondContact O-N 3.26Å; G311-N314 PolarHBondContact O-N 2.99Å; G311-M315 WeakPolarHBondContact O-CB 3.44Å; G311-M315 PolarHBondContact O-N 3.16Å; G311-N366 WeakPolarHBondContact CA-ND2 3.2Å |
| 312 | L | 93 | Very high | 92.3 | Very high | 80 Ų | 80 | 54.7 Ų | 54.7 | 42% | 0.419 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63 | -42 | 178.4 | -72.8 | 172.3 | 0 | 0 | 0 | 112.7 | T308 L309 M315 V363 | T308-L312 HydrophobicContact CG2-CD1 4.25Å; T308-L312 HydrophobicContact CG2-CG 4.42Å; T308-L312 WeakPolarHBondContact O-CG 3.4Å; T308-L312 PolarHBondContact O-N 3.13Å; L309-L312 HydrophobicContact CD2-CD1 4.46Å; L309-L312 PolarHBondContact O-N 3.35Å; L312-M315 HydrophobicContact CB-CE 4.25Å; L312-M315 HydrophobicContact CD2-CE 3.45Å; L312-M315 VanDerWaalsContact CD2-CE 3.45Å; L312-M315 HydrophobicContact CG-CE 4.42Å; L312-M315 WeakPolarHBondContact O-CE 3.49Å; L312-V363 HydrophobicContact CD2-CG1 3.75Å; L312-V363 HydrophobicContact CD2-CG2 3.92Å; L312-V363 HydrophobicContact CG-CG1 3.92Å |
| 313 | L | 93.9 | Very high | 91.9 | Very high | 135 Ų | 135 | 51.9 Ų | 51.9 | 71% | 0.707 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -72.9 | -27.7 | -178.8 | -67.7 | 172.5 | 0 | 0 | 0 | 112.9 | L309 F310 G311 | L309-L313 WeakPolarHBondContact O-CB 3.45Å; L309-L313 VanDerWaalsContact O-CG 3.25Å; L309-L313 WeakPolarHBondContact O-CG 3.29Å; L309-L313 PolarHBondContact O-N 3.48Å; F310-L313 PolarHBondContact O-N 3.23Å; G311-L313 PolarHBondContact O-N 3.26Å |
| 314 | N | 93.1 | Very high | 91.6 | Very high | 36 Ų | 36 | 51.8 Ų | 51.8 | 19% | 0.193 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -103.4 | -3.4 | -176.4 | -68.4 | -39.9 | 0 | 0 | 0 | 114.7 | F310 G311 N316 K317 D318 Y362 | F310-N314 WeakPolarHBondContact CD2-ND2 3.15Å; F310-N314 WeakPolarHBondContact CE2-ND2 3.3Å; F310-N314 VanDerWaalsContact CZ-ND2 3.25Å; F310-N314 WeakPolarHBondContact CZ-ND2 2.81Å; F310-N314 WeakPolarHBondContact O-CB 3.47Å; F310-N314 PolarHBondContact O-N 3.13Å; F310-N314 VanDerWaalsContact O-N 3.13Å; F310-N314 PolarHBondContact O-ND2 3.28Å; G311-N314 PolarHBondContact O-N 2.99Å; N314-N316 PolarHBondContact O-N 3.19Å; N314-K317 PolarHBondContact O-N 2.78Å; N314-D318 PolarHBondContact O-N 3.28Å; N314-Y362 HydrophobicContact CB-CE1 4.03Å; N314-Y362 WeakPolarHBondContact CB-OH 3.44Å |
| 315 | M | 89.6 | Confident | 91.4 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 20% | 0.197 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -29.1 | -176.4 | 74.6 | 169.7 | 78.9 | 0 | 0 | 114.7 | G311 L312 K317 K359 Y362 V363 | G311-M315 WeakPolarHBondContact O-CB 3.44Å; G311-M315 PolarHBondContact O-N 3.16Å; L312-M315 HydrophobicContact CB-CE 4.25Å; L312-M315 HydrophobicContact CD2-CE 3.45Å; L312-M315 VanDerWaalsContact CD2-CE 3.45Å; L312-M315 HydrophobicContact CG-CE 4.42Å; L312-M315 WeakPolarHBondContact O-CE 3.49Å; M315-K317 VanDerWaalsContact C-N 3.33Å; M315-K359 HydrophobicContact SD-CD 4.29Å; M315-Y362 HydrophobicContact CB-CD1 3.99Å; M315-Y362 HydrophobicContact CB-CE1 4.46Å; M315-V363 HydrophobicContact CB-CG2 4.14Å; M315-V363 HydrophobicContact CE-CG2 3.56Å; M315-V363 HydrophobicContact SD-CG2 4.44Å |
| 316 | N | 88 | Confident | 91.2 | Very high | 102 Ų | 102 | 54.3 Ų | 54.3 | 55% | 0.545 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -0.2 | 179.8 | -66.8 | -36 | 0 | 0 | 0 | 112.9 | N314 K359 | N314-N316 PolarHBondContact O-N 3.19Å; N316-K359 PolarHBondContact OD1-NZ 2.89Å |
| 317 | K | 88.7 | Confident | 91 | Very high | 151 Ų | 151 | 52.8 Ų | 52.8 | 66% | 0.657 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | -2.3 | 177.6 | -61.2 | -179.9 | -178.5 | 173.5 | 0 | 112.7 | N314 M315 D319 | N314-K317 PolarHBondContact O-N 2.78Å; M315-K317 VanDerWaalsContact C-N 3.33Å; K317-D319 PolarHBondContact O-N 3.12Å |
| 318 | D | 87.9 | Confident | 90.7 | Very high | 13 Ų | 13 | 60.8 Ų | 60.8 | 7% | 0.07 | 31% | 0.31 | C | S | . | . | trans | -74.6 | 122 | 177.8 | 178 | 67.6 | 0 | 0 | 0 | 109.9 | N314 V320 A321 M322 Y362 K732 | N314-D318 PolarHBondContact O-N 3.28Å; D318-V320 PolarHBondContact O-N 2.85Å; D318-V320 WeakPolarHBondContact OD2-CB 3.24Å; D318-V320 PolarHBondContact OD2-N 3.43Å; D318-A321 HydrophobicContact CB-CB 3.98Å; D318-A321 PolarHBondContact O-N 3.28Å; D318-A321 WeakPolarHBondContact OD2-CB 3.43Å; D318-A321 PolarHBondContact OD2-N 3.12Å; D318-M322 WeakPolarHBondContact O-CB 3.37Å; D318-M322 WeakPolarHBondContact O-CG 3.36Å; D318-M322 PolarHBondContact O-N 2.81Å; D318-Y362 HydrophobicContact CB-CD1 4.43Å; D318-Y362 HydrophobicContact CB-CD2 3.64Å; D318-Y362 HydrophobicContact CB-CE1 4.33Å; D318-Y362 HydrophobicContact CB-CE2 3.51Å; D318-Y362 HydrophobicContact CB-CG 4.1Å; D318-Y362 VanDerWaalsContact CG-CE2 3.41Å; D318-Y362 WeakPolarHBondContact OD1-CD2 3.46Å; D318-Y362 WeakPolarHBondContact OD1-CE2 3.45Å; D318-K732 IonicContact OD1-NZ 3.83Å | ||
| 319 | D | 88.9 | Confident | 90.5 | Very high | 48 Ų | 48 | 61.2 Ų | 61.2 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -52.6 | -42.9 | -179.5 | -64.7 | -21.1 | 0 | 0 | 0 | 111.7 | K317 M322 D323 F745 L746 | K317-D319 PolarHBondContact O-N 3.12Å; D319-M322 PolarHBondContact O-N 2.85Å; D319-D323 WeakPolarHBondContact O-CB 3.48Å; D319-D323 PolarHBondContact O-N 3.03Å; D319-F745 HydrophobicContact CB-CB 4Å; D319-F745 PolarHBondContact OD2-N 3.27Å; D319-L746 HydrophobicContact CB-CD2 4.02Å; D319-L746 HydrophobicContact CB-CG 4.17Å |
| 320 | V | 88.2 | Confident | 90.1 | Very high | 11 Ų | 11 | 59.9 Ų | 59.9 | 7% | 0.067 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -71 | -44.4 | -176.4 | -175 | 0 | 0 | 0 | 0 | 110.9 | D318 M322 D323 V324 F745 F748 A749 | D318-V320 PolarHBondContact O-N 2.85Å; D318-V320 WeakPolarHBondContact OD2-CB 3.24Å; D318-V320 PolarHBondContact OD2-N 3.43Å; V320-M322 VanDerWaalsContact C-N 3.33Å; V320-D323 PolarHBondContact O-N 3.37Å; V320-V324 HydrophobicContact CG1-CG2 4.49Å; V320-V324 WeakPolarHBondContact O-CB 3.48Å; V320-V324 VanDerWaalsContact O-CG2 3.27Å; V320-V324 WeakPolarHBondContact O-CG2 3.35Å; V320-V324 PolarHBondContact O-N 3.4Å; V320-F745 HydrophobicContact CG2-CB 3.73Å; V320-F748 HydrophobicContact CG1-CD1 4.17Å; V320-F748 HydrophobicContact CG2-CB 4.12Å; V320-F748 HydrophobicContact CG2-CD1 3.94Å; V320-F748 HydrophobicContact CG2-CG 4.4Å; V320-A749 HydrophobicContact CG1-CB 4.32Å |
| 321 | A | 88.2 | Confident | 89.7 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63 | -40.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D318 C325 T358 K359 | D318-A321 HydrophobicContact CB-CB 3.98Å; D318-A321 PolarHBondContact O-N 3.28Å; D318-A321 WeakPolarHBondContact OD2-CB 3.43Å; D318-A321 PolarHBondContact OD2-N 3.12Å; A321-C325 WeakPolarHBondContact O-CB 3.46Å; A321-C325 PolarHBondContact O-N 2.75Å; A321-C325 PolarHBondContact O-SG 3.45Å; A321-T358 HydrophobicContact CB-CG2 4.27Å; A321-K359 HydrophobicContact CB-CG 4.27Å |
| 322 | M | 90.1 | Very high | 89.4 | Confident | 105 Ų | 105 | 55.8 Ų | 55.8 | 52% | 0.517 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.8 | -47.6 | 176.1 | -73.1 | -177.8 | 62.4 | 0 | 0 | 111.8 | D318 D319 V320 V324 C325 D326 | D318-M322 WeakPolarHBondContact O-CB 3.37Å; D318-M322 WeakPolarHBondContact O-CG 3.36Å; D318-M322 PolarHBondContact O-N 2.81Å; D319-M322 PolarHBondContact O-N 2.85Å; V320-M322 VanDerWaalsContact C-N 3.33Å; M322-V324 VanDerWaalsContact C-N 3.35Å; M322-V324 PolarHBondContact O-N 2.77Å; M322-C325 PolarHBondContact O-N 3.34Å; M322-D326 WeakPolarHBondContact O-CB 3.3Å; M322-D326 PolarHBondContact O-N 3.29Å |
| 323 | D | 89.2 | Confident | 89.2 | Confident | 20 Ų | 20 | 56.5 Ų | 56.5 | 11% | 0.107 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 179.3 | -162 | 14.2 | 0 | 0 | 0 | 110.7 | D319 V320 S329 P331 G747 | D319-D323 WeakPolarHBondContact O-CB 3.48Å; D319-D323 PolarHBondContact O-N 3.03Å; V320-D323 PolarHBondContact O-N 3.37Å; D323-S329 WeakPolarHBondContact O-CB 3.42Å; D323-S329 PolarHBondContact O-OG 3.34Å; D323-S329 VanDerWaalsContact OD1-CB 3.29Å; D323-S329 WeakPolarHBondContact OD1-CB 3.43Å; D323-S329 PolarHBondContact OD1-OG 2.79Å; D323-P331 HydrophobicContact CB-CG 4.1Å; D323-P331 WeakPolarHBondContact OD1-CD 3.32Å; D323-P331 WeakPolarHBondContact OD1-CG 3.39Å; D323-P331 WeakPolarHBondContact OD2-CG 3.45Å; D323-G747 WeakPolarHBondContact OD2-CA 3.43Å; D323-G747 PolarHBondContact OD2-N 3.08Å |
| 324 | V | 89.5 | Confident | 89 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.2 | -40.6 | 176.8 | 172.4 | 0 | 0 | 0 | 0 | 112.6 | V320 M322 F350 A351 T358 A749 | V320-V324 HydrophobicContact CG1-CG2 4.49Å; V320-V324 WeakPolarHBondContact O-CB 3.48Å; V320-V324 VanDerWaalsContact O-CG2 3.27Å; V320-V324 WeakPolarHBondContact O-CG2 3.35Å; V320-V324 PolarHBondContact O-N 3.4Å; M322-V324 VanDerWaalsContact C-N 3.35Å; M322-V324 PolarHBondContact O-N 2.77Å; V324-F350 HydrophobicContact CB-CE1 4.3Å; V324-F350 HydrophobicContact CB-CZ 4.15Å; V324-F350 HydrophobicContact CG1-CD1 4.13Å; V324-F350 HydrophobicContact CG1-CD2 3.71Å; V324-F350 HydrophobicContact CG1-CE1 3.9Å; V324-F350 HydrophobicContact CG1-CE2 3.4Å; V324-F350 HydrophobicContact CG1-CG 4.03Å; V324-F350 HydrophobicContact CG1-CZ 3.49Å; V324-F350 VanDerWaalsContact CG1-CZ 3.49Å; V324-F350 HydrophobicContact CG2-CD1 4.27Å; V324-F350 HydrophobicContact CG2-CE1 3.49Å; V324-F350 VanDerWaalsContact CG2-CE1 3.49Å; V324-F350 HydrophobicContact CG2-CE2 4.26Å; V324-F350 HydrophobicContact CG2-CZ 3.46Å; V324-F350 VanDerWaalsContact CG2-CZ 3.46Å; V324-A351 WeakPolarHBondContact O-CA 3.47Å; V324-A351 WeakPolarHBondContact O-CB 3.42Å; V324-T358 HydrophobicContact CB-CG2 4.41Å; V324-T358 HydrophobicContact CG2-CG2 4.37Å; V324-A749 HydrophobicContact CG2-CB 3.75Å |
| 325 | C | 90.9 | Very high | 88.8 | Confident | 29 Ų | 29 | 51.3 Ų | 51.3 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -78.1 | -17.2 | -174.6 | -70.2 | 0 | 0 | 0 | 0 | 114.1 | A321 M322 P327 C355 K359 | A321-C325 WeakPolarHBondContact O-CB 3.46Å; A321-C325 PolarHBondContact O-N 2.75Å; A321-C325 PolarHBondContact O-SG 3.45Å; M322-C325 PolarHBondContact O-N 3.34Å; C325-P327 VanDerWaalsContact O-CD 3.32Å; C325-P327 WeakPolarHBondContact O-CD 3.46Å; C325-C355 HydrophobicContact CB-CB 3.87Å; C325-C355 WeakPolarHBondContact CB-SG 3.5Å; C325-C355 WeakPolarHBondContact SG-CA 3.4Å; C325-C355 WeakPolarHBondContact SG-CB 3.33Å; C325-C355 CovalentContact SG-SG 2.03Å; C325-C355 PolarHBondContact SG-SG 3.44Å; C325-K359 VanDerWaalsContact SG-CE 3.54Å |
| 326 | D | 91.7 | Very high | 88.6 | Confident | 69 Ų | 69 | 49.7 Ų | 49.7 | 37% | 0.369 | 27% | 0.265 | S | S | . | . | trans | -81.6 | 113.8 | 177.2 | -179.7 | 6.6 | 0 | 0 | 0 | 110.9 | M322 H328 S329 G332 | M322-D326 WeakPolarHBondContact O-CB 3.3Å; M322-D326 PolarHBondContact O-N 3.29Å; D326-H328 PolarHBondContact O-N 3.35Å; D326-H328 VanDerWaalsContact O-N 3.13Å; D326-H328 WeakPolarHBondContact OD1-CB 3.44Å; D326-H328 IonicContact OD1-CD2 3.63Å; D326-H328 IonicContact OD1-CG 2.71Å; D326-H328 PolarHBondContact OD1-N 3.2Å; D326-S329 PolarHBondContact O-N 2.9Å; D326-S329 PolarHBondContact O-OG 3.37Å; D326-G332 WeakPolarHBondContact O-CA 3.48Å | ||
| 327 | P | 90 | Very high | 88.3 | Confident | 77 Ų | 77 | 45.1 Ų | 45.1 | 50% | 0.5 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -17.6 | 178.4 | -20.1 | 33.8 | 0 | 0 | 0 | 114.4 | C325 A351 | C325-P327 VanDerWaalsContact O-CD 3.32Å; C325-P327 WeakPolarHBondContact O-CD 3.46Å; P327-A351 HydrophobicContact CB-CB 4.39Å; P327-A351 HydrophobicContact CG-CB 4.27Å |
| 328 | H | 89.8 | Confident | 87.7 | Confident | 174 Ų | 174 | 38.5 Ų | 38.5 | 81% | 0.806 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -13.4 | -179.7 | -62.8 | -63.7 | 0 | 0 | 0 | 113.6 | D326 | D326-H328 PolarHBondContact O-N 3.35Å; D326-H328 VanDerWaalsContact O-N 3.13Å; D326-H328 WeakPolarHBondContact OD1-CB 3.44Å; D326-H328 IonicContact OD1-CD2 3.63Å; D326-H328 IonicContact OD1-CG 2.71Å; D326-H328 PolarHBondContact OD1-N 3.2Å |
| 329 | S | 88.2 | Confident | 87 | Confident | 16 Ų | 16 | 39.4 Ų | 39.4 | 11% | 0.112 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -69.2 | 160.4 | 174.5 | 77.3 | 0 | 0 | 0 | 0 | 110.7 | D323 D326 P331 G332 N333 | D323-S329 WeakPolarHBondContact O-CB 3.42Å; D323-S329 PolarHBondContact O-OG 3.34Å; D323-S329 VanDerWaalsContact OD1-CB 3.29Å; D323-S329 WeakPolarHBondContact OD1-CB 3.43Å; D323-S329 PolarHBondContact OD1-OG 2.79Å; D326-S329 PolarHBondContact O-N 2.9Å; D326-S329 PolarHBondContact O-OG 3.37Å; S329-P331 WeakPolarHBondContact OG-CD 3.39Å; S329-G332 PolarHBondContact O-N 3.46Å; S329-G332 PolarHBondContact OG-N 2.96Å; S329-N333 PolarHBondContact O-N 3.13Å |
| 330 | S | 85.7 | Confident | 86.2 | Confident | 63 Ų | 63 | 37.6 Ų | 37.6 | 44% | 0.441 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -56.6 | 173.8 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | G332 L334 E750 | S330-G332 PolarHBondContact O-N 2.78Å; S330-L334 WeakPolarHBondContact O-CG 3.38Å; S330-E750 WeakPolarHBondContact CB-OE2 3.15Å; S330-E750 VanDerWaalsContact OG-CD 3.27Å; S330-E750 PolarHBondContact OG-OE2 3.39Å |
| 331 | P | 86.3 | Confident | 85.2 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -33.7 | -178.4 | 25.8 | -33.2 | 0 | 0 | 0 | 114.2 | D323 S329 N333 L334 F350 A749 | D323-P331 HydrophobicContact CB-CG 4.1Å; D323-P331 WeakPolarHBondContact OD1-CD 3.32Å; D323-P331 WeakPolarHBondContact OD1-CG 3.39Å; D323-P331 WeakPolarHBondContact OD2-CG 3.45Å; S329-P331 WeakPolarHBondContact OG-CD 3.39Å; P331-N333 VanDerWaalsContact C-N 3.32Å; P331-N333 PolarHBondContact O-N 3.09Å; P331-L334 HydrophobicContact CB-CD1 4.46Å; P331-L334 WeakPolarHBondContact O-CB 3.5Å; P331-L334 PolarHBondContact O-N 3.3Å; P331-F350 HydrophobicContact CB-CD1 4.42Å; P331-F350 WeakPolarHBondContact O-CD1 3.5Å; P331-A749 HydrophobicContact CB-CB 3.9Å; P331-A749 HydrophobicContact CG-CB 4.22Å |
| 332 | G | 85.6 | Confident | 84.1 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -31.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D326 S329 S330 L334 A351 | D326-G332 WeakPolarHBondContact O-CA 3.48Å; S329-G332 PolarHBondContact O-N 3.46Å; S329-G332 PolarHBondContact OG-N 2.96Å; S330-G332 PolarHBondContact O-N 2.78Å; G332-L334 VanDerWaalsContact C-N 3.31Å; G332-A351 WeakPolarHBondContact O-CB 3.39Å; G332-A351 PolarHBondContact O-N 3.31Å |
| 333 | N | 89.6 | Confident | 83 | Confident | 94 Ų | 94 | 40.8 Ų | 40.8 | 50% | 0.503 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -3.6 | 175.1 | -164.1 | 25.5 | 0 | 0 | 0 | 113.7 | S329 P331 K349 | S329-N333 PolarHBondContact O-N 3.13Å; P331-N333 VanDerWaalsContact C-N 3.32Å; P331-N333 PolarHBondContact O-N 3.09Å; N333-K349 PolarHBondContact OD1-NZ 2.98Å |
| 334 | L | 89.3 | Confident | 82.1 | Confident | 21 Ų | 21 | 42 Ų | 42 | 11% | 0.11 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 135.3 | 179 | -61.1 | 179.3 | 0 | 0 | 0 | 111.8 | S330 P331 G332 F350 L753 W775 | S330-L334 WeakPolarHBondContact O-CG 3.38Å; P331-L334 HydrophobicContact CB-CD1 4.46Å; P331-L334 WeakPolarHBondContact O-CB 3.5Å; P331-L334 PolarHBondContact O-N 3.3Å; G332-L334 VanDerWaalsContact C-N 3.31Å; L334-F350 PolarHBondContact O-N 2.92Å; L334-F350 VanDerWaalsContact O-N 3.13Å; L334-L753 HydrophobicContact CD1-CD1 3.62Å; L334-W775 HydrophobicContact CB-CG 4.33Å; L334-W775 HydrophobicContact CD1-CD2 4.04Å; L334-W775 HydrophobicContact CD1-CE3 4.31Å; L334-W775 HydrophobicContact CD1-CG 4.16Å; L334-W775 HydrophobicContact CD2-CD2 4.25Å; L334-W775 HydrophobicContact CD2-CG 4.37Å; L334-W775 HydrophobicContact CD2-CZ2 4.14Å |
| 335 | T | 88.9 | Confident | 81.3 | Confident | 42 Ų | 42 | 42 Ų | 42 | 26% | 0.258 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 116.7 | 170.4 | -56.2 | 0 | 0 | 0 | 0 | 109.3 | V347 C774 W775 | T335-V347 HydrophobicContact CG2-CB 3.55Å; T335-V347 HydrophobicContact CG2-CG1 4.02Å; T335-V347 HydrophobicContact CG2-CG2 3.68Å; T335-C774 CarbonylContact O-C 3.57Å; T335-C774 WeakPolarHBondContact O-CA 3.48Å; T335-W775 PolarHBondContact O-N 3.32Å |
| 336 | M | 85.9 | Confident | 80.6 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 147.7 | -179.4 | -60.8 | -60.7 | -62.5 | 0 | 0 | 111 | W348 F350 P574 L753 W775 | M336-W348 HydrophobicContact CB-CD2 3.68Å; M336-W348 HydrophobicContact CB-CE3 4.12Å; M336-W348 HydrophobicContact CB-CG 4.22Å; M336-W348 HydrophobicContact CB-CH2 4.11Å; M336-W348 HydrophobicContact CB-CZ2 3.59Å; M336-W348 HydrophobicContact CB-CZ3 4.33Å; M336-W348 HydrophobicContact CE-CZ2 4.42Å; M336-W348 HydrophobicContact CG-CD2 4.12Å; M336-W348 HydrophobicContact CG-CE3 4.03Å; M336-W348 HydrophobicContact CG-CH2 3.85Å; M336-W348 HydrophobicContact CG-CZ2 3.85Å; M336-W348 HydrophobicContact CG-CZ3 3.91Å; M336-W348 PolarHBondContact N-O 2.91Å; M336-F350 HydrophobicContact CG-CB 3.83Å; M336-F350 HydrophobicContact CG-CG 4.21Å; M336-F350 HydrophobicContact SD-CB 4.13Å; M336-F350 HydrophobicContact SD-CD1 4.27Å; M336-F350 HydrophobicContact SD-CG 4.13Å; M336-P574 HydrophobicContact CE-CB 4.13Å; M336-P574 HydrophobicContact CE-CG 3.35Å; M336-P574 HydrophobicContact SD-CG 4.47Å; M336-L753 HydrophobicContact CE-CD2 3.89Å; M336-L753 HydrophobicContact SD-CD1 4.37Å; M336-L753 HydrophobicContact SD-CD2 4.48Å; M336-W775 WeakPolarHBondContact CA-O 3.24Å; M336-W775 WeakPolarHBondContact CE-O 3.11Å; M336-W775 HydrophobicContact SD-CB 4.09Å |
| 337 | C | 82.2 | Confident | 80 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -64.5 | 145.2 | 176.4 | -59.1 | 0 | 0 | 0 | 0 | 110.8 | W348 P562 W761 C774 W775 | C337-W348 PolarHBondContact O-NE1 2.84Å; C337-P562 HydrophobicContact CB-CB 4.36Å; C337-P562 HydrophobicContact CB-CG 4.47Å; C337-W761 HydrophobicContact CB-CH2 4.06Å; C337-C774 VanDerWaalsContact CA-SG 3.56Å; C337-C774 HydrophobicContact CB-CB 3.92Å; C337-C774 WeakPolarHBondContact CB-SG 3.49Å; C337-C774 WeakPolarHBondContact SG-CB 3.28Å; C337-C774 CovalentContact SG-SG 2.05Å; C337-C774 PolarHBondContact SG-SG 2.93Å; C337-W775 PolarHBondContact N-O 3.35Å; C337-W775 PolarHBondContact SG-O 3.47Å; C337-W775 VanDerWaalsContact SG-O 3.36Å |
| 338 | P | 76.4 | Confident | 79.7 | Confident | 11 Ų | 11 | 40.7 Ų | 40.7 | 7% | 0.071 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -62.4 | 143.7 | 176.1 | 29.6 | -34.8 | 0 | 0 | 0 | 110.3 | C345 W761 Y768 | P338-C345 HydrophobicContact CB-CB 3.82Å; P338-W761 VanDerWaalsContact CD-CH2 3.48Å; P338-W761 HydrophobicContact CG-CE3 4.35Å; P338-W761 HydrophobicContact CG-CH2 3.93Å; P338-W761 HydrophobicContact CG-CZ3 3.7Å; P338-Y768 HydrophobicContact CG-CE1 4.2Å |
| 339 | I | 72 | Confident | 79.5 | Confident | 32 Ų | 32 | 37.5 Ų | 37.5 | 16% | 0.164 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -79.8 | -22.2 | -178.6 | -56.3 | 167.8 | 0 | 0 | 0 | 111.2 | Y472 I487 | I339-Y472 HydrophobicContact CB-CE1 4.46Å; I339-I487 HydrophobicContact CD1-CD1 4.16Å |
| 340 | C | 71.5 | Confident | 79.4 | Confident | 11 Ų | 11 | 37 Ų | 37 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -123.1 | 172.9 | 178.5 | 59.1 | 0 | 0 | 0 | 0 | 112.5 | C345 V469 Y472 | C340-C345 WeakPolarHBondContact CA-SG 3.05Å; C340-C345 HydrophobicContact CB-CB 4.28Å; C340-C345 WeakPolarHBondContact CB-SG 3.22Å; C340-C345 WeakPolarHBondContact O-CB 3.32Å; C340-C345 PolarHBondContact O-SG 2.74Å; C340-C345 WeakPolarHBondContact SG-CB 3.39Å; C340-C345 CovalentContact SG-SG 1.98Å; C340-C345 PolarHBondContact SG-SG 2.91Å; C340-V469 HydrophobicContact CB-CG1 3.75Å; C340-Y472 HydrophobicContact CB-CD1 3.72Å; C340-Y472 HydrophobicContact CB-CE1 4.13Å; C340-Y472 WeakPolarHBondContact SG-CD1 3.08Å; C340-Y472 WeakPolarHBondContact SG-CE1 3.47Å |
| 341 | E | 67.3 | Low | 79.5 | Confident | 103 Ų | 103 | 34.5 Ų | 34.5 | 48% | 0.481 | 18% | 0.182 | S | C | . | . | trans | -74 | 127.7 | 179.2 | -171.8 | 172.6 | -164.2 | 0 | 0 | 112.2 | C345 L565 | E341-C345 PolarHBondContact N-SG 2.98Å; E341-C345 PolarHBondContact O-SG 3.3Å; E341-L565 HydrophobicContact CG-CD2 4.17Å | ||
| 342 | P | 66.2 | Low | 79.3 | Confident | 9 Ų | 9 | 39.8 Ų | 39.8 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 148.6 | 171.2 | -24.3 | 33 | 0 | 0 | 0 | 112.2 | L764 Y768 | P342-L764 HydrophobicContact CB-CB 3.97Å; P342-L764 HydrophobicContact CG-CB 4.42Å; P342-Y768 HydrophobicContact CB-CD2 4.45Å; P342-Y768 HydrophobicContact CB-CE2 3.7Å; P342-Y768 HydrophobicContact CG-CE2 3.74Å |
| 343 | P | 67.1 | Low | 79 | Confident | 70 Ų | 70 | 43.6 Ų | 43.6 | 46% | 0.455 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -94.6 | -10.7 | 19.3 | 34.8 | -36.5 | 0 | 0 | 0 | 115.1 | C345 | P343-C345 PolarHBondContact O-N 3.26Å; P343-C345 VanDerWaalsContact O-N 3.07Å |
| 344 | N | 69.6 | Low | 78.6 | Confident | 46 Ų | 46 | 39.2 Ų | 39.2 | 25% | 0.246 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -86.9 | 24 | -169.4 | -46.3 | -66 | 0 | 0 | 0 | 113.5 | R476 K477 | N344-R476 WeakPolarHBondContact O-CD 3.32Å; N344-K477 HydrophobicContact CB-CG 4.37Å; N344-K477 WeakPolarHBondContact ND2-CE 3.36Å; N344-K477 VanDerWaalsContact OD1-CE 3.31Å; N344-K477 WeakPolarHBondContact OD1-CE 3.23Å; N344-K477 WeakPolarHBondContact OD1-CG 3.42Å |
| 345 | C | 73.8 | Confident | 78.5 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | trans | -132.7 | 133.4 | -175.4 | -43 | 0 | 0 | 0 | 0 | 105 | P338 C340 E341 P343 Y768 | P338-C345 HydrophobicContact CB-CB 3.82Å; C340-C345 WeakPolarHBondContact CA-SG 3.05Å; C340-C345 HydrophobicContact CB-CB 4.28Å; C340-C345 WeakPolarHBondContact CB-SG 3.22Å; C340-C345 WeakPolarHBondContact O-CB 3.32Å; C340-C345 PolarHBondContact O-SG 2.74Å; C340-C345 WeakPolarHBondContact SG-CB 3.39Å; C340-C345 CovalentContact SG-SG 1.98Å; C340-C345 PolarHBondContact SG-SG 2.91Å; E341-C345 PolarHBondContact N-SG 2.98Å; E341-C345 PolarHBondContact O-SG 3.3Å; P343-C345 PolarHBondContact O-N 3.26Å; P343-C345 VanDerWaalsContact O-N 3.07Å; C345-Y768 VanDerWaalsContact C-OH 3.32Å; C345-Y768 PolarHBondContact O-OH 3.13Å | ||
| 346 | E | 75.7 | Confident | 78.3 | Confident | 94 Ų | 94 | 41.5 Ų | 41.5 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | trans | -108.2 | 155.9 | 169.6 | -73.2 | 167.2 | -140.9 | 0 | 0 | 108.3 | R476 | E346-R476 VanDerWaalsContact N-NH1 3.12Å; E346-R476 IonicContact OE1-CZ 2.83Å; E346-R476 IonicContact OE1-NE 3.34Å; E346-R476 IonicContact OE1-NH2 3.7Å; E346-R476 PolarHBondContact OE1-NH2 2.8Å; E346-R476 IonicContact OE2-CZ 3.86Å; E346-R476 IonicContact OE2-NH2 3.06Å; E346-R476 PolarHBondContact OE2-NH2 3.45Å | ||
| 347 | V | 78.9 | Confident | 78.1 | Confident | 36 Ų | 36 | 42.5 Ų | 42.5 | 22% | 0.218 | 23% | 0.231 | C | C | . | . | trans | -66.5 | 154.6 | 162.2 | -64.4 | 0 | 0 | 0 | 0 | 109.7 | T335 Y768 I771 | T335-V347 HydrophobicContact CG2-CB 3.55Å; T335-V347 HydrophobicContact CG2-CG1 4.02Å; T335-V347 HydrophobicContact CG2-CG2 3.68Å; V347-Y768 HydrophobicContact CG1-CD1 4.33Å; V347-Y768 HydrophobicContact CG1-CE1 3.86Å; V347-I771 HydrophobicContact CB-CD1 4.11Å; V347-I771 HydrophobicContact CG1-CD1 3.72Å; V347-I771 HydrophobicContact CG1-CG2 4.27Å; V347-I771 HydrophobicContact CG2-CD1 3.26Å; V347-I771 HydrophobicContact CG2-CG1 4.21Å | ||
| 348 | W | 82.9 | Confident | 78.3 | Confident | 17 Ų | 17 | 42.7 Ų | 42.7 | 6% | 0.064 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 147.4 | -178.4 | 55.8 | -80 | 0 | 0 | 0 | 109.4 | M336 C337 F350 E353 P574 | M336-W348 HydrophobicContact CB-CD2 3.68Å; M336-W348 HydrophobicContact CB-CE3 4.12Å; M336-W348 HydrophobicContact CB-CG 4.22Å; M336-W348 HydrophobicContact CB-CH2 4.11Å; M336-W348 HydrophobicContact CB-CZ2 3.59Å; M336-W348 HydrophobicContact CB-CZ3 4.33Å; M336-W348 HydrophobicContact CE-CZ2 4.42Å; M336-W348 HydrophobicContact CG-CD2 4.12Å; M336-W348 HydrophobicContact CG-CE3 4.03Å; M336-W348 HydrophobicContact CG-CH2 3.85Å; M336-W348 HydrophobicContact CG-CZ2 3.85Å; M336-W348 HydrophobicContact CG-CZ3 3.91Å; M336-W348 PolarHBondContact N-O 2.91Å; C337-W348 PolarHBondContact O-NE1 2.84Å; W348-F350 HydrophobicContact CH2-CD2 4.28Å; W348-F350 AromaticContact CZ3-CD2 3.95Å; W348-F350 HydrophobicContact CZ3-CD2 3.95Å; W348-E353 HydrophobicContact CB-CG 4.44Å; W348-E353 WeakPolarHBondContact CB-OE1 3.46Å; W348-E353 HydrophobicContact CE3-CB 3.8Å; W348-E353 HydrophobicContact CZ3-CB 4.21Å; W348-P574 HydrophobicContact CH2-CG 3.54Å; W348-P574 HydrophobicContact CZ2-CG 4.06Å |
| 349 | K | 86 | Confident | 78.8 | Confident | 107 Ų | 107 | 44.9 Ų | 44.9 | 47% | 0.465 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 135.4 | 176 | -73.3 | -160.9 | 173.9 | -158.2 | 0 | 110 | N333 A351 V352 E353 | N333-K349 PolarHBondContact OD1-NZ 2.98Å; K349-A351 VanDerWaalsContact C-N 3.32Å; K349-A351 PolarHBondContact O-N 3.09Å; K349-V352 HydrophobicContact CB-CG2 4.16Å; K349-V352 PolarHBondContact O-N 2.93Å; K349-E353 PolarHBondContact O-N 3.36Å |
| 350 | F | 86.7 | Confident | 79.4 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 2% | 0.022 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -61.5 | -40.1 | -174 | -166.1 | -167.9 | 0 | 0 | 0 | 112.6 | V324 P331 L334 M336 W348 V352 G354 P574 A749 L753 | V324-F350 HydrophobicContact CB-CE1 4.3Å; V324-F350 HydrophobicContact CB-CZ 4.15Å; V324-F350 HydrophobicContact CG1-CD1 4.13Å; V324-F350 HydrophobicContact CG1-CD2 3.71Å; V324-F350 HydrophobicContact CG1-CE1 3.9Å; V324-F350 HydrophobicContact CG1-CE2 3.4Å; V324-F350 HydrophobicContact CG1-CG 4.03Å; V324-F350 HydrophobicContact CG1-CZ 3.49Å; V324-F350 VanDerWaalsContact CG1-CZ 3.49Å; V324-F350 HydrophobicContact CG2-CD1 4.27Å; V324-F350 HydrophobicContact CG2-CE1 3.49Å; V324-F350 VanDerWaalsContact CG2-CE1 3.49Å; V324-F350 HydrophobicContact CG2-CE2 4.26Å; V324-F350 HydrophobicContact CG2-CZ 3.46Å; V324-F350 VanDerWaalsContact CG2-CZ 3.46Å; P331-F350 HydrophobicContact CB-CD1 4.42Å; P331-F350 WeakPolarHBondContact O-CD1 3.5Å; L334-F350 PolarHBondContact O-N 2.92Å; L334-F350 VanDerWaalsContact O-N 3.13Å; M336-F350 HydrophobicContact CG-CB 3.83Å; M336-F350 HydrophobicContact CG-CG 4.21Å; M336-F350 HydrophobicContact SD-CB 4.13Å; M336-F350 HydrophobicContact SD-CD1 4.27Å; M336-F350 HydrophobicContact SD-CG 4.13Å; W348-F350 HydrophobicContact CH2-CD2 4.28Å; W348-F350 AromaticContact CZ3-CD2 3.95Å; W348-F350 HydrophobicContact CZ3-CD2 3.95Å; F350-V352 VanDerWaalsContact C-N 3.33Å; F350-V352 PolarHBondContact O-N 3.1Å; F350-G354 WeakPolarHBondContact O-CA 3.37Å; F350-G354 PolarHBondContact O-N 2.81Å; F350-P574 HydrophobicContact CD2-CB 4.22Å; F350-P574 HydrophobicContact CD2-CG 4.12Å; F350-P574 HydrophobicContact CE1-CB 4.08Å; F350-P574 HydrophobicContact CE2-CB 3.38Å; F350-P574 HydrophobicContact CE2-CG 3.7Å; F350-P574 HydrophobicContact CZ-CB 3.3Å; F350-P574 HydrophobicContact CZ-CG 4.09Å; F350-A749 HydrophobicContact CE1-CB 4.35Å; F350-L753 HydrophobicContact CD1-CD1 4.47Å; F350-L753 HydrophobicContact CE1-CD1 4.37Å |
| 351 | A | 87 | Confident | 80.1 | Confident | 11 Ų | 11 | 47.2 Ų | 47.2 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -63.4 | -32.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | V324 P327 G332 K349 C355 | V324-A351 WeakPolarHBondContact O-CA 3.47Å; V324-A351 WeakPolarHBondContact O-CB 3.42Å; P327-A351 HydrophobicContact CB-CB 4.39Å; P327-A351 HydrophobicContact CG-CB 4.27Å; G332-A351 WeakPolarHBondContact O-CB 3.39Å; G332-A351 PolarHBondContact O-N 3.31Å; K349-A351 VanDerWaalsContact C-N 3.32Å; K349-A351 PolarHBondContact O-N 3.09Å; A351-C355 WeakPolarHBondContact O-CB 3.49Å |
| 352 | V | 83.7 | Confident | 81.1 | Confident | 113 Ų | 113 | 43.6 Ų | 43.6 | 69% | 0.685 | 24% | 0.235 | S | C | * | . | I | π-helix | trans | -79.8 | -54 | -172.3 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | K349 F350 | K349-V352 HydrophobicContact CB-CG2 4.16Å; K349-V352 PolarHBondContact O-N 2.93Å; F350-V352 VanDerWaalsContact C-N 3.33Å; F350-V352 PolarHBondContact O-N 3.1Å |
| 353 | E | 79 | Confident | 82.1 | Confident | 80 Ų | 80 | 43.5 Ų | 43.5 | 37% | 0.374 | 23% | 0.234 | S | C | . | . | I | π-helix | trans | -95.1 | -31.1 | -174.8 | -62.1 | -178.7 | -162.4 | 0 | 0 | 112.3 | W348 K349 | W348-E353 HydrophobicContact CB-CG 4.44Å; W348-E353 WeakPolarHBondContact CB-OE1 3.46Å; W348-E353 HydrophobicContact CE3-CB 3.8Å; W348-E353 HydrophobicContact CZ3-CB 4.21Å; K349-E353 PolarHBondContact O-N 3.36Å |
| 354 | G | 81.3 | Confident | 82.9 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -78.2 | -28.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F350 S356 R357 T358 | F350-G354 WeakPolarHBondContact O-CA 3.37Å; F350-G354 PolarHBondContact O-N 2.81Å; G354-S356 PolarHBondContact O-N 2.95Å; G354-R357 PolarHBondContact O-N 3.45Å; G354-R357 VanDerWaalsContact O-N 3.12Å; G354-T358 PolarHBondContact O-N 3.38Å; G354-T358 PolarHBondContact O-OG1 3.3Å; G354-T358 VanDerWaalsContact O-OG1 3.06Å |
| 355 | C | 87.7 | Confident | 83.6 | Confident | 23 Ų | 23 | 39.9 Ų | 39.9 | 16% | 0.155 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.4 | -50.3 | -174.6 | 173.4 | 0 | 0 | 0 | 0 | 113 | C325 A351 R357 T358 K359 | C325-C355 HydrophobicContact CB-CB 3.87Å; C325-C355 WeakPolarHBondContact CB-SG 3.5Å; C325-C355 WeakPolarHBondContact SG-CA 3.4Å; C325-C355 WeakPolarHBondContact SG-CB 3.33Å; C325-C355 CovalentContact SG-SG 2.03Å; C325-C355 PolarHBondContact SG-SG 3.44Å; A351-C355 WeakPolarHBondContact O-CB 3.49Å; C355-R357 VanDerWaalsContact C-N 3.29Å; C355-R357 PolarHBondContact O-N 3.44Å; C355-T358 PolarHBondContact O-N 3.11Å; C355-K359 WeakPolarHBondContact O-CG 3.32Å; C355-K359 PolarHBondContact O-N 2.84Å |
| 356 | S | 83.4 | Confident | 84.3 | Confident | 89 Ų | 89 | 40 Ų | 40 | 62% | 0.622 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -63.2 | -36.8 | -179.8 | -171.4 | 0 | 0 | 0 | 0 | 112.1 | G354 L360 | G354-S356 PolarHBondContact O-N 2.95Å; S356-L360 WeakPolarHBondContact O-CB 3.27Å; S356-L360 PolarHBondContact O-N 3.03Å |
| 357 | R | 81.9 | Confident | 84.8 | Confident | 26 Ų | 26 | 41.8 Ų | 41.8 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72.9 | -40.6 | -179.6 | -63.1 | -171.7 | 178.6 | 150.4 | 11 | 111.7 | G354 C355 L360 S361 I487 E488 D573 | G354-R357 PolarHBondContact O-N 3.45Å; G354-R357 VanDerWaalsContact O-N 3.12Å; C355-R357 VanDerWaalsContact C-N 3.29Å; C355-R357 PolarHBondContact O-N 3.44Å; R357-L360 PolarHBondContact O-N 3.01Å; R357-S361 VanDerWaalsContact O-CB 3.31Å; R357-S361 WeakPolarHBondContact O-CB 3.43Å; R357-S361 PolarHBondContact O-N 3.24Å; R357-I487 VanDerWaalsContact NH2-CG2 3.29Å; R357-E488 IonicContact CZ-OE1 3.99Å; R357-E488 IonicContact NE-OE1 2.86Å; R357-E488 IonicContact NH2-OE1 2.75Å; R357-E488 PolarHBondContact NH2-OE1 3.4Å; R357-D573 WeakPolarHBondContact CD-OD2 3.41Å; R357-D573 IonicContact CZ-OD1 3.18Å; R357-D573 IonicContact NE-OD1 3.7Å; R357-D573 IonicContact NE-OD2 3.26Å; R357-D573 IonicContact NH1-OD1 2.85Å; R357-D573 PolarHBondContact NH1-OD1 3.18Å; R357-D573 IonicContact NH1-OD2 3.65Å |
| 358 | T | 86 | Confident | 85.4 | Confident | 10 Ų | 10 | 41 Ų | 41 | 6% | 0.061 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 174.1 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | A321 V324 G354 C355 S361 Y362 | A321-T358 HydrophobicContact CB-CG2 4.27Å; V324-T358 HydrophobicContact CB-CG2 4.41Å; V324-T358 HydrophobicContact CG2-CG2 4.37Å; G354-T358 PolarHBondContact O-N 3.38Å; G354-T358 PolarHBondContact O-OG1 3.3Å; G354-T358 VanDerWaalsContact O-OG1 3.06Å; C355-T358 PolarHBondContact O-N 3.11Å; T358-S361 PolarHBondContact O-N 3.12Å; T358-Y362 PolarHBondContact O-N 3.33Å |
| 359 | K | 88.1 | Confident | 85.7 | Confident | 58 Ų | 58 | 40.2 Ų | 40.2 | 25% | 0.252 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 173.7 | -73.9 | -171.8 | -178.8 | -166 | 0 | 112.3 | M315 N316 A321 C325 C355 S361 Y362 V363 | M315-K359 HydrophobicContact SD-CD 4.29Å; N316-K359 PolarHBondContact OD1-NZ 2.89Å; A321-K359 HydrophobicContact CB-CG 4.27Å; C325-K359 VanDerWaalsContact SG-CE 3.54Å; C355-K359 WeakPolarHBondContact O-CG 3.32Å; C355-K359 PolarHBondContact O-N 2.84Å; K359-S361 VanDerWaalsContact C-N 3.33Å; K359-S361 PolarHBondContact O-N 3.31Å; K359-Y362 PolarHBondContact O-N 3.37Å; K359-V363 WeakPolarHBondContact O-CG2 3.35Å; K359-V363 PolarHBondContact O-N 3.47Å |
| 360 | L | 83.5 | Confident | 86 | Confident | 82 Ų | 82 | 38.5 Ų | 38.5 | 43% | 0.429 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.4 | -41.4 | 177.1 | 179.6 | 61.5 | 0 | 0 | 0 | 111.7 | S356 R357 Y362 V363 M364 | S356-L360 WeakPolarHBondContact O-CB 3.27Å; S356-L360 PolarHBondContact O-N 3.03Å; R357-L360 PolarHBondContact O-N 3.01Å; L360-Y362 VanDerWaalsContact C-N 3.34Å; L360-Y362 PolarHBondContact O-N 3.43Å; L360-V363 PolarHBondContact O-N 3.38Å; L360-M364 HydrophobicContact CD1-CE 4.32Å; L360-M364 HydrophobicContact CD1-CG 4.45Å; L360-M364 PolarHBondContact O-N 2.88Å |
| 361 | S | 85.8 | Confident | 86.2 | Confident | 9 Ų | 9 | 43.8 Ų | 43.8 | 6% | 0.063 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.3 | -44.6 | 175 | -169 | 0 | 0 | 0 | 0 | 110.7 | R357 T358 K359 V363 M364 N365 G575 T578 | R357-S361 VanDerWaalsContact O-CB 3.31Å; R357-S361 WeakPolarHBondContact O-CB 3.43Å; R357-S361 PolarHBondContact O-N 3.24Å; T358-S361 PolarHBondContact O-N 3.12Å; K359-S361 VanDerWaalsContact C-N 3.33Å; K359-S361 PolarHBondContact O-N 3.31Å; S361-V363 PolarHBondContact O-N 3.16Å; S361-M364 PolarHBondContact O-N 3.27Å; S361-N365 WeakPolarHBondContact O-CA 3.02Å; S361-N365 WeakPolarHBondContact O-CB 3.13Å; S361-N365 PolarHBondContact O-N 3.3Å; S361-G575 WeakPolarHBondContact CB-O 3.41Å; S361-G575 PolarHBondContact OG-O 2.93Å; S361-T578 PolarHBondContact OG-OG1 2.88Å |
| 362 | Y | 88.8 | Confident | 86.6 | Confident | 28 Ų | 28 | 43.2 Ų | 43.2 | 11% | 0.11 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 175.1 | 179.5 | -91.8 | 0 | 0 | 0 | 113.1 | N314 M315 D318 T358 K359 L360 M364 N365 N366 | N314-Y362 HydrophobicContact CB-CE1 4.03Å; N314-Y362 WeakPolarHBondContact CB-OH 3.44Å; M315-Y362 HydrophobicContact CB-CD1 3.99Å; M315-Y362 HydrophobicContact CB-CE1 4.46Å; D318-Y362 HydrophobicContact CB-CD1 4.43Å; D318-Y362 HydrophobicContact CB-CD2 3.64Å; D318-Y362 HydrophobicContact CB-CE1 4.33Å; D318-Y362 HydrophobicContact CB-CE2 3.51Å; D318-Y362 HydrophobicContact CB-CG 4.1Å; D318-Y362 VanDerWaalsContact CG-CE2 3.41Å; D318-Y362 WeakPolarHBondContact OD1-CD2 3.46Å; D318-Y362 WeakPolarHBondContact OD1-CE2 3.45Å; T358-Y362 PolarHBondContact O-N 3.33Å; K359-Y362 PolarHBondContact O-N 3.37Å; L360-Y362 VanDerWaalsContact C-N 3.34Å; L360-Y362 PolarHBondContact O-N 3.43Å; Y362-M364 PolarHBondContact O-N 2.89Å; Y362-N365 CarbonylContact O-C 3.55Å; Y362-N365 PolarHBondContact O-N 3.04Å; Y362-N366 HydrophobicContact CD2-CB 4.41Å; Y362-N366 HydrophobicContact CE1-CB 4.47Å; Y362-N366 HydrophobicContact CE2-CB 4.13Å; Y362-N366 WeakPolarHBondContact O-CB 3.37Å; Y362-N366 PolarHBondContact O-ND2 2.7Å |
| 363 | V | 88 | Confident | 87.1 | Confident | 7 Ų | 7 | 37.9 Ų | 37.9 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.9 | -39.9 | 179.9 | 169.3 | 0 | 0 | 0 | 0 | 111.5 | T308 L312 M315 K359 L360 S361 N366 | T308-V363 HydrophobicContact CG2-CG1 4.12Å; L312-V363 HydrophobicContact CD2-CG1 3.75Å; L312-V363 HydrophobicContact CD2-CG2 3.92Å; L312-V363 HydrophobicContact CG-CG1 3.92Å; M315-V363 HydrophobicContact CB-CG2 4.14Å; M315-V363 HydrophobicContact CE-CG2 3.56Å; M315-V363 HydrophobicContact SD-CG2 4.44Å; K359-V363 WeakPolarHBondContact O-CG2 3.35Å; K359-V363 PolarHBondContact O-N 3.47Å; L360-V363 PolarHBondContact O-N 3.38Å; S361-V363 PolarHBondContact O-N 3.16Å; V363-N366 PolarHBondContact O-ND2 3.46Å |
| 364 | M | 83.5 | Confident | 87.8 | Confident | 25 Ų | 25 | 35.9 Ų | 35.9 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -90.9 | -35.4 | -176.2 | -60.7 | -63.7 | -175.3 | 0 | 0 | 112.7 | L360 S361 Y362 T369 T582 | L360-M364 HydrophobicContact CD1-CE 4.32Å; L360-M364 HydrophobicContact CD1-CG 4.45Å; L360-M364 PolarHBondContact O-N 2.88Å; S361-M364 PolarHBondContact O-N 3.27Å; Y362-M364 PolarHBondContact O-N 2.89Å; M364-T369 PolarHBondContact O-OG1 3.46Å; M364-T582 HydrophobicContact CB-CG2 4.45Å; M364-T582 HydrophobicContact CE-CG2 4.38Å; M364-T582 HydrophobicContact CG-CG2 3.97Å; M364-T582 HydrophobicContact SD-CG2 4.23Å |
| 365 | N | 84.5 | Confident | 88.5 | Confident | 15 Ų | 15 | 38.6 Ų | 38.6 | 8% | 0.08 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -121.9 | 86.1 | -178 | -175.5 | 27.9 | 0 | 0 | 0 | 110.3 | S361 Y362 T369 S727 | S361-N365 WeakPolarHBondContact O-CA 3.02Å; S361-N365 WeakPolarHBondContact O-CB 3.13Å; S361-N365 PolarHBondContact O-N 3.3Å; Y362-N365 CarbonylContact O-C 3.55Å; Y362-N365 PolarHBondContact O-N 3.04Å; N365-T369 WeakPolarHBondContact CA-OG1 3.47Å; N365-S727 VanDerWaalsContact CG-OG 3.31Å; N365-S727 PolarHBondContact ND2-OG 3.48Å; N365-S727 PolarHBondContact OD1-OG 3.3Å |
| 366 | N | 87.3 | Confident | 88.9 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -122.3 | -175.9 | 175 | 56.7 | 62.8 | 0 | 0 | 0 | 110.5 | G311 Y362 V363 A368 T369 | G311-N366 WeakPolarHBondContact CA-ND2 3.2Å; Y362-N366 HydrophobicContact CD2-CB 4.41Å; Y362-N366 HydrophobicContact CE1-CB 4.47Å; Y362-N366 HydrophobicContact CE2-CB 4.13Å; Y362-N366 WeakPolarHBondContact O-CB 3.37Å; Y362-N366 PolarHBondContact O-ND2 2.7Å; V363-N366 PolarHBondContact O-ND2 3.46Å; N366-A368 PolarHBondContact O-N 3.19Å; N366-A368 WeakPolarHBondContact OD1-CA 3.49Å; N366-A368 VanDerWaalsContact OD1-CB 3.23Å; N366-A368 WeakPolarHBondContact OD1-CB 3.49Å; N366-A368 PolarHBondContact OD1-N 2.94Å; N366-T369 PolarHBondContact N-OG1 2.88Å; N366-T369 WeakPolarHBondContact O-CB 3.44Å; N366-T369 PolarHBondContact O-N 2.95Å; N366-T369 PolarHBondContact O-OG1 3.16Å; N366-T369 PolarHBondContact OD1-N 3.34Å |
| 367 | E | 87.5 | Confident | 89.4 | Confident | 130 Ų | 130 | 33.3 Ų | 33.3 | 61% | 0.607 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -61.3 | -31.3 | 179.8 | -58.8 | -177.5 | 168.4 | 0 | 0 | 112.9 | T369 L370 | E367-T369 PolarHBondContact O-N 3.41Å; E367-L370 PolarHBondContact O-N 3.48Å |
| 368 | A | 91.5 | Very high | 90.1 | Very high | 21 Ų | 21 | 34.3 Ų | 34.3 | 17% | 0.174 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -73.8 | -13.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | V307 F310 N366 L370 F371 M372 | V307-A368 HydrophobicContact CG1-CB 4.09Å; V307-A368 HydrophobicContact CG2-CB 4.24Å; F310-A368 HydrophobicContact CD1-CB 3.87Å; F310-A368 HydrophobicContact CE1-CB 4.21Å; F310-A368 HydrophobicContact CG-CB 4.46Å; N366-A368 PolarHBondContact O-N 3.19Å; N366-A368 WeakPolarHBondContact OD1-CA 3.49Å; N366-A368 VanDerWaalsContact OD1-CB 3.23Å; N366-A368 WeakPolarHBondContact OD1-CB 3.49Å; N366-A368 PolarHBondContact OD1-N 2.94Å; A368-L370 VanDerWaalsContact C-N 3.28Å; A368-L370 PolarHBondContact O-N 2.94Å; A368-F371 WeakPolarHBondContact O-CB 3.31Å; A368-F371 PolarHBondContact O-N 3.03Å; A368-F371 VanDerWaalsContact O-N 3.17Å; A368-M372 PolarHBondContact O-N 3.42Å |
| 369 | T | 89.7 | Confident | 90.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.6 | -35.2 | 171.8 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | M364 N365 N366 E367 F371 M372 S373 A663 | M364-T369 PolarHBondContact O-OG1 3.46Å; N365-T369 WeakPolarHBondContact CA-OG1 3.47Å; N366-T369 PolarHBondContact N-OG1 2.88Å; N366-T369 WeakPolarHBondContact O-CB 3.44Å; N366-T369 PolarHBondContact O-N 2.95Å; N366-T369 PolarHBondContact O-OG1 3.16Å; N366-T369 PolarHBondContact OD1-N 3.34Å; E367-T369 PolarHBondContact O-N 3.41Å; T369-F371 VanDerWaalsContact C-N 3.31Å; T369-F371 PolarHBondContact O-N 3.46Å; T369-M372 WeakPolarHBondContact O-CB 3.4Å; T369-M372 PolarHBondContact O-N 2.95Å; T369-M372 VanDerWaalsContact O-N 3.16Å; T369-S373 PolarHBondContact O-N 3.07Å; T369-S373 PolarHBondContact O-OG 2.9Å; T369-A663 HydrophobicContact CG2-CB 3.73Å; T369-A663 WeakPolarHBondContact CG2-O 3.28Å |
| 370 | L | 90.6 | Very high | 90.9 | Very high | 71 Ų | 71 | 31.6 Ų | 31.6 | 37% | 0.372 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -61.5 | -41.9 | 173.6 | 179.6 | 64.1 | 0 | 0 | 0 | 111.3 | E367 A368 M372 S373 C374 L723 L806 | E367-L370 PolarHBondContact O-N 3.48Å; A368-L370 VanDerWaalsContact C-N 3.28Å; A368-L370 PolarHBondContact O-N 2.94Å; L370-M372 VanDerWaalsContact C-N 3.34Å; L370-S373 PolarHBondContact O-N 2.81Å; L370-C374 PolarHBondContact O-N 2.85Å; L370-C374 VanDerWaalsContact O-N 3.08Å; L370-C374 PolarHBondContact O-SG 3.37Å; L370-C374 VanDerWaalsContact O-SG 3.38Å; L370-L723 HydrophobicContact CD1-CD1 3.91Å; L370-L806 HydrophobicContact CD1-CD2 4.12Å |
| 371 | F | 92.5 | Very high | 91.5 | Very high | 115 Ų | 115 | 28.1 Ų | 28.1 | 50% | 0.504 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -61.1 | -43.3 | 173.6 | 166.4 | -94.4 | 0 | 0 | 0 | 111.3 | V307 A368 T369 S373 C374 F375 | V307-F371 HydrophobicContact CG2-CD1 4.28Å; A368-F371 WeakPolarHBondContact O-CB 3.31Å; A368-F371 PolarHBondContact O-N 3.03Å; A368-F371 VanDerWaalsContact O-N 3.17Å; T369-F371 VanDerWaalsContact C-N 3.31Å; T369-F371 PolarHBondContact O-N 3.46Å; F371-S373 PolarHBondContact O-N 2.82Å; F371-C374 PolarHBondContact O-N 3.38Å; F371-F375 HydrophobicContact CZ-CD2 4.47Å; F371-F375 VanDerWaalsContact O-CB 3.3Å; F371-F375 WeakPolarHBondContact O-CB 3.37Å; F371-F375 PolarHBondContact O-N 3.25Å |
| 372 | M | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.1 | -46.7 | 176.9 | -174.2 | 57.6 | 175.9 | 0 | 0 | 112.2 | A303 V307 A368 T369 L370 C374 F375 I376 I662 P666 P669 | A303-M372 HydrophobicContact CB-SD 4.12Å; V307-M372 HydrophobicContact CG2-CB 4.22Å; A368-M372 PolarHBondContact O-N 3.42Å; T369-M372 WeakPolarHBondContact O-CB 3.4Å; T369-M372 PolarHBondContact O-N 2.95Å; T369-M372 VanDerWaalsContact O-N 3.16Å; L370-M372 VanDerWaalsContact C-N 3.34Å; M372-C374 PolarHBondContact O-N 3.43Å; M372-F375 PolarHBondContact O-N 3.48Å; M372-I376 HydrophobicContact CE-CD1 3.76Å; M372-I376 HydrophobicContact CE-CG1 3.72Å; M372-I376 HydrophobicContact CG-CG1 4.42Å; M372-I376 WeakPolarHBondContact O-CB 3.33Å; M372-I376 VanDerWaalsContact O-CG1 3.29Å; M372-I376 WeakPolarHBondContact O-CG1 3.33Å; M372-I376 PolarHBondContact O-N 3.49Å; M372-I376 HydrophobicContact SD-CG1 4.02Å; M372-I662 HydrophobicContact CE-CD1 3.68Å; M372-I662 HydrophobicContact CE-CG1 3.62Å; M372-I662 HydrophobicContact CG-CG1 4.09Å; M372-P666 HydrophobicContact CG-CB 4.4Å; M372-P669 HydrophobicContact CE-CG 4.21Å |
| 373 | S | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61 | -46.5 | 177.8 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | T369 L370 F371 F375 I376 I377 A663 | T369-S373 PolarHBondContact O-N 3.07Å; T369-S373 PolarHBondContact O-OG 2.9Å; L370-S373 PolarHBondContact O-N 2.81Å; F371-S373 PolarHBondContact O-N 2.82Å; S373-F375 PolarHBondContact O-N 3.49Å; S373-I376 PolarHBondContact O-N 3Å; S373-I377 WeakPolarHBondContact O-CD1 3.21Å; S373-I377 VanDerWaalsContact O-CG1 3.25Å; S373-I377 WeakPolarHBondContact O-CG1 3.42Å; S373-I377 PolarHBondContact O-N 3.21Å; S373-A663 WeakPolarHBondContact OG-CB 3.35Å |
| 374 | C | 93.7 | Very high | 92.4 | Very high | 39 Ų | 39 | 29 Ų | 29 | 26% | 0.264 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -59.3 | -45.3 | 174.5 | -71.2 | 0 | 0 | 0 | 0 | 112 | L370 F371 M372 I376 I377 V378 | L370-C374 PolarHBondContact O-N 2.85Å; L370-C374 VanDerWaalsContact O-N 3.08Å; L370-C374 PolarHBondContact O-SG 3.37Å; L370-C374 VanDerWaalsContact O-SG 3.38Å; F371-C374 PolarHBondContact O-N 3.38Å; M372-C374 PolarHBondContact O-N 3.43Å; C374-I376 VanDerWaalsContact C-N 3.33Å; C374-I376 PolarHBondContact O-N 3.49Å; C374-I377 PolarHBondContact O-N 3.34Å; C374-V378 WeakPolarHBondContact O-CG2 3.46Å; C374-V378 PolarHBondContact O-N 3.02Å; C374-V378 VanDerWaalsContact O-N 3.07Å |
| 375 | F | 95.5 | Very high | 92.8 | Very high | 59 Ų | 59 | 29.3 Ų | 29.3 | 26% | 0.259 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -59.8 | -43.9 | 178.9 | 175.9 | -89.5 | 0 | 0 | 0 | 111.3 | P299 A300 A303 F371 M372 S373 V378 W379 | P299-F375 HydrophobicContact CB-CZ 4.33Å; A300-F375 HydrophobicContact CB-CE1 4.34Å; A303-F375 HydrophobicContact CB-CD1 3.92Å; A303-F375 HydrophobicContact CB-CE1 3.82Å; A303-F375 HydrophobicContact CB-CG 4.37Å; A303-F375 HydrophobicContact CB-CZ 4.15Å; F371-F375 HydrophobicContact CZ-CD2 4.47Å; F371-F375 VanDerWaalsContact O-CB 3.3Å; F371-F375 WeakPolarHBondContact O-CB 3.37Å; F371-F375 PolarHBondContact O-N 3.25Å; M372-F375 PolarHBondContact O-N 3.48Å; S373-F375 PolarHBondContact O-N 3.49Å; F375-V378 PolarHBondContact O-N 2.76Å; F375-W379 HydrophobicContact CD1-CB 4.46Å; F375-W379 HydrophobicContact CE1-CB 4.16Å; F375-W379 HydrophobicContact CE1-CG 4.39Å; F375-W379 WeakPolarHBondContact O-CB 3.21Å; F375-W379 PolarHBondContact O-N 2.95Å |
| 376 | I | 96 | Very high | 93.2 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -71 | -37.1 | -177.5 | -69.3 | -79.4 | 0 | 0 | 0 | 112 | A300 M372 S373 C374 V378 W379 E380 T659 I662 | A300-I376 HydrophobicContact CB-CD1 4Å; M372-I376 HydrophobicContact CE-CD1 3.76Å; M372-I376 HydrophobicContact CE-CG1 3.72Å; M372-I376 HydrophobicContact CG-CG1 4.42Å; M372-I376 WeakPolarHBondContact O-CB 3.33Å; M372-I376 VanDerWaalsContact O-CG1 3.29Å; M372-I376 WeakPolarHBondContact O-CG1 3.33Å; M372-I376 PolarHBondContact O-N 3.49Å; M372-I376 HydrophobicContact SD-CG1 4.02Å; S373-I376 PolarHBondContact O-N 3Å; C374-I376 VanDerWaalsContact C-N 3.33Å; C374-I376 PolarHBondContact O-N 3.49Å; I376-V378 VanDerWaalsContact C-N 3.32Å; I376-V378 PolarHBondContact O-N 3.12Å; I376-W379 PolarHBondContact O-N 3.44Å; I376-E380 WeakPolarHBondContact O-CB 3.12Å; I376-E380 WeakPolarHBondContact O-CG 3.21Å; I376-E380 PolarHBondContact O-N 3.02Å; I376-T659 HydrophobicContact CG2-CG2 4.1Å; I376-I662 HydrophobicContact CB-CG1 4.45Å; I376-I662 HydrophobicContact CB-CG2 3.97Å; I376-I662 HydrophobicContact CD1-CG1 4.14Å; I376-I662 HydrophobicContact CG1-CB 4.46Å; I376-I662 HydrophobicContact CG1-CG1 3.72Å; I376-I662 HydrophobicContact CG1-CG2 4.12Å; I376-I662 HydrophobicContact CG2-CB 4.44Å; I376-I662 HydrophobicContact CG2-CG1 4.47Å; I376-I662 HydrophobicContact CG2-CG2 3.92Å |
| 377 | I | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.8 | -38.8 | 174 | -69.1 | 169 | 0 | 0 | 0 | 111.3 | S373 C374 E380 V381 V716 F810 T814 | S373-I377 WeakPolarHBondContact O-CD1 3.21Å; S373-I377 VanDerWaalsContact O-CG1 3.25Å; S373-I377 WeakPolarHBondContact O-CG1 3.42Å; S373-I377 PolarHBondContact O-N 3.21Å; C374-I377 PolarHBondContact O-N 3.34Å; I377-E380 WeakPolarHBondContact O-CG 3.26Å; I377-V381 WeakPolarHBondContact O-CG2 3.31Å; I377-V716 HydrophobicContact CG2-CG2 4.24Å; I377-F810 HydrophobicContact CD1-CB 3.91Å; I377-F810 HydrophobicContact CD1-CD1 3.6Å; I377-F810 HydrophobicContact CD1-CD2 3.18Å; I377-F810 HydrophobicContact CD1-CE1 3.8Å; I377-F810 HydrophobicContact CD1-CE2 3.38Å; I377-F810 HydrophobicContact CD1-CG 3.29Å; I377-F810 HydrophobicContact CD1-CZ 3.69Å; I377-F810 HydrophobicContact CG2-CB 4.29Å; I377-T814 HydrophobicContact CG2-CG2 3.67Å |
| 378 | V | 95 | Very high | 93.8 | Very high | 46 Ų | 46 | 26.1 Ų | 26.1 | 28% | 0.279 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -67.3 | -47.2 | 172.1 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | C374 F375 I376 E380 V381 I382 I813 I817 | C374-V378 WeakPolarHBondContact O-CG2 3.46Å; C374-V378 PolarHBondContact O-N 3.02Å; C374-V378 VanDerWaalsContact O-N 3.07Å; F375-V378 PolarHBondContact O-N 2.76Å; I376-V378 VanDerWaalsContact C-N 3.32Å; I376-V378 PolarHBondContact O-N 3.12Å; V378-E380 PolarHBondContact O-N 3.48Å; V378-V381 PolarHBondContact O-N 3.31Å; V378-I382 HydrophobicContact CG1-CD1 3.63Å; V378-I382 HydrophobicContact CG1-CG1 4.42Å; V378-I382 VanDerWaalsContact O-CG1 3.29Å; V378-I382 WeakPolarHBondContact O-CG1 3.37Å; V378-I382 PolarHBondContact O-N 3.49Å; V378-I813 HydrophobicContact CG2-CG2 3.6Å; V378-I817 HydrophobicContact CB-CD1 4.22Å; V378-I817 HydrophobicContact CG1-CD1 3.88Å; V378-I817 HydrophobicContact CG2-CD1 4.03Å |
| 379 | W | 96.7 | Very high | 93.8 | Very high | 11 Ų | 11 | 27.8 Ų | 27.8 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.8 | -41.8 | -177.1 | 174.6 | 92.6 | 0 | 0 | 0 | 112.5 | Y293 M296 L297 A300 F375 I376 I382 F383 F655 T659 | Y293-W379 HydrophobicContact CE2-CH2 4.22Å; M296-W379 HydrophobicContact CB-CZ2 3.95Å; M296-W379 WeakPolarHBondContact O-CZ2 3.45Å; M296-W379 PolarHBondContact O-NE1 3.29Å; L297-W379 HydrophobicContact CD2-CH2 4.2Å; L297-W379 HydrophobicContact CD2-CZ2 4.28Å; A300-W379 HydrophobicContact CB-CD2 4.42Å; A300-W379 HydrophobicContact CB-CZ2 4.49Å; F375-W379 HydrophobicContact CD1-CB 4.46Å; F375-W379 HydrophobicContact CE1-CB 4.16Å; F375-W379 HydrophobicContact CE1-CG 4.39Å; F375-W379 WeakPolarHBondContact O-CB 3.21Å; F375-W379 PolarHBondContact O-N 2.95Å; I376-W379 PolarHBondContact O-N 3.44Å; W379-I382 PolarHBondContact O-N 3.43Å; W379-F383 HydrophobicContact CH2-CD2 4.36Å; W379-F383 HydrophobicContact CH2-CG 4.34Å; W379-F383 HydrophobicContact CZ2-CD2 4.32Å; W379-F383 WeakPolarHBondContact O-CB 3.35Å; W379-F383 PolarHBondContact O-N 2.73Å; W379-F655 HydrophobicContact CH2-CD2 4.4Å; W379-F655 AromaticContact CH2-CE2 3.94Å; W379-F655 HydrophobicContact CH2-CE2 3.94Å; W379-F655 HydrophobicContact CZ3-CD2 4.42Å; W379-F655 AromaticContact CZ3-CE2 3.68Å; W379-F655 HydrophobicContact CZ3-CE2 3.68Å; W379-F655 HydrophobicContact CZ3-CZ 4.39Å; W379-T659 HydrophobicContact CZ3-CG2 4.16Å |
| 380 | E | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.2 | -36.6 | -176.9 | 72.2 | -173.7 | 178.2 | 0 | 0 | 112 | I376 I377 V378 F383 L384 F655 T659 V712 S715 | I376-E380 WeakPolarHBondContact O-CB 3.12Å; I376-E380 WeakPolarHBondContact O-CG 3.21Å; I376-E380 PolarHBondContact O-N 3.02Å; I377-E380 WeakPolarHBondContact O-CG 3.26Å; V378-E380 PolarHBondContact O-N 3.48Å; E380-F383 WeakPolarHBondContact O-CB 3.41Å; E380-F383 PolarHBondContact O-N 3.22Å; E380-L384 WeakPolarHBondContact O-CG 3.08Å; E380-L384 PolarHBondContact O-N 2.92Å; E380-F655 HydrophobicContact CB-CZ 4.19Å; E380-T659 HydrophobicContact CB-CG2 4.36Å; E380-V712 HydrophobicContact CB-CG2 3.86Å; E380-V712 HydrophobicContact CG-CB 4.39Å; E380-V712 HydrophobicContact CG-CG1 3.9Å; E380-V712 HydrophobicContact CG-CG2 3.77Å; E380-S715 VanDerWaalsContact OE2-CB 3.29Å; E380-S715 WeakPolarHBondContact OE2-CB 3.23Å; E380-S715 PolarHBondContact OE2-OG 3.36Å |
| 381 | V | 94.4 | Very high | 93.9 | Very high | 9 Ų | 9 | 26.1 Ų | 26.1 | 6% | 0.055 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -70.2 | -42.8 | 174.8 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | I377 V378 F383 L384 K385 V712 T814 I817 | I377-V381 WeakPolarHBondContact O-CG2 3.31Å; V378-V381 PolarHBondContact O-N 3.31Å; V381-F383 VanDerWaalsContact C-N 3.35Å; V381-L384 PolarHBondContact O-N 2.98Å; V381-K385 WeakPolarHBondContact O-CB 3.09Å; V381-K385 WeakPolarHBondContact O-CG 3.47Å; V381-K385 PolarHBondContact O-N 3.46Å; V381-V712 HydrophobicContact CG2-CG1 4.43Å; V381-T814 HydrophobicContact CG2-CG2 3.57Å; V381-I817 HydrophobicContact CB-CG2 4.27Å; V381-I817 HydrophobicContact CG1-CB 3.92Å; V381-I817 HydrophobicContact CG1-CG2 3.61Å |
| 382 | I | 93.4 | Very high | 93.8 | Very high | 46 Ų | 46 | 21.6 Ų | 21.6 | 24% | 0.236 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.8 | -46.5 | 173.8 | -70.2 | 174 | 0 | 0 | 0 | 109.9 | M296 V378 W379 L384 K385 F386 I817 | M296-I382 HydrophobicContact CE-CG2 4.15Å; V378-I382 HydrophobicContact CG1-CD1 3.63Å; V378-I382 HydrophobicContact CG1-CG1 4.42Å; V378-I382 VanDerWaalsContact O-CG1 3.29Å; V378-I382 WeakPolarHBondContact O-CG1 3.37Å; V378-I382 PolarHBondContact O-N 3.49Å; W379-I382 PolarHBondContact O-N 3.43Å; I382-L384 PolarHBondContact O-N 2.79Å; I382-K385 PolarHBondContact O-N 3Å; I382-F386 HydrophobicContact CG2-CD1 4.19Å; I382-F386 HydrophobicContact CG2-CD2 3.4Å; I382-F386 VanDerWaalsContact CG2-CD2 3.4Å; I382-F386 HydrophobicContact CG2-CE1 4.18Å; I382-F386 HydrophobicContact CG2-CE2 3.39Å; I382-F386 HydrophobicContact CG2-CG 3.84Å; I382-F386 HydrophobicContact CG2-CZ 3.81Å; I382-F386 WeakPolarHBondContact O-CB 3.29Å; I382-F386 WeakPolarHBondContact O-CG 3.39Å; I382-F386 PolarHBondContact O-N 3.08Å; I382-I817 HydrophobicContact CG1-CG2 4.02Å |
| 383 | F | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -53.7 | -51.9 | 177 | 167.9 | -97.7 | 0 | 0 | 0 | 111.6 | F289 F292 Y293 M296 W379 E380 V381 K385 F386 W387 F655 F708 | F289-F383 HydrophobicContact CE2-CE1 4.43Å; F289-F383 AromaticContact CE2-CZ 3.79Å; F289-F383 HydrophobicContact CE2-CZ 3.79Å; F289-F383 HydrophobicContact CZ-CE1 4.45Å; F289-F383 AromaticContact CZ-CZ 3.78Å; F289-F383 HydrophobicContact CZ-CZ 3.78Å; F292-F383 HydrophobicContact CD1-CD2 4.14Å; F292-F383 AromaticContact CD1-CE2 3.64Å; F292-F383 HydrophobicContact CD1-CE2 3.64Å; F292-F383 HydrophobicContact CD1-CZ 4.41Å; F292-F383 AromaticContact CE1-CD2 3.43Å; F292-F383 HydrophobicContact CE1-CD2 3.43Å; F292-F383 VanDerWaalsContact CE1-CD2 3.43Å; F292-F383 AromaticContact CE1-CE2 3.37Å; F292-F383 HydrophobicContact CE1-CE2 3.37Å; F292-F383 HydrophobicContact CE1-CG 4.3Å; F292-F383 HydrophobicContact CE1-CZ 4.23Å; F292-F383 HydrophobicContact CZ-CD2 4.23Å; Y293-F383 AromaticContact CD2-CE2 3.68Å; Y293-F383 HydrophobicContact CD2-CE2 3.68Å; Y293-F383 AromaticContact CD2-CZ 3.84Å; Y293-F383 HydrophobicContact CD2-CZ 3.84Å; Y293-F383 HydrophobicContact CG-CE2 4.29Å; Y293-F383 HydrophobicContact CG-CZ 4.34Å; M296-F383 HydrophobicContact CB-CD2 3.77Å; M296-F383 HydrophobicContact CB-CE2 4.33Å; M296-F383 HydrophobicContact CE-CB 4.26Å; M296-F383 HydrophobicContact CG-CD2 3.95Å; W379-F383 HydrophobicContact CH2-CD2 4.36Å; W379-F383 HydrophobicContact CH2-CG 4.34Å; W379-F383 HydrophobicContact CZ2-CD2 4.32Å; W379-F383 WeakPolarHBondContact O-CB 3.35Å; W379-F383 PolarHBondContact O-N 2.73Å; E380-F383 WeakPolarHBondContact O-CB 3.41Å; E380-F383 PolarHBondContact O-N 3.22Å; V381-F383 VanDerWaalsContact C-N 3.35Å; F383-K385 PolarHBondContact O-N 2.85Å; F383-F386 PolarHBondContact O-N 2.84Å; F383-W387 WeakPolarHBondContact O-CB 3.11Å; F383-W387 PolarHBondContact O-N 3.45Å; F383-F655 HydrophobicContact CD1-CD2 4.48Å; F383-F655 AromaticContact CD1-CE2 3.57Å; F383-F655 HydrophobicContact CD1-CE2 3.57Å; F383-F655 HydrophobicContact CD1-CZ 4.02Å; F383-F655 HydrophobicContact CE1-CD2 4.07Å; F383-F655 AromaticContact CE1-CE2 3.56Å; F383-F655 HydrophobicContact CE1-CE2 3.56Å; F383-F655 HydrophobicContact CE1-CZ 4.18Å; F383-F655 HydrophobicContact CG-CE2 4.32Å; F383-F655 HydrophobicContact CZ-CE2 4.32Å; F383-F708 HydrophobicContact CE1-CD1 4.44Å |
| 384 | L | 94.4 | Very high | 93.3 | Very high | 17 Ų | 17 | 22.2 Ų | 22.2 | 9% | 0.089 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 177.9 | -80 | 180 | 0 | 0 | 0 | 112.5 | E380 V381 I382 W387 K388 F708 E709 V712 | E380-L384 WeakPolarHBondContact O-CG 3.08Å; E380-L384 PolarHBondContact O-N 2.92Å; V381-L384 PolarHBondContact O-N 2.98Å; I382-L384 PolarHBondContact O-N 2.79Å; L384-W387 PolarHBondContact O-N 3.33Å; L384-K388 WeakPolarHBondContact O-CG 2.97Å; L384-K388 PolarHBondContact O-N 2.93Å; L384-F708 HydrophobicContact CD2-CB 3.58Å; L384-E709 HydrophobicContact CD1-CG 4Å; L384-V712 HydrophobicContact CD1-CB 4.08Å; L384-V712 HydrophobicContact CD1-CG1 4.42Å; L384-V712 HydrophobicContact CD1-CG2 3.58Å; L384-V712 HydrophobicContact CG-CG2 4.29Å |
| 385 | K | 92.3 | Very high | 93.1 | Very high | 31 Ų | 31 | 20.6 Ų | 20.6 | 14% | 0.135 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.7 | -40.4 | -178.6 | -72.5 | -73.2 | 173.4 | 164.4 | 0 | 112.2 | V381 I382 F383 K388 R389 S818 I821 D823 | V381-K385 WeakPolarHBondContact O-CB 3.09Å; V381-K385 WeakPolarHBondContact O-CG 3.47Å; V381-K385 PolarHBondContact O-N 3.46Å; I382-K385 PolarHBondContact O-N 3Å; F383-K385 PolarHBondContact O-N 2.85Å; K385-K388 PolarHBondContact O-N 2.91Å; K385-R389 WeakPolarHBondContact O-CG 3.23Å; K385-R389 PolarHBondContact O-N 2.86Å; K385-R389 VanDerWaalsContact O-N 3.12Å; K385-S818 VanDerWaalsContact CE-O 3.32Å; K385-S818 WeakPolarHBondContact CE-O 3.49Å; K385-S818 PolarHBondContact NZ-O 3.47Å; K385-I821 HydrophobicContact CB-CB 4.14Å; K385-I821 HydrophobicContact CB-CD1 4.31Å; K385-I821 HydrophobicContact CB-CG2 3.84Å; K385-I821 HydrophobicContact CD-CB 4.4Å; K385-I821 HydrophobicContact CG-CB 4.31Å; K385-I821 HydrophobicContact CG-CG2 4.49Å; K385-D823 WeakPolarHBondContact CD-OD1 3.48Å; K385-D823 IonicContact NZ-OD1 3.55Å; K385-D823 PolarHBondContact NZ-OD1 2.58Å |
| 386 | F | 92.6 | Very high | 92.8 | Very high | 39 Ų | 39 | 19 Ų | 19 | 17% | 0.171 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -69.7 | -35.1 | 177.4 | -75.9 | 3.3 | 0 | 0 | 0 | 111.7 | F142 F292 M296 I382 F383 R389 T390 I821 | F142-F386 HydrophobicContact CE1-CB 3.7Å; F142-F386 HydrophobicContact CE1-CD1 4.47Å; F142-F386 HydrophobicContact CE1-CD2 4.04Å; F142-F386 AromaticContact CE1-CG 3.89Å; F142-F386 HydrophobicContact CE1-CG 3.89Å; F142-F386 AromaticContact CE2-CD2 3.95Å; F142-F386 HydrophobicContact CE2-CD2 3.95Å; F142-F386 HydrophobicContact CE2-CE1 4.43Å; F142-F386 AromaticContact CE2-CE2 3.82Å; F142-F386 HydrophobicContact CE2-CE2 3.82Å; F142-F386 HydrophobicContact CE2-CG 4.31Å; F142-F386 HydrophobicContact CE2-CZ 4.07Å; F142-F386 HydrophobicContact CZ-CB 3.66Å; F142-F386 AromaticContact CZ-CD1 3.66Å; F142-F386 HydrophobicContact CZ-CD1 3.66Å; F142-F386 AromaticContact CZ-CD2 3.24Å; F142-F386 HydrophobicContact CZ-CD2 3.24Å; F142-F386 AromaticContact CZ-CE1 3.96Å; F142-F386 HydrophobicContact CZ-CE1 3.96Å; F142-F386 AromaticContact CZ-CE2 3.58Å; F142-F386 HydrophobicContact CZ-CE2 3.58Å; F142-F386 AromaticContact CZ-CG 3.28Å; F142-F386 HydrophobicContact CZ-CG 3.28Å; F142-F386 AromaticContact CZ-CZ 3.92Å; F142-F386 HydrophobicContact CZ-CZ 3.92Å; F292-F386 HydrophobicContact CE2-CB 4Å; F292-F386 HydrophobicContact CZ-CB 3.62Å; M296-F386 HydrophobicContact CE-CD2 4.38Å; M296-F386 HydrophobicContact SD-CD2 4.47Å; I382-F386 HydrophobicContact CG2-CD1 4.19Å; I382-F386 HydrophobicContact CG2-CD2 3.4Å; I382-F386 VanDerWaalsContact CG2-CD2 3.4Å; I382-F386 HydrophobicContact CG2-CE1 4.18Å; I382-F386 HydrophobicContact CG2-CE2 3.39Å; I382-F386 HydrophobicContact CG2-CG 3.84Å; I382-F386 HydrophobicContact CG2-CZ 3.81Å; I382-F386 WeakPolarHBondContact O-CB 3.29Å; I382-F386 WeakPolarHBondContact O-CG 3.39Å; I382-F386 PolarHBondContact O-N 3.08Å; F383-F386 PolarHBondContact O-N 2.84Å; F386-R389 PolarHBondContact O-N 3.45Å; F386-T390 WeakPolarHBondContact O-CB 3.46Å; F386-T390 PolarHBondContact O-N 3.26Å; F386-T390 PolarHBondContact O-OG1 3.22Å; F386-I821 HydrophobicContact CD1-CD1 4.47Å; F386-I821 HydrophobicContact CE1-CD1 3.98Å; F386-I821 HydrophobicContact CE1-CG2 4.45Å |
| 387 | W | 94.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 0% | 0.004 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.3 | -50.6 | 170.7 | 176.3 | -116 | 0 | 0 | 0 | 111.5 | A288 F289 F292 F383 L384 R389 T390 E391 I701 N705 | A288-W387 HydrophobicContact CB-CH2 4.33Å; F289-W387 HydrophobicContact CB-CH2 3.45Å; F289-W387 VanDerWaalsContact CB-CH2 3.45Å; F289-W387 HydrophobicContact CB-CZ2 3.71Å; F289-W387 HydrophobicContact CB-CZ3 3.94Å; F289-W387 AromaticContact CD2-CD2 3.57Å; F289-W387 HydrophobicContact CD2-CD2 3.57Å; F289-W387 AromaticContact CD2-CE2 3.46Å; F289-W387 VanDerWaalsContact CD2-CE2 3.46Å; F289-W387 AromaticContact CD2-CE3 3.88Å; F289-W387 HydrophobicContact CD2-CE3 3.88Å; F289-W387 HydrophobicContact CD2-CG 4.13Å; F289-W387 AromaticContact CD2-CH2 3.99Å; F289-W387 HydrophobicContact CD2-CH2 3.99Å; F289-W387 AromaticContact CD2-CZ2 3.68Å; F289-W387 HydrophobicContact CD2-CZ2 3.68Å; F289-W387 HydrophobicContact CD2-CZ3 4.09Å; F289-W387 AromaticContact CD2-NE1 3.89Å; F289-W387 HydrophobicContact CE2-CD2 4.15Å; F289-W387 HydrophobicContact CE2-CG 4.23Å; F289-W387 HydrophobicContact CG-CH2 4.24Å; F289-W387 HydrophobicContact CG-CZ2 4.17Å; F292-W387 HydrophobicContact CB-CE3 3.92Å; F292-W387 HydrophobicContact CB-CZ3 3.96Å; F292-W387 HydrophobicContact CD1-CB 4.09Å; F292-W387 HydrophobicContact CD1-CD2 4.32Å; F292-W387 AromaticContact CD1-CE3 3.62Å; F292-W387 HydrophobicContact CD1-CE3 3.62Å; F292-W387 HydrophobicContact CD1-CZ3 4.48Å; F292-W387 HydrophobicContact CD2-CE3 4.47Å; F292-W387 HydrophobicContact CE1-CB 3.6Å; F292-W387 HydrophobicContact CE1-CE3 4.28Å; F292-W387 HydrophobicContact CE1-CG 4.46Å; F292-W387 AromaticContact CG-CE3 3.74Å; F292-W387 HydrophobicContact CG-CE3 3.74Å; F292-W387 HydrophobicContact CG-CZ3 4.29Å; F292-W387 HydrophobicContact CZ-CB 4.14Å; F383-W387 WeakPolarHBondContact O-CB 3.11Å; F383-W387 PolarHBondContact O-N 3.45Å; L384-W387 PolarHBondContact O-N 3.33Å; W387-R389 PolarHBondContact O-N 2.93Å; W387-T390 HydrophobicContact CE3-CG2 4.47Å; W387-T390 HydrophobicContact CZ3-CG2 4.25Å; W387-T390 CarbonylContact O-C 3.52Å; W387-T390 WeakPolarHBondContact O-CA 3.38Å; W387-T390 WeakPolarHBondContact O-CB 3.36Å; W387-T390 PolarHBondContact O-N 2.59Å; W387-E391 HydrophobicContact CZ2-CB 4.34Å; W387-E391 WeakPolarHBondContact O-CB 3.06Å; W387-E391 PolarHBondContact O-N 3.05Å; W387-I701 HydrophobicContact CZ2-CD1 4.22Å; W387-I701 HydrophobicContact CZ2-CG1 4.38Å; W387-I701 HydrophobicContact CZ2-CG2 3.8Å; W387-I701 VanDerWaalsContact NE1-CD1 3.26Å; W387-N705 PolarHBondContact NE1-OD1 3.48Å; W387-N705 VanDerWaalsContact NE1-OD1 3.09Å |
| 388 | K | 92.8 | Very high | 91.7 | Very high | 42 Ų | 42 | 21 Ų | 21 | 18% | 0.183 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -54.8 | -39.7 | 177.2 | -75.4 | -176.6 | 178.1 | -176.7 | 0 | 112.9 | L384 K385 E391 A392 E709 D823 | L384-K388 WeakPolarHBondContact O-CG 2.97Å; L384-K388 PolarHBondContact O-N 2.93Å; K385-K388 PolarHBondContact O-N 2.91Å; K388-E391 PolarHBondContact O-N 3.18Å; K388-A392 WeakPolarHBondContact O-CB 3.2Å; K388-A392 PolarHBondContact O-N 2.89Å; K388-E709 WeakPolarHBondContact CE-OE1 3.41Å; K388-E709 IonicContact NZ-OE1 3.93Å; K388-E709 PolarHBondContact NZ-OE1 2.82Å; K388-D823 CarbonylContact C-O 3.59Å; K388-D823 HydrophobicContact CB-CB 4.46Å; K388-D823 HydrophobicContact CD-CB 4.41Å; K388-D823 IonicContact NZ-OD2 2.91Å |
| 389 | R | 91.5 | Very high | 91.3 | Very high | 57 Ų | 57 | 19.4 Ų | 19.4 | 22% | 0.215 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.6 | -43.1 | 175.4 | -70 | 170.8 | 68.8 | 89.3 | -6.3 | 112.4 | K385 F386 W387 A392 S393 S822 D823 | K385-R389 WeakPolarHBondContact O-CG 3.23Å; K385-R389 PolarHBondContact O-N 2.86Å; K385-R389 VanDerWaalsContact O-N 3.12Å; F386-R389 PolarHBondContact O-N 3.45Å; W387-R389 PolarHBondContact O-N 2.93Å; R389-A392 PolarHBondContact O-N 3.11Å; R389-S393 WeakPolarHBondContact O-CB 3.28Å; R389-S393 PolarHBondContact O-N 2.64Å; R389-S822 WeakPolarHBondContact CD-O 3.2Å; R389-S822 WeakPolarHBondContact CG-O 3.29Å; R389-S822 PolarHBondContact NH1-O 2.84Å; R389-D823 VanDerWaalsContact CA-O 3.31Å; R389-D823 WeakPolarHBondContact CA-O 3.5Å; R389-D823 WeakPolarHBondContact CG-O 3.28Å; R389-D823 PolarHBondContact N-O 3.05Å |
| 390 | T | 89.7 | Confident | 90.9 | Very high | 11 Ų | 11 | 18.9 Ų | 18.9 | 7% | 0.067 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.5 | -43.6 | 176.8 | -54.7 | 0 | 0 | 0 | 0 | 110.7 | F386 W387 A392 S393 L394 | F386-T390 WeakPolarHBondContact O-CB 3.46Å; F386-T390 PolarHBondContact O-N 3.26Å; F386-T390 PolarHBondContact O-OG1 3.22Å; W387-T390 HydrophobicContact CE3-CG2 4.47Å; W387-T390 HydrophobicContact CZ3-CG2 4.25Å; W387-T390 CarbonylContact O-C 3.52Å; W387-T390 WeakPolarHBondContact O-CA 3.38Å; W387-T390 WeakPolarHBondContact O-CB 3.36Å; W387-T390 PolarHBondContact O-N 2.59Å; T390-A392 PolarHBondContact O-N 2.95Å; T390-S393 WeakPolarHBondContact O-CB 3.39Å; T390-S393 PolarHBondContact O-N 2.8Å; T390-L394 HydrophobicContact CG2-CD1 4.04Å; T390-L394 HydrophobicContact CG2-CG 4.41Å; T390-L394 VanDerWaalsContact O-CG 3.3Å; T390-L394 WeakPolarHBondContact O-CG 3.41Å; T390-L394 PolarHBondContact O-N 3.5Å |
| 391 | E | 92.9 | Very high | 90.5 | Very high | 25 Ų | 25 | 20.9 Ų | 20.9 | 12% | 0.117 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.5 | -46.7 | 175.9 | -177.4 | 179.3 | -120.8 | 0 | 0 | 111.2 | F285 W387 K388 S393 L394 A395 G700 I701 N705 | F285-E391 HydrophobicContact CD1-CG 4.47Å; F285-E391 HydrophobicContact CE1-CG 3.98Å; W387-E391 HydrophobicContact CZ2-CB 4.34Å; W387-E391 WeakPolarHBondContact O-CB 3.06Å; W387-E391 PolarHBondContact O-N 3.05Å; K388-E391 PolarHBondContact O-N 3.18Å; E391-S393 PolarHBondContact O-N 3.23Å; E391-L394 PolarHBondContact O-N 3.33Å; E391-A395 WeakPolarHBondContact O-CB 3.38Å; E391-A395 PolarHBondContact O-N 2.97Å; E391-G700 WeakPolarHBondContact OE1-CA 3.47Å; E391-I701 PolarHBondContact OE1-N 2.94Å; E391-N705 PolarHBondContact OE1-ND2 3.1Å; E391-N705 VanDerWaalsContact OE1-ND2 3.13Å; E391-N705 PolarHBondContact OE2-ND2 3.42Å |
| 392 | A | 89.9 | Confident | 89.9 | Confident | 19 Ų | 19 | 22.7 Ų | 22.7 | 16% | 0.157 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.7 | -38.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | K388 R389 T390 F396 R824 | K388-A392 WeakPolarHBondContact O-CB 3.2Å; K388-A392 PolarHBondContact O-N 2.89Å; R389-A392 PolarHBondContact O-N 3.11Å; T390-A392 PolarHBondContact O-N 2.95Å; A392-F396 PolarHBondContact O-N 3Å; A392-F396 VanDerWaalsContact O-N 3.15Å; A392-R824 HydrophobicContact CB-CG 4.06Å |
| 393 | S | 88.4 | Confident | 89.1 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.007 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.3 | -54.1 | 173.8 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | D144 R389 T390 E391 A395 F396 E397 W827 | D144-S393 PolarHBondContact OD2-OG 2.74Å; D144-S393 VanDerWaalsContact OD2-OG 3.11Å; R389-S393 WeakPolarHBondContact O-CB 3.28Å; R389-S393 PolarHBondContact O-N 2.64Å; T390-S393 WeakPolarHBondContact O-CB 3.39Å; T390-S393 PolarHBondContact O-N 2.8Å; E391-S393 PolarHBondContact O-N 3.23Å; S393-A395 PolarHBondContact O-N 3.34Å; S393-F396 PolarHBondContact O-N 3.44Å; S393-E397 WeakPolarHBondContact O-CG 3.35Å; S393-E397 PolarHBondContact O-N 3.34Å; S393-W827 WeakPolarHBondContact OG-CH2 3.26Å; S393-W827 WeakPolarHBondContact OG-CZ2 3.42Å |
| 394 | L | 89.2 | Confident | 87.5 | Confident | 12 Ų | 12 | 28.7 Ų | 28.7 | 6% | 0.063 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.5 | -40.2 | 179.3 | -66.6 | 173.7 | 0 | 0 | 0 | 112.3 | F285 A288 T390 E391 F396 E397 W398 | F285-L394 HydrophobicContact CE1-CB 3.84Å; F285-L394 HydrophobicContact CE1-CD1 4.43Å; F285-L394 HydrophobicContact CZ-CB 4.28Å; A288-L394 HydrophobicContact CB-CD1 3.56Å; T390-L394 HydrophobicContact CG2-CD1 4.04Å; T390-L394 HydrophobicContact CG2-CG 4.41Å; T390-L394 VanDerWaalsContact O-CG 3.3Å; T390-L394 WeakPolarHBondContact O-CG 3.41Å; T390-L394 PolarHBondContact O-N 3.5Å; E391-L394 PolarHBondContact O-N 3.33Å; L394-F396 VanDerWaalsContact C-N 3.29Å; L394-F396 PolarHBondContact O-N 3.48Å; L394-E397 PolarHBondContact O-N 2.91Å; L394-W398 HydrophobicContact CB-CD2 4.39Å; L394-W398 HydrophobicContact CB-CE3 4.49Å; L394-W398 HydrophobicContact CB-CH2 4.48Å; L394-W398 HydrophobicContact CB-CZ2 4.35Å; L394-W398 HydrophobicContact CD1-CH2 4.26Å; L394-W398 HydrophobicContact CD1-CZ2 4.35Å; L394-W398 HydrophobicContact CD2-CH2 4.49Å; L394-W398 HydrophobicContact CD2-CZ2 3.8Å; L394-W398 HydrophobicContact CG-CZ2 4.4Å; L394-W398 VanDerWaalsContact O-CB 3.24Å; L394-W398 WeakPolarHBondContact O-CB 3.2Å; L394-W398 PolarHBondContact O-N 3.03Å |
| 395 | A | 90.5 | Very high | 85.6 | Confident | 6 Ų | 6 | 36 Ų | 36 | 5% | 0.05 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.9 | -38.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F285 E391 S393 G399 T400 D401 S699 | F285-A395 HydrophobicContact CZ-CB 4.11Å; E391-A395 WeakPolarHBondContact O-CB 3.38Å; E391-A395 PolarHBondContact O-N 2.97Å; S393-A395 PolarHBondContact O-N 3.34Å; A395-G399 PolarHBondContact O-N 3.35Å; A395-T400 WeakPolarHBondContact CA-OG1 3.41Å; A395-T400 PolarHBondContact O-N 2.71Å; A395-T400 PolarHBondContact O-OG1 2.71Å; A395-T400 VanDerWaalsContact O-OG1 3.06Å; A395-D401 PolarHBondContact O-N 3.01Å; A395-S699 WeakPolarHBondContact CB-O 3.48Å |
| 396 | F | 87.7 | Confident | 84 | Confident | 25 Ų | 25 | 37.8 Ų | 37.8 | 11% | 0.11 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.7 | -50.4 | 174.5 | 176.3 | -103.1 | 0 | 0 | 0 | 111.5 | A392 S393 L394 W398 G399 V828 R831 I832 | A392-F396 PolarHBondContact O-N 3Å; A392-F396 VanDerWaalsContact O-N 3.15Å; S393-F396 PolarHBondContact O-N 3.44Å; L394-F396 VanDerWaalsContact C-N 3.29Å; L394-F396 PolarHBondContact O-N 3.48Å; F396-W398 VanDerWaalsContact C-N 3.27Å; F396-W398 PolarHBondContact O-N 3.5Å; F396-G399 PolarHBondContact O-N 3.18Å; F396-G399 VanDerWaalsContact O-N 3.09Å; F396-V828 HydrophobicContact CB-CG1 4.04Å; F396-V828 HydrophobicContact CG-CG1 4.27Å; F396-R831 HydrophobicContact CE1-CB 3.63Å; F396-R831 HydrophobicContact CE1-CG 4.43Å; F396-R831 HydrophobicContact CZ-CB 3.62Å; F396-I832 HydrophobicContact CD2-CD1 4.2Å; F396-I832 HydrophobicContact CD2-CG1 3.4Å; F396-I832 HydrophobicContact CE2-CB 4.34Å; F396-I832 HydrophobicContact CE2-CG1 3.52Å; F396-I832 HydrophobicContact CG-CG1 4.32Å |
| 397 | E | 82.1 | Confident | 82.4 | Confident | 36 Ų | 36 | 42.2 Ų | 42.2 | 17% | 0.168 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.9 | -33.9 | -179.6 | -72.1 | -174.3 | 176.8 | 0 | 0 | 113.3 | L156 S393 L394 G399 | L156-E397 WeakPolarHBondContact CD1-O 3.46Å; S393-E397 WeakPolarHBondContact O-CG 3.35Å; S393-E397 PolarHBondContact O-N 3.34Å; L394-E397 PolarHBondContact O-N 2.91Å; E397-G399 VanDerWaalsContact C-N 3.31Å |
| 398 | W | 86 | Confident | 81.3 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 3% | 0.03 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -3.8 | 179.7 | -61.1 | -5 | 0 | 0 | 0 | 113.3 | R177 Y276 H281 G284 F285 A288 L394 F396 | R177-W398 PolarHBondContact NH1-O 3.44Å; Y276-W398 AromaticContact CD1-CD1 3.8Å; Y276-W398 AromaticContact CD1-CD2 3.93Å; Y276-W398 HydrophobicContact CD1-CD2 3.93Å; Y276-W398 AromaticContact CD1-CE2 3.37Å; Y276-W398 HydrophobicContact CD1-CG 4.16Å; Y276-W398 AromaticContact CD1-CZ2 3.75Å; Y276-W398 HydrophobicContact CD1-CZ2 3.75Å; Y276-W398 AromaticContact CD1-NE1 3.33Å; Y276-W398 VanDerWaalsContact CD1-NE1 3.33Å; Y276-W398 HydrophobicContact CD2-CD2 4.34Å; Y276-W398 HydrophobicContact CD2-CG 4.29Å; Y276-W398 AromaticContact CE1-CD1 3.44Å; Y276-W398 VanDerWaalsContact CE1-CD1 3.44Å; Y276-W398 HydrophobicContact CE1-CD2 4.34Å; Y276-W398 AromaticContact CE1-CE2 3.84Å; Y276-W398 HydrophobicContact CE1-CG 4.1Å; Y276-W398 AromaticContact CE1-NE1 3.27Å; Y276-W398 VanDerWaalsContact CE1-NE1 3.27Å; Y276-W398 HydrophobicContact CE2-CG 4.32Å; Y276-W398 AromaticContact CG-CD2 3.95Å; Y276-W398 HydrophobicContact CG-CD2 3.95Å; Y276-W398 AromaticContact CG-CE2 3.82Å; Y276-W398 HydrophobicContact CG-CE3 4.44Å; Y276-W398 HydrophobicContact CG-CG 4.27Å; Y276-W398 HydrophobicContact CG-CZ2 4.18Å; Y276-W398 AromaticContact CZ-CD1 3.76Å; H281-W398 AromaticContact CD2-CE3 3.9Å; H281-W398 PolarHBondContact NE2-O 3.46Å; G284-W398 VanDerWaalsContact C-CH2 3.44Å; F285-W398 HydrophobicContact CB-CZ3 4.4Å; F285-W398 AromaticContact CD1-CZ3 3.97Å; F285-W398 HydrophobicContact CD1-CZ3 3.97Å; F285-W398 AromaticContact CD2-CE3 3.99Å; F285-W398 HydrophobicContact CD2-CE3 3.99Å; F285-W398 AromaticContact CD2-CZ3 3.57Å; F285-W398 HydrophobicContact CD2-CZ3 3.57Å; F285-W398 HydrophobicContact CE1-CE3 4.38Å; F285-W398 HydrophobicContact CE1-CZ3 4.07Å; F285-W398 AromaticContact CE2-CE3 3.62Å; F285-W398 HydrophobicContact CE2-CE3 3.62Å; F285-W398 AromaticContact CE2-CZ3 3.68Å; F285-W398 HydrophobicContact CE2-CZ3 3.68Å; F285-W398 HydrophobicContact CG-CE3 4.5Å; F285-W398 AromaticContact CG-CZ3 3.72Å; F285-W398 HydrophobicContact CG-CZ3 3.72Å; F285-W398 AromaticContact CZ-CE3 3.85Å; F285-W398 HydrophobicContact CZ-CE3 3.85Å; F285-W398 AromaticContact CZ-CZ3 3.93Å; F285-W398 HydrophobicContact CZ-CZ3 3.93Å; A288-W398 HydrophobicContact CB-CH2 4.37Å; L394-W398 HydrophobicContact CB-CD2 4.39Å; L394-W398 HydrophobicContact CB-CE3 4.49Å; L394-W398 HydrophobicContact CB-CH2 4.48Å; L394-W398 HydrophobicContact CB-CZ2 4.35Å; L394-W398 HydrophobicContact CD1-CH2 4.26Å; L394-W398 HydrophobicContact CD1-CZ2 4.35Å; L394-W398 HydrophobicContact CD2-CH2 4.49Å; L394-W398 HydrophobicContact CD2-CZ2 3.8Å; L394-W398 HydrophobicContact CG-CZ2 4.4Å; L394-W398 VanDerWaalsContact O-CB 3.24Å; L394-W398 WeakPolarHBondContact O-CB 3.2Å; L394-W398 PolarHBondContact O-N 3.03Å; F396-W398 VanDerWaalsContact C-N 3.27Å; F396-W398 PolarHBondContact O-N 3.5Å |
| 399 | G | 87.1 | Confident | 80.4 | Confident | 11 Ų | 11 | 48.6 Ų | 48.6 | 11% | 0.113 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 37.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | A395 F396 E397 | A395-G399 PolarHBondContact O-N 3.35Å; F396-G399 PolarHBondContact O-N 3.18Å; F396-G399 VanDerWaalsContact O-N 3.09Å; E397-G399 VanDerWaalsContact C-N 3.31Å |
| 400 | T | 88.6 | Confident | 79.8 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | trans | -122 | 5.9 | -174.5 | 52.6 | 0 | 0 | 0 | 0 | 114.1 | H281 A395 D402 L403 V698 S699 | H281-T400 VanDerWaalsContact NE2-CG2 3.31Å; H281-T400 WeakPolarHBondContact NE2-CG2 3.47Å; A395-T400 WeakPolarHBondContact CA-OG1 3.41Å; A395-T400 PolarHBondContact O-N 2.71Å; A395-T400 PolarHBondContact O-OG1 2.71Å; A395-T400 VanDerWaalsContact O-OG1 3.06Å; T400-D402 VanDerWaalsContact C-N 3.27Å; T400-D402 PolarHBondContact O-N 3.09Å; T400-L403 HydrophobicContact CG2-CD1 3.77Å; T400-L403 WeakPolarHBondContact O-CG 3.32Å; T400-L403 PolarHBondContact O-N 3.14Å; T400-V698 WeakPolarHBondContact CB-O 3.24Å; T400-V698 PolarHBondContact OG1-O 3.22Å; T400-S699 WeakPolarHBondContact O-CB 3.43Å | ||
| 401 | D | 86.8 | Confident | 79.6 | Confident | 41 Ų | 41 | 49.4 Ų | 49.4 | 22% | 0.219 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -20.2 | -176.5 | 57.3 | -62.6 | 0 | 0 | 0 | 114.9 | K110 A395 | K110-D401 IonicContact NZ-OD1 2.69Å; K110-D401 PolarHBondContact NZ-OD1 3.06Å; K110-D401 IonicContact NZ-OD2 2.8Å; K110-D401 PolarHBondContact NZ-OD2 3.38Å; K110-D401 VanDerWaalsContact NZ-OD2 3.16Å; A395-D401 PolarHBondContact O-N 3.01Å |
| 402 | D | 83 | Confident | 78.8 | Confident | 47 Ų | 47 | 49.1 Ų | 49.1 | 25% | 0.251 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -5.7 | -177.9 | 59.6 | -20.7 | 0 | 0 | 0 | 114.5 | K110 T400 Q404 H405 | K110-D402 VanDerWaalsContact CE-OD1 3.24Å; K110-D402 WeakPolarHBondContact CE-OD1 3.24Å; K110-D402 WeakPolarHBondContact CE-OD2 3.4Å; K110-D402 IonicContact NZ-OD1 3.07Å; K110-D402 IonicContact NZ-OD2 2.7Å; T400-D402 VanDerWaalsContact C-N 3.27Å; T400-D402 PolarHBondContact O-N 3.09Å; D402-Q404 PolarHBondContact O-N 3.35Å; D402-H405 PolarHBondContact O-N 3.05Å |
| 403 | L | 76.8 | Confident | 78.3 | Confident | 31 Ų | 31 | 49.5 Ų | 49.5 | 16% | 0.162 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -63.6 | -12.7 | -173.7 | -69.1 | 177.1 | 0 | 0 | 0 | 115.1 | T400 H405 C406 R697 | T400-L403 HydrophobicContact CG2-CD1 3.77Å; T400-L403 WeakPolarHBondContact O-CG 3.32Å; T400-L403 PolarHBondContact O-N 3.14Å; L403-H405 PolarHBondContact O-N 3.36Å; L403-H405 VanDerWaalsContact O-N 3.07Å; L403-C406 PolarHBondContact O-N 3.05Å; L403-R697 HydrophobicContact CD1-CB 3.83Å |
| 404 | Q | 61.2 | Low | 78.3 | Confident | 142 Ų | 142 | 49.6 Ų | 49.6 | 66% | 0.664 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -63.4 | -13.9 | -179.6 | -70.7 | -175.7 | -16.8 | 0 | 0 | 114 | D402 | D402-Q404 PolarHBondContact O-N 3.35Š|
| 405 | H | 54.3 | Low | 77.9 | Confident | 170 Ų | 170 | 50.5 Ų | 50.5 | 79% | 0.787 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -111.2 | 10.7 | -174.6 | -60.6 | 83.2 | 0 | 0 | 0 | 114.5 | D402 L403 | D402-H405 PolarHBondContact O-N 3.05Å; L403-H405 PolarHBondContact O-N 3.36Å; L403-H405 VanDerWaalsContact O-N 3.07Å |
| 406 | C | 58.8 | Low | 77.4 | Confident | 69 Ų | 69 | 53.3 Ų | 53.3 | 47% | 0.466 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -82.6 | 141.6 | -179.7 | -63.7 | 0 | 0 | 0 | 0 | 112.3 | L403 E408 | L403-C406 PolarHBondContact O-N 3.05Å; C406-E408 PolarHBondContact O-N 3.24Å |
| 407 | D | 58.8 | Low | 77.3 | Confident | 131 Ų | 131 | 56.1 Ų | 56.1 | 70% | 0.701 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 117.1 | 172.3 | -66.4 | -33.9 | 0 | 0 | 0 | 110.6 | ||
| 408 | E | 71.8 | Confident | 77.5 | Confident | 88 Ų | 88 | 55.2 Ų | 55.2 | 41% | 0.411 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 137.4 | 175.6 | -68.9 | -179.9 | -170.8 | 0 | 0 | 110.8 | C406 I410 T524 K526 | C406-E408 PolarHBondContact O-N 3.24Å; E408-I410 PolarHBondContact O-N 3.27Å; E408-T524 HydrophobicContact CB-CG2 4.05Å; E408-T524 WeakPolarHBondContact OE2-CB 3.45Å; E408-T524 PolarHBondContact OE2-OG1 3.35Å; E408-K526 WeakPolarHBondContact OE1-CD 3.41Å; E408-K526 IonicContact OE1-NZ 3.57Å; E408-K526 PolarHBondContact OE1-NZ 2.88Å; E408-K526 WeakPolarHBondContact OE2-CB 3.22Å |
| 409 | I | 73.2 | Confident | 77.4 | Confident | 90 Ų | 90 | 60.4 Ų | 60.4 | 46% | 0.462 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 131.1 | 176.2 | -57.1 | 170.5 | 0 | 0 | 0 | 109.3 | Q190 T191 | Q190-I409 HydrophobicContact CB-CD1 4.45Å; T191-I409 HydrophobicContact CG2-CD1 4.44Å |
| 410 | I | 80 | Confident | 77.6 | Confident | 48 Ų | 48 | 62.7 Ų | 62.7 | 25% | 0.246 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -70.1 | 132.9 | 174.3 | -56.6 | 176 | 0 | 0 | 0 | 108.8 | E408 Y414 I415 K523 | E408-I410 PolarHBondContact O-N 3.27Å; I410-Y414 HydrophobicContact CG2-CD1 3.91Å; I410-I415 HydrophobicContact CB-CD1 4.2Å; I410-I415 HydrophobicContact CB-CG1 4.4Å; I410-I415 HydrophobicContact CG2-CD1 4.03Å; I410-I415 HydrophobicContact CG2-CG1 3.68Å; I410-K523 HydrophobicContact CG2-CG 4.18Å |
| 411 | R | 83.6 | Confident | 77.6 | Confident | 36 Ų | 36 | 68.3 Ų | 68.3 | 14% | 0.136 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 134.2 | -176.4 | -169.6 | -178.5 | 174.2 | -159.9 | 6 | 111.2 | D413 Y414 I415 K523 | R411-D413 VanDerWaalsContact C-N 3.25Å; R411-D413 HydrophobicContact CG-CB 4.31Å; R411-D413 IonicContact CZ-OD2 2.89Å; R411-D413 IonicContact NE-OD2 3.83Å; R411-D413 PolarHBondContact NE-OD2 3.38Å; R411-D413 IonicContact NH1-OD2 3.6Å; R411-D413 IonicContact NH2-OD2 2.59Å; R411-D413 PolarHBondContact NH2-OD2 2.92Å; R411-D413 PolarHBondContact O-N 2.81Å; R411-Y414 WeakPolarHBondContact O-CB 3.33Å; R411-Y414 PolarHBondContact O-N 3.4Å; R411-I415 PolarHBondContact O-N 2.9Å; R411-K523 PolarHBondContact N-O 2.8Å |
| 412 | P | 77.1 | Confident | 77.7 | Confident | 20 Ų | 20 | 71.2 Ų | 71.2 | 13% | 0.13 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -56.5 | -35.8 | 179.5 | -26.8 | 33.8 | 0 | 0 | 0 | 114.2 | L206 Y414 I415 A416 | L206-P412 HydrophobicContact CB-CB 4.02Å; L206-P412 HydrophobicContact CB-CG 4.41Å; L206-P412 HydrophobicContact CD1-CB 4.3Å; L206-P412 HydrophobicContact CD2-CB 4.2Å; L206-P412 HydrophobicContact CG-CB 4.4Å; P412-Y414 VanDerWaalsContact C-N 3.29Å; P412-Y414 PolarHBondContact O-N 2.98Å; P412-I415 PolarHBondContact O-N 2.91Å; P412-A416 WeakPolarHBondContact O-CB 2.94Å; P412-A416 PolarHBondContact O-N 3.22Å |
| 413 | D | 80 | Confident | 78.2 | Confident | 26 Ų | 26 | 73.1 Ų | 73.1 | 14% | 0.139 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64 | -31.1 | 176.6 | -76.1 | -32.2 | 0 | 0 | 0 | 113.5 | K209 R411 K417 | K209-D413 IonicContact NZ-OD1 3.2Å; K209-D413 PolarHBondContact NZ-OD1 2.8Å; K209-D413 IonicContact NZ-OD2 2.81Å; K209-D413 PolarHBondContact NZ-OD2 3.06Å; R411-D413 VanDerWaalsContact C-N 3.25Å; R411-D413 HydrophobicContact CG-CB 4.31Å; R411-D413 IonicContact CZ-OD2 2.89Å; R411-D413 IonicContact NE-OD2 3.83Å; R411-D413 PolarHBondContact NE-OD2 3.38Å; R411-D413 IonicContact NH1-OD2 3.6Å; R411-D413 IonicContact NH2-OD2 2.59Å; R411-D413 PolarHBondContact NH2-OD2 2.92Å; R411-D413 PolarHBondContact O-N 2.81Å; D413-K417 WeakPolarHBondContact O-CG 3.36Å; D413-K417 PolarHBondContact O-N 3.49Å |
| 414 | Y | 86.8 | Confident | 78.6 | Confident | 4 Ų | 4 | 73.2 Ų | 73.2 | 2% | 0.016 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -71.8 | -48.1 | 177.1 | -177.3 | -92 | 0 | 0 | 0 | 110 | I410 R411 P412 A416 K417 A418 D432 I434 R521 P522 K523 | I410-Y414 HydrophobicContact CG2-CD1 3.91Å; R411-Y414 WeakPolarHBondContact O-CB 3.33Å; R411-Y414 PolarHBondContact O-N 3.4Å; P412-Y414 VanDerWaalsContact C-N 3.29Å; P412-Y414 PolarHBondContact O-N 2.98Å; Y414-A416 VanDerWaalsContact C-N 3.31Å; Y414-A416 PolarHBondContact O-N 2.76Å; Y414-K417 PolarHBondContact O-N 3.34Å; Y414-K417 VanDerWaalsContact O-N 3.12Å; Y414-A418 PolarHBondContact O-N 3.47Å; Y414-D432 WeakPolarHBondContact CE1-O 3.3Å; Y414-I434 HydrophobicContact CD2-CD1 3.67Å; Y414-I434 HydrophobicContact CD2-CG1 4.33Å; Y414-I434 HydrophobicContact CE1-CG1 4.32Å; Y414-I434 HydrophobicContact CE2-CB 4.06Å; Y414-I434 HydrophobicContact CE2-CD1 3.52Å; Y414-I434 HydrophobicContact CE2-CG1 3.77Å; Y414-I434 HydrophobicContact CG-CD1 4.29Å; Y414-I434 PolarHBondContact OH-N 3.2Å; Y414-R521 WeakPolarHBondContact CD2-O 3.19Å; Y414-R521 WeakPolarHBondContact CE2-O 3.49Å; Y414-P522 WeakPolarHBondContact CD2-O 3.46Å; Y414-K523 HydrophobicContact CD1-CG 4.15Å; Y414-K523 HydrophobicContact CD2-CB 4.17Å; Y414-K523 HydrophobicContact CE1-CB 4.38Å; Y414-K523 HydrophobicContact CE1-CG 3.98Å; Y414-K523 HydrophobicContact CE2-CB 4.01Å; Y414-K523 HydrophobicContact CE2-CG 4.49Å; Y414-K523 HydrophobicContact CG-CB 4.41Å; Y414-K523 HydrophobicContact CG-CG 4.49Å |
| 415 | I | 82.4 | Confident | 79.9 | Confident | 30 Ų | 30 | 75.5 Ų | 75.5 | 15% | 0.154 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -56.8 | -46.1 | 177.1 | -62.8 | 172.9 | 0 | 0 | 0 | 110.4 | K200 I410 R411 P412 K417 A418 | K200-I415 HydrophobicContact CB-CG2 3.72Å; K200-I415 HydrophobicContact CD-CG2 4.28Å; I410-I415 HydrophobicContact CB-CD1 4.2Å; I410-I415 HydrophobicContact CB-CG1 4.4Å; I410-I415 HydrophobicContact CG2-CD1 4.03Å; I410-I415 HydrophobicContact CG2-CG1 3.68Å; R411-I415 PolarHBondContact O-N 2.9Å; P412-I415 PolarHBondContact O-N 2.91Å; I415-K417 PolarHBondContact O-N 3.46Å; I415-A418 PolarHBondContact O-N 3.34Å |
| 416 | A | 79.2 | Confident | 81.4 | Confident | 66 Ų | 66 | 73.4 Ų | 73.4 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64 | -25.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P412 Y414 | P412-A416 WeakPolarHBondContact O-CB 2.94Å; P412-A416 PolarHBondContact O-N 3.22Å; Y414-A416 VanDerWaalsContact C-N 3.31Å; Y414-A416 PolarHBondContact O-N 2.76Å |
| 417 | K | 85.1 | Confident | 82.6 | Confident | 84 Ų | 84 | 72.6 Ų | 72.6 | 37% | 0.365 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -99.2 | -6.3 | -179.7 | -69.5 | 179 | -177.6 | -179.4 | 0 | 113.5 | D413 Y414 I415 T419 I434 T518 R521 | D413-K417 WeakPolarHBondContact O-CG 3.36Å; D413-K417 PolarHBondContact O-N 3.49Å; Y414-K417 PolarHBondContact O-N 3.34Å; Y414-K417 VanDerWaalsContact O-N 3.12Å; I415-K417 PolarHBondContact O-N 3.46Å; K417-T419 PolarHBondContact O-N 2.97Å; K417-I434 HydrophobicContact CB-CD1 4.15Å; K417-T518 PolarHBondContact NZ-O 3.42Å; K417-R521 HydrophobicContact CD-CG 4.23Å |
| 418 | A | 86.8 | Confident | 83.9 | Confident | 17 Ų | 17 | 72.8 Ų | 72.8 | 14% | 0.14 | 38% | 0.378 | C | S | . | . | trans | -75.7 | 122.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y414 I415 D432 I434 | Y414-A418 PolarHBondContact O-N 3.47Å; I415-A418 PolarHBondContact O-N 3.34Å; A418-D432 HydrophobicContact CB-CB 3.7Å; A418-I434 HydrophobicContact CB-CG1 4.12Å | ||
| 419 | T | 84.9 | Confident | 84.6 | Confident | 117 Ų | 117 | 73.8 Ų | 73.8 | 72% | 0.718 | 38% | 0.382 | S | S | * | . | trans | -98.2 | -22.1 | 179.2 | 52.9 | 0 | 0 | 0 | 0 | 112.6 | K417 | K417-T419 PolarHBondContact O-N 2.97Š| ||
| 420 | T | 89.9 | Confident | 85.2 | Confident | 58 Ų | 58 | 76.6 Ų | 76.6 | 36% | 0.356 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 158.9 | -178.6 | 60.4 | 0 | 0 | 0 | 0 | 110.8 | Y433 | T420-Y433 PolarHBondContact N-O 3.38Å; T420-Y433 PolarHBondContact O-N 3.45Å; T420-Y433 PolarHBondContact OG1-O 2.99Å; T420-Y433 VanDerWaalsContact OG1-O 3.1Å |
| 421 | K | 88.5 | Confident | 85.5 | Confident | 120 Ų | 120 | 75.5 Ų | 75.5 | 52% | 0.522 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 149.9 | 168.9 | -68.4 | -170.6 | 175.4 | -170.5 | 0 | 109.2 | F430 E431 | K421-F430 HydrophobicContact CD-CB 4.27Å; K421-E431 CarbonylContact C-O 3.56Å; K421-E431 VanDerWaalsContact CA-O 3.22Å; K421-E431 WeakPolarHBondContact CA-O 3.28Å |
| 422 | R | 90.2 | Very high | 85.7 | Confident | 101 Ų | 101 | 74.9 Ų | 74.9 | 38% | 0.381 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 148.8 | 169.1 | 73.8 | -177.4 | 175.1 | 168.4 | 13.2 | 109.5 | D424 F430 E431 Y433 | R422-D424 PolarHBondContact O-N 2.73Å; R422-F430 CarbonylContact O-C 3.41Å; R422-F430 WeakPolarHBondContact O-CA 3.21Å; R422-E431 HydrophobicContact CG-CG 3.74Å; R422-E431 IonicContact CZ-OE1 2.78Å; R422-E431 PolarHBondContact N-O 2.8Å; R422-E431 IonicContact NE-OE1 2.9Å; R422-E431 PolarHBondContact NE-OE1 3.48Å; R422-E431 IonicContact NH2-OE1 3.73Å; R422-E431 PolarHBondContact NH2-OE1 3.26Å; R422-E431 PolarHBondContact O-N 3.4Å; R422-Y433 HydrophobicContact CB-CD1 4.35Å; R422-Y433 HydrophobicContact CB-CG 4.26Å; R422-Y433 VanDerWaalsContact CD-CD2 3.4Å; R422-Y433 VanDerWaalsContact CD-CG 3.46Å; R422-Y433 HydrophobicContact CG-CD2 4.31Å; R422-Y433 HydrophobicContact CG-CG 3.97Å; R422-Y433 VanDerWaalsContact CZ-CD2 3.5Å; R422-Y433 VanDerWaalsContact NE-CD2 3.32Å |
| 423 | L | 91.9 | Very high | 86.3 | Confident | 87 Ų | 87 | 76 Ų | 76 | 46% | 0.455 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 119.9 | 169.9 | -173.9 | 66.8 | 0 | 0 | 0 | 108.3 | K425 M428 F430 | L423-K425 PolarHBondContact O-N 3.09Å; L423-M428 WeakPolarHBondContact CD1-O 3.46Å; L423-M428 HydrophobicContact CD2-SD 4.49Å; L423-F430 HydrophobicContact CB-CD1 4.41Å; L423-F430 HydrophobicContact CB-CE1 4.26Å; L423-F430 HydrophobicContact CD1-CD2 4.47Å; L423-F430 HydrophobicContact CD1-CE2 4.44Å; L423-F430 HydrophobicContact CD1-CZ 4.48Å |
| 424 | D | 86.5 | Confident | 86.9 | Confident | 34 Ų | 34 | 74.9 Ų | 74.9 | 18% | 0.182 | 38% | 0.38 | C | S | . | . | trans | -70.3 | 126.9 | 169.2 | 176.9 | 24.2 | 0 | 0 | 0 | 109.2 | R422 V426 T427 M428 E429 E431 | R422-D424 PolarHBondContact O-N 2.73Å; D424-V426 PolarHBondContact O-N 3.13Å; D424-V426 PolarHBondContact OD1-N 2.92Å; D424-T427 WeakPolarHBondContact CB-OG1 3.35Å; D424-T427 WeakPolarHBondContact OD2-CB 3.13Å; D424-T427 WeakPolarHBondContact OD2-CG2 3.47Å; D424-T427 PolarHBondContact OD2-N 2.76Å; D424-T427 PolarHBondContact OD2-OG1 3.21Å; D424-M428 WeakPolarHBondContact O-CA 3.38Å; D424-M428 PolarHBondContact O-N 2.64Å; D424-E429 PolarHBondContact N-O 2.85Å; D424-E431 HydrophobicContact CB-CG 4.17Å | ||
| 425 | K | 88.7 | Confident | 87.2 | Confident | 189 Ų | 189 | 76 Ų | 76 | 82% | 0.822 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -20.4 | -177.1 | -62.1 | -177.2 | 179.6 | -176.4 | 0 | 112.5 | L423 | L423-K425 PolarHBondContact O-N 3.09Š|
| 426 | V | 84.7 | Confident | 87.5 | Confident | 127 Ų | 127 | 81.8 Ų | 81.8 | 77% | 0.77 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -56.2 | -177.4 | -177 | 0 | 0 | 0 | 0 | 110.7 | D424 M428 | D424-V426 PolarHBondContact O-N 3.13Å; D424-V426 PolarHBondContact OD1-N 2.92Å; V426-M428 VanDerWaalsContact C-N 3.35Å |
| 427 | T | 84.1 | Confident | 88.2 | Confident | 52 Ų | 52 | 83.8 Ų | 83.8 | 32% | 0.319 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -15.1 | -178.8 | 58.5 | 0 | 0 | 0 | 0 | 113.6 | M1 D424 E429 | M1-T427 HydrophobicContact CE-CG2 4.39Å; D424-T427 WeakPolarHBondContact CB-OG1 3.35Å; D424-T427 WeakPolarHBondContact OD2-CB 3.13Å; D424-T427 WeakPolarHBondContact OD2-CG2 3.47Å; D424-T427 PolarHBondContact OD2-N 2.76Å; D424-T427 PolarHBondContact OD2-OG1 3.21Å; T427-E429 PolarHBondContact O-N 3.42Å; T427-E429 VanDerWaalsContact O-N 3.17Å; T427-E429 PolarHBondContact OG1-N 3.43Å |
| 428 | M | 87.6 | Confident | 88.5 | Confident | 135 Ų | 135 | 82.7 Ų | 82.7 | 67% | 0.665 | 40% | 0.404 | S | S | * | . | trans | 56.6 | 20 | -169.8 | -62.2 | -68.1 | -157.2 | 0 | 0 | 113.3 | L423 D424 V426 | L423-M428 WeakPolarHBondContact CD1-O 3.46Å; L423-M428 HydrophobicContact CD2-SD 4.49Å; D424-M428 WeakPolarHBondContact O-CA 3.38Å; D424-M428 PolarHBondContact O-N 2.64Å; V426-M428 VanDerWaalsContact C-N 3.35Å | ||
| 429 | E | 85.3 | Confident | 88.7 | Confident | 109 Ų | 109 | 85.3 Ų | 85.3 | 51% | 0.509 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -99.7 | 146.7 | 175.3 | -65.2 | -178.5 | -174.4 | 0 | 0 | 110 | D424 T427 E431 | D424-E429 PolarHBondContact N-O 2.85Å; T427-E429 PolarHBondContact O-N 3.42Å; T427-E429 VanDerWaalsContact O-N 3.17Å; T427-E429 PolarHBondContact OG1-N 3.43Å; E429-E431 PolarHBondContact O-N 3.45Å |
| 430 | F | 86.5 | Confident | 89.1 | Confident | 148 Ų | 148 | 83 Ų | 83 | 65% | 0.649 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 109.4 | 173.1 | -77.9 | -80.1 | 0 | 0 | 0 | 110.1 | K421 R422 L423 | K421-F430 HydrophobicContact CD-CB 4.27Å; R422-F430 CarbonylContact O-C 3.41Å; R422-F430 WeakPolarHBondContact O-CA 3.21Å; L423-F430 HydrophobicContact CB-CD1 4.41Å; L423-F430 HydrophobicContact CB-CE1 4.26Å; L423-F430 HydrophobicContact CD1-CD2 4.47Å; L423-F430 HydrophobicContact CD1-CE2 4.44Å; L423-F430 HydrophobicContact CD1-CZ 4.48Å |
| 431 | E | 86.3 | Confident | 89.3 | Confident | 26 Ų | 26 | 84 Ų | 84 | 12% | 0.121 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 149.3 | 176.9 | 66.5 | 169.6 | -157.6 | 0 | 0 | 112.4 | K421 R422 D424 E429 K523 | K421-E431 CarbonylContact C-O 3.56Å; K421-E431 VanDerWaalsContact CA-O 3.22Å; K421-E431 WeakPolarHBondContact CA-O 3.28Å; R422-E431 HydrophobicContact CG-CG 3.74Å; R422-E431 IonicContact CZ-OE1 2.78Å; R422-E431 PolarHBondContact N-O 2.8Å; R422-E431 IonicContact NE-OE1 2.9Å; R422-E431 PolarHBondContact NE-OE1 3.48Å; R422-E431 IonicContact NH2-OE1 3.73Å; R422-E431 PolarHBondContact NH2-OE1 3.26Å; R422-E431 PolarHBondContact O-N 3.4Å; D424-E431 HydrophobicContact CB-CG 4.17Å; E429-E431 PolarHBondContact O-N 3.45Å; E431-K523 IonicContact OE1-NZ 3.3Å; E431-K523 PolarHBondContact OE1-NZ 3.01Å; E431-K523 IonicContact OE2-NZ 3.82Å; E431-K523 PolarHBondContact OE2-NZ 3.48Å |
| 432 | D | 87.4 | Confident | 89.6 | Confident | 22 Ų | 22 | 81.8 Ų | 81.8 | 12% | 0.118 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 132.5 | 172 | -70.5 | -45.7 | 0 | 0 | 0 | 110 | K200 Y414 A418 | K200-D432 IonicContact NZ-OD1 3.55Å; K200-D432 PolarHBondContact NZ-OD1 3.09Å; K200-D432 IonicContact NZ-OD2 3.18Å; Y414-D432 WeakPolarHBondContact CE1-O 3.3Å; A418-D432 HydrophobicContact CB-CB 3.7Å |
| 433 | Y | 90.5 | Very high | 89.7 | Confident | 45 Ų | 45 | 81.9 Ų | 81.9 | 18% | 0.176 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 143.2 | -172.4 | 178 | -116.7 | 0 | 0 | 0 | 112.1 | T420 R422 W436 | T420-Y433 PolarHBondContact N-O 3.38Å; T420-Y433 PolarHBondContact O-N 3.45Å; T420-Y433 PolarHBondContact OG1-O 2.99Å; T420-Y433 VanDerWaalsContact OG1-O 3.1Å; R422-Y433 HydrophobicContact CB-CD1 4.35Å; R422-Y433 HydrophobicContact CB-CG 4.26Å; R422-Y433 VanDerWaalsContact CD-CD2 3.4Å; R422-Y433 VanDerWaalsContact CD-CG 3.46Å; R422-Y433 HydrophobicContact CG-CD2 4.31Å; R422-Y433 HydrophobicContact CG-CG 3.97Å; R422-Y433 VanDerWaalsContact CZ-CD2 3.5Å; R422-Y433 VanDerWaalsContact NE-CD2 3.32Å; Y433-W436 PolarHBondContact OH-N 3.17Å |
| 434 | I | 91.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 81.1 Ų | 81.1 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | trans | -110.5 | 120.9 | 170.6 | -59.6 | -178.7 | 0 | 0 | 0 | 107.3 | Y414 K417 A418 W436 I438 R439 R521 | Y414-I434 HydrophobicContact CD2-CD1 3.67Å; Y414-I434 HydrophobicContact CD2-CG1 4.33Å; Y414-I434 HydrophobicContact CE1-CG1 4.32Å; Y414-I434 HydrophobicContact CE2-CB 4.06Å; Y414-I434 HydrophobicContact CE2-CD1 3.52Å; Y414-I434 HydrophobicContact CE2-CG1 3.77Å; Y414-I434 HydrophobicContact CG-CD1 4.29Å; Y414-I434 PolarHBondContact OH-N 3.2Å; K417-I434 HydrophobicContact CB-CD1 4.15Å; A418-I434 HydrophobicContact CB-CG1 4.12Å; I434-W436 PolarHBondContact O-N 3.44Å; I434-I438 HydrophobicContact CG2-CB 4.32Å; I434-I438 HydrophobicContact CG2-CG2 4.35Å; I434-R439 HydrophobicContact CB-CG 4.34Å; I434-R439 HydrophobicContact CG2-CG 3.87Å; I434-R521 HydrophobicContact CD1-CB 3.84Å; I434-R521 HydrophobicContact CD1-CG 4.35Å | ||
| 435 | P | 92.4 | Very high | 90.3 | Very high | 29 Ų | 29 | 83.3 Ų | 83.3 | 19% | 0.188 | 41% | 0.408 | C | S | . | . | trans | -47.7 | 134.8 | 177 | -28.7 | 34.4 | 0 | 0 | 0 | 112.3 | Q437 I438 R439 | P435-Q437 PolarHBondContact O-N 2.76Å; P435-I438 HydrophobicContact CB-CD1 4.34Å; P435-I438 HydrophobicContact CB-CG1 4.49Å; P435-I438 HydrophobicContact CG-CD1 4.28Å; P435-I438 PolarHBondContact O-N 3.02Å; P435-I438 VanDerWaalsContact O-N 3.17Å; P435-R439 PolarHBondContact O-N 3.43Å | ||
| 436 | W | 89.7 | Confident | 90.6 | Very high | 151 Ų | 151 | 74.4 Ų | 74.4 | 57% | 0.572 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.1 | -31.9 | -173.8 | 71.3 | -91.4 | 0 | 0 | 0 | 112.3 | Y433 I434 I438 R439 V440 | Y433-W436 PolarHBondContact OH-N 3.17Å; I434-W436 PolarHBondContact O-N 3.44Å; W436-I438 VanDerWaalsContact C-N 3.3Å; W436-I438 PolarHBondContact O-N 3.17Å; W436-R439 PolarHBondContact O-N 3.33Å; W436-R439 VanDerWaalsContact O-N 3.14Å; W436-V440 HydrophobicContact CE3-CB 4.4Å; W436-V440 HydrophobicContact CE3-CG2 3.72Å; W436-V440 HydrophobicContact CZ3-CG2 4.11Å; W436-V440 WeakPolarHBondContact O-CG2 3.34Å; W436-V440 PolarHBondContact O-N 3.3Å |
| 437 | Q | 92.5 | Very high | 91 | Very high | 107 Ų | 107 | 72.2 Ų | 72.2 | 50% | 0.5 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.7 | -40.2 | 178.5 | -58.7 | 91.5 | -25.4 | 0 | 0 | 112.1 | P435 S441 | P435-Q437 PolarHBondContact O-N 2.76Å; Q437-S441 WeakPolarHBondContact O-CB 3.34Å; Q437-S441 PolarHBondContact O-N 2.83Å |
| 438 | I | 92.1 | Very high | 91.6 | Very high | 61 Ų | 61 | 73.1 Ų | 73.1 | 31% | 0.313 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.3 | -44.2 | 177.5 | -61.7 | 175 | 0 | 0 | 0 | 109.7 | I434 P435 W436 S441 Y442 | I434-I438 HydrophobicContact CG2-CB 4.32Å; I434-I438 HydrophobicContact CG2-CG2 4.35Å; P435-I438 HydrophobicContact CB-CD1 4.34Å; P435-I438 HydrophobicContact CB-CG1 4.49Å; P435-I438 HydrophobicContact CG-CD1 4.28Å; P435-I438 PolarHBondContact O-N 3.02Å; P435-I438 VanDerWaalsContact O-N 3.17Å; W436-I438 VanDerWaalsContact C-N 3.3Å; W436-I438 PolarHBondContact O-N 3.17Å; I438-S441 PolarHBondContact O-N 2.8Å; I438-Y442 HydrophobicContact CG2-CD2 3.79Å; I438-Y442 HydrophobicContact CG2-CE2 3.57Å; I438-Y442 WeakPolarHBondContact O-CD2 3.23Å; I438-Y442 PolarHBondContact O-N 3.41Å; I438-Y442 VanDerWaalsContact O-N 3.13Å |
| 439 | R | 92 | Very high | 92 | Very high | 73 Ų | 73 | 68.9 Ų | 68.9 | 28% | 0.275 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 179.4 | -64.7 | -177 | 67.4 | -164.9 | -2.1 | 111.5 | I434 P435 W436 Y442 F443 R521 | I434-R439 HydrophobicContact CB-CG 4.34Å; I434-R439 HydrophobicContact CG2-CG 3.87Å; P435-R439 PolarHBondContact O-N 3.43Å; W436-R439 PolarHBondContact O-N 3.33Å; W436-R439 VanDerWaalsContact O-N 3.14Å; R439-Y442 PolarHBondContact O-N 3.47Å; R439-F443 VanDerWaalsContact O-CB 3.3Å; R439-F443 WeakPolarHBondContact O-CB 3.35Å; R439-F443 PolarHBondContact O-N 3.42Å; R439-R521 PolarHBondContact NE-O 3.16Å |
| 440 | V | 93 | Very high | 92.4 | Very high | 69 Ų | 69 | 64.2 Ų | 64.2 | 42% | 0.418 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 177.2 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | W436 Y442 F443 T444 | W436-V440 HydrophobicContact CE3-CB 4.4Å; W436-V440 HydrophobicContact CE3-CG2 3.72Å; W436-V440 HydrophobicContact CZ3-CG2 4.11Å; W436-V440 WeakPolarHBondContact O-CG2 3.34Å; W436-V440 PolarHBondContact O-N 3.3Å; V440-Y442 PolarHBondContact O-N 3.01Å; V440-F443 PolarHBondContact O-N 2.84Å; V440-T444 PolarHBondContact O-N 2.98Å; V440-T444 PolarHBondContact O-OG1 3.05Å |
| 441 | S | 94 | Very high | 92.9 | Very high | 78 Ų | 78 | 61.2 Ų | 61.2 | 55% | 0.545 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.1 | -46.2 | 176.6 | 177.7 | 0 | 0 | 0 | 0 | 112.6 | Q437 I438 T444 L445 | Q437-S441 WeakPolarHBondContact O-CB 3.34Å; Q437-S441 PolarHBondContact O-N 2.83Å; I438-S441 PolarHBondContact O-N 2.8Å; S441-T444 PolarHBondContact O-N 2.67Å; S441-L445 PolarHBondContact O-N 3.45Å |
| 442 | Y | 93.8 | Very high | 93.4 | Very high | 74 Ų | 74 | 66.7 Ų | 66.7 | 29% | 0.29 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.6 | -34 | 176.1 | -74.7 | -63.8 | 0 | 0 | 0 | 113.4 | I438 R439 V440 L445 S446 M519 R521 | I438-Y442 HydrophobicContact CG2-CD2 3.79Å; I438-Y442 HydrophobicContact CG2-CE2 3.57Å; I438-Y442 WeakPolarHBondContact O-CD2 3.23Å; I438-Y442 PolarHBondContact O-N 3.41Å; I438-Y442 VanDerWaalsContact O-N 3.13Å; R439-Y442 PolarHBondContact O-N 3.47Å; V440-Y442 PolarHBondContact O-N 3.01Å; Y442-L445 PolarHBondContact O-N 2.83Å; Y442-S446 WeakPolarHBondContact O-CB 3.38Å; Y442-S446 PolarHBondContact O-N 3.34Å; Y442-M519 WeakPolarHBondContact CB-O 3.2Å; Y442-M519 HydrophobicContact CD1-CB 4.33Å; Y442-M519 HydrophobicContact CD1-CE 3.99Å; Y442-M519 HydrophobicContact CE1-CE 4.14Å; Y442-R521 PolarHBondContact OH-NH2 3.1Å |
| 443 | F | 93.4 | Very high | 93.8 | Very high | 103 Ų | 103 | 66.7 Ų | 66.7 | 45% | 0.452 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.8 | -45.5 | 174.6 | -177.4 | -97.1 | 0 | 0 | 0 | 111.2 | R439 V440 L445 S446 L447 E520 | R439-F443 VanDerWaalsContact O-CB 3.3Å; R439-F443 WeakPolarHBondContact O-CB 3.35Å; R439-F443 PolarHBondContact O-N 3.42Å; V440-F443 PolarHBondContact O-N 2.84Å; F443-L445 PolarHBondContact O-N 2.85Å; F443-S446 WeakPolarHBondContact O-CB 3.29Å; F443-S446 PolarHBondContact O-N 2.97Å; F443-L447 WeakPolarHBondContact O-CB 3.18Å; F443-L447 PolarHBondContact O-N 3.37Å; F443-E520 WeakPolarHBondContact CD2-OE1 3.42Å |
| 444 | T | 94.5 | Very high | 94 | Very high | 70 Ų | 70 | 66 Ų | 66 | 43% | 0.429 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 174.4 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | V440 S441 S446 L447 C448 | V440-T444 PolarHBondContact O-N 2.98Å; V440-T444 PolarHBondContact O-OG1 3.05Å; S441-T444 PolarHBondContact O-N 2.67Å; T444-S446 VanDerWaalsContact C-N 3.33Å; T444-S446 PolarHBondContact O-N 3.17Å; T444-L447 PolarHBondContact O-N 3.39Å; T444-C448 PolarHBondContact O-N 3.03Å; T444-C448 PolarHBondContact O-SG 2.93Å |
| 445 | L | 94.9 | Very high | 94.3 | Very high | 81 Ų | 81 | 71.2 Ų | 71.2 | 42% | 0.424 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.2 | -45.4 | 174.4 | 177.2 | 63 | 0 | 0 | 0 | 111.5 | S441 Y442 F443 L447 C448 V449 M519 | S441-L445 PolarHBondContact O-N 3.45Å; Y442-L445 PolarHBondContact O-N 2.83Å; F443-L445 PolarHBondContact O-N 2.85Å; L445-L447 VanDerWaalsContact C-N 3.33Å; L445-L447 PolarHBondContact O-N 3.01Å; L445-C448 PolarHBondContact O-N 3.14Å; L445-V449 HydrophobicContact CD1-CG2 4.38Å; L445-V449 WeakPolarHBondContact O-CG2 3.36Å; L445-V449 PolarHBondContact O-N 3.45Å; L445-M519 HydrophobicContact CD2-CE 3.66Å |
| 446 | S | 95.2 | Very high | 94.5 | Very high | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.014 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59 | -47 | 176 | -174.1 | 0 | 0 | 0 | 0 | 111 | Y442 F443 T444 C448 V449 T450 E520 K535 | Y442-S446 WeakPolarHBondContact O-CB 3.38Å; Y442-S446 PolarHBondContact O-N 3.34Å; F443-S446 WeakPolarHBondContact O-CB 3.29Å; F443-S446 PolarHBondContact O-N 2.97Å; T444-S446 VanDerWaalsContact C-N 3.33Å; T444-S446 PolarHBondContact O-N 3.17Å; S446-C448 PolarHBondContact O-N 2.95Å; S446-V449 PolarHBondContact O-N 2.99Å; S446-T450 VanDerWaalsContact O-CG2 3.32Å; S446-T450 WeakPolarHBondContact O-CG2 3.18Å; S446-T450 PolarHBondContact O-N 3.26Å; S446-T450 PolarHBondContact O-OG1 3.37Å; S446-E520 VanDerWaalsContact CB-OE1 3.23Å; S446-E520 WeakPolarHBondContact CB-OE1 3.38Å; S446-E520 PolarHBondContact OG-OE1 2.7Å; S446-K535 WeakPolarHBondContact OG-CE 3.36Å |
| 447 | L | 94.6 | Very high | 94.8 | Very high | 80 Ų | 80 | 64 Ų | 64 | 42% | 0.419 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59 | -45.8 | 178.8 | -177.4 | 62.8 | 0 | 0 | 0 | 111.6 | F443 T444 L445 V449 T450 L451 | F443-L447 WeakPolarHBondContact O-CB 3.18Å; F443-L447 PolarHBondContact O-N 3.37Å; T444-L447 PolarHBondContact O-N 3.39Å; L445-L447 VanDerWaalsContact C-N 3.33Å; L445-L447 PolarHBondContact O-N 3.01Å; L447-V449 PolarHBondContact O-N 3.21Å; L447-T450 WeakPolarHBondContact CA-OG1 3.34Å; L447-T450 PolarHBondContact O-N 3.3Å; L447-T450 PolarHBondContact O-OG1 3.41Å; L447-L451 HydrophobicContact CD1-CD1 4.34Å; L447-L451 HydrophobicContact CD1-CG 4.36Å; L447-L451 HydrophobicContact CG-CD1 4.11Å; L447-L451 WeakPolarHBondContact O-CG 3.42Å; L447-L451 PolarHBondContact O-N 3.46Å |
| 448 | C | 96.2 | Very high | 94.9 | Very high | 71 Ų | 71 | 59.6 Ų | 59.6 | 48% | 0.48 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.3 | -45 | 176.8 | -67.9 | 0 | 0 | 0 | 0 | 112.2 | T444 L445 S446 L451 F452 | T444-C448 PolarHBondContact O-N 3.03Å; T444-C448 PolarHBondContact O-SG 2.93Å; L445-C448 PolarHBondContact O-N 3.14Å; S446-C448 PolarHBondContact O-N 2.95Å; C448-L451 PolarHBondContact O-N 3.25Å; C448-F452 WeakPolarHBondContact O-CB 3.19Å; C448-F452 PolarHBondContact O-N 2.98Å |
| 449 | V | 95.9 | Very high | 95.1 | Very high | 46 Ų | 46 | 61.4 Ų | 61.4 | 28% | 0.279 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 177.4 | 177.4 | 0 | 0 | 0 | 0 | 110.9 | L445 S446 L447 F452 M453 I512 L516 | L445-V449 HydrophobicContact CD1-CG2 4.38Å; L445-V449 WeakPolarHBondContact O-CG2 3.36Å; L445-V449 PolarHBondContact O-N 3.45Å; S446-V449 PolarHBondContact O-N 2.99Å; L447-V449 PolarHBondContact O-N 3.21Å; V449-F452 PolarHBondContact O-N 2.91Å; V449-M453 WeakPolarHBondContact O-CG 3.33Å; V449-M453 PolarHBondContact O-N 3.01Å; V449-I512 HydrophobicContact CG1-CG2 4.35Å; V449-L516 HydrophobicContact CB-CD1 4.12Å; V449-L516 HydrophobicContact CB-CD2 4.09Å; V449-L516 HydrophobicContact CG1-CD1 3.86Å; V449-L516 HydrophobicContact CG1-CD2 4.1Å; V449-L516 HydrophobicContact CG2-CD2 4.28Å |
| 450 | T | 94.4 | Very high | 95.2 | Very high | 12 Ų | 12 | 60.8 Ų | 60.8 | 7% | 0.074 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 177.4 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | S446 L447 M453 L454 Y509 L516 K535 | S446-T450 VanDerWaalsContact O-CG2 3.32Å; S446-T450 WeakPolarHBondContact O-CG2 3.18Å; S446-T450 PolarHBondContact O-N 3.26Å; S446-T450 PolarHBondContact O-OG1 3.37Å; L447-T450 WeakPolarHBondContact CA-OG1 3.34Å; L447-T450 PolarHBondContact O-N 3.3Å; L447-T450 PolarHBondContact O-OG1 3.41Å; T450-M453 PolarHBondContact O-N 2.95Å; T450-L454 WeakPolarHBondContact O-CG 3.4Å; T450-L454 PolarHBondContact O-N 3.48Å; T450-Y509 HydrophobicContact CG2-CE2 3.99Å; T450-Y509 WeakPolarHBondContact CG2-OH 3.38Å; T450-L516 HydrophobicContact CG2-CD1 3.92Å; T450-K535 HydrophobicContact CG2-CD 4.18Å; T450-K535 HydrophobicContact CG2-CG 4.25Å |
| 451 | L | 95.7 | Very high | 95.3 | Very high | 85 Ų | 85 | 57.5 Ų | 57.5 | 45% | 0.445 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.6 | -40.6 | 176.3 | -70.6 | 173.3 | 0 | 0 | 0 | 111.7 | L447 C448 M453 L454 I455 | L447-L451 HydrophobicContact CD1-CD1 4.34Å; L447-L451 HydrophobicContact CD1-CG 4.36Å; L447-L451 HydrophobicContact CG-CD1 4.11Å; L447-L451 WeakPolarHBondContact O-CG 3.42Å; L447-L451 PolarHBondContact O-N 3.46Å; C448-L451 PolarHBondContact O-N 3.25Å; L451-M453 PolarHBondContact O-N 3.43Å; L451-L454 PolarHBondContact O-N 3.05Å; L451-I455 VanDerWaalsContact O-CG1 3.28Å; L451-I455 WeakPolarHBondContact O-CG1 3.43Å; L451-I455 PolarHBondContact O-N 3.37Å |
| 452 | F | 96.8 | Very high | 95 | Very high | 141 Ų | 141 | 55.8 Ų | 55.8 | 62% | 0.618 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -58.4 | -47.1 | 174.8 | 174.7 | -96.2 | 0 | 0 | 0 | 111.6 | C448 V449 I455 S456 | C448-F452 WeakPolarHBondContact O-CB 3.19Å; C448-F452 PolarHBondContact O-N 2.98Å; V449-F452 PolarHBondContact O-N 2.91Å; F452-I455 PolarHBondContact O-N 2.89Å; F452-S456 WeakPolarHBondContact O-CB 3.36Å; F452-S456 PolarHBondContact O-N 3.4Å; F452-S456 PolarHBondContact O-OG 3.19Å |
| 453 | M | 96 | Very high | 94.8 | Very high | 21 Ų | 21 | 53.9 Ų | 53.9 | 10% | 0.103 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 177.9 | -69.7 | -61.6 | -62.6 | 0 | 0 | 111.6 | V449 T450 L451 S456 A457 Y505 V508 Y509 I512 F539 | V449-M453 WeakPolarHBondContact O-CG 3.33Å; V449-M453 PolarHBondContact O-N 3.01Å; T450-M453 PolarHBondContact O-N 2.95Å; L451-M453 PolarHBondContact O-N 3.43Å; M453-S456 PolarHBondContact O-N 3.38Å; M453-S456 PolarHBondContact O-OG 3.47Å; M453-A457 WeakPolarHBondContact O-CB 3.44Å; M453-A457 PolarHBondContact O-N 2.96Å; M453-Y505 HydrophobicContact CE-CD1 4.17Å; M453-Y505 HydrophobicContact CE-CE1 4.26Å; M453-V508 HydrophobicContact CE-CG1 4.04Å; M453-Y509 HydrophobicContact CB-CD2 4.06Å; M453-Y509 HydrophobicContact CB-CE2 4.32Å; M453-Y509 HydrophobicContact CG-CD2 4.24Å; M453-I512 HydrophobicContact CE-CD1 4.18Å; M453-I512 HydrophobicContact SD-CD1 4.3Å; M453-F539 HydrophobicContact CB-CD2 4.41Å; M453-F539 HydrophobicContact CB-CE2 3.79Å |
| 454 | L | 95.8 | Very high | 94.7 | Very high | 30 Ų | 30 | 50.5 Ų | 50.5 | 16% | 0.157 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.2 | -48 | 176.1 | -80.3 | 170.3 | 0 | 0 | 0 | 112.7 | T450 L451 A457 G458 V538 F539 L542 | T450-L454 WeakPolarHBondContact O-CG 3.4Å; T450-L454 PolarHBondContact O-N 3.48Å; L451-L454 PolarHBondContact O-N 3.05Å; L454-A457 PolarHBondContact O-N 3.3Å; L454-G458 PolarHBondContact O-N 3.41Å; L454-V538 HydrophobicContact CD1-CG1 4.37Å; L454-F539 HydrophobicContact CD2-CD2 3.72Å; L454-F539 HydrophobicContact CD2-CE2 4.23Å; L454-F539 HydrophobicContact CD2-CG 4.39Å; L454-F539 HydrophobicContact CG-CD2 3.9Å; L454-F539 HydrophobicContact CG-CE2 4.41Å; L454-L542 HydrophobicContact CD1-CD1 3.93Å; L454-L542 HydrophobicContact CD2-CB 3.66Å; L454-L542 HydrophobicContact CD2-CD1 3.84Å; L454-L542 HydrophobicContact CD2-CG 4.38Å |
| 455 | I | 96.6 | Very high | 94.2 | Very high | 112 Ų | 112 | 47.5 Ų | 47.5 | 57% | 0.574 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.6 | -45.1 | 178.8 | -67.3 | 165 | 0 | 0 | 0 | 109.9 | L451 F452 A457 G458 V459 | L451-I455 VanDerWaalsContact O-CG1 3.28Å; L451-I455 WeakPolarHBondContact O-CG1 3.43Å; L451-I455 PolarHBondContact O-N 3.37Å; F452-I455 PolarHBondContact O-N 2.89Å; I455-A457 VanDerWaalsContact C-N 3.35Å; I455-A457 PolarHBondContact O-N 2.95Å; I455-G458 PolarHBondContact O-N 3.47Å; I455-V459 HydrophobicContact CG2-CG2 4.3Å; I455-V459 VanDerWaalsContact O-CG2 3.29Å; I455-V459 WeakPolarHBondContact O-CG2 3.44Å; I455-V459 PolarHBondContact O-N 2.85Å |
| 456 | S | 96.9 | Very high | 93.6 | Very high | 27 Ų | 27 | 46.8 Ų | 46.8 | 19% | 0.189 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 178.9 | 75.8 | 0 | 0 | 0 | 0 | 112.3 | F452 M453 V459 V460 Y505 | F452-S456 WeakPolarHBondContact O-CB 3.36Å; F452-S456 PolarHBondContact O-N 3.4Å; F452-S456 PolarHBondContact O-OG 3.19Å; M453-S456 PolarHBondContact O-N 3.38Å; M453-S456 PolarHBondContact O-OG 3.47Å; S456-V459 PolarHBondContact O-N 3.34Å; S456-V460 WeakPolarHBondContact O-CG2 3.36Å; S456-V460 PolarHBondContact O-N 3.49Å; S456-V460 VanDerWaalsContact O-N 3.08Å; S456-Y505 PolarHBondContact O-OH 3.27Å |
| 457 | A | 96.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.1 | -48.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | M453 L454 I455 V459 V460 L461 Y505 | M453-A457 WeakPolarHBondContact O-CB 3.44Å; M453-A457 PolarHBondContact O-N 2.96Å; L454-A457 PolarHBondContact O-N 3.3Å; I455-A457 VanDerWaalsContact C-N 3.35Å; I455-A457 PolarHBondContact O-N 2.95Å; A457-V459 PolarHBondContact O-N 2.71Å; A457-V460 PolarHBondContact O-N 3.39Å; A457-L461 WeakPolarHBondContact O-CB 3.36Å; A457-L461 WeakPolarHBondContact O-CG 3.21Å; A457-L461 PolarHBondContact O-N 3.41Å; A457-Y505 HydrophobicContact CB-CD1 3.75Å; A457-Y505 HydrophobicContact CB-CD2 4.24Å; A457-Y505 HydrophobicContact CB-CE1 3.82Å; A457-Y505 HydrophobicContact CB-CE2 4.33Å; A457-Y505 HydrophobicContact CB-CG 3.96Å |
| 458 | G | 95.3 | Very high | 92.5 | Very high | 14 Ų | 14 | 48 Ų | 48 | 14% | 0.144 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L454 I455 V460 L461 V462 | L454-G458 PolarHBondContact O-N 3.41Å; I455-G458 PolarHBondContact O-N 3.47Å; G458-V460 PolarHBondContact O-N 2.93Å; G458-L461 PolarHBondContact O-N 3.24Å; G458-V462 WeakPolarHBondContact O-CB 3.31Å; G458-V462 VanDerWaalsContact O-CG2 3.23Å; G458-V462 WeakPolarHBondContact O-CG2 3.49Å; G458-V462 PolarHBondContact O-N 3.49Å |
| 459 | V | 94.9 | Very high | 91.6 | Very high | 100 Ų | 100 | 45.1 Ų | 45.1 | 61% | 0.606 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61 | -44.7 | 176.1 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | I455 S456 A457 G463 | I455-V459 HydrophobicContact CG2-CG2 4.3Å; I455-V459 VanDerWaalsContact O-CG2 3.29Å; I455-V459 WeakPolarHBondContact O-CG2 3.44Å; I455-V459 PolarHBondContact O-N 2.85Å; S456-V459 PolarHBondContact O-N 3.34Å; A457-V459 PolarHBondContact O-N 2.71Å; V459-G463 PolarHBondContact O-N 3.21Å |
| 460 | V | 95.4 | Very high | 90.9 | Very high | 60 Ų | 60 | 47.2 Ų | 47.2 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 178.2 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | S456 A457 G458 G463 L464 Y505 | S456-V460 WeakPolarHBondContact O-CG2 3.36Å; S456-V460 PolarHBondContact O-N 3.49Å; S456-V460 VanDerWaalsContact O-N 3.08Å; A457-V460 PolarHBondContact O-N 3.39Å; G458-V460 PolarHBondContact O-N 2.93Å; V460-G463 PolarHBondContact O-N 3.33Å; V460-L464 HydrophobicContact CG1-CD1 4.18Å; V460-L464 HydrophobicContact CG1-CG 4.36Å; V460-L464 WeakPolarHBondContact O-CB 3.39Å; V460-L464 WeakPolarHBondContact O-CG 3.45Å; V460-L464 PolarHBondContact O-N 3.28Å; V460-Y505 HydrophobicContact CB-CE2 4.25Å; V460-Y505 HydrophobicContact CG1-CE2 4.28Å; V460-Y505 HydrophobicContact CG2-CE2 4.46Å; V460-Y505 WeakPolarHBondContact CG2-OH 3.31Å |
| 461 | L | 93.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.9 | -40.4 | -177.7 | -64.8 | 169.3 | 0 | 0 | 0 | 112.3 | A457 G458 L464 S465 I498 A501 V502 N543 | A457-L461 WeakPolarHBondContact O-CB 3.36Å; A457-L461 WeakPolarHBondContact O-CG 3.21Å; A457-L461 PolarHBondContact O-N 3.41Å; G458-L461 PolarHBondContact O-N 3.24Å; L461-L464 PolarHBondContact O-N 2.82Å; L461-S465 PolarHBondContact O-N 2.79Å; L461-S465 PolarHBondContact O-OG 3.48Å; L461-I498 HydrophobicContact CD2-CG2 4.21Å; L461-A501 HydrophobicContact CD2-CB 3.96Å; L461-V502 HydrophobicContact CD1-CG2 4.28Å; L461-V502 HydrophobicContact CD2-CG2 3.83Å; L461-N543 WeakPolarHBondContact CD1-O 3.43Å |
| 462 | V | 89.4 | Confident | 89.8 | Confident | 42 Ų | 42 | 45.4 Ų | 45.4 | 26% | 0.255 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.9 | -42.9 | 171.9 | 174 | 0 | 0 | 0 | 0 | 110.3 | G458 L464 S465 M466 Y550 | G458-V462 WeakPolarHBondContact O-CB 3.31Å; G458-V462 VanDerWaalsContact O-CG2 3.23Å; G458-V462 WeakPolarHBondContact O-CG2 3.49Å; G458-V462 PolarHBondContact O-N 3.49Å; V462-L464 PolarHBondContact O-N 3.44Å; V462-S465 WeakPolarHBondContact O-CB 3.26Å; V462-S465 PolarHBondContact O-N 3.26Å; V462-S465 VanDerWaalsContact O-N 3.14Å; V462-M466 HydrophobicContact CG1-CE 4.48Å; V462-M466 WeakPolarHBondContact O-CG 3.28Å; V462-M466 PolarHBondContact O-N 2.92Å; V462-Y550 HydrophobicContact CG1-CD2 3.92Å; V462-Y550 HydrophobicContact CG1-CE2 3.87Å; V462-Y550 HydrophobicContact CG1-CG 4.42Å; V462-Y550 HydrophobicContact CG2-CD2 4.01Å; V462-Y550 HydrophobicContact CG2-CG 4.07Å |
| 463 | G | 89.3 | Confident | 88.9 | Confident | 33 Ų | 33 | 39 Ų | 39 | 34% | 0.34 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.1 | -44.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V459 V460 S465 M466 L467 | V459-G463 PolarHBondContact O-N 3.21Å; V460-G463 PolarHBondContact O-N 3.33Å; G463-S465 VanDerWaalsContact C-N 3.31Å; G463-S465 PolarHBondContact O-N 2.99Å; G463-M466 PolarHBondContact O-N 3.46Å; G463-L467 WeakPolarHBondContact O-CG 3.31Å; G463-L467 PolarHBondContact O-N 2.96Å; G463-L467 VanDerWaalsContact O-N 3.16Å |
| 464 | L | 91.3 | Very high | 88.4 | Confident | 33 Ų | 33 | 42.1 Ų | 42.1 | 17% | 0.173 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.7 | -39.3 | 174.2 | -74.3 | 176 | 0 | 0 | 0 | 111.8 | V460 L461 V462 L467 I494 F497 I498 A501 | V460-L464 HydrophobicContact CG1-CD1 4.18Å; V460-L464 HydrophobicContact CG1-CG 4.36Å; V460-L464 WeakPolarHBondContact O-CB 3.39Å; V460-L464 WeakPolarHBondContact O-CG 3.45Å; V460-L464 PolarHBondContact O-N 3.28Å; L461-L464 PolarHBondContact O-N 2.82Å; V462-L464 PolarHBondContact O-N 3.44Å; L464-L467 HydrophobicContact CD2-CD1 4.16Å; L464-L467 PolarHBondContact O-N 3.05Å; L464-I494 WeakPolarHBondContact O-CD1 3.34Å; L464-I494 WeakPolarHBondContact O-CG2 3.32Å; L464-F497 HydrophobicContact CD2-CB 4.49Å; L464-I498 HydrophobicContact CB-CG1 4.01Å; L464-I498 HydrophobicContact CD1-CG1 4.35Å; L464-A501 HydrophobicContact CD1-CB 3.73Å |
| 465 | S | 84.1 | Confident | 88 | Confident | 7 Ų | 7 | 42.7 Ų | 42.7 | 5% | 0.049 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.4 | -50 | 176 | -55.7 | 0 | 0 | 0 | 0 | 110 | L461 V462 G463 L467 R468 | L461-S465 PolarHBondContact O-N 2.79Å; L461-S465 PolarHBondContact O-OG 3.48Å; V462-S465 WeakPolarHBondContact O-CB 3.26Å; V462-S465 PolarHBondContact O-N 3.26Å; V462-S465 VanDerWaalsContact O-N 3.14Å; G463-S465 VanDerWaalsContact C-N 3.31Å; G463-S465 PolarHBondContact O-N 2.99Å; S465-L467 VanDerWaalsContact C-N 3.3Å; S465-L467 PolarHBondContact O-N 3.03Å; S465-R468 VanDerWaalsContact O-CB 3.29Å; S465-R468 WeakPolarHBondContact O-CB 3.49Å; S465-R468 PolarHBondContact O-N 3.15Å |
| 466 | M | 81.2 | Confident | 87.2 | Confident | 66 Ų | 66 | 39.1 Ų | 39.1 | 33% | 0.325 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62 | -28.4 | 179.4 | -63.4 | -69.2 | -167 | 0 | 0 | 114.8 | V462 G463 R468 V469 Y550 E570 | V462-M466 HydrophobicContact CG1-CE 4.48Å; V462-M466 WeakPolarHBondContact O-CG 3.28Å; V462-M466 PolarHBondContact O-N 2.92Å; G463-M466 PolarHBondContact O-N 3.46Å; M466-R468 PolarHBondContact O-N 3.37Å; M466-R468 VanDerWaalsContact O-N 3.13Å; M466-V469 PolarHBondContact O-N 3.21Å; M466-Y550 HydrophobicContact CE-CE2 3.97Å; M466-Y550 WeakPolarHBondContact CE-OH 3.49Å; M466-Y550 PolarHBondContact SD-OH 2.7Å; M466-E570 WeakPolarHBondContact CA-OE1 3.31Å; M466-E570 HydrophobicContact SD-CG 3.87Å |
| 467 | L | 85.3 | Confident | 86.6 | Confident | 81 Ų | 81 | 43.1 Ų | 43.1 | 42% | 0.424 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -14.8 | 179.3 | -73.8 | 176.1 | 0 | 0 | 0 | 113.1 | G463 L464 S465 V469 I470 L471 I494 | G463-L467 WeakPolarHBondContact O-CG 3.31Å; G463-L467 PolarHBondContact O-N 2.96Å; G463-L467 VanDerWaalsContact O-N 3.16Å; L464-L467 HydrophobicContact CD2-CD1 4.16Å; L464-L467 PolarHBondContact O-N 3.05Å; S465-L467 VanDerWaalsContact C-N 3.3Å; S465-L467 PolarHBondContact O-N 3.03Å; L467-V469 VanDerWaalsContact C-N 3.28Å; L467-V469 PolarHBondContact O-N 3.41Å; L467-I470 HydrophobicContact CD2-CD1 4.02Å; L467-I470 PolarHBondContact O-N 2.97Å; L467-L471 PolarHBondContact O-N 3.08Å; L467-L471 VanDerWaalsContact O-N 3.12Å; L467-I494 HydrophobicContact CB-CD1 4.15Å |
| 468 | R | 83 | Confident | 86.1 | Confident | 25 Ų | 25 | 48.5 Ų | 48.5 | 9% | 0.094 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.8 | -40.8 | 177.7 | -177.5 | -178 | 162.7 | -169.8 | -6.4 | 112.8 | S465 M466 I470 L471 Y472 A490 R491 I494 E580 | S465-R468 VanDerWaalsContact O-CB 3.29Å; S465-R468 WeakPolarHBondContact O-CB 3.49Å; S465-R468 PolarHBondContact O-N 3.15Å; M466-R468 PolarHBondContact O-N 3.37Å; M466-R468 VanDerWaalsContact O-N 3.13Å; R468-I470 PolarHBondContact O-N 2.97Å; R468-L471 PolarHBondContact O-N 3.27Å; R468-Y472 PolarHBondContact O-N 2.97Å; R468-A490 HydrophobicContact CG-CB 4.28Å; R468-R491 VanDerWaalsContact NE-CG 3.34Å; R468-R491 VanDerWaalsContact NH2-CD 3.34Å; R468-I494 HydrophobicContact CB-CG1 3.93Å; R468-I494 HydrophobicContact CG-CG1 4.44Å; R468-E580 IonicContact CZ-OE2 4Å; R468-E580 IonicContact NH1-OE1 2.64Å; R468-E580 IonicContact NH1-OE2 3.61Å; R468-E580 PolarHBondContact NH1-OE2 2.67Å |
| 469 | V | 76 | Confident | 85.4 | Confident | 12 Ų | 12 | 49 Ų | 49 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.3 | -39 | -178 | -175.7 | 0 | 0 | 0 | 0 | 110.9 | C340 M466 L467 P568 E570 | C340-V469 HydrophobicContact CB-CG1 3.75Å; M466-V469 PolarHBondContact O-N 3.21Å; L467-V469 VanDerWaalsContact C-N 3.28Å; L467-V469 PolarHBondContact O-N 3.41Å; V469-P568 HydrophobicContact CB-CB 4Å; V469-P568 HydrophobicContact CG1-CB 3.9Å; V469-P568 HydrophobicContact CG2-CB 4.39Å; V469-E570 HydrophobicContact CG2-CB 4.48Å; V469-E570 HydrophobicContact CG2-CG 3.68Å |
| 470 | I | 81.5 | Confident | 85 | Confident | 90 Ų | 90 | 46.7 Ų | 46.7 | 46% | 0.462 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -70.3 | -47.2 | 178.3 | -57.2 | 177.1 | 0 | 0 | 0 | 109.9 | L467 R468 Y472 G473 E474 | L467-I470 HydrophobicContact CD2-CD1 4.02Å; L467-I470 PolarHBondContact O-N 2.97Å; R468-I470 PolarHBondContact O-N 2.97Å; I470-Y472 VanDerWaalsContact C-N 3.29Å; I470-Y472 PolarHBondContact O-N 3.24Å; I470-G473 PolarHBondContact O-N 2.83Å; I470-E474 PolarHBondContact O-N 2.91Å; I470-E474 VanDerWaalsContact O-N 3.13Å |
| 471 | L | 85.3 | Confident | 84.5 | Confident | 44 Ų | 44 | 49.6 Ų | 49.6 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.8 | -36.6 | 179.9 | -72.8 | -175.2 | 0 | 0 | 0 | 113 | L467 R468 G473 E474 Y475 A490 T493 I494 | L467-L471 PolarHBondContact O-N 3.08Å; L467-L471 VanDerWaalsContact O-N 3.12Å; R468-L471 PolarHBondContact O-N 3.27Å; L471-G473 PolarHBondContact O-N 2.61Å; L471-E474 PolarHBondContact O-N 3.36Å; L471-Y475 HydrophobicContact CB-CD2 4.15Å; L471-Y475 HydrophobicContact CB-CE2 3.98Å; L471-Y475 HydrophobicContact CD1-CE2 4.4Å; L471-Y475 WeakPolarHBondContact O-CD2 3.49Å; L471-Y475 PolarHBondContact O-N 3.05Å; L471-A490 HydrophobicContact CB-CB 4.16Å; L471-T493 HydrophobicContact CD1-CG2 4.04Å; L471-I494 HydrophobicContact CD1-CD1 3.38Å; L471-I494 HydrophobicContact CD1-CG1 3.76Å; L471-I494 HydrophobicContact CG-CD1 4.41Å |
| 472 | Y | 81.4 | Confident | 84 | Confident | 15 Ų | 15 | 53.3 Ų | 53.3 | 6% | 0.059 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.4 | -47.7 | 175.8 | 168.9 | -125.9 | 0 | 0 | 0 | 111.7 | I339 C340 R468 I470 E474 R476 S486 I487 | I339-Y472 HydrophobicContact CB-CE1 4.46Å; C340-Y472 HydrophobicContact CB-CD1 3.72Å; C340-Y472 HydrophobicContact CB-CE1 4.13Å; C340-Y472 WeakPolarHBondContact SG-CD1 3.08Å; C340-Y472 WeakPolarHBondContact SG-CE1 3.47Å; R468-Y472 PolarHBondContact O-N 2.97Å; I470-Y472 VanDerWaalsContact C-N 3.29Å; I470-Y472 PolarHBondContact O-N 3.24Å; Y472-E474 VanDerWaalsContact C-N 3.34Å; Y472-E474 PolarHBondContact O-N 2.75Å; Y472-R476 PolarHBondContact O-N 2.79Å; Y472-R476 VanDerWaalsContact O-N 3.15Å; Y472-R476 PolarHBondContact OH-NH1 3.22Å; Y472-S486 VanDerWaalsContact CE2-OG 3.22Å; Y472-S486 WeakPolarHBondContact CE2-OG 3.48Å; Y472-I487 HydrophobicContact CD2-CB 4.45Å; Y472-I487 HydrophobicContact CD2-CG1 3.61Å; Y472-I487 HydrophobicContact CE2-CD1 4.17Å; Y472-I487 HydrophobicContact CE2-CG1 3.35Å; Y472-I487 HydrophobicContact CG-CG1 4.49Å |
| 473 | G | 79.2 | Confident | 83.6 | Confident | 7 Ų | 7 | 55.2 Ų | 55.2 | 7% | 0.072 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I470 L471 K477 | I470-G473 PolarHBondContact O-N 2.83Å; L471-G473 PolarHBondContact O-N 2.61Å; G473-K477 WeakPolarHBondContact O-CG 3.1Å; G473-K477 PolarHBondContact O-N 3.03Å |
| 474 | E | 84.7 | Confident | 83.1 | Confident | 86 Ų | 86 | 61 Ų | 61 | 40% | 0.402 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -71.4 | -43.6 | 177.8 | -65.7 | -53.9 | 130 | 0 | 0 | 113 | I470 L471 Y472 R476 K477 I478 | I470-E474 PolarHBondContact O-N 2.91Å; I470-E474 VanDerWaalsContact O-N 3.13Å; L471-E474 PolarHBondContact O-N 3.36Å; Y472-E474 VanDerWaalsContact C-N 3.34Å; Y472-E474 PolarHBondContact O-N 2.75Å; E474-R476 PolarHBondContact O-N 3.47Å; E474-K477 WeakPolarHBondContact O-CB 3.38Å; E474-K477 PolarHBondContact O-N 3.46Å; E474-K477 VanDerWaalsContact O-N 3.16Å; E474-K477 IonicContact OE1-NZ 2.69Å; E474-K477 PolarHBondContact OE1-NZ 3.37Å; E474-K477 IonicContact OE2-NZ 3.74Å; E474-I478 WeakPolarHBondContact O-CG1 3.49Å; E474-I478 PolarHBondContact O-N 3.45Å |
| 475 | Y | 86.9 | Confident | 82.7 | Confident | 42 Ų | 42 | 64.3 Ų | 64.3 | 17% | 0.165 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.4 | -35.5 | 176 | -78.9 | -58.2 | 0 | 0 | 0 | 112 | L471 I478 F482 F489 A490 T493 | L471-Y475 HydrophobicContact CB-CD2 4.15Å; L471-Y475 HydrophobicContact CB-CE2 3.98Å; L471-Y475 HydrophobicContact CD1-CE2 4.4Å; L471-Y475 WeakPolarHBondContact O-CD2 3.49Å; L471-Y475 PolarHBondContact O-N 3.05Å; Y475-I478 HydrophobicContact CD1-CD1 4.17Å; Y475-I478 PolarHBondContact O-N 3Å; Y475-F482 AromaticContact CD1-CD1 3.79Å; Y475-F482 HydrophobicContact CD1-CD1 3.79Å; Y475-F482 HydrophobicContact CD1-CE1 4.33Å; Y475-F482 HydrophobicContact CD1-CG 4.41Å; Y475-F482 HydrophobicContact CE1-CD1 4.29Å; Y475-F482 HydrophobicContact CE1-CE1 4.39Å; Y475-F482 VanDerWaalsContact O-CB 3.3Å; Y475-F482 WeakPolarHBondContact O-CB 3.46Å; Y475-F489 HydrophobicContact CD2-CB 4.43Å; Y475-F489 HydrophobicContact CG-CB 4.49Å; Y475-A490 HydrophobicContact CD2-CB 4.01Å; Y475-A490 HydrophobicContact CE2-CB 4.3Å; Y475-T493 WeakPolarHBondContact OH-CG2 3.2Å; Y475-T493 PolarHBondContact OH-OG1 3.47Å |
| 476 | R | 81.4 | Confident | 82.6 | Confident | 36 Ų | 36 | 64.2 Ų | 64.2 | 14% | 0.136 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 175.8 | -162 | -167.5 | -173 | 116.6 | 13.4 | 112.2 | N344 E346 Y472 E474 I478 G479 Q483 | N344-R476 WeakPolarHBondContact O-CD 3.32Å; E346-R476 VanDerWaalsContact N-NH1 3.12Å; E346-R476 IonicContact OE1-CZ 2.83Å; E346-R476 IonicContact OE1-NE 3.34Å; E346-R476 IonicContact OE1-NH2 3.7Å; E346-R476 PolarHBondContact OE1-NH2 2.8Å; E346-R476 IonicContact OE2-CZ 3.86Å; E346-R476 IonicContact OE2-NH2 3.06Å; E346-R476 PolarHBondContact OE2-NH2 3.45Å; Y472-R476 PolarHBondContact O-N 2.79Å; Y472-R476 VanDerWaalsContact O-N 3.15Å; Y472-R476 PolarHBondContact OH-NH1 3.22Å; E474-R476 PolarHBondContact O-N 3.47Å; R476-I478 VanDerWaalsContact C-N 3.26Å; R476-I478 PolarHBondContact O-N 2.63Å; R476-G479 PolarHBondContact O-N 3.03Å; R476-Q483 HydrophobicContact CG-CG 4.1Å |
| 477 | K | 83 | Confident | 82.5 | Confident | 112 Ų | 112 | 61.8 Ų | 61.8 | 49% | 0.487 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.6 | -33 | 178.1 | -78.4 | 167.8 | 166.9 | 166.5 | 0 | 113.6 | N344 G473 E474 G479 | N344-K477 HydrophobicContact CB-CG 4.37Å; N344-K477 WeakPolarHBondContact ND2-CE 3.36Å; N344-K477 VanDerWaalsContact OD1-CE 3.31Å; N344-K477 WeakPolarHBondContact OD1-CE 3.23Å; N344-K477 WeakPolarHBondContact OD1-CG 3.42Å; G473-K477 WeakPolarHBondContact O-CG 3.1Å; G473-K477 PolarHBondContact O-N 3.03Å; E474-K477 WeakPolarHBondContact O-CB 3.38Å; E474-K477 PolarHBondContact O-N 3.46Å; E474-K477 VanDerWaalsContact O-N 3.16Å; E474-K477 IonicContact OE1-NZ 2.69Å; E474-K477 PolarHBondContact OE1-NZ 3.37Å; E474-K477 IonicContact OE2-NZ 3.74Å; K477-G479 PolarHBondContact O-N 3.2Å |
| 478 | I | 85.2 | Confident | 82.3 | Confident | 114 Ų | 114 | 60.1 Ų | 60.1 | 59% | 0.585 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.2 | -27.9 | -179.1 | -65 | 169.5 | 0 | 0 | 0 | 111.4 | E474 Y475 R476 F482 | E474-I478 WeakPolarHBondContact O-CG1 3.49Å; E474-I478 PolarHBondContact O-N 3.45Å; Y475-I478 HydrophobicContact CD1-CD1 4.17Å; Y475-I478 PolarHBondContact O-N 3Å; R476-I478 VanDerWaalsContact C-N 3.26Å; R476-I478 PolarHBondContact O-N 2.63Å; I478-F482 HydrophobicContact CG2-CD2 3.92Å |
| 479 | G | 80.9 | Confident | 82.5 | Confident | 24 Ų | 24 | 61.6 Ų | 61.6 | 25% | 0.247 | 31% | 0.312 | C | S | . | . | trans | 76.8 | 177.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | R476 K477 | R476-G479 PolarHBondContact O-N 3.03Å; K477-G479 PolarHBondContact O-N 3.2Å | ||
| 480 | G | 86.8 | Confident | 83 | Confident | 51 Ų | 51 | 61 Ų | 61 | 53% | 0.526 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | -139.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F482 Q483 | G480-F482 PolarHBondContact O-N 3.26Å; G480-Q483 WeakPolarHBondContact O-CB 3.3Å; G480-Q483 PolarHBondContact O-N 3.33Å |
| 481 | I | 86.2 | Confident | 83.2 | Confident | 122 Ų | 122 | 57.2 Ų | 57.2 | 63% | 0.626 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.2 | -33.3 | -179.5 | -55.3 | 172.3 | 0 | 0 | 0 | 111 | Q483 H484 H485 F489 | I481-Q483 VanDerWaalsContact C-N 3.26Å; I481-Q483 PolarHBondContact O-N 2.96Å; I481-H484 PolarHBondContact O-N 3.47Å; I481-H485 PolarHBondContact O-N 2.88Å; I481-H485 VanDerWaalsContact O-N 3.09Å; I481-F489 HydrophobicContact CG2-CE2 4.2Å |
| 482 | F | 83.2 | Confident | 83.2 | Confident | 77 Ų | 77 | 62.1 Ų | 62.1 | 34% | 0.338 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.8 | -27.3 | 177.3 | -64.5 | -73.3 | 0 | 0 | 0 | 112.7 | Y475 I478 G480 S486 F489 | Y475-F482 AromaticContact CD1-CD1 3.79Å; Y475-F482 HydrophobicContact CD1-CD1 3.79Å; Y475-F482 HydrophobicContact CD1-CE1 4.33Å; Y475-F482 HydrophobicContact CD1-CG 4.41Å; Y475-F482 HydrophobicContact CE1-CD1 4.29Å; Y475-F482 HydrophobicContact CE1-CE1 4.39Å; Y475-F482 VanDerWaalsContact O-CB 3.3Å; Y475-F482 WeakPolarHBondContact O-CB 3.46Å; I478-F482 HydrophobicContact CG2-CD2 3.92Å; G480-F482 PolarHBondContact O-N 3.26Å; F482-S486 WeakPolarHBondContact O-CA 3.48Å; F482-S486 WeakPolarHBondContact O-CB 3.19Å; F482-S486 PolarHBondContact O-N 3.01Å; F482-F489 HydrophobicContact CD1-CB 4.49Å; F482-F489 HydrophobicContact CD1-CD1 4.46Å; F482-F489 AromaticContact CD1-CD2 3.72Å; F482-F489 HydrophobicContact CD1-CD2 3.72Å; F482-F489 AromaticContact CD1-CE2 3.99Å; F482-F489 HydrophobicContact CD1-CE2 3.99Å; F482-F489 AromaticContact CD1-CG 3.98Å; F482-F489 HydrophobicContact CD1-CG 3.98Å; F482-F489 HydrophobicContact CD1-CZ 4.47Å; F482-F489 HydrophobicContact CE1-CD1 4.17Å; F482-F489 HydrophobicContact CE1-CD2 4.18Å; F482-F489 HydrophobicContact CE1-CE1 4.22Å; F482-F489 HydrophobicContact CE1-CE2 4.22Å; F482-F489 HydrophobicContact CE1-CG 4.16Å; F482-F489 HydrophobicContact CE1-CZ 4.25Å |
| 483 | Q | 80 | Confident | 83.7 | Confident | 83 Ų | 83 | 63.1 Ų | 63.1 | 39% | 0.388 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.6 | -50.1 | 175.3 | -174.1 | 178.5 | -5.3 | 0 | 0 | 110.9 | R476 G480 I481 S486 | R476-Q483 HydrophobicContact CG-CG 4.1Å; G480-Q483 WeakPolarHBondContact O-CB 3.3Å; G480-Q483 PolarHBondContact O-N 3.33Å; I481-Q483 VanDerWaalsContact C-N 3.26Å; I481-Q483 PolarHBondContact O-N 2.96Å; Q483-S486 PolarHBondContact O-OG 3.28Å |
| 484 | H | 77.9 | Confident | 84.3 | Confident | 154 Ų | 154 | 63.1 Ų | 63.1 | 71% | 0.713 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -71 | -32.5 | -177 | -68.5 | -63.8 | 0 | 0 | 0 | 114 | I481 | I481-H484 PolarHBondContact O-N 3.47Å |
| 485 | H | 82.8 | Confident | 84.5 | Confident | 102 Ų | 102 | 59.5 Ų | 59.5 | 47% | 0.472 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 20.6 | -177.9 | -65.1 | -65.8 | 0 | 0 | 0 | 113.3 | I481 I487 E488 F489 | I481-H485 PolarHBondContact O-N 2.88Å; I481-H485 VanDerWaalsContact O-N 3.09Å; H485-I487 VanDerWaalsContact C-N 3.26Å; H485-I487 PolarHBondContact O-N 3.33Å; H485-E488 PolarHBondContact O-N 3.05Å; H485-F489 HydrophobicContact CB-CD2 3.73Å; H485-F489 HydrophobicContact CB-CE2 3.7Å; H485-F489 VanDerWaalsContact O-CD2 3.26Å; H485-F489 WeakPolarHBondContact O-CD2 3.45Å; H485-F489 PolarHBondContact O-N 3.48Å |
| 486 | S | 82.9 | Confident | 84.7 | Confident | 5 Ų | 5 | 59.3 Ų | 59.3 | 4% | 0.035 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -52.8 | -41.1 | -176.7 | 38.7 | 0 | 0 | 0 | 0 | 112.7 | Y472 F482 Q483 A490 | Y472-S486 VanDerWaalsContact CE2-OG 3.22Å; Y472-S486 WeakPolarHBondContact CE2-OG 3.48Å; F482-S486 WeakPolarHBondContact O-CA 3.48Å; F482-S486 WeakPolarHBondContact O-CB 3.19Å; F482-S486 PolarHBondContact O-N 3.01Å; Q483-S486 PolarHBondContact O-OG 3.28Å; S486-A490 VanDerWaalsContact O-CB 3.24Å; S486-A490 WeakPolarHBondContact O-CB 3.18Å; S486-A490 PolarHBondContact O-N 3.46Å |
| 487 | I | 78.8 | Confident | 85.3 | Confident | 15 Ų | 15 | 62.7 Ų | 62.7 | 8% | 0.077 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.4 | -46.8 | 178.4 | -58 | 173.6 | 0 | 0 | 0 | 111 | I339 R357 Y472 H485 A490 R491 | I339-I487 HydrophobicContact CD1-CD1 4.16Å; R357-I487 VanDerWaalsContact NH2-CG2 3.29Å; Y472-I487 HydrophobicContact CD2-CB 4.45Å; Y472-I487 HydrophobicContact CD2-CG1 3.61Å; Y472-I487 HydrophobicContact CE2-CD1 4.17Å; Y472-I487 HydrophobicContact CE2-CG1 3.35Å; Y472-I487 HydrophobicContact CG-CG1 4.49Å; H485-I487 VanDerWaalsContact C-N 3.26Å; H485-I487 PolarHBondContact O-N 3.33Å; I487-A490 PolarHBondContact O-N 3.28Å; I487-R491 WeakPolarHBondContact O-CD 3.36Å; I487-R491 WeakPolarHBondContact O-CG 3.2Å; I487-R491 PolarHBondContact O-N 2.83Å |
| 488 | E | 81.1 | Confident | 85.8 | Confident | 47 Ų | 47 | 57.5 Ų | 57.5 | 22% | 0.22 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.9 | -42.3 | -177.3 | -52.1 | -50.6 | 150.6 | 0 | 0 | 111.3 | R357 H485 A490 R491 W492 | R357-E488 IonicContact CZ-OE1 3.99Å; R357-E488 IonicContact NE-OE1 2.86Å; R357-E488 IonicContact NH2-OE1 2.75Å; R357-E488 PolarHBondContact NH2-OE1 3.4Å; H485-E488 PolarHBondContact O-N 3.05Å; E488-A490 PolarHBondContact O-N 2.88Å; E488-R491 WeakPolarHBondContact O-CB 3.48Å; E488-R491 PolarHBondContact O-N 3.28Å; E488-R491 IonicContact OE1-NH1 3.79Å; E488-R491 IonicContact OE2-CZ 2.78Å; E488-R491 IonicContact OE2-NH1 3.97Å; E488-R491 PolarHBondContact OE2-NH1 3.36Å; E488-W492 PolarHBondContact O-N 2.79Å |
| 489 | F | 86.6 | Confident | 86.1 | Confident | 56 Ų | 56 | 53.5 Ų | 53.5 | 25% | 0.246 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62 | -41.5 | 174.3 | -79.6 | -64.6 | 0 | 0 | 0 | 112.6 | Y475 I481 F482 H485 R491 W492 T493 | Y475-F489 HydrophobicContact CD2-CB 4.43Å; Y475-F489 HydrophobicContact CG-CB 4.49Å; I481-F489 HydrophobicContact CG2-CE2 4.2Å; F482-F489 HydrophobicContact CD1-CB 4.49Å; F482-F489 HydrophobicContact CD1-CD1 4.46Å; F482-F489 AromaticContact CD1-CD2 3.72Å; F482-F489 HydrophobicContact CD1-CD2 3.72Å; F482-F489 AromaticContact CD1-CE2 3.99Å; F482-F489 HydrophobicContact CD1-CE2 3.99Å; F482-F489 AromaticContact CD1-CG 3.98Å; F482-F489 HydrophobicContact CD1-CG 3.98Å; F482-F489 HydrophobicContact CD1-CZ 4.47Å; F482-F489 HydrophobicContact CE1-CD1 4.17Å; F482-F489 HydrophobicContact CE1-CD2 4.18Å; F482-F489 HydrophobicContact CE1-CE1 4.22Å; F482-F489 HydrophobicContact CE1-CE2 4.22Å; F482-F489 HydrophobicContact CE1-CG 4.16Å; F482-F489 HydrophobicContact CE1-CZ 4.25Å; H485-F489 HydrophobicContact CB-CD2 3.73Å; H485-F489 HydrophobicContact CB-CE2 3.7Å; H485-F489 VanDerWaalsContact O-CD2 3.26Å; H485-F489 WeakPolarHBondContact O-CD2 3.45Å; H485-F489 PolarHBondContact O-N 3.48Å; F489-R491 VanDerWaalsContact C-N 3.33Å; F489-R491 PolarHBondContact O-N 2.97Å; F489-W492 HydrophobicContact CD1-CE3 4.48Å; F489-T493 VanDerWaalsContact O-CB 3.24Å; F489-T493 WeakPolarHBondContact O-CB 3.33Å; F489-T493 PolarHBondContact O-N 2.68Å; F489-T493 PolarHBondContact O-OG1 2.97Å |
| 490 | A | 87.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R468 L471 Y475 S486 I487 E488 I494 | R468-A490 HydrophobicContact CG-CB 4.28Å; L471-A490 HydrophobicContact CB-CB 4.16Å; Y475-A490 HydrophobicContact CD2-CB 4.01Å; Y475-A490 HydrophobicContact CE2-CB 4.3Å; S486-A490 VanDerWaalsContact O-CB 3.24Å; S486-A490 WeakPolarHBondContact O-CB 3.18Å; S486-A490 PolarHBondContact O-N 3.46Å; I487-A490 PolarHBondContact O-N 3.28Å; E488-A490 PolarHBondContact O-N 2.88Å; A490-I494 WeakPolarHBondContact O-CG1 3.11Å; A490-I494 PolarHBondContact O-N 2.95Å |
| 491 | R | 85.5 | Confident | 87 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 3% | 0.034 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.3 | -53.4 | 177.6 | -70.1 | 166.3 | 80.4 | -167.6 | 5.7 | 112 | R468 I487 E488 F489 T493 I494 H495 E583 | R468-R491 VanDerWaalsContact NE-CG 3.34Å; R468-R491 VanDerWaalsContact NH2-CD 3.34Å; I487-R491 WeakPolarHBondContact O-CD 3.36Å; I487-R491 WeakPolarHBondContact O-CG 3.2Å; I487-R491 PolarHBondContact O-N 2.83Å; E488-R491 WeakPolarHBondContact O-CB 3.48Å; E488-R491 PolarHBondContact O-N 3.28Å; E488-R491 IonicContact OE1-NH1 3.79Å; E488-R491 IonicContact OE2-CZ 2.78Å; E488-R491 IonicContact OE2-NH1 3.97Å; E488-R491 PolarHBondContact OE2-NH1 3.36Å; F489-R491 VanDerWaalsContact C-N 3.33Å; F489-R491 PolarHBondContact O-N 2.97Å; R491-T493 VanDerWaalsContact C-N 3.28Å; R491-T493 PolarHBondContact O-N 2.72Å; R491-I494 PolarHBondContact O-N 2.7Å; R491-H495 WeakPolarHBondContact O-CB 3.38Å; R491-H495 PolarHBondContact O-N 3.42Å; R491-E583 IonicContact CZ-OE1 3.71Å; R491-E583 IonicContact CZ-OE2 3.72Å; R491-E583 IonicContact NE-OE1 3.67Å; R491-E583 IonicContact NE-OE2 2.7Å; R491-E583 IonicContact NH1-OE2 2.66Å; R491-E583 PolarHBondContact NH1-OE2 3.5Å; R491-E583 IonicContact NH2-OE1 3.72Å; R491-E583 IonicContact NH2-OE2 3.99Å; R491-E583 PolarHBondContact NH2-OE2 3.49Å |
| 492 | W | 86.8 | Confident | 87.4 | Confident | 147 Ų | 147 | 49 Ų | 49 | 56% | 0.557 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -61.8 | -39 | -178.6 | -64 | -9.3 | 0 | 0 | 0 | 112.2 | E488 F489 G496 | E488-W492 PolarHBondContact O-N 2.79Å; F489-W492 HydrophobicContact CD1-CE3 4.48Å; W492-G496 PolarHBondContact O-N 3.24Å |
| 493 | T | 91 | Very high | 87.8 | Confident | 37 Ų | 37 | 48 Ų | 48 | 23% | 0.227 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.5 | -48.3 | 176.9 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | L471 Y475 F489 R491 G496 F497 | L471-T493 HydrophobicContact CD1-CG2 4.04Å; Y475-T493 WeakPolarHBondContact OH-CG2 3.2Å; Y475-T493 PolarHBondContact OH-OG1 3.47Å; F489-T493 VanDerWaalsContact O-CB 3.24Å; F489-T493 WeakPolarHBondContact O-CB 3.33Å; F489-T493 PolarHBondContact O-N 2.68Å; F489-T493 PolarHBondContact O-OG1 2.97Å; R491-T493 VanDerWaalsContact C-N 3.28Å; R491-T493 PolarHBondContact O-N 2.72Å; T493-G496 PolarHBondContact O-N 3.12Å; T493-F497 HydrophobicContact CG2-CD2 3.74Å; T493-F497 HydrophobicContact CG2-CE2 3.4Å; T493-F497 HydrophobicContact CG2-CZ 4.47Å; T493-F497 WeakPolarHBondContact O-CD2 3.29Å; T493-F497 PolarHBondContact O-N 3.3Å |
| 494 | I | 90.9 | Very high | 88.5 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.9 | -44.6 | 177.7 | -69.3 | -57 | 0 | 0 | 0 | 111.6 | L464 L467 R468 L471 A490 R491 G496 F497 I498 | L464-I494 WeakPolarHBondContact O-CD1 3.34Å; L464-I494 WeakPolarHBondContact O-CG2 3.32Å; L467-I494 HydrophobicContact CB-CD1 4.15Å; R468-I494 HydrophobicContact CB-CG1 3.93Å; R468-I494 HydrophobicContact CG-CG1 4.44Å; L471-I494 HydrophobicContact CD1-CD1 3.38Å; L471-I494 HydrophobicContact CD1-CG1 3.76Å; L471-I494 HydrophobicContact CG-CD1 4.41Å; A490-I494 WeakPolarHBondContact O-CG1 3.11Å; A490-I494 PolarHBondContact O-N 2.95Å; R491-I494 PolarHBondContact O-N 2.7Å; I494-G496 VanDerWaalsContact C-N 3.27Å; I494-G496 PolarHBondContact O-N 3.4Å; I494-F497 PolarHBondContact O-N 3.15Å; I494-F497 VanDerWaalsContact O-N 3.13Å; I494-I498 HydrophobicContact CG2-CD1 3.67Å; I494-I498 HydrophobicContact CG2-CG1 4.18Å; I494-I498 WeakPolarHBondContact O-CB 3.15Å; I494-I498 WeakPolarHBondContact O-CG1 3.37Å; I494-I498 PolarHBondContact O-N 3.02Å |
| 495 | H | 90.1 | Very high | 89.3 | Confident | 11 Ų | 11 | 43.3 Ų | 43.3 | 5% | 0.051 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.3 | -38.3 | 176.5 | -65 | 167.3 | 0 | 0 | 0 | 111.6 | R491 I498 F499 E583 I587 | R491-H495 WeakPolarHBondContact O-CB 3.38Å; R491-H495 PolarHBondContact O-N 3.42Å; H495-I498 PolarHBondContact O-N 3.17Å; H495-F499 WeakPolarHBondContact O-CB 3.09Å; H495-F499 PolarHBondContact O-N 2.86Å; H495-E583 IonicContact CE1-OE1 3.86Å; H495-E583 IonicContact ND1-OE1 3.86Å; H495-I587 HydrophobicContact CB-CD1 4.04Å; H495-I587 HydrophobicContact CB-CG2 4.19Å; H495-I587 WeakPolarHBondContact ND1-CD1 3.32Å |
| 496 | G | 90.8 | Very high | 89.8 | Confident | 37 Ų | 37 | 39.5 Ų | 39.5 | 38% | 0.381 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.1 | -43 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | W492 T493 I494 F499 L500 | W492-G496 PolarHBondContact O-N 3.24Å; T493-G496 PolarHBondContact O-N 3.12Å; I494-G496 VanDerWaalsContact C-N 3.27Å; I494-G496 PolarHBondContact O-N 3.4Å; G496-F499 PolarHBondContact O-N 3.16Å; G496-L500 PolarHBondContact O-N 3.47Å |
| 497 | F | 93.4 | Very high | 90.2 | Very high | 108 Ų | 108 | 45.7 Ų | 45.7 | 47% | 0.474 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.3 | -38.8 | 175.4 | -76.5 | -56.5 | 0 | 0 | 0 | 113.1 | L464 T493 I494 L500 A501 | L464-F497 HydrophobicContact CD2-CB 4.49Å; T493-F497 HydrophobicContact CG2-CD2 3.74Å; T493-F497 HydrophobicContact CG2-CE2 3.4Å; T493-F497 HydrophobicContact CG2-CZ 4.47Å; T493-F497 WeakPolarHBondContact O-CD2 3.29Å; T493-F497 PolarHBondContact O-N 3.3Å; I494-F497 PolarHBondContact O-N 3.15Å; I494-F497 VanDerWaalsContact O-N 3.13Å; F497-L500 PolarHBondContact O-N 2.96Å; F497-A501 WeakPolarHBondContact O-CB 3.15Å; F497-A501 PolarHBondContact O-N 3.39Å |
| 498 | I | 93.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.4 | -50 | 173.2 | -73.3 | 172.7 | 0 | 0 | 0 | 109.4 | L461 L464 I494 H495 L500 A501 V502 P547 L588 | L461-I498 HydrophobicContact CD2-CG2 4.21Å; L464-I498 HydrophobicContact CB-CG1 4.01Å; L464-I498 HydrophobicContact CD1-CG1 4.35Å; I494-I498 HydrophobicContact CG2-CD1 3.67Å; I494-I498 HydrophobicContact CG2-CG1 4.18Å; I494-I498 WeakPolarHBondContact O-CB 3.15Å; I494-I498 WeakPolarHBondContact O-CG1 3.37Å; I494-I498 PolarHBondContact O-N 3.02Å; H495-I498 PolarHBondContact O-N 3.17Å; I498-L500 VanDerWaalsContact C-N 3.34Å; I498-L500 PolarHBondContact O-N 2.83Å; I498-A501 PolarHBondContact O-N 3.03Å; I498-V502 HydrophobicContact CG2-CG2 4.47Å; I498-V502 WeakPolarHBondContact O-CG2 3.23Å; I498-V502 PolarHBondContact O-N 3.38Å; I498-P547 HydrophobicContact CD1-CB 4.41Å; I498-P547 HydrophobicContact CG2-CB 3.91Å; I498-P547 HydrophobicContact CG2-CG 3.85Å; I498-L588 HydrophobicContact CG2-CD2 4.44Å |
| 499 | F | 91.6 | Very high | 91.6 | Very high | 31 Ų | 31 | 45.6 Ų | 45.6 | 14% | 0.136 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.7 | -45.5 | 177.2 | 179.4 | -112 | 0 | 0 | 0 | 112 | H495 G496 A501 V502 L503 L588 A591 R592 L595 | H495-F499 WeakPolarHBondContact O-CB 3.09Å; H495-F499 PolarHBondContact O-N 2.86Å; G496-F499 PolarHBondContact O-N 3.16Å; F499-A501 PolarHBondContact O-N 3.48Å; F499-V502 PolarHBondContact O-N 3.43Å; F499-L503 HydrophobicContact CD1-CD1 4.05Å; F499-L503 HydrophobicContact CE1-CD1 3.57Å; F499-L503 HydrophobicContact CE1-CG 4.38Å; F499-L503 HydrophobicContact CE2-CD1 4.38Å; F499-L503 HydrophobicContact CE2-CD2 4.4Å; F499-L503 HydrophobicContact CE2-CG 4.37Å; F499-L503 HydrophobicContact CZ-CD1 3.76Å; F499-L503 HydrophobicContact CZ-CD2 4.28Å; F499-L503 HydrophobicContact CZ-CG 4.2Å; F499-L503 WeakPolarHBondContact O-CG 2.94Å; F499-L503 PolarHBondContact O-N 3.42Å; F499-L503 VanDerWaalsContact O-N 3.1Å; F499-L588 HydrophobicContact CB-CD2 3.99Å; F499-L588 HydrophobicContact CD2-CD2 3.99Å; F499-L588 HydrophobicContact CG-CD2 4.49Å; F499-A591 HydrophobicContact CD1-CB 4.01Å; F499-A591 HydrophobicContact CD2-CB 3.88Å; F499-A591 HydrophobicContact CE1-CB 3.74Å; F499-A591 HydrophobicContact CE2-CB 3.61Å; F499-A591 HydrophobicContact CG-CB 4.07Å; F499-A591 HydrophobicContact CZ-CB 3.53Å; F499-R592 HydrophobicContact CE2-CB 4.37Å; F499-L595 HydrophobicContact CE1-CD2 4.3Å; F499-L595 HydrophobicContact CZ-CB 4.33Å; F499-L595 HydrophobicContact CZ-CD2 3.9Å |
| 500 | L | 92.7 | Very high | 91.8 | Very high | 89 Ų | 89 | 44.6 Ų | 44.6 | 47% | 0.466 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.8 | -42.8 | 176.6 | -179.2 | 62.3 | 0 | 0 | 0 | 112.3 | G496 F497 I498 L503 I504 | G496-L500 PolarHBondContact O-N 3.47Å; F497-L500 PolarHBondContact O-N 2.96Å; I498-L500 VanDerWaalsContact C-N 3.34Å; I498-L500 PolarHBondContact O-N 2.83Å; L500-L503 PolarHBondContact O-N 3.36Å; L500-I504 HydrophobicContact CD1-CD1 4.23Å; L500-I504 HydrophobicContact CG-CD1 4.02Å; L500-I504 VanDerWaalsContact O-CG1 3.31Å; L500-I504 WeakPolarHBondContact O-CG1 3.11Å; L500-I504 PolarHBondContact O-N 3.09Å; L500-I504 VanDerWaalsContact O-N 3.08Å |
| 501 | A | 94.9 | Very high | 92 | Very high | 12 Ų | 12 | 50.4 Ų | 50.4 | 10% | 0.099 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L461 L464 F497 I498 F499 L503 I504 Y505 | L461-A501 HydrophobicContact CD2-CB 3.96Å; L464-A501 HydrophobicContact CD1-CB 3.73Å; F497-A501 WeakPolarHBondContact O-CB 3.15Å; F497-A501 PolarHBondContact O-N 3.39Å; I498-A501 PolarHBondContact O-N 3.03Å; F499-A501 PolarHBondContact O-N 3.48Å; A501-L503 VanDerWaalsContact C-N 3.35Å; A501-L503 PolarHBondContact O-N 3.42Å; A501-I504 PolarHBondContact O-N 3.26Å; A501-Y505 WeakPolarHBondContact O-CD2 3.49Å; A501-Y505 PolarHBondContact O-N 2.94Å |
| 502 | V | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.7 | -50.2 | 175.8 | 169.9 | 0 | 0 | 0 | 0 | 110.4 | L461 I498 F499 I504 Y505 D506 N543 | L461-V502 HydrophobicContact CD1-CG2 4.28Å; L461-V502 HydrophobicContact CD2-CG2 3.83Å; I498-V502 HydrophobicContact CG2-CG2 4.47Å; I498-V502 WeakPolarHBondContact O-CG2 3.23Å; I498-V502 PolarHBondContact O-N 3.38Å; F499-V502 PolarHBondContact O-N 3.43Å; V502-I504 PolarHBondContact O-N 3.06Å; V502-Y505 PolarHBondContact O-N 2.92Å; V502-D506 PolarHBondContact O-N 2.87Å; V502-N543 PolarHBondContact O-ND2 3.31Å |
| 503 | L | 91.5 | Very high | 92.7 | Very high | 58 Ų | 58 | 45.6 Ų | 45.6 | 30% | 0.304 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.1 | -41.6 | 178.7 | -67.9 | 175.2 | 0 | 0 | 0 | 113.6 | F499 L500 A501 K507 L595 | F499-L503 HydrophobicContact CD1-CD1 4.05Å; F499-L503 HydrophobicContact CE1-CD1 3.57Å; F499-L503 HydrophobicContact CE1-CG 4.38Å; F499-L503 HydrophobicContact CE2-CD1 4.38Å; F499-L503 HydrophobicContact CE2-CD2 4.4Å; F499-L503 HydrophobicContact CE2-CG 4.37Å; F499-L503 HydrophobicContact CZ-CD1 3.76Å; F499-L503 HydrophobicContact CZ-CD2 4.28Å; F499-L503 HydrophobicContact CZ-CG 4.2Å; F499-L503 WeakPolarHBondContact O-CG 2.94Å; F499-L503 PolarHBondContact O-N 3.42Å; F499-L503 VanDerWaalsContact O-N 3.1Å; L500-L503 PolarHBondContact O-N 3.36Å; A501-L503 VanDerWaalsContact C-N 3.35Å; A501-L503 PolarHBondContact O-N 3.42Å; L503-K507 WeakPolarHBondContact O-CB 3.37Å; L503-K507 PolarHBondContact O-N 3.45Å; L503-L595 HydrophobicContact CD1-CD2 3.5Å; L503-L595 VanDerWaalsContact CD1-CD2 3.5Å; L503-L595 HydrophobicContact CD2-CD2 3.69Å; L503-L595 HydrophobicContact CG-CD2 4.25Å |
| 504 | I | 94.5 | Very high | 92.7 | Very high | 93 Ų | 93 | 47.7 Ų | 47.7 | 48% | 0.477 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64 | -47.9 | 178.3 | -69.4 | 167.1 | 0 | 0 | 0 | 109.6 | L500 A501 V502 K507 V508 | L500-I504 HydrophobicContact CD1-CD1 4.23Å; L500-I504 HydrophobicContact CG-CD1 4.02Å; L500-I504 VanDerWaalsContact O-CG1 3.31Å; L500-I504 WeakPolarHBondContact O-CG1 3.11Å; L500-I504 PolarHBondContact O-N 3.09Å; L500-I504 VanDerWaalsContact O-N 3.08Å; A501-I504 PolarHBondContact O-N 3.26Å; V502-I504 PolarHBondContact O-N 3.06Å; I504-K507 PolarHBondContact O-N 3.5Å; I504-V508 HydrophobicContact CG2-CG2 4.3Å; I504-V508 WeakPolarHBondContact O-CB 3.34Å; I504-V508 VanDerWaalsContact O-CG2 3.26Å; I504-V508 WeakPolarHBondContact O-CG2 3.37Å; I504-V508 PolarHBondContact O-N 3.43Å |
| 505 | Y | 95.8 | Very high | 92.7 | Very high | 45 Ų | 45 | 56.2 Ų | 56.2 | 18% | 0.176 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 179.2 | -92 | -76.5 | 0 | 0 | 0 | 112.1 | M453 S456 A457 V460 A501 V502 K507 V508 Y509 F539 | M453-Y505 HydrophobicContact CE-CD1 4.17Å; M453-Y505 HydrophobicContact CE-CE1 4.26Å; S456-Y505 PolarHBondContact O-OH 3.27Å; A457-Y505 HydrophobicContact CB-CD1 3.75Å; A457-Y505 HydrophobicContact CB-CD2 4.24Å; A457-Y505 HydrophobicContact CB-CE1 3.82Å; A457-Y505 HydrophobicContact CB-CE2 4.33Å; A457-Y505 HydrophobicContact CB-CG 3.96Å; V460-Y505 HydrophobicContact CB-CE2 4.25Å; V460-Y505 HydrophobicContact CG1-CE2 4.28Å; V460-Y505 HydrophobicContact CG2-CE2 4.46Å; V460-Y505 WeakPolarHBondContact CG2-OH 3.31Å; A501-Y505 WeakPolarHBondContact O-CD2 3.49Å; A501-Y505 PolarHBondContact O-N 2.94Å; V502-Y505 PolarHBondContact O-N 2.92Å; Y505-K507 PolarHBondContact O-N 3.23Å; Y505-V508 PolarHBondContact O-N 3.15Å; Y505-Y509 VanDerWaalsContact O-CB 3.26Å; Y505-Y509 WeakPolarHBondContact O-CB 3.47Å; Y505-Y509 PolarHBondContact O-N 2.99Å; Y505-F539 HydrophobicContact CD1-CZ 4.17Å |
| 506 | D | 92.5 | Very high | 93 | Very high | 21 Ų | 21 | 56.3 Ų | 56.3 | 11% | 0.112 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 176.4 | -74.4 | -12.4 | 0 | 0 | 0 | 111.3 | V502 Y509 N510 N543 | V502-D506 PolarHBondContact O-N 2.87Å; D506-Y509 PolarHBondContact O-N 3.32Å; D506-N510 WeakPolarHBondContact O-CB 3.29Å; D506-N510 PolarHBondContact O-N 3.07Å; D506-N543 PolarHBondContact OD1-ND2 3.48Å |
| 507 | K | 91.2 | Very high | 93.1 | Very high | 135 Ų | 135 | 54.6 Ų | 54.6 | 59% | 0.587 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64.3 | -45.1 | 179.4 | -171.5 | 62.7 | 174.1 | -176.7 | 0 | 112 | L503 I504 Y505 L511 | L503-K507 WeakPolarHBondContact O-CB 3.37Å; L503-K507 PolarHBondContact O-N 3.45Å; I504-K507 PolarHBondContact O-N 3.5Å; Y505-K507 PolarHBondContact O-N 3.23Å; K507-L511 WeakPolarHBondContact O-CD1 3.2Å; K507-L511 WeakPolarHBondContact O-CG 3.1Å; K507-L511 PolarHBondContact O-N 3.47Å |
| 508 | V | 94.9 | Very high | 93 | Very high | 59 Ų | 59 | 50.8 Ų | 50.8 | 36% | 0.358 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64 | -44.4 | 178.2 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | M453 I504 Y505 L511 I512 | M453-V508 HydrophobicContact CE-CG1 4.04Å; I504-V508 HydrophobicContact CG2-CG2 4.3Å; I504-V508 WeakPolarHBondContact O-CB 3.34Å; I504-V508 VanDerWaalsContact O-CG2 3.26Å; I504-V508 WeakPolarHBondContact O-CG2 3.37Å; I504-V508 PolarHBondContact O-N 3.43Å; Y505-V508 PolarHBondContact O-N 3.15Å; V508-L511 WeakPolarHBondContact O-CB 3.19Å; V508-L511 PolarHBondContact O-N 3.19Å; V508-I512 HydrophobicContact CG1-CD1 3.79Å; V508-I512 WeakPolarHBondContact O-CG1 3.35Å; V508-I512 PolarHBondContact O-N 3.1Å |
| 509 | Y | 95.7 | Very high | 92.9 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.2 | -40.2 | -179.1 | -174.1 | -96.2 | 0 | 0 | 0 | 112.3 | T450 M453 Y505 D506 L511 I512 C513 K535 L536 F539 | T450-Y509 HydrophobicContact CG2-CE2 3.99Å; T450-Y509 WeakPolarHBondContact CG2-OH 3.38Å; M453-Y509 HydrophobicContact CB-CD2 4.06Å; M453-Y509 HydrophobicContact CB-CE2 4.32Å; M453-Y509 HydrophobicContact CG-CD2 4.24Å; Y505-Y509 VanDerWaalsContact O-CB 3.26Å; Y505-Y509 WeakPolarHBondContact O-CB 3.47Å; Y505-Y509 PolarHBondContact O-N 2.99Å; D506-Y509 PolarHBondContact O-N 3.32Å; Y509-L511 VanDerWaalsContact C-N 3.31Å; Y509-L511 PolarHBondContact O-N 3.25Å; Y509-I512 CarbonylContact O-C 3.53Å; Y509-I512 PolarHBondContact O-N 3.39Å; Y509-I512 VanDerWaalsContact O-N 3.08Å; Y509-C513 HydrophobicContact CD1-CB 4.12Å; Y509-C513 HydrophobicContact CE1-CB 3.87Å; Y509-C513 WeakPolarHBondContact O-CB 3.31Å; Y509-C513 PolarHBondContact O-N 3.26Å; Y509-K535 WeakPolarHBondContact OH-CB 3.45Å; Y509-K535 PolarHBondContact OH-O 3.47Å; Y509-L536 HydrophobicContact CD1-CD1 4.14Å; Y509-L536 HydrophobicContact CE1-CD1 4.46Å; Y509-F539 HydrophobicContact CD1-CB 3.55Å; Y509-F539 AromaticContact CD1-CD1 3.5Å; Y509-F539 HydrophobicContact CD1-CD1 3.5Å; Y509-F539 HydrophobicContact CD1-CD2 4.07Å; Y509-F539 HydrophobicContact CD1-CE1 4.25Å; Y509-F539 AromaticContact CD1-CG 3.4Å; Y509-F539 HydrophobicContact CD1-CG 3.4Å; Y509-F539 HydrophobicContact CD2-CB 4.34Å; Y509-F539 HydrophobicContact CD2-CD1 4.1Å; Y509-F539 AromaticContact CD2-CD2 3.4Å; Y509-F539 HydrophobicContact CD2-CD2 3.4Å; Y509-F539 HydrophobicContact CD2-CE1 4.3Å; Y509-F539 AromaticContact CD2-CE2 3.65Å; Y509-F539 HydrophobicContact CD2-CE2 3.65Å; Y509-F539 AromaticContact CD2-CG 3.65Å; Y509-F539 HydrophobicContact CD2-CG 3.65Å; Y509-F539 HydrophobicContact CD2-CZ 4.09Å; Y509-F539 HydrophobicContact CE1-CB 3.29Å; Y509-F539 HydrophobicContact CE1-CD1 4.19Å; Y509-F539 HydrophobicContact CE1-CD2 4.22Å; Y509-F539 AromaticContact CE1-CG 3.63Å; Y509-F539 HydrophobicContact CE1-CG 3.63Å; Y509-F539 HydrophobicContact CE2-CB 4.11Å; Y509-F539 AromaticContact CE2-CD2 3.54Å; Y509-F539 HydrophobicContact CE2-CD2 3.54Å; Y509-F539 HydrophobicContact CE2-CE2 4.18Å; Y509-F539 AromaticContact CE2-CG 3.85Å; Y509-F539 HydrophobicContact CE2-CG 3.85Å; Y509-F539 HydrophobicContact CG-CB 4.05Å; Y509-F539 AromaticContact CG-CD1 3.43Å; Y509-F539 HydrophobicContact CG-CD1 3.43Å; Y509-F539 VanDerWaalsContact CG-CD1 3.43Å; Y509-F539 AromaticContact CG-CD2 3.65Å; Y509-F539 HydrophobicContact CG-CD2 3.65Å; Y509-F539 AromaticContact CG-CE1 3.73Å; Y509-F539 HydrophobicContact CG-CE1 3.73Å; Y509-F539 AromaticContact CG-CE2 3.94Å; Y509-F539 HydrophobicContact CG-CE2 3.94Å; Y509-F539 AromaticContact CG-CG 3.39Å; Y509-F539 HydrophobicContact CG-CG 3.39Å; Y509-F539 AromaticContact CG-CZ 3.98Å; Y509-F539 HydrophobicContact CG-CZ 3.98Å; Y509-F539 AromaticContact CZ-CD2 3.94Å; Y509-F539 AromaticContact CZ-CG 3.82Å |
| 510 | N | 90.6 | Very high | 93 | Very high | 34 Ų | 34 | 52.5 Ų | 52.5 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.1 | -44.4 | 176 | -172.9 | -20.6 | 0 | 0 | 0 | 111.6 | D506 I512 C513 H514 L536 | D506-N510 WeakPolarHBondContact O-CB 3.29Å; D506-N510 PolarHBondContact O-N 3.07Å; N510-I512 VanDerWaalsContact C-N 3.32Å; N510-I512 PolarHBondContact O-N 3.43Å; N510-C513 PolarHBondContact O-N 3.03Å; N510-H514 PolarHBondContact O-N 3.07Å; N510-L536 HydrophobicContact CB-CD1 4.21Å |
| 511 | L | 91 | Very high | 92.9 | Very high | 123 Ų | 123 | 50.7 Ų | 50.7 | 64% | 0.644 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -58.5 | -41.3 | 174.9 | -70.3 | 157.9 | 0 | 0 | 0 | 112.5 | K507 V508 Y509 | K507-L511 WeakPolarHBondContact O-CD1 3.2Å; K507-L511 WeakPolarHBondContact O-CG 3.1Å; K507-L511 PolarHBondContact O-N 3.47Å; V508-L511 WeakPolarHBondContact O-CB 3.19Å; V508-L511 PolarHBondContact O-N 3.19Å; Y509-L511 VanDerWaalsContact C-N 3.31Å; Y509-L511 PolarHBondContact O-N 3.25Å |
| 512 | I | 94.1 | Very high | 92.8 | Very high | 54 Ų | 54 | 50.4 Ų | 50.4 | 28% | 0.277 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -75.1 | -41.5 | -179.7 | -64.8 | 168.4 | 0 | 0 | 0 | 111.1 | V449 M453 V508 Y509 N510 H514 R515 L516 | V449-I512 HydrophobicContact CG1-CG2 4.35Å; M453-I512 HydrophobicContact CE-CD1 4.18Å; M453-I512 HydrophobicContact SD-CD1 4.3Å; V508-I512 HydrophobicContact CG1-CD1 3.79Å; V508-I512 WeakPolarHBondContact O-CG1 3.35Å; V508-I512 PolarHBondContact O-N 3.1Å; Y509-I512 CarbonylContact O-C 3.53Å; Y509-I512 PolarHBondContact O-N 3.39Å; Y509-I512 VanDerWaalsContact O-N 3.08Å; N510-I512 VanDerWaalsContact C-N 3.32Å; N510-I512 PolarHBondContact O-N 3.43Å; I512-H514 VanDerWaalsContact C-N 3.31Å; I512-H514 PolarHBondContact O-N 3.18Å; I512-R515 WeakPolarHBondContact O-CB 3.47Å; I512-R515 PolarHBondContact O-N 3.28Å; I512-L516 HydrophobicContact CG2-CD1 3.7Å; I512-L516 HydrophobicContact CG2-CD2 4.47Å; I512-L516 HydrophobicContact CG2-CG 3.8Å; I512-L516 WeakPolarHBondContact O-CG 3.36Å; I512-L516 PolarHBondContact O-N 2.94Å |
| 513 | C | 93.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.8 | -39.5 | -172.6 | -174.4 | 0 | 0 | 0 | 0 | 112.2 | Y509 N510 R515 L516 T517 F532 | Y509-C513 HydrophobicContact CD1-CB 4.12Å; Y509-C513 HydrophobicContact CE1-CB 3.87Å; Y509-C513 WeakPolarHBondContact O-CB 3.31Å; Y509-C513 PolarHBondContact O-N 3.26Å; N510-C513 PolarHBondContact O-N 3.03Å; C513-R515 VanDerWaalsContact C-N 3.33Å; C513-R515 PolarHBondContact O-N 3.13Å; C513-L516 PolarHBondContact O-N 2.91Å; C513-T517 WeakPolarHBondContact O-CB 3.25Å; C513-T517 PolarHBondContact O-N 3.34Å; C513-T517 PolarHBondContact O-OG1 3.15Å; C513-F532 HydrophobicContact CB-CD2 4.48Å; C513-F532 HydrophobicContact CB-CE2 4.18Å |
| 514 | H | 89.4 | Confident | 92.4 | Very high | 82 Ų | 82 | 50 Ų | 50 | 38% | 0.38 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59 | -46.3 | 174.9 | -170.9 | 74.7 | 0 | 0 | 0 | 111.3 | N510 I512 T517 T518 Y528 F532 | N510-H514 PolarHBondContact O-N 3.07Å; I512-H514 VanDerWaalsContact C-N 3.31Å; I512-H514 PolarHBondContact O-N 3.18Å; H514-T517 PolarHBondContact O-N 3.03Å; H514-T518 VanDerWaalsContact O-CG2 3.31Å; H514-T518 WeakPolarHBondContact O-CG2 3.46Å; H514-T518 PolarHBondContact O-N 3.05Å; H514-T518 VanDerWaalsContact O-N 3.09Å; H514-T518 PolarHBondContact O-OG1 2.83Å; H514-Y528 PolarHBondContact CE1-OH 3.03Å; H514-Y528 PolarHBondContact ND1-OH 2.87Å; H514-F532 HydrophobicContact CB-CE2 4.4Å |
| 515 | R | 92.2 | Very high | 91.9 | Very high | 185 Ų | 185 | 49.8 Ų | 49.8 | 70% | 0.698 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -65.9 | -47.6 | 179.4 | -172.8 | 171 | -179.2 | 149.8 | -1.9 | 111.3 | I512 C513 T517 T518 M519 | I512-R515 WeakPolarHBondContact O-CB 3.47Å; I512-R515 PolarHBondContact O-N 3.28Å; C513-R515 VanDerWaalsContact C-N 3.33Å; C513-R515 PolarHBondContact O-N 3.13Å; R515-T517 VanDerWaalsContact C-N 3.33Å; R515-T517 PolarHBondContact O-N 3.47Å; R515-T518 PolarHBondContact O-N 2.99Å; R515-T518 PolarHBondContact O-OG1 3.2Å; R515-M519 HydrophobicContact CG-SD 4.41Å; R515-M519 WeakPolarHBondContact O-CG 3.46Å; R515-M519 PolarHBondContact O-N 3.33Å |
| 516 | L | 94.7 | Very high | 91.4 | Very high | 13 Ų | 13 | 52.5 Ų | 52.5 | 7% | 0.068 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.5 | -49.1 | 176.6 | -70.1 | -178.1 | 0 | 0 | 0 | 111.6 | V449 T450 I512 C513 T518 M519 E520 | V449-L516 HydrophobicContact CB-CD1 4.12Å; V449-L516 HydrophobicContact CB-CD2 4.09Å; V449-L516 HydrophobicContact CG1-CD1 3.86Å; V449-L516 HydrophobicContact CG1-CD2 4.1Å; V449-L516 HydrophobicContact CG2-CD2 4.28Å; T450-L516 HydrophobicContact CG2-CD1 3.92Å; I512-L516 HydrophobicContact CG2-CD1 3.7Å; I512-L516 HydrophobicContact CG2-CD2 4.47Å; I512-L516 HydrophobicContact CG2-CG 3.8Å; I512-L516 WeakPolarHBondContact O-CG 3.36Å; I512-L516 PolarHBondContact O-N 2.94Å; C513-L516 PolarHBondContact O-N 2.91Å; L516-T518 VanDerWaalsContact C-N 3.33Å; L516-T518 PolarHBondContact O-N 3.37Å; L516-M519 WeakPolarHBondContact O-CB 3.34Å; L516-M519 PolarHBondContact O-N 2.84Å; L516-E520 PolarHBondContact O-N 3.43Å |
| 517 | T | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.3 | -34.6 | -179 | -47.9 | 0 | 0 | 0 | 0 | 112.4 | C513 H514 R515 M519 E520 P522 Y528 F532 | C513-T517 WeakPolarHBondContact O-CB 3.25Å; C513-T517 PolarHBondContact O-N 3.34Å; C513-T517 PolarHBondContact O-OG1 3.15Å; H514-T517 PolarHBondContact O-N 3.03Å; R515-T517 VanDerWaalsContact C-N 3.33Å; R515-T517 PolarHBondContact O-N 3.47Å; T517-M519 VanDerWaalsContact C-N 3.28Å; T517-M519 PolarHBondContact O-N 3.43Å; T517-E520 PolarHBondContact O-N 2.69Å; T517-P522 WeakPolarHBondContact O-CD 3.44Å; T517-Y528 HydrophobicContact CG2-CD2 3.66Å; T517-Y528 HydrophobicContact CG2-CE2 3.63Å; T517-Y528 HydrophobicContact CG2-CG 4.43Å; T517-F532 HydrophobicContact CG2-CB 3.94Å |
| 518 | T | 90.9 | Very high | 91.4 | Very high | 29 Ų | 29 | 49.7 Ų | 49.7 | 18% | 0.178 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.3 | -25.6 | 173.5 | 63.3 | 0 | 0 | 0 | 0 | 113.5 | K417 H514 R515 L516 Y528 | K417-T518 PolarHBondContact NZ-O 3.42Å; H514-T518 VanDerWaalsContact O-CG2 3.31Å; H514-T518 WeakPolarHBondContact O-CG2 3.46Å; H514-T518 PolarHBondContact O-N 3.05Å; H514-T518 VanDerWaalsContact O-N 3.09Å; H514-T518 PolarHBondContact O-OG1 2.83Å; R515-T518 PolarHBondContact O-N 2.99Å; R515-T518 PolarHBondContact O-OG1 3.2Å; L516-T518 VanDerWaalsContact C-N 3.33Å; L516-T518 PolarHBondContact O-N 3.37Å; T518-Y528 HydrophobicContact CG2-CE2 3.82Å |
| 519 | M | 91.8 | Very high | 91.2 | Very high | 55 Ų | 55 | 49.1 Ų | 49.1 | 27% | 0.271 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -72 | -33.1 | 175.4 | -72.9 | 175.8 | 56.8 | 0 | 0 | 112.2 | Y442 L445 R515 L516 T517 R521 | Y442-M519 WeakPolarHBondContact CB-O 3.2Å; Y442-M519 HydrophobicContact CD1-CB 4.33Å; Y442-M519 HydrophobicContact CD1-CE 3.99Å; Y442-M519 HydrophobicContact CE1-CE 4.14Å; L445-M519 HydrophobicContact CD2-CE 3.66Å; R515-M519 HydrophobicContact CG-SD 4.41Å; R515-M519 WeakPolarHBondContact O-CG 3.46Å; R515-M519 PolarHBondContact O-N 3.33Å; L516-M519 WeakPolarHBondContact O-CB 3.34Å; L516-M519 PolarHBondContact O-N 2.84Å; T517-M519 VanDerWaalsContact C-N 3.28Å; T517-M519 PolarHBondContact O-N 3.43Å; M519-R521 VanDerWaalsContact O-CG 3.26Å; M519-R521 WeakPolarHBondContact O-CG 3.25Å; M519-R521 PolarHBondContact O-N 2.94Å; M519-R521 VanDerWaalsContact O-N 3.13Å |
| 520 | E | 93.2 | Very high | 91 | Very high | 13 Ų | 13 | 52.4 Ų | 52.4 | 6% | 0.061 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -12.3 | 179 | -64.5 | -179.9 | 156.7 | 0 | 0 | 114.8 | F443 S446 L516 T517 S531 K535 | F443-E520 WeakPolarHBondContact CD2-OE1 3.42Å; S446-E520 VanDerWaalsContact CB-OE1 3.23Å; S446-E520 WeakPolarHBondContact CB-OE1 3.38Å; S446-E520 PolarHBondContact OG-OE1 2.7Å; L516-E520 PolarHBondContact O-N 3.43Å; T517-E520 PolarHBondContact O-N 2.69Å; E520-S531 PolarHBondContact OE2-OG 3.06Å; E520-K535 WeakPolarHBondContact OE1-CE 3.3Å; E520-K535 IonicContact OE1-NZ 3.94Å; E520-K535 PolarHBondContact OE1-NZ 3.08Å; E520-K535 IonicContact OE2-NZ 3.05Å; E520-K535 PolarHBondContact OE2-NZ 3.44Å |
| 521 | R | 91.5 | Very high | 91.2 | Very high | 51 Ų | 51 | 51.9 Ų | 51.9 | 19% | 0.192 | 24% | 0.238 | C | C | . | . | trans | 51.1 | 61.6 | 179.9 | -43 | -171 | -172.6 | -178 | -1.2 | 113.4 | Y414 K417 I434 R439 Y442 M519 | Y414-R521 WeakPolarHBondContact CD2-O 3.19Å; Y414-R521 WeakPolarHBondContact CE2-O 3.49Å; K417-R521 HydrophobicContact CD-CG 4.23Å; I434-R521 HydrophobicContact CD1-CB 3.84Å; I434-R521 HydrophobicContact CD1-CG 4.35Å; R439-R521 PolarHBondContact NE-O 3.16Å; Y442-R521 PolarHBondContact OH-NH2 3.1Å; M519-R521 VanDerWaalsContact O-CG 3.26Å; M519-R521 WeakPolarHBondContact O-CG 3.25Å; M519-R521 PolarHBondContact O-N 2.94Å; M519-R521 VanDerWaalsContact O-N 3.13Å | ||
| 522 | P | 92 | Very high | 91.3 | Very high | 7 Ų | 7 | 46.1 Ų | 46.1 | 5% | 0.045 | 21% | 0.208 | C | C | . | . | trans | -65.5 | 142.9 | 173.4 | 24.1 | -30.2 | 0 | 0 | 0 | 111.8 | Y414 T517 Q527 Y528 | Y414-P522 WeakPolarHBondContact CD2-O 3.46Å; T517-P522 WeakPolarHBondContact O-CD 3.44Å; P522-Q527 HydrophobicContact CB-CB 3.95Å; P522-Y528 VanDerWaalsContact CG-CB 3.49Å; P522-Y528 HydrophobicContact CG-CD2 3.58Å; P522-Y528 HydrophobicContact CG-CG 4.02Å | ||
| 523 | K | 88.6 | Confident | 91.3 | Very high | 35 Ų | 35 | 43.9 Ų | 43.9 | 15% | 0.152 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -75.3 | -48.7 | -174.9 | -177.3 | -179.2 | 177.3 | -177.1 | 0 | 112.1 | I410 R411 Y414 E431 | I410-K523 HydrophobicContact CG2-CG 4.18Å; R411-K523 PolarHBondContact N-O 2.8Å; Y414-K523 HydrophobicContact CD1-CG 4.15Å; Y414-K523 HydrophobicContact CD2-CB 4.17Å; Y414-K523 HydrophobicContact CE1-CB 4.38Å; Y414-K523 HydrophobicContact CE1-CG 3.98Å; Y414-K523 HydrophobicContact CE2-CB 4.01Å; Y414-K523 HydrophobicContact CE2-CG 4.49Å; Y414-K523 HydrophobicContact CG-CB 4.41Å; Y414-K523 HydrophobicContact CG-CG 4.49Å; E431-K523 IonicContact OE1-NZ 3.3Å; E431-K523 PolarHBondContact OE1-NZ 3.01Å; E431-K523 IonicContact OE2-NZ 3.82Å; E431-K523 PolarHBondContact OE2-NZ 3.48Å |
| 524 | T | 87.6 | Confident | 91.3 | Very high | 13 Ų | 13 | 47.7 Ų | 47.7 | 8% | 0.08 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -108.5 | 159.6 | -178.3 | 71.1 | 0 | 0 | 0 | 0 | 111.1 | E408 K526 Q527 Y528 | E408-T524 HydrophobicContact CB-CG2 4.05Å; E408-T524 WeakPolarHBondContact OE2-CB 3.45Å; E408-T524 PolarHBondContact OE2-OG1 3.35Å; T524-K526 VanDerWaalsContact C-N 3.29Å; T524-K526 PolarHBondContact O-N 3.45Å; T524-Q527 PolarHBondContact O-N 3.32Å; T524-Q527 WeakPolarHBondContact OG1-CG 3.36Å; T524-Q527 PolarHBondContact OG1-N 3.34Å; T524-Y528 PolarHBondContact O-N 3.25Å; T524-Y528 VanDerWaalsContact O-N 3.09Å |
| 525 | E | 84.3 | Confident | 91.6 | Very high | 89 Ų | 89 | 45 Ų | 45 | 42% | 0.416 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.7 | -39.2 | 177.5 | -153.8 | -164.5 | 149.3 | 0 | 0 | 111.6 | Q527 Y528 W529 | E525-Q527 PolarHBondContact O-N 2.83Å; E525-Y528 WeakPolarHBondContact O-CB 3.48Å; E525-Y528 PolarHBondContact O-N 3.43Å; E525-W529 PolarHBondContact O-N 3.47Å; E525-W529 PolarHBondContact OE1-NE1 3.04Å |
| 526 | K | 86.6 | Confident | 91.7 | Very high | 103 Ų | 103 | 36.5 Ų | 36.5 | 45% | 0.448 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60 | -45.4 | 174.6 | -175.3 | -176.2 | -179.4 | -178.5 | 0 | 112.4 | E408 T524 Y528 W529 F530 | E408-K526 WeakPolarHBondContact OE1-CD 3.41Å; E408-K526 IonicContact OE1-NZ 3.57Å; E408-K526 PolarHBondContact OE1-NZ 2.88Å; E408-K526 WeakPolarHBondContact OE2-CB 3.22Å; T524-K526 VanDerWaalsContact C-N 3.29Å; T524-K526 PolarHBondContact O-N 3.45Å; K526-Y528 VanDerWaalsContact C-N 3.29Å; K526-Y528 PolarHBondContact O-N 3.46Å; K526-W529 PolarHBondContact O-N 3.11Å; K526-F530 HydrophobicContact CD-CE1 4.48Å; K526-F530 HydrophobicContact CD-CE2 4.41Å; K526-F530 HydrophobicContact CD-CZ 4.13Å; K526-F530 VanDerWaalsContact CE-CZ 3.43Å; K526-F530 HydrophobicContact CG-CD1 3.94Å; K526-F530 HydrophobicContact CG-CD2 4.38Å; K526-F530 HydrophobicContact CG-CE1 3.63Å; K526-F530 HydrophobicContact CG-CE2 4.11Å; K526-F530 HydrophobicContact CG-CG 4.31Å; K526-F530 HydrophobicContact CG-CZ 3.73Å; K526-F530 VanDerWaalsContact O-CB 3.31Å; K526-F530 WeakPolarHBondContact O-CB 3.38Å; K526-F530 VanDerWaalsContact O-CD1 3.26Å; K526-F530 WeakPolarHBondContact O-CD1 3.47Å; K526-F530 VanDerWaalsContact O-CG 3.31Å; K526-F530 WeakPolarHBondContact O-CG 3.45Å; K526-F530 PolarHBondContact O-N 2.9Å |
| 527 | Q | 90.3 | Very high | 91.7 | Very high | 84 Ų | 84 | 36.1 Ų | 36.1 | 39% | 0.393 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.5 | -39.1 | 176 | -74.8 | -178.2 | 2.1 | 0 | 0 | 111.9 | P522 T524 E525 S531 | P522-Q527 HydrophobicContact CB-CB 3.95Å; T524-Q527 PolarHBondContact O-N 3.32Å; T524-Q527 WeakPolarHBondContact OG1-CG 3.36Å; T524-Q527 PolarHBondContact OG1-N 3.34Å; E525-Q527 PolarHBondContact O-N 2.83Å; Q527-S531 VanDerWaalsContact O-CB 3.32Å; Q527-S531 WeakPolarHBondContact O-CB 3.41Å; Q527-S531 PolarHBondContact O-N 3.25Å |
| 528 | Y | 91.9 | Very high | 91.8 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.8 | -54.4 | 174.9 | 174.1 | -95.9 | 0 | 0 | 0 | 111 | H514 T517 T518 P522 T524 E525 K526 F530 S531 F532 | H514-Y528 PolarHBondContact CE1-OH 3.03Å; H514-Y528 PolarHBondContact ND1-OH 2.87Å; T517-Y528 HydrophobicContact CG2-CD2 3.66Å; T517-Y528 HydrophobicContact CG2-CE2 3.63Å; T517-Y528 HydrophobicContact CG2-CG 4.43Å; T518-Y528 HydrophobicContact CG2-CE2 3.82Å; P522-Y528 VanDerWaalsContact CG-CB 3.49Å; P522-Y528 HydrophobicContact CG-CD2 3.58Å; P522-Y528 HydrophobicContact CG-CG 4.02Å; T524-Y528 PolarHBondContact O-N 3.25Å; T524-Y528 VanDerWaalsContact O-N 3.09Å; E525-Y528 WeakPolarHBondContact O-CB 3.48Å; E525-Y528 PolarHBondContact O-N 3.43Å; K526-Y528 VanDerWaalsContact C-N 3.29Å; K526-Y528 PolarHBondContact O-N 3.46Å; Y528-F530 VanDerWaalsContact C-N 3.34Å; Y528-F530 PolarHBondContact O-N 3.07Å; Y528-S531 PolarHBondContact O-N 3.5Å; Y528-F532 WeakPolarHBondContact O-CB 3.29Å; Y528-F532 PolarHBondContact O-N 3.36Å |
| 529 | W | 90.6 | Very high | 92 | Very high | 47 Ų | 47 | 37.3 Ų | 37.3 | 18% | 0.178 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.8 | -42.2 | 179.7 | -78.6 | 114.2 | 0 | 0 | 0 | 112.2 | E525 K526 S531 F532 L533 Y641 V645 | E525-W529 PolarHBondContact O-N 3.47Å; E525-W529 PolarHBondContact OE1-NE1 3.04Å; K526-W529 PolarHBondContact O-N 3.11Å; W529-S531 PolarHBondContact O-N 2.94Å; W529-F532 AromaticContact CE3-CD1 3.98Å; W529-F532 HydrophobicContact CE3-CD1 3.98Å; W529-F532 HydrophobicContact CZ3-CD1 4.04Å; W529-F532 HydrophobicContact CZ3-CE1 4.17Å; W529-F532 PolarHBondContact O-N 3.35Å; W529-L533 WeakPolarHBondContact O-CB 3.49Å; W529-L533 WeakPolarHBondContact O-CG 3.44Å; W529-L533 PolarHBondContact O-N 3.39Å; W529-Y641 AromaticContact CH2-CD1 3.47Å; W529-Y641 HydrophobicContact CH2-CD1 3.47Å; W529-Y641 VanDerWaalsContact CH2-CD1 3.47Å; W529-Y641 HydrophobicContact CH2-CE1 4.27Å; W529-Y641 AromaticContact CH2-CG 3.94Å; W529-Y641 HydrophobicContact CH2-CG 3.94Å; W529-Y641 AromaticContact CZ3-CD1 3.94Å; W529-Y641 HydrophobicContact CZ3-CD1 3.94Å; W529-Y641 HydrophobicContact CZ3-CG 4.19Å; W529-V645 HydrophobicContact CZ3-CG2 4.1Å |
| 530 | F | 92.7 | Very high | 92.1 | Very high | 72 Ų | 72 | 35.7 Ų | 35.7 | 32% | 0.316 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63.9 | -44.1 | 179.5 | -78.6 | 20.9 | 0 | 0 | 0 | 111.3 | K526 Y528 W534 I703 | K526-F530 HydrophobicContact CD-CE1 4.48Å; K526-F530 HydrophobicContact CD-CE2 4.41Å; K526-F530 HydrophobicContact CD-CZ 4.13Å; K526-F530 VanDerWaalsContact CE-CZ 3.43Å; K526-F530 HydrophobicContact CG-CD1 3.94Å; K526-F530 HydrophobicContact CG-CD2 4.38Å; K526-F530 HydrophobicContact CG-CE1 3.63Å; K526-F530 HydrophobicContact CG-CE2 4.11Å; K526-F530 HydrophobicContact CG-CG 4.31Å; K526-F530 HydrophobicContact CG-CZ 3.73Å; K526-F530 VanDerWaalsContact O-CB 3.31Å; K526-F530 WeakPolarHBondContact O-CB 3.38Å; K526-F530 VanDerWaalsContact O-CD1 3.26Å; K526-F530 WeakPolarHBondContact O-CD1 3.47Å; K526-F530 VanDerWaalsContact O-CG 3.31Å; K526-F530 WeakPolarHBondContact O-CG 3.45Å; K526-F530 PolarHBondContact O-N 2.9Å; Y528-F530 VanDerWaalsContact C-N 3.34Å; Y528-F530 PolarHBondContact O-N 3.07Å; F530-W534 WeakPolarHBondContact O-CB 3.41Å; F530-W534 VanDerWaalsContact O-CD1 3.25Å; F530-W534 PolarHBondContact O-N 3.23Å; F530-I703 HydrophobicContact CB-CD1 3.86Å; F530-I703 HydrophobicContact CD1-CB 4.03Å; F530-I703 HydrophobicContact CD1-CD1 4Å; F530-I703 HydrophobicContact CD1-CG2 4.29Å; F530-I703 HydrophobicContact CD2-CD1 4.27Å; F530-I703 HydrophobicContact CE1-CB 3.82Å; F530-I703 HydrophobicContact CE1-CG2 4.2Å; F530-I703 HydrophobicContact CG-CB 4.47Å; F530-I703 HydrophobicContact CG-CD1 3.8Å; F530-I703 HydrophobicContact CZ-CB 4.08Å |
| 531 | S | 93.7 | Very high | 92.2 | Very high | 23 Ų | 23 | 35.9 Ų | 35.9 | 16% | 0.161 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.2 | -40.6 | 177.9 | -168 | 0 | 0 | 0 | 0 | 112.5 | E520 Q527 Y528 W529 K535 | E520-S531 PolarHBondContact OE2-OG 3.06Å; Q527-S531 VanDerWaalsContact O-CB 3.32Å; Q527-S531 WeakPolarHBondContact O-CB 3.41Å; Q527-S531 PolarHBondContact O-N 3.25Å; Y528-S531 PolarHBondContact O-N 3.5Å; W529-S531 PolarHBondContact O-N 2.94Å; S531-K535 WeakPolarHBondContact O-CG 3.43Å; S531-K535 PolarHBondContact O-N 3.38Å; S531-K535 PolarHBondContact O-NZ 2.91Å; S531-K535 PolarHBondContact OG-NZ 3.49Å |
| 532 | F | 93.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.1 | -51 | 175.5 | 173.8 | -108 | 0 | 0 | 0 | 111.4 | C513 H514 T517 Y528 W529 K535 L536 Y641 | C513-F532 HydrophobicContact CB-CD2 4.48Å; C513-F532 HydrophobicContact CB-CE2 4.18Å; H514-F532 HydrophobicContact CB-CE2 4.4Å; T517-F532 HydrophobicContact CG2-CB 3.94Å; Y528-F532 WeakPolarHBondContact O-CB 3.29Å; Y528-F532 PolarHBondContact O-N 3.36Å; W529-F532 AromaticContact CE3-CD1 3.98Å; W529-F532 HydrophobicContact CE3-CD1 3.98Å; W529-F532 HydrophobicContact CZ3-CD1 4.04Å; W529-F532 HydrophobicContact CZ3-CE1 4.17Å; W529-F532 PolarHBondContact O-N 3.35Å; F532-K535 PolarHBondContact O-N 3.39Å; F532-L536 HydrophobicContact CE1-CD2 4.25Å; F532-L536 HydrophobicContact CZ-CD2 4.16Å; F532-L536 WeakPolarHBondContact O-CB 3.37Å; F532-L536 PolarHBondContact O-N 3Å; F532-Y641 HydrophobicContact CE1-CE2 4.37Å; F532-Y641 HydrophobicContact CZ-CE2 4.21Å; F532-Y641 AromaticContact CZ-CZ 3.88Å |
| 533 | L | 94.2 | Very high | 92.5 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65 | -40.9 | -177.5 | -70.9 | 173.2 | 0 | 0 | 0 | 112.1 | W529 K535 L536 F537 V645 I703 W704 F707 | W529-L533 WeakPolarHBondContact O-CB 3.49Å; W529-L533 WeakPolarHBondContact O-CG 3.44Å; W529-L533 PolarHBondContact O-N 3.39Å; L533-K535 PolarHBondContact O-N 2.82Å; L533-L536 PolarHBondContact O-N 3.47Å; L533-F537 WeakPolarHBondContact O-CB 3.43Å; L533-F537 PolarHBondContact O-N 2.88Å; L533-V645 HydrophobicContact CD2-CG1 3.46Å; L533-V645 VanDerWaalsContact CD2-CG1 3.46Å; L533-I703 HydrophobicContact CB-CD1 4.34Å; L533-I703 HydrophobicContact CD1-CG2 3.6Å; L533-W704 HydrophobicContact CD1-CZ2 4.24Å; L533-W704 HydrophobicContact CD2-CH2 3.89Å; L533-W704 HydrophobicContact CD2-CZ2 3.79Å; L533-F707 HydrophobicContact CB-CE2 4.05Å; L533-F707 HydrophobicContact CB-CZ 3.91Å |
| 534 | W | 94.3 | Very high | 92.7 | Very high | 81 Ų | 81 | 34.9 Ų | 34.9 | 31% | 0.307 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -58.9 | -46.2 | 176.1 | -96.2 | 115.7 | 0 | 0 | 0 | 112.1 | F530 F537 V538 I703 T706 F707 W710 | F530-W534 WeakPolarHBondContact O-CB 3.41Å; F530-W534 VanDerWaalsContact O-CD1 3.25Å; F530-W534 PolarHBondContact O-N 3.23Å; W534-F537 HydrophobicContact CE3-CD1 4.35Å; W534-F537 HydrophobicContact CZ3-CD1 4.22Å; W534-F537 HydrophobicContact CZ3-CE1 4.42Å; W534-V538 HydrophobicContact CE3-CG2 4.13Å; W534-V538 WeakPolarHBondContact O-CB 3.29Å; W534-V538 VanDerWaalsContact O-CG2 3.29Å; W534-V538 WeakPolarHBondContact O-CG2 3.45Å; W534-V538 PolarHBondContact O-N 3.42Å; W534-I703 HydrophobicContact CG-CD1 4.25Å; W534-T706 HydrophobicContact CH2-CG2 4.19Å; W534-T706 HydrophobicContact CZ2-CG2 3.76Å; W534-F707 HydrophobicContact CD2-CD1 4.29Å; W534-F707 AromaticContact CD2-CE1 3.42Å; W534-F707 HydrophobicContact CD2-CE1 3.42Å; W534-F707 VanDerWaalsContact CD2-CE1 3.42Å; W534-F707 HydrophobicContact CD2-CZ 4.23Å; W534-F707 AromaticContact CE2-CE1 3.55Å; W534-F707 HydrophobicContact CE3-CD1 4.11Å; W534-F707 AromaticContact CE3-CE1 3.55Å; W534-F707 HydrophobicContact CE3-CE1 3.55Å; W534-F707 HydrophobicContact CE3-CZ 4.46Å; W534-F707 AromaticContact CG-CE1 3.92Å; W534-F707 HydrophobicContact CG-CE1 3.92Å; W534-F707 HydrophobicContact CG-CZ 4.3Å; W534-F707 AromaticContact CH2-CD1 3.8Å; W534-F707 HydrophobicContact CH2-CD1 3.8Å; W534-F707 AromaticContact CH2-CE1 3.91Å; W534-F707 HydrophobicContact CH2-CE1 3.91Å; W534-F707 AromaticContact CZ2-CD1 4Å; W534-F707 HydrophobicContact CZ2-CD1 4Å; W534-F707 AromaticContact CZ2-CE1 3.81Å; W534-F707 HydrophobicContact CZ2-CE1 3.81Å; W534-F707 AromaticContact CZ3-CD1 3.86Å; W534-F707 HydrophobicContact CZ3-CD1 3.86Å; W534-F707 AromaticContact CZ3-CE1 3.79Å; W534-F707 HydrophobicContact CZ3-CE1 3.79Å; W534-W710 AromaticContact CH2-CD1 3.74Å; W534-W710 HydrophobicContact CH2-CD2 4.24Å; W534-W710 AromaticContact CH2-CE2 3.98Å; W534-W710 HydrophobicContact CH2-CG 4.07Å; W534-W710 AromaticContact CH2-NE1 3.63Å |
| 535 | K | 94.9 | Very high | 93 | Very high | 24 Ų | 24 | 34.3 Ų | 34.3 | 10% | 0.104 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.1 | -48.9 | 178.9 | -75.6 | 177.1 | -174.7 | 62 | 0 | 111.7 | S446 T450 Y509 E520 S531 F532 L533 F539 | S446-K535 WeakPolarHBondContact OG-CE 3.36Å; T450-K535 HydrophobicContact CG2-CD 4.18Å; T450-K535 HydrophobicContact CG2-CG 4.25Å; Y509-K535 WeakPolarHBondContact OH-CB 3.45Å; Y509-K535 PolarHBondContact OH-O 3.47Å; E520-K535 WeakPolarHBondContact OE1-CE 3.3Å; E520-K535 IonicContact OE1-NZ 3.94Å; E520-K535 PolarHBondContact OE1-NZ 3.08Å; E520-K535 IonicContact OE2-NZ 3.05Å; E520-K535 PolarHBondContact OE2-NZ 3.44Å; S531-K535 WeakPolarHBondContact O-CG 3.43Å; S531-K535 PolarHBondContact O-N 3.38Å; S531-K535 PolarHBondContact O-NZ 2.91Å; S531-K535 PolarHBondContact OG-NZ 3.49Å; F532-K535 PolarHBondContact O-N 3.39Å; L533-K535 PolarHBondContact O-N 2.82Å; K535-F539 WeakPolarHBondContact O-CB 3.39Å; K535-F539 PolarHBondContact O-N 3.36Å |
| 536 | L | 94.1 | Very high | 93.5 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.7 | -47.6 | -179.9 | -169 | 65.3 | 0 | 0 | 0 | 111.1 | Y509 N510 F532 L533 F539 E540 M649 | Y509-L536 HydrophobicContact CD1-CD1 4.14Å; Y509-L536 HydrophobicContact CE1-CD1 4.46Å; N510-L536 HydrophobicContact CB-CD1 4.21Å; F532-L536 HydrophobicContact CE1-CD2 4.25Å; F532-L536 HydrophobicContact CZ-CD2 4.16Å; F532-L536 WeakPolarHBondContact O-CB 3.37Å; F532-L536 PolarHBondContact O-N 3Å; L533-L536 PolarHBondContact O-N 3.47Å; L536-F539 PolarHBondContact O-N 3.05Å; L536-E540 HydrophobicContact CD1-CG 4.34Å; L536-E540 WeakPolarHBondContact CD1-OE1 3.17Å; L536-E540 HydrophobicContact CG-CG 4.46Å; L536-E540 WeakPolarHBondContact CG-OE1 3.42Å; L536-E540 WeakPolarHBondContact O-CB 3.4Å; L536-E540 WeakPolarHBondContact O-CG 3.38Å; L536-E540 PolarHBondContact O-N 3.45Å; L536-M649 HydrophobicContact CB-CE 3.97Å; L536-M649 HydrophobicContact CD2-CE 3.75Å; L536-M649 HydrophobicContact CG-CE 3.76Å |
| 537 | F | 95.2 | Very high | 93.7 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 2% | 0.022 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.9 | -49.7 | 178.8 | 170.4 | -111.9 | 0 | 0 | 0 | 112.8 | L533 W534 F539 E540 L541 M649 I652 F707 V711 | L533-F537 WeakPolarHBondContact O-CB 3.43Å; L533-F537 PolarHBondContact O-N 2.88Å; W534-F537 HydrophobicContact CE3-CD1 4.35Å; W534-F537 HydrophobicContact CZ3-CD1 4.22Å; W534-F537 HydrophobicContact CZ3-CE1 4.42Å; F537-F539 VanDerWaalsContact C-N 3.3Å; F537-F539 PolarHBondContact O-N 3.1Å; F537-E540 PolarHBondContact O-N 2.92Å; F537-L541 HydrophobicContact CE1-CD2 4.44Å; F537-L541 HydrophobicContact CE2-CB 4.45Å; F537-L541 HydrophobicContact CE2-CD1 4.46Å; F537-L541 HydrophobicContact CE2-CD2 4.45Å; F537-L541 HydrophobicContact CZ-CD2 3.96Å; F537-L541 WeakPolarHBondContact O-CB 3.32Å; F537-L541 PolarHBondContact O-N 3.25Å; F537-M649 HydrophobicContact CB-CE 4.06Å; F537-M649 HydrophobicContact CB-SD 4.22Å; F537-M649 HydrophobicContact CD2-SD 4.21Å; F537-I652 HydrophobicContact CD2-CD1 4.23Å; F537-I652 HydrophobicContact CD2-CG2 4.13Å; F537-I652 HydrophobicContact CE2-CD1 3.65Å; F537-I652 HydrophobicContact CE2-CG1 4.01Å; F537-I652 HydrophobicContact CE2-CG2 4.17Å; F537-I652 HydrophobicContact CZ-CD1 4.14Å; F537-F707 HydrophobicContact CB-CD2 4.11Å; F537-F707 HydrophobicContact CB-CE1 4.48Å; F537-F707 HydrophobicContact CB-CE2 3.81Å; F537-F707 HydrophobicContact CB-CZ 4.01Å; F537-F707 HydrophobicContact CD1-CB 4.3Å; F537-F707 AromaticContact CD1-CD1 3.77Å; F537-F707 HydrophobicContact CD1-CD1 3.77Å; F537-F707 HydrophobicContact CD1-CD2 4.22Å; F537-F707 HydrophobicContact CD1-CE1 4.07Å; F537-F707 HydrophobicContact CD1-CE2 4.49Å; F537-F707 AromaticContact CD1-CG 3.87Å; F537-F707 HydrophobicContact CD1-CG 3.87Å; F537-F707 HydrophobicContact CD1-CZ 4.42Å; F537-F707 HydrophobicContact CD2-CB 4.48Å; F537-F707 HydrophobicContact CD2-CD2 4.18Å; F537-F707 HydrophobicContact CD2-CG 4.37Å; F537-F707 HydrophobicContact CE1-CB 4.07Å; F537-F707 HydrophobicContact CE1-CD1 4.11Å; F537-F707 HydrophobicContact CE1-CG 4.12Å; F537-F707 HydrophobicContact CE2-CB 4.26Å; F537-F707 HydrophobicContact CG-CD1 4.28Å; F537-F707 AromaticContact CG-CD2 3.89Å; F537-F707 HydrophobicContact CG-CD2 3.89Å; F537-F707 HydrophobicContact CG-CE1 4.45Å; F537-F707 HydrophobicContact CG-CE2 4.09Å; F537-F707 HydrophobicContact CG-CG 4.01Å; F537-F707 HydrophobicContact CG-CZ 4.37Å; F537-F707 HydrophobicContact CZ-CB 4.05Å; F537-F707 HydrophobicContact CZ-CG 4.48Å; F537-V711 HydrophobicContact CE2-CG2 4.19Å; F537-V711 HydrophobicContact CZ-CG2 3.77Å |
| 538 | V | 95.3 | Very high | 93.9 | Very high | 54 Ų | 54 | 22.7 Ų | 22.7 | 33% | 0.327 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -63 | -40.1 | -179.9 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | L454 W534 L542 | L454-V538 HydrophobicContact CD1-CG1 4.37Å; W534-V538 HydrophobicContact CE3-CG2 4.13Å; W534-V538 WeakPolarHBondContact O-CB 3.29Å; W534-V538 VanDerWaalsContact O-CG2 3.29Å; W534-V538 WeakPolarHBondContact O-CG2 3.45Å; W534-V538 PolarHBondContact O-N 3.42Å; V538-L542 HydrophobicContact CG1-CD1 3.93Å; V538-L542 WeakPolarHBondContact O-CB 3.29Å; V538-L542 WeakPolarHBondContact O-CG 3.45Å; V538-L542 PolarHBondContact O-N 2.95Å; V538-L542 VanDerWaalsContact O-N 3.11Å |
| 539 | F | 96.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.4 | -54.8 | 177.5 | -174.5 | -88.6 | 0 | 0 | 0 | 111.9 | M453 L454 Y505 Y509 K535 L536 F537 L541 L542 N543 | M453-F539 HydrophobicContact CB-CD2 4.41Å; M453-F539 HydrophobicContact CB-CE2 3.79Å; L454-F539 HydrophobicContact CD2-CD2 3.72Å; L454-F539 HydrophobicContact CD2-CE2 4.23Å; L454-F539 HydrophobicContact CD2-CG 4.39Å; L454-F539 HydrophobicContact CG-CD2 3.9Å; L454-F539 HydrophobicContact CG-CE2 4.41Å; Y505-F539 HydrophobicContact CD1-CZ 4.17Å; Y509-F539 HydrophobicContact CD1-CB 3.55Å; Y509-F539 AromaticContact CD1-CD1 3.5Å; Y509-F539 HydrophobicContact CD1-CD1 3.5Å; Y509-F539 HydrophobicContact CD1-CD2 4.07Å; Y509-F539 HydrophobicContact CD1-CE1 4.25Å; Y509-F539 AromaticContact CD1-CG 3.4Å; Y509-F539 HydrophobicContact CD1-CG 3.4Å; Y509-F539 HydrophobicContact CD2-CB 4.34Å; Y509-F539 HydrophobicContact CD2-CD1 4.1Å; Y509-F539 AromaticContact CD2-CD2 3.4Å; Y509-F539 HydrophobicContact CD2-CD2 3.4Å; Y509-F539 HydrophobicContact CD2-CE1 4.3Å; Y509-F539 AromaticContact CD2-CE2 3.65Å; Y509-F539 HydrophobicContact CD2-CE2 3.65Å; Y509-F539 AromaticContact CD2-CG 3.65Å; Y509-F539 HydrophobicContact CD2-CG 3.65Å; Y509-F539 HydrophobicContact CD2-CZ 4.09Å; Y509-F539 HydrophobicContact CE1-CB 3.29Å; Y509-F539 HydrophobicContact CE1-CD1 4.19Å; Y509-F539 HydrophobicContact CE1-CD2 4.22Å; Y509-F539 AromaticContact CE1-CG 3.63Å; Y509-F539 HydrophobicContact CE1-CG 3.63Å; Y509-F539 HydrophobicContact CE2-CB 4.11Å; Y509-F539 AromaticContact CE2-CD2 3.54Å; Y509-F539 HydrophobicContact CE2-CD2 3.54Å; Y509-F539 HydrophobicContact CE2-CE2 4.18Å; Y509-F539 AromaticContact CE2-CG 3.85Å; Y509-F539 HydrophobicContact CE2-CG 3.85Å; Y509-F539 HydrophobicContact CG-CB 4.05Å; Y509-F539 AromaticContact CG-CD1 3.43Å; Y509-F539 HydrophobicContact CG-CD1 3.43Å; Y509-F539 VanDerWaalsContact CG-CD1 3.43Å; Y509-F539 AromaticContact CG-CD2 3.65Å; Y509-F539 HydrophobicContact CG-CD2 3.65Å; Y509-F539 AromaticContact CG-CE1 3.73Å; Y509-F539 HydrophobicContact CG-CE1 3.73Å; Y509-F539 AromaticContact CG-CE2 3.94Å; Y509-F539 HydrophobicContact CG-CE2 3.94Å; Y509-F539 AromaticContact CG-CG 3.39Å; Y509-F539 HydrophobicContact CG-CG 3.39Å; Y509-F539 AromaticContact CG-CZ 3.98Å; Y509-F539 HydrophobicContact CG-CZ 3.98Å; Y509-F539 AromaticContact CZ-CD2 3.94Å; Y509-F539 AromaticContact CZ-CG 3.82Å; K535-F539 WeakPolarHBondContact O-CB 3.39Å; K535-F539 PolarHBondContact O-N 3.36Å; L536-F539 PolarHBondContact O-N 3.05Å; F537-F539 VanDerWaalsContact C-N 3.3Å; F537-F539 PolarHBondContact O-N 3.1Å; F539-L541 VanDerWaalsContact C-N 3.33Å; F539-L541 PolarHBondContact O-N 3.03Å; F539-L542 PolarHBondContact O-N 3.41Å; F539-N543 HydrophobicContact CD1-CB 4.34Å; F539-N543 HydrophobicContact CE1-CB 4.04Å; F539-N543 HydrophobicContact CZ-CB 4.42Å; F539-N543 WeakPolarHBondContact O-CB 3.4Å; F539-N543 PolarHBondContact O-N 3.37Å |
| 540 | E | 94.1 | Very high | 94 | Very high | 21 Ų | 21 | 22.7 Ų | 22.7 | 10% | 0.098 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61 | -41.3 | -178.4 | -72.1 | -172.7 | -157.4 | 0 | 0 | 111.8 | L536 F537 E544 R592 M649 I653 | L536-E540 HydrophobicContact CD1-CG 4.34Å; L536-E540 WeakPolarHBondContact CD1-OE1 3.17Å; L536-E540 HydrophobicContact CG-CG 4.46Å; L536-E540 WeakPolarHBondContact CG-OE1 3.42Å; L536-E540 WeakPolarHBondContact O-CB 3.4Å; L536-E540 WeakPolarHBondContact O-CG 3.38Å; L536-E540 PolarHBondContact O-N 3.45Å; F537-E540 PolarHBondContact O-N 2.92Å; E540-E544 VanDerWaalsContact O-CB 3.29Å; E540-E544 WeakPolarHBondContact O-CB 3.46Å; E540-E544 PolarHBondContact O-N 3.36Å; E540-E544 VanDerWaalsContact O-N 3.07Å; E540-R592 IonicContact OE2-NH2 3.11Å; E540-M649 WeakPolarHBondContact OE2-CG 3.23Å; E540-I653 HydrophobicContact CB-CD1 4.45Å |
| 541 | L | 94.6 | Very high | 93.8 | Very high | 17 Ų | 17 | 19.8 Ų | 19.8 | 9% | 0.089 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.6 | -51.7 | 177 | -173 | 76.8 | 0 | 0 | 0 | 111.2 | F537 F539 F545 I653 A656 I714 | F537-L541 HydrophobicContact CE1-CD2 4.44Å; F537-L541 HydrophobicContact CE2-CB 4.45Å; F537-L541 HydrophobicContact CE2-CD1 4.46Å; F537-L541 HydrophobicContact CE2-CD2 4.45Å; F537-L541 HydrophobicContact CZ-CD2 3.96Å; F537-L541 WeakPolarHBondContact O-CB 3.32Å; F537-L541 PolarHBondContact O-N 3.25Å; F539-L541 VanDerWaalsContact C-N 3.33Å; F539-L541 PolarHBondContact O-N 3.03Å; L541-F545 HydrophobicContact CD1-CD2 3.66Å; L541-F545 HydrophobicContact CD1-CE2 3.62Å; L541-F545 HydrophobicContact CG-CD2 4.13Å; L541-F545 WeakPolarHBondContact O-CB 3.43Å; L541-F545 VanDerWaalsContact O-CD2 3.26Å; L541-F545 WeakPolarHBondContact O-CD2 3.38Å; L541-F545 PolarHBondContact O-N 2.74Å; L541-I653 HydrophobicContact CB-CD1 4.19Å; L541-I653 HydrophobicContact CD1-CD1 3.97Å; L541-A656 HydrophobicContact CD1-CB 3.92Å; L541-I714 HydrophobicContact CD2-CD1 3.89Å |
| 542 | L | 95.1 | Very high | 93.6 | Very high | 67 Ų | 67 | 19.1 Ų | 19.1 | 35% | 0.351 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -69.9 | -39.6 | -178.3 | -68.7 | 176.4 | 0 | 0 | 0 | 112 | L454 V538 F539 E544 F545 T546 | L454-L542 HydrophobicContact CD1-CD1 3.93Å; L454-L542 HydrophobicContact CD2-CB 3.66Å; L454-L542 HydrophobicContact CD2-CD1 3.84Å; L454-L542 HydrophobicContact CD2-CG 4.38Å; V538-L542 HydrophobicContact CG1-CD1 3.93Å; V538-L542 WeakPolarHBondContact O-CB 3.29Å; V538-L542 WeakPolarHBondContact O-CG 3.45Å; V538-L542 PolarHBondContact O-N 2.95Å; V538-L542 VanDerWaalsContact O-N 3.11Å; F539-L542 PolarHBondContact O-N 3.41Å; L542-E544 VanDerWaalsContact C-N 3.32Å; L542-E544 PolarHBondContact O-N 3.34Å; L542-F545 PolarHBondContact O-N 3.36Å; L542-T546 WeakPolarHBondContact O-CB 3.47Å; L542-T546 PolarHBondContact O-N 3.2Å; L542-T546 PolarHBondContact O-OG1 2.82Å |
| 543 | N | 94.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.011 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.4 | -43.5 | 178.7 | -172.1 | 43.7 | 0 | 0 | 0 | 111.2 | L461 V502 D506 F539 | L461-N543 WeakPolarHBondContact CD1-O 3.43Å; V502-N543 PolarHBondContact O-ND2 3.31Å; D506-N543 PolarHBondContact OD1-ND2 3.48Å; F539-N543 HydrophobicContact CD1-CB 4.34Å; F539-N543 HydrophobicContact CE1-CB 4.04Å; F539-N543 HydrophobicContact CZ-CB 4.42Å; F539-N543 WeakPolarHBondContact O-CB 3.4Å; F539-N543 PolarHBondContact O-N 3.37Å |
| 544 | E | 92.9 | Very high | 93.1 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.009 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -72.3 | -44.7 | 178.4 | -171.2 | 79.1 | -132.6 | 0 | 0 | 112.7 | E540 L542 P547 R592 I653 F657 | E540-E544 VanDerWaalsContact O-CB 3.29Å; E540-E544 WeakPolarHBondContact O-CB 3.46Å; E540-E544 PolarHBondContact O-N 3.36Å; E540-E544 VanDerWaalsContact O-N 3.07Å; L542-E544 VanDerWaalsContact C-N 3.32Å; L542-E544 PolarHBondContact O-N 3.34Å; E544-P547 WeakPolarHBondContact O-CD 3.36Å; E544-P547 WeakPolarHBondContact O-CG 3.2Å; E544-R592 IonicContact OE2-CZ 3.9Å; E544-R592 IonicContact OE2-NH1 2.59Å; E544-R592 PolarHBondContact OE2-NH1 2.87Å; E544-I653 HydrophobicContact CG-CG2 4.49Å; E544-F657 HydrophobicContact CG-CE2 3.83Å; E544-F657 HydrophobicContact CG-CZ 3.46Å; E544-F657 VanDerWaalsContact CG-CZ 3.46Å |
| 545 | F | 93.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.009 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -86.7 | -14.8 | -173.7 | -75.2 | -80.2 | 0 | 0 | 0 | 114.5 | L541 L542 I548 F549 A656 F657 V660 F661 | L541-F545 HydrophobicContact CD1-CD2 3.66Å; L541-F545 HydrophobicContact CD1-CE2 3.62Å; L541-F545 HydrophobicContact CG-CD2 4.13Å; L541-F545 WeakPolarHBondContact O-CB 3.43Å; L541-F545 VanDerWaalsContact O-CD2 3.26Å; L541-F545 WeakPolarHBondContact O-CD2 3.38Å; L541-F545 PolarHBondContact O-N 2.74Å; L542-F545 PolarHBondContact O-N 3.36Å; F545-I548 HydrophobicContact CD1-CD1 3.77Å; F545-I548 HydrophobicContact CE1-CD1 4.16Å; F545-I548 CarbonylContact O-C 3.54Å; F545-I548 WeakPolarHBondContact O-CB 3.44Å; F545-I548 PolarHBondContact O-N 3.36Å; F545-I548 VanDerWaalsContact O-N 3.09Å; F545-F549 HydrophobicContact CB-CD2 3.87Å; F545-F549 HydrophobicContact CB-CE2 3.45Å; F545-F549 VanDerWaalsContact CB-CE2 3.45Å; F545-F549 HydrophobicContact CB-CZ 4.08Å; F545-F549 WeakPolarHBondContact O-CD2 3.41Å; F545-F549 WeakPolarHBondContact O-CG 3.06Å; F545-F549 PolarHBondContact O-N 3.08Å; F545-A656 HydrophobicContact CE2-CB 3.59Å; F545-A656 HydrophobicContact CZ-CB 3.6Å; F545-F657 AromaticContact CE1-CD1 3.96Å; F545-F657 HydrophobicContact CE1-CD1 3.96Å; F545-F657 HydrophobicContact CE1-CE1 4.08Å; F545-F657 AromaticContact CZ-CD1 3.94Å; F545-F657 HydrophobicContact CZ-CD1 3.94Å; F545-F657 HydrophobicContact CZ-CD2 4.34Å; F545-F657 HydrophobicContact CZ-CE1 4.16Å; F545-F657 HydrophobicContact CZ-CG 4.05Å; F545-F657 HydrophobicContact CZ-CZ 4.46Å; F545-V660 HydrophobicContact CE1-CB 4.37Å; F545-F661 AromaticContact CD1-CD2 3.81Å; F545-F661 HydrophobicContact CD1-CD2 3.81Å; F545-F661 AromaticContact CD1-CE2 3.59Å; F545-F661 HydrophobicContact CD1-CE2 3.59Å; F545-F661 AromaticContact CE1-CD2 3.86Å; F545-F661 HydrophobicContact CE1-CD2 3.86Å; F545-F661 HydrophobicContact CE1-CE2 4.12Å |
| 546 | T | 93.8 | Very high | 91.6 | Very high | 32 Ų | 32 | 25.4 Ų | 25.4 | 20% | 0.196 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -53.4 | -49.4 | 177.6 | -68.2 | 0 | 0 | 0 | 0 | 114.2 | L542 I548 F549 Y550 | L542-T546 WeakPolarHBondContact O-CB 3.47Å; L542-T546 PolarHBondContact O-N 3.2Å; L542-T546 PolarHBondContact O-OG1 2.82Å; T546-I548 PolarHBondContact O-N 3.38Å; T546-F549 PolarHBondContact O-N 3.42Å; T546-Y550 WeakPolarHBondContact O-CB 3.38Å; T546-Y550 PolarHBondContact O-N 3.02Å |
| 547 | P | 92.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.9 | -34.3 | 177.9 | 24.5 | -35.1 | 0 | 0 | 0 | 111.5 | I498 E544 Y550 V551 L584 L588 | I498-P547 HydrophobicContact CD1-CB 4.41Å; I498-P547 HydrophobicContact CG2-CB 3.91Å; I498-P547 HydrophobicContact CG2-CG 3.85Å; E544-P547 WeakPolarHBondContact O-CD 3.36Å; E544-P547 WeakPolarHBondContact O-CG 3.2Å; P547-Y550 PolarHBondContact O-N 3.43Å; P547-V551 WeakPolarHBondContact O-CG2 3.31Å; P547-V551 PolarHBondContact O-N 3.48Å; P547-V551 VanDerWaalsContact O-N 3.1Å; P547-L584 HydrophobicContact CB-CD2 4.13Å; P547-L588 HydrophobicContact CG-CD1 4.33Å |
| 548 | I | 93 | Very high | 89.3 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.3 | -45.5 | 176.8 | -55.1 | 166.9 | 0 | 0 | 0 | 110.7 | F545 T546 Y550 V551 A552 V581 L584 I585 L588 F657 F661 | F545-I548 HydrophobicContact CD1-CD1 3.77Å; F545-I548 HydrophobicContact CE1-CD1 4.16Å; F545-I548 CarbonylContact O-C 3.54Å; F545-I548 WeakPolarHBondContact O-CB 3.44Å; F545-I548 PolarHBondContact O-N 3.36Å; F545-I548 VanDerWaalsContact O-N 3.09Å; T546-I548 PolarHBondContact O-N 3.38Å; I548-Y550 VanDerWaalsContact C-N 3.3Å; I548-Y550 PolarHBondContact O-N 2.94Å; I548-V551 PolarHBondContact O-N 2.91Å; I548-A552 VanDerWaalsContact O-CB 3.22Å; I548-A552 WeakPolarHBondContact O-CB 3.48Å; I548-A552 PolarHBondContact O-N 3.43Å; I548-V581 HydrophobicContact CG2-CG1 4.01Å; I548-L584 HydrophobicContact CB-CD2 4.39Å; I548-L584 HydrophobicContact CG1-CD2 3.8Å; I548-L584 HydrophobicContact CG1-CG 4.11Å; I548-I585 HydrophobicContact CD1-CG1 3.84Å; I548-I585 HydrophobicContact CG1-CG1 4.27Å; I548-I585 HydrophobicContact CG2-CD1 4.17Å; I548-I585 HydrophobicContact CG2-CG1 4.09Å; I548-L588 HydrophobicContact CD1-CD1 4.12Å; I548-L588 HydrophobicContact CG1-CD1 4.15Å; I548-F657 HydrophobicContact CD1-CE1 3.89Å; I548-F661 HydrophobicContact CB-CE2 4.21Å; I548-F661 HydrophobicContact CB-CZ 4.3Å; I548-F661 HydrophobicContact CG2-CD1 3.93Å; I548-F661 HydrophobicContact CG2-CD2 3.77Å; I548-F661 HydrophobicContact CG2-CE1 3.75Å; I548-F661 HydrophobicContact CG2-CE2 3.57Å; I548-F661 HydrophobicContact CG2-CG 3.96Å; I548-F661 HydrophobicContact CG2-CZ 3.54Å |
| 549 | F | 93.2 | Very high | 87.9 | Confident | 44 Ų | 44 | 32.5 Ų | 32.5 | 19% | 0.193 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.9 | -41.9 | 175 | -73 | -51.1 | 0 | 0 | 0 | 112 | F545 T546 F553 F661 T718 | F545-F549 HydrophobicContact CB-CD2 3.87Å; F545-F549 HydrophobicContact CB-CE2 3.45Å; F545-F549 VanDerWaalsContact CB-CE2 3.45Å; F545-F549 HydrophobicContact CB-CZ 4.08Å; F545-F549 WeakPolarHBondContact O-CD2 3.41Å; F545-F549 WeakPolarHBondContact O-CG 3.06Å; F545-F549 PolarHBondContact O-N 3.08Å; T546-F549 PolarHBondContact O-N 3.42Å; F549-F553 AromaticContact CD1-CD2 3.94Å; F549-F553 HydrophobicContact CD1-CD2 3.94Å; F549-F553 AromaticContact CD1-CE2 3.75Å; F549-F553 HydrophobicContact CD1-CE2 3.75Å; F549-F553 HydrophobicContact CE1-CE2 4.25Å; F549-F553 WeakPolarHBondContact O-CB 3.31Å; F549-F553 PolarHBondContact O-N 2.89Å; F549-F661 HydrophobicContact CD1-CE2 4.24Å; F549-F661 AromaticContact CD1-CZ 3.56Å; F549-F661 HydrophobicContact CD1-CZ 3.56Å; F549-F661 AromaticContact CE1-CE2 3.88Å; F549-F661 HydrophobicContact CE1-CE2 3.88Å; F549-F661 AromaticContact CE1-CZ 3.52Å; F549-F661 HydrophobicContact CE1-CZ 3.52Å; F549-F661 HydrophobicContact CG-CZ 4.4Å; F549-F661 HydrophobicContact CZ-CE2 4.32Å; F549-F661 HydrophobicContact CZ-CZ 4.38Å; F549-T718 HydrophobicContact CE1-CG2 3.77Å; F549-T718 HydrophobicContact CZ-CG2 4.34Å |
| 550 | Y | 91.4 | Very high | 86.5 | Confident | 15 Ų | 15 | 36.9 Ų | 36.9 | 6% | 0.059 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -59.8 | -53.9 | 177 | 172.3 | -104.3 | 0 | 0 | 0 | 111.5 | V462 M466 T546 P547 I548 A552 F554 K555 | V462-Y550 HydrophobicContact CG1-CD2 3.92Å; V462-Y550 HydrophobicContact CG1-CE2 3.87Å; V462-Y550 HydrophobicContact CG1-CG 4.42Å; V462-Y550 HydrophobicContact CG2-CD2 4.01Å; V462-Y550 HydrophobicContact CG2-CG 4.07Å; M466-Y550 HydrophobicContact CE-CE2 3.97Å; M466-Y550 WeakPolarHBondContact CE-OH 3.49Å; M466-Y550 PolarHBondContact SD-OH 2.7Å; T546-Y550 WeakPolarHBondContact O-CB 3.38Å; T546-Y550 PolarHBondContact O-N 3.02Å; P547-Y550 PolarHBondContact O-N 3.43Å; I548-Y550 VanDerWaalsContact C-N 3.3Å; I548-Y550 PolarHBondContact O-N 2.94Å; Y550-A552 VanDerWaalsContact C-N 3.35Å; Y550-A552 PolarHBondContact O-N 3.4Å; Y550-F554 HydrophobicContact CD2-CB 3.88Å; Y550-F554 HydrophobicContact CE2-CB 4.2Å; Y550-F554 PolarHBondContact O-N 3.3Å; Y550-K555 PolarHBondContact O-N 3.21Å |
| 551 | V | 88.9 | Confident | 85.5 | Confident | 11 Ų | 11 | 36.8 Ų | 36.8 | 7% | 0.067 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -64.2 | -39.4 | -179.7 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | P547 I548 K555 E580 V581 L584 | P547-V551 WeakPolarHBondContact O-CG2 3.31Å; P547-V551 PolarHBondContact O-N 3.48Å; P547-V551 VanDerWaalsContact O-N 3.1Å; I548-V551 PolarHBondContact O-N 2.91Å; V551-K555 HydrophobicContact CG1-CD 4.37Å; V551-E580 HydrophobicContact CG1-CB 3.88Å; V551-V581 HydrophobicContact CB-CG2 4.26Å; V551-V581 HydrophobicContact CG1-CG2 3.76Å; V551-L584 HydrophobicContact CG2-CD2 4.18Å |
| 552 | A | 90 | Very high | 84.3 | Confident | 9 Ų | 9 | 36.7 Ų | 36.7 | 7% | 0.074 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -72.4 | -42.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | I548 Y550 V581 F661 L722 T726 | I548-A552 VanDerWaalsContact O-CB 3.22Å; I548-A552 WeakPolarHBondContact O-CB 3.48Å; I548-A552 PolarHBondContact O-N 3.43Å; Y550-A552 VanDerWaalsContact C-N 3.35Å; Y550-A552 PolarHBondContact O-N 3.4Å; A552-V581 HydrophobicContact CB-CG2 3.86Å; A552-F661 HydrophobicContact CB-CE1 4Å; A552-L722 HydrophobicContact CB-CD1 4.2Å; A552-T726 WeakPolarHBondContact O-CG2 3.22Å; A552-T726 PolarHBondContact O-OG1 3.2Å |
| 553 | F | 89.7 | Confident | 83 | Confident | 45 Ų | 45 | 35 Ų | 35 | 20% | 0.197 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -116.5 | -26.9 | -166.2 | -59.5 | -53 | 0 | 0 | 0 | 115.2 | F549 F661 A721 L722 | F549-F553 AromaticContact CD1-CD2 3.94Å; F549-F553 HydrophobicContact CD1-CD2 3.94Å; F549-F553 AromaticContact CD1-CE2 3.75Å; F549-F553 HydrophobicContact CD1-CE2 3.75Å; F549-F553 HydrophobicContact CE1-CE2 4.25Å; F549-F553 WeakPolarHBondContact O-CB 3.31Å; F549-F553 PolarHBondContact O-N 2.89Å; F553-F661 HydrophobicContact CE2-CE1 4.25Å; F553-F661 HydrophobicContact CE2-CZ 4.4Å; F553-F661 HydrophobicContact CZ-CE1 4.42Å; F553-A721 HydrophobicContact CE1-CB 3.62Å; F553-A721 HydrophobicContact CZ-CB 3.72Å; F553-L722 HydrophobicContact CE1-CB 4.46Å; F553-L722 HydrophobicContact CZ-CB 4.42Å |
| 554 | F | 87.7 | Confident | 81.7 | Confident | 125 Ų | 125 | 37.7 Ų | 37.7 | 55% | 0.548 | 20% | 0.203 | S | C | . | . | I | π-helix | trans | -108.7 | -26.1 | -171.4 | -65.9 | -81.3 | 0 | 0 | 0 | 113.9 | Y550 V557 S558 | Y550-F554 HydrophobicContact CD2-CB 3.88Å; Y550-F554 HydrophobicContact CE2-CB 4.2Å; Y550-F554 PolarHBondContact O-N 3.3Å; F554-V557 PolarHBondContact O-N 3.48Å; F554-S558 PolarHBondContact O-N 2.88Å; F554-S558 PolarHBondContact O-OG 2.75Å |
| 555 | K | 83.4 | Confident | 80.2 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -51.4 | -177.5 | -169.1 | 175.9 | -179.1 | -158.2 | 0 | 113 | Y550 V551 V557 S558 E570 L571 E580 | Y550-K555 PolarHBondContact O-N 3.21Å; V551-K555 HydrophobicContact CG1-CD 4.37Å; K555-V557 VanDerWaalsContact C-N 3.32Å; K555-V557 PolarHBondContact O-N 2.91Å; K555-S558 PolarHBondContact O-N 3.49Å; K555-E570 HydrophobicContact CD-CB 4.39Å; K555-E570 WeakPolarHBondContact CE-OE2 3.5Å; K555-E570 HydrophobicContact CG-CB 4.21Å; K555-L571 PolarHBondContact NZ-O 2.74Å; K555-E580 IonicContact NZ-OE1 3.53Å; K555-E580 PolarHBondContact NZ-OE1 3.07Å; K555-E580 IonicContact NZ-OE2 2.68Å; K555-E580 PolarHBondContact NZ-OE2 2.56Å |
| 556 | E | 74.6 | Confident | 78.7 | Confident | 71 Ų | 71 | 44.9 Ų | 44.9 | 33% | 0.332 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -66.5 | -31.7 | -179 | -165.5 | 179.1 | -160.7 | 0 | 0 | 112.8 | S558 R799 | E556-S558 VanDerWaalsContact C-N 3.34Å; E556-S558 PolarHBondContact O-N 2.95Å; E556-R799 IonicContact OE2-NH1 2.74Å |
| 557 | V | 75.8 | Confident | 77.1 | Confident | 118 Ų | 118 | 50.6 Ų | 50.6 | 72% | 0.715 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -74.6 | -25.2 | -175.9 | -177.9 | 0 | 0 | 0 | 0 | 112.4 | F554 K555 V559 | F554-V557 PolarHBondContact O-N 3.48Å; K555-V557 VanDerWaalsContact C-N 3.32Å; K555-V557 PolarHBondContact O-N 2.91Å; V557-V559 VanDerWaalsContact C-N 3.25Å; V557-V559 PolarHBondContact O-N 2.85Å |
| 558 | S | 64.7 | Low | 75.6 | Confident | 69 Ų | 69 | 53.9 Ų | 53.9 | 48% | 0.483 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -78.6 | -2.4 | -170.6 | -58.6 | 0 | 0 | 0 | 0 | 114.3 | F554 K555 E556 | F554-S558 PolarHBondContact O-N 2.88Å; F554-S558 PolarHBondContact O-OG 2.75Å; K555-S558 PolarHBondContact O-N 3.49Å; E556-S558 VanDerWaalsContact C-N 3.34Å; E556-S558 PolarHBondContact O-N 2.95Å |
| 559 | V | 64.9 | Low | 74.2 | Confident | 28 Ų | 28 | 55.4 Ų | 55.4 | 17% | 0.17 | 30% | 0.295 | C | S | . | . | trans | -111.8 | 116.5 | -171.5 | -173.6 | 0 | 0 | 0 | 0 | 111.9 | V557 K569 E570 L571 | V557-V559 VanDerWaalsContact C-N 3.25Å; V557-V559 PolarHBondContact O-N 2.85Å; V559-K569 HydrophobicContact CG1-CB 4.22Å; V559-K569 HydrophobicContact CG1-CD 4.03Å; V559-K569 HydrophobicContact CG2-CB 4.08Å; V559-E570 WeakPolarHBondContact CG2-O 3.34Å; V559-L571 HydrophobicContact CG1-CD1 4.1Å; V559-L571 HydrophobicContact CG1-CG 4.26Å | ||
| 560 | D | 67.8 | Low | 73 | Confident | 94 Ų | 94 | 54 Ų | 54 | 50% | 0.503 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -78.8 | -72.8 | 173 | -91 | -44.4 | 0 | 0 | 0 | 112.6 | R780 | D560-R780 VanDerWaalsContact CA-NH2 3.3Å; D560-R780 WeakPolarHBondContact O-CD 3.38Å; D560-R780 PolarHBondContact O-NE 3.49Å; D560-R780 PolarHBondContact O-NH2 2.95Å; D560-R780 VanDerWaalsContact O-NH2 3.14Å; D560-R780 IonicContact OD1-CZ 3.17Å; D560-R780 IonicContact OD1-NH1 2.97Å; D560-R780 IonicContact OD1-NH2 3.93Å; D560-R780 PolarHBondContact OD1-NH2 3.45Å |
| 561 | T | 72.3 | Confident | 72 | Confident | 18 Ų | 18 | 54.9 Ų | 54.9 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | trans | -140.7 | 150 | 175.4 | 63.3 | 0 | 0 | 0 | 0 | 108.8 | L563 D564 Y786 | T561-L563 PolarHBondContact O-N 3.39Å; T561-L563 VanDerWaalsContact O-N 3.13Å; T561-D564 PolarHBondContact O-N 3.02Å; T561-Y786 HydrophobicContact CG2-CG 4.39Å | ||
| 562 | P | 70.4 | Confident | 71.4 | Confident | 15 Ų | 15 | 55.2 Ų | 55.2 | 10% | 0.097 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -9.5 | 176.2 | 27.9 | -35.4 | 0 | 0 | 0 | 113.1 | C337 V756 W761 Y776 | C337-P562 HydrophobicContact CB-CB 4.36Å; C337-P562 HydrophobicContact CB-CG 4.47Å; P562-V756 HydrophobicContact CG-CG1 4.45Å; P562-V756 HydrophobicContact CG-CG2 4.3Å; P562-W761 HydrophobicContact CB-CZ2 4.38Å; P562-Y776 HydrophobicContact CG-CD1 3.8Å; P562-Y776 HydrophobicContact CG-CD2 4.43Å; P562-Y776 HydrophobicContact CG-CE1 4.09Å; P562-Y776 HydrophobicContact CG-CG 4Å |
| 563 | L | 68.4 | Low | 70.4 | Confident | 33 Ų | 33 | 55.1 Ų | 55.1 | 17% | 0.173 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -22 | 177.2 | -70.7 | 121 | 0 | 0 | 0 | 113.6 | T561 L565 V756 Y786 | T561-L563 PolarHBondContact O-N 3.39Å; T561-L563 VanDerWaalsContact O-N 3.13Å; L563-L565 PolarHBondContact O-N 3.26Å; L563-V756 HydrophobicContact CD1-CB 4.14Å; L563-V756 HydrophobicContact CD1-CG1 3.35Å; L563-V756 HydrophobicContact CD1-CG2 3.62Å; L563-V756 HydrophobicContact CD2-CG1 4.22Å; L563-V756 HydrophobicContact CG-CG1 3.72Å; L563-Y786 HydrophobicContact CD1-CD2 3.8Å; L563-Y786 HydrophobicContact CD1-CE1 4.43Å; L563-Y786 HydrophobicContact CD1-CE2 3.34Å; L563-Y786 HydrophobicContact CD1-CG 4.5Å; L563-Y786 HydrophobicContact CD2-CE2 4.46Å |
| 564 | D | 66.5 | Low | 69.1 | Low | 58 Ų | 58 | 53.6 Ų | 53.6 | 31% | 0.31 | 29% | 0.29 | S | S | . | . | trans | -85.8 | 97.9 | -178.3 | 176.7 | 19.3 | 0 | 0 | 0 | 109.7 | T561 T566 K569 | T561-D564 PolarHBondContact O-N 3.02Å; D564-T566 VanDerWaalsContact C-N 3.3Å; D564-T566 WeakPolarHBondContact OD1-CB 3.29Å; D564-T566 WeakPolarHBondContact OD1-CG2 3.43Å; D564-T566 PolarHBondContact OD1-N 3.42Å; D564-T566 PolarHBondContact OD1-OG1 3.45Å; D564-T566 PolarHBondContact OD2-OG1 3.09Å; D564-K569 VanDerWaalsContact CG-NZ 3.31Å; D564-K569 WeakPolarHBondContact O-CE 3.48Å; D564-K569 IonicContact OD2-NZ 3.94Å; D564-K569 PolarHBondContact OD2-NZ 3.35Å | ||
| 565 | L | 62.7 | Low | 67.9 | Low | 59 Ų | 59 | 48 Ų | 48 | 31% | 0.309 | 27% | 0.268 | S | S | . | . | trans | -85.2 | 4.6 | -177 | -61.1 | 173.8 | 0 | 0 | 0 | 113.2 | E341 L563 F567 L764 | E341-L565 HydrophobicContact CG-CD2 4.17Å; L563-L565 PolarHBondContact O-N 3.26Å; L565-F567 PolarHBondContact O-N 3.13Å; L565-L764 HydrophobicContact CD1-CD1 3.75Å; L565-L764 HydrophobicContact CD1-CD2 4Å | ||
| 566 | T | 61.8 | Low | 67.4 | Low | 96 Ų | 96 | 48 Ų | 48 | 59% | 0.589 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -61.2 | -30.2 | -176.8 | 47.3 | 0 | 0 | 0 | 0 | 113.3 | D564 | D564-T566 VanDerWaalsContact C-N 3.3Å; D564-T566 WeakPolarHBondContact OD1-CB 3.29Å; D564-T566 WeakPolarHBondContact OD1-CG2 3.43Å; D564-T566 PolarHBondContact OD1-N 3.42Å; D564-T566 PolarHBondContact OD1-OG1 3.45Å; D564-T566 PolarHBondContact OD2-OG1 3.09Å |
| 567 | F | 59.7 | Low | 67.7 | Low | 152 Ų | 152 | 44.8 Ų | 44.8 | 67% | 0.667 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -136.1 | 143.2 | 175.1 | -63.3 | -77.9 | 0 | 0 | 0 | 109.6 | L565 K569 | L565-F567 PolarHBondContact O-N 3.13Å; F567-K569 WeakPolarHBondContact O-CG 3.47Å; F567-K569 PolarHBondContact O-N 3.03Å; F567-K569 VanDerWaalsContact O-N 3.07Å |
| 568 | P | 60.4 | Low | 68.1 | Low | 68 Ų | 68 | 39.4 Ų | 39.4 | 44% | 0.442 | 22% | 0.221 | S | C | . | . | trans | -58.5 | 115.2 | 170.4 | -17.5 | 28.9 | 0 | 0 | 0 | 108.9 | V469 | V469-P568 HydrophobicContact CB-CB 4Å; V469-P568 HydrophobicContact CG1-CB 3.9Å; V469-P568 HydrophobicContact CG2-CB 4.39Å | ||
| 569 | K | 64.2 | Low | 68.9 | Low | 32 Ų | 32 | 36.3 Ų | 36.3 | 14% | 0.139 | 20% | 0.199 | C | C | . | . | trans | -101.1 | 123.6 | -177.3 | -71.8 | -178.8 | -167.6 | -172.8 | 0 | 109.9 | V559 D564 F567 L571 | V559-K569 HydrophobicContact CG1-CB 4.22Å; V559-K569 HydrophobicContact CG1-CD 4.03Å; V559-K569 HydrophobicContact CG2-CB 4.08Å; D564-K569 VanDerWaalsContact CG-NZ 3.31Å; D564-K569 WeakPolarHBondContact O-CE 3.48Å; D564-K569 IonicContact OD2-NZ 3.94Å; D564-K569 PolarHBondContact OD2-NZ 3.35Å; F567-K569 WeakPolarHBondContact O-CG 3.47Å; F567-K569 PolarHBondContact O-N 3.03Å; F567-K569 VanDerWaalsContact O-N 3.07Å; K569-L571 HydrophobicContact CB-CD1 4.41Å; K569-L571 PolarHBondContact O-N 3.44Å | ||
| 570 | E | 67.8 | Low | 69.9 | Low | 14 Ų | 14 | 35.2 Ų | 35.2 | 7% | 0.065 | 19% | 0.192 | C | C | . | . | trans | -83.8 | 106.9 | 176.1 | -50.6 | -151.5 | 131.5 | 0 | 0 | 110.7 | M466 V469 K555 V559 | M466-E570 WeakPolarHBondContact CA-OE1 3.31Å; M466-E570 HydrophobicContact SD-CG 3.87Å; V469-E570 HydrophobicContact CG2-CB 4.48Å; V469-E570 HydrophobicContact CG2-CG 3.68Å; K555-E570 HydrophobicContact CD-CB 4.39Å; K555-E570 WeakPolarHBondContact CE-OE2 3.5Å; K555-E570 HydrophobicContact CG-CB 4.21Å; V559-E570 WeakPolarHBondContact CG2-O 3.34Å | ||
| 571 | L | 70.2 | Confident | 70.9 | Confident | 35 Ų | 35 | 30.8 Ų | 30.8 | 18% | 0.183 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -81.3 | 143.6 | 170.3 | -76.1 | 80.4 | 0 | 0 | 0 | 110.1 | K555 V559 K569 Y776 | K555-L571 PolarHBondContact NZ-O 2.74Å; V559-L571 HydrophobicContact CG1-CD1 4.1Å; V559-L571 HydrophobicContact CG1-CG 4.26Å; K569-L571 HydrophobicContact CB-CD1 4.41Å; K569-L571 PolarHBondContact O-N 3.44Å; L571-Y776 HydrophobicContact CD2-CD2 4.48Å |
| 572 | C | 77.1 | Confident | 71.7 | Confident | 18 Ų | 18 | 30.3 Ų | 30.3 | 12% | 0.122 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 152.1 | 162.2 | -63.4 | 0 | 0 | 0 | 0 | 109.4 | C577 | C572-C577 HydrophobicContact CB-CB 4.03Å; C572-C577 WeakPolarHBondContact CB-SG 3.26Å; C572-C577 WeakPolarHBondContact SG-CB 3.4Å; C572-C577 CovalentContact SG-SG 2.03Å; C572-C577 PolarHBondContact SG-SG 2.9Å |
| 573 | D | 68.3 | Low | 72.6 | Confident | 6 Ų | 6 | 31.2 Ų | 31.2 | 3% | 0.032 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -56.7 | 151.2 | 163.9 | -73.3 | -49.5 | 0 | 0 | 0 | 110.3 | R357 G575 G576 | R357-D573 WeakPolarHBondContact CD-OD2 3.41Å; R357-D573 IonicContact CZ-OD1 3.18Å; R357-D573 IonicContact NE-OD1 3.7Å; R357-D573 IonicContact NE-OD2 3.26Å; R357-D573 IonicContact NH1-OD1 2.85Å; R357-D573 PolarHBondContact NH1-OD1 3.18Å; R357-D573 IonicContact NH1-OD2 3.65Å; D573-G575 PolarHBondContact O-N 2.88Å; D573-G575 VanDerWaalsContact O-N 3.16Å; D573-G576 WeakPolarHBondContact O-CA 3.26Å; D573-G576 PolarHBondContact O-N 3.36Å |
| 574 | P | 62.8 | Low | 73.7 | Confident | 14 Ų | 14 | 29.7 Ų | 29.7 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -28.4 | 179.9 | -25.9 | 37.1 | 0 | 0 | 0 | 113.2 | M336 W348 F350 G576 | M336-P574 HydrophobicContact CE-CB 4.13Å; M336-P574 HydrophobicContact CE-CG 3.35Å; M336-P574 HydrophobicContact SD-CG 4.47Å; W348-P574 HydrophobicContact CH2-CG 3.54Å; W348-P574 HydrophobicContact CZ2-CG 4.06Å; F350-P574 HydrophobicContact CD2-CB 4.22Å; F350-P574 HydrophobicContact CD2-CG 4.12Å; F350-P574 HydrophobicContact CE1-CB 4.08Å; F350-P574 HydrophobicContact CE2-CB 3.38Å; F350-P574 HydrophobicContact CE2-CG 3.7Å; F350-P574 HydrophobicContact CZ-CB 3.3Å; F350-P574 HydrophobicContact CZ-CG 4.09Å; P574-G576 PolarHBondContact O-N 3.39Å |
| 575 | G | 62.2 | Low | 74.9 | Confident | 8 Ų | 8 | 27 Ų | 27 | 8% | 0.082 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 6.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S361 D573 | S361-G575 WeakPolarHBondContact CB-O 3.41Å; S361-G575 PolarHBondContact OG-O 2.93Å; D573-G575 PolarHBondContact O-N 2.88Å; D573-G575 VanDerWaalsContact O-N 3.16Å |
| 576 | G | 72.4 | Confident | 76.1 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | trans | 94 | 166.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D573 P574 T578 S579 | D573-G576 WeakPolarHBondContact O-CA 3.26Å; D573-G576 PolarHBondContact O-N 3.36Å; P574-G576 PolarHBondContact O-N 3.39Å; G576-T578 PolarHBondContact O-N 3.5Å; G576-S579 PolarHBondContact O-OG 3.05Å | ||
| 577 | C | 82 | Confident | 77.4 | Confident | 5 Ų | 5 | 23 Ų | 23 | 3% | 0.034 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -4.6 | 175.9 | -95.6 | 0 | 0 | 0 | 0 | 113.3 | C572 S579 E580 V581 T726 | C572-C577 HydrophobicContact CB-CB 4.03Å; C572-C577 WeakPolarHBondContact CB-SG 3.26Å; C572-C577 WeakPolarHBondContact SG-CB 3.4Å; C572-C577 CovalentContact SG-SG 2.03Å; C572-C577 PolarHBondContact SG-SG 2.9Å; C577-S579 PolarHBondContact O-N 3.34Å; C577-E580 WeakPolarHBondContact O-CB 3.46Å; C577-E580 PolarHBondContact O-N 3.04Å; C577-V581 WeakPolarHBondContact O-CG2 3.47Å; C577-V581 PolarHBondContact O-N 3.41Å; C577-T726 HydrophobicContact CB-CG2 4.31Å |
| 578 | T | 84 | Confident | 78.8 | Confident | 4 Ų | 4 | 15.8 Ų | 15.8 | 3% | 0.025 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.8 | -37.9 | -177.3 | 46.1 | 0 | 0 | 0 | 0 | 113 | S361 G576 E580 V581 T582 T726 | S361-T578 PolarHBondContact OG-OG1 2.88Å; G576-T578 PolarHBondContact O-N 3.5Å; T578-E580 VanDerWaalsContact C-N 3.32Å; T578-E580 PolarHBondContact O-N 3.42Å; T578-V581 PolarHBondContact O-N 3.48Å; T578-T582 WeakPolarHBondContact O-CB 3.47Å; T578-T582 PolarHBondContact O-N 3.48Å; T578-T582 PolarHBondContact O-OG1 3.06Å; T578-T726 HydrophobicContact CG2-CG2 3.94Å |
| 579 | S | 81.6 | Confident | 80.3 | Confident | 5 Ų | 5 | 12.6 Ų | 12.6 | 4% | 0.035 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.7 | -41.4 | 175.1 | 54.5 | 0 | 0 | 0 | 0 | 111.6 | G576 C577 T582 E583 | G576-S579 PolarHBondContact O-OG 3.05Å; C577-S579 PolarHBondContact O-N 3.34Å; S579-T582 WeakPolarHBondContact O-CB 3.29Å; S579-T582 PolarHBondContact O-N 3.5Å; S579-E583 PolarHBondContact O-N 2.98Å |
| 580 | E | 84.6 | Confident | 81.5 | Confident | 5 Ų | 5 | 15.2 Ų | 15.2 | 2% | 0.023 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -66.3 | -44.9 | 177.5 | -60.2 | -168.5 | -137.5 | 0 | 0 | 111.9 | R468 V551 K555 C577 T578 T582 E583 L584 | R468-E580 IonicContact CZ-OE2 4Å; R468-E580 IonicContact NH1-OE1 2.64Å; R468-E580 IonicContact NH1-OE2 3.61Å; R468-E580 PolarHBondContact NH1-OE2 2.67Å; V551-E580 HydrophobicContact CG1-CB 3.88Å; K555-E580 IonicContact NZ-OE1 3.53Å; K555-E580 PolarHBondContact NZ-OE1 3.07Å; K555-E580 IonicContact NZ-OE2 2.68Å; K555-E580 PolarHBondContact NZ-OE2 2.56Å; C577-E580 WeakPolarHBondContact O-CB 3.46Å; C577-E580 PolarHBondContact O-N 3.04Å; T578-E580 VanDerWaalsContact C-N 3.32Å; T578-E580 PolarHBondContact O-N 3.42Å; E580-T582 VanDerWaalsContact C-N 3.28Å; E580-T582 PolarHBondContact O-N 3.34Å; E580-E583 PolarHBondContact O-N 3.37Å; E580-L584 WeakPolarHBondContact O-CB 3.26Å; E580-L584 PolarHBondContact O-N 2.72Å |
| 581 | V | 89.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.4 | -43.8 | 174 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | I548 V551 A552 C577 T578 L584 I585 F661 S664 | I548-V581 HydrophobicContact CG2-CG1 4.01Å; V551-V581 HydrophobicContact CB-CG2 4.26Å; V551-V581 HydrophobicContact CG1-CG2 3.76Å; A552-V581 HydrophobicContact CB-CG2 3.86Å; C577-V581 WeakPolarHBondContact O-CG2 3.47Å; C577-V581 PolarHBondContact O-N 3.41Å; T578-V581 PolarHBondContact O-N 3.48Å; V581-L584 PolarHBondContact O-N 3.31Å; V581-I585 HydrophobicContact CG1-CD1 3.63Å; V581-I585 HydrophobicContact CG1-CG1 4.41Å; V581-I585 WeakPolarHBondContact O-CB 2.94Å; V581-I585 WeakPolarHBondContact O-CD1 3.42Å; V581-I585 VanDerWaalsContact O-CG1 3.26Å; V581-I585 WeakPolarHBondContact O-CG1 3.32Å; V581-I585 PolarHBondContact O-N 3.24Å; V581-F661 HydrophobicContact CG1-CD1 4.34Å; V581-S664 WeakPolarHBondContact CG1-OG 3.19Å |
| 582 | T | 90.2 | Very high | 83.2 | Confident | 9 Ų | 9 | 16 Ų | 16 | 6% | 0.055 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.7 | -45 | 179.5 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | M364 T578 S579 E580 S586 S664 F665 | M364-T582 HydrophobicContact CB-CG2 4.45Å; M364-T582 HydrophobicContact CE-CG2 4.38Å; M364-T582 HydrophobicContact CG-CG2 3.97Å; M364-T582 HydrophobicContact SD-CG2 4.23Å; T578-T582 WeakPolarHBondContact O-CB 3.47Å; T578-T582 PolarHBondContact O-N 3.48Å; T578-T582 PolarHBondContact O-OG1 3.06Å; S579-T582 WeakPolarHBondContact O-CB 3.29Å; S579-T582 PolarHBondContact O-N 3.5Å; E580-T582 VanDerWaalsContact C-N 3.28Å; E580-T582 PolarHBondContact O-N 3.34Å; T582-S586 VanDerWaalsContact O-CB 3.31Å; T582-S586 WeakPolarHBondContact O-CB 3.5Å; T582-S586 PolarHBondContact O-N 3.37Å; T582-S586 PolarHBondContact O-OG 3.35Å; T582-S664 PolarHBondContact OG1-O 3Å; T582-F665 HydrophobicContact CG2-CB 4.16Å; T582-F665 HydrophobicContact CG2-CD2 3.75Å; T582-F665 HydrophobicContact CG2-CG 4.31Å |
| 583 | E | 87.7 | Confident | 83.7 | Confident | 33 Ų | 33 | 15.8 Ų | 15.8 | 15% | 0.154 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65 | -45 | 177.7 | -176.6 | 177.2 | 137.3 | 0 | 0 | 111.9 | R491 H495 S579 E580 I585 S586 I587 | R491-E583 IonicContact CZ-OE1 3.71Å; R491-E583 IonicContact CZ-OE2 3.72Å; R491-E583 IonicContact NE-OE1 3.67Å; R491-E583 IonicContact NE-OE2 2.7Å; R491-E583 IonicContact NH1-OE2 2.66Å; R491-E583 PolarHBondContact NH1-OE2 3.5Å; R491-E583 IonicContact NH2-OE1 3.72Å; R491-E583 IonicContact NH2-OE2 3.99Å; R491-E583 PolarHBondContact NH2-OE2 3.49Å; H495-E583 IonicContact CE1-OE1 3.86Å; H495-E583 IonicContact ND1-OE1 3.86Å; S579-E583 PolarHBondContact O-N 2.98Å; E580-E583 PolarHBondContact O-N 3.37Å; E583-I585 PolarHBondContact O-N 3.41Å; E583-S586 WeakPolarHBondContact O-CB 3.36Å; E583-S586 PolarHBondContact O-N 3.24Å; E583-I587 HydrophobicContact CG-CD1 3.79Å; E583-I587 HydrophobicContact CG-CG1 4.46Å; E583-I587 WeakPolarHBondContact O-CG1 3.43Å; E583-I587 PolarHBondContact O-N 3.32Å |
| 584 | L | 91.3 | Very high | 84.5 | Confident | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.2 | -47.1 | 178.5 | 179.5 | 62.7 | 0 | 0 | 0 | 111.1 | P547 I548 V551 E580 V581 S586 I587 L588 | P547-L584 HydrophobicContact CB-CD2 4.13Å; I548-L584 HydrophobicContact CB-CD2 4.39Å; I548-L584 HydrophobicContact CG1-CD2 3.8Å; I548-L584 HydrophobicContact CG1-CG 4.11Å; V551-L584 HydrophobicContact CG2-CD2 4.18Å; E580-L584 WeakPolarHBondContact O-CB 3.26Å; E580-L584 PolarHBondContact O-N 2.72Å; V581-L584 PolarHBondContact O-N 3.31Å; L584-S586 VanDerWaalsContact C-N 3.34Å; L584-S586 PolarHBondContact O-N 3.41Å; L584-I587 PolarHBondContact O-N 2.99Å; L584-L588 HydrophobicContact CD1-CD1 3.77Å; L584-L588 HydrophobicContact CD1-CG 3.99Å; L584-L588 HydrophobicContact CG-CD1 3.89Å; L584-L588 HydrophobicContact CG-CG 4.43Å; L584-L588 WeakPolarHBondContact O-CB 3.37Å; L584-L588 VanDerWaalsContact O-CG 3.31Å; L584-L588 WeakPolarHBondContact O-CG 2.95Å; L584-L588 PolarHBondContact O-N 3.41Å |
| 585 | I | 92.3 | Very high | 85.5 | Confident | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.3 | -45.6 | 175 | -69.8 | 164.5 | 0 | 0 | 0 | 110.7 | I548 V581 E583 I587 L588 L589 F657 F661 F665 | I548-I585 HydrophobicContact CD1-CG1 3.84Å; I548-I585 HydrophobicContact CG1-CG1 4.27Å; I548-I585 HydrophobicContact CG2-CD1 4.17Å; I548-I585 HydrophobicContact CG2-CG1 4.09Å; V581-I585 HydrophobicContact CG1-CD1 3.63Å; V581-I585 HydrophobicContact CG1-CG1 4.41Å; V581-I585 WeakPolarHBondContact O-CB 2.94Å; V581-I585 WeakPolarHBondContact O-CD1 3.42Å; V581-I585 VanDerWaalsContact O-CG1 3.26Å; V581-I585 WeakPolarHBondContact O-CG1 3.32Å; V581-I585 PolarHBondContact O-N 3.24Å; E583-I585 PolarHBondContact O-N 3.41Å; I585-I587 VanDerWaalsContact C-N 3.34Å; I585-I587 PolarHBondContact O-N 3.23Å; I585-L588 PolarHBondContact O-N 3.1Å; I585-L589 WeakPolarHBondContact O-CB 3.31Å; I585-L589 PolarHBondContact O-N 3.01Å; I585-F657 HydrophobicContact CG2-CD1 4.17Å; I585-F661 HydrophobicContact CD1-CB 3.39Å; I585-F661 HydrophobicContact CD1-CG 3.99Å; I585-F665 HydrophobicContact CG2-CB 4.2Å; I585-F665 HydrophobicContact CG2-CD1 3.94Å; I585-F665 HydrophobicContact CG2-CG 4.41Å |
| 586 | S | 89.2 | Confident | 86.3 | Confident | 25 Ų | 25 | 22.1 Ų | 22.1 | 18% | 0.175 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.4 | -46.2 | -179.3 | -60.9 | 0 | 0 | 0 | 0 | 111 | T582 E583 L584 L590 | T582-S586 VanDerWaalsContact O-CB 3.31Å; T582-S586 WeakPolarHBondContact O-CB 3.5Å; T582-S586 PolarHBondContact O-N 3.37Å; T582-S586 PolarHBondContact O-OG 3.35Å; E583-S586 WeakPolarHBondContact O-CB 3.36Å; E583-S586 PolarHBondContact O-N 3.24Å; L584-S586 VanDerWaalsContact C-N 3.34Å; L584-S586 PolarHBondContact O-N 3.41Å; S586-L590 WeakPolarHBondContact O-CB 3.3Å; S586-L590 WeakPolarHBondContact O-CD1 3.09Å; S586-L590 WeakPolarHBondContact O-CG 3.25Å; S586-L590 PolarHBondContact O-N 3.34Å |
| 587 | I | 87.3 | Confident | 86.7 | Confident | 46 Ų | 46 | 23.1 Ų | 23.1 | 24% | 0.236 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.9 | -49.4 | 180 | -68.7 | 168.6 | 0 | 0 | 0 | 111 | H495 E583 L584 I585 L589 L590 A591 | H495-I587 HydrophobicContact CB-CD1 4.04Å; H495-I587 HydrophobicContact CB-CG2 4.19Å; H495-I587 WeakPolarHBondContact ND1-CD1 3.32Å; E583-I587 HydrophobicContact CG-CD1 3.79Å; E583-I587 HydrophobicContact CG-CG1 4.46Å; E583-I587 WeakPolarHBondContact O-CG1 3.43Å; E583-I587 PolarHBondContact O-N 3.32Å; L584-I587 PolarHBondContact O-N 2.99Å; I585-I587 VanDerWaalsContact C-N 3.34Å; I585-I587 PolarHBondContact O-N 3.23Å; I587-L589 PolarHBondContact O-N 3.35Å; I587-L590 PolarHBondContact O-N 2.89Å; I587-A591 WeakPolarHBondContact O-CB 3.33Å; I587-A591 PolarHBondContact O-N 3.04Å |
| 588 | L | 89.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.9 | -46.2 | -178.7 | -71.1 | 177.1 | 0 | 0 | 0 | 111.6 | I498 F499 P547 I548 L584 I585 R592 F657 | I498-L588 HydrophobicContact CG2-CD2 4.44Å; F499-L588 HydrophobicContact CB-CD2 3.99Å; F499-L588 HydrophobicContact CD2-CD2 3.99Å; F499-L588 HydrophobicContact CG-CD2 4.49Å; P547-L588 HydrophobicContact CG-CD1 4.33Å; I548-L588 HydrophobicContact CD1-CD1 4.12Å; I548-L588 HydrophobicContact CG1-CD1 4.15Å; L584-L588 HydrophobicContact CD1-CD1 3.77Å; L584-L588 HydrophobicContact CD1-CG 3.99Å; L584-L588 HydrophobicContact CG-CD1 3.89Å; L584-L588 HydrophobicContact CG-CG 4.43Å; L584-L588 WeakPolarHBondContact O-CB 3.37Å; L584-L588 VanDerWaalsContact O-CG 3.31Å; L584-L588 WeakPolarHBondContact O-CG 2.95Å; L584-L588 PolarHBondContact O-N 3.41Å; I585-L588 PolarHBondContact O-N 3.1Å; L588-R592 VanDerWaalsContact O-CB 3.23Å; L588-R592 WeakPolarHBondContact O-CB 3.43Å; L588-R592 PolarHBondContact O-N 3.05Å; L588-F657 HydrophobicContact CB-CZ 4.33Å |
| 589 | L | 91.4 | Very high | 86 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.7 | -54.8 | 176.3 | -179.3 | 62.3 | 0 | 0 | 0 | 110.7 | I585 I587 A591 R592 L593 F657 F665 A668 V671 | I585-L589 WeakPolarHBondContact O-CB 3.31Å; I585-L589 PolarHBondContact O-N 3.01Å; I587-L589 PolarHBondContact O-N 3.35Å; L589-A591 PolarHBondContact O-N 3.37Å; L589-R592 PolarHBondContact O-N 3.36Å; L589-L593 HydrophobicContact CD1-CD1 3.95Å; L589-L593 HydrophobicContact CD1-CD2 4.49Å; L589-L593 HydrophobicContact CD1-CG 4.12Å; L589-L593 HydrophobicContact CG-CD1 3.95Å; L589-L593 HydrophobicContact CG-CG 4.44Å; L589-L593 WeakPolarHBondContact O-CG 3.49Å; L589-L593 PolarHBondContact O-N 3.36Å; L589-F657 HydrophobicContact CD1-CB 4.02Å; L589-F657 HydrophobicContact CD1-CD2 3.91Å; L589-F657 HydrophobicContact CD1-CG 4.01Å; L589-F665 HydrophobicContact CD2-CE1 4.33Å; L589-A668 HydrophobicContact CD2-CB 4.35Å; L589-V671 HydrophobicContact CD2-CB 4.3Å; L589-V671 HydrophobicContact CD2-CG1 4.11Å; L589-V671 HydrophobicContact CG-CG1 4.39Å |
| 590 | L | 89.1 | Confident | 85.4 | Confident | 87 Ų | 87 | 33.4 Ų | 33.4 | 46% | 0.455 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.3 | -43.2 | -178.3 | -71.5 | 170.7 | 0 | 0 | 0 | 112 | S586 I587 R592 L593 V594 V671 | S586-L590 WeakPolarHBondContact O-CB 3.3Å; S586-L590 WeakPolarHBondContact O-CD1 3.09Å; S586-L590 WeakPolarHBondContact O-CG 3.25Å; S586-L590 PolarHBondContact O-N 3.34Å; I587-L590 PolarHBondContact O-N 2.89Å; L590-R592 VanDerWaalsContact C-N 3.35Å; L590-R592 PolarHBondContact O-N 2.89Å; L590-L593 PolarHBondContact O-N 3.17Å; L590-V594 WeakPolarHBondContact O-CB 3.23Å; L590-V594 VanDerWaalsContact O-CG2 3.23Å; L590-V594 WeakPolarHBondContact O-CG2 3.36Å; L590-V594 PolarHBondContact O-N 2.87Å; L590-V671 HydrophobicContact CD2-CG1 3.77Å |
| 591 | A | 87 | Confident | 84.7 | Confident | 26 Ų | 26 | 36.3 Ų | 36.3 | 22% | 0.215 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.9 | -42.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F499 I587 L589 L595 | F499-A591 HydrophobicContact CD1-CB 4.01Å; F499-A591 HydrophobicContact CD2-CB 3.88Å; F499-A591 HydrophobicContact CE1-CB 3.74Å; F499-A591 HydrophobicContact CE2-CB 3.61Å; F499-A591 HydrophobicContact CG-CB 4.07Å; F499-A591 HydrophobicContact CZ-CB 3.53Å; I587-A591 WeakPolarHBondContact O-CB 3.33Å; I587-A591 PolarHBondContact O-N 3.04Å; L589-A591 PolarHBondContact O-N 3.37Å; A591-L595 WeakPolarHBondContact O-CB 2.99Å; A591-L595 PolarHBondContact O-N 3.28Å |
| 592 | R | 87.9 | Confident | 83.7 | Confident | 40 Ų | 40 | 37.8 Ų | 37.8 | 15% | 0.151 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -46.7 | 176 | -172.7 | 167.2 | 179.4 | 146.4 | 1.3 | 111.8 | F499 E540 E544 L588 L589 L590 L595 S596 I653 | F499-R592 HydrophobicContact CE2-CB 4.37Å; E540-R592 IonicContact OE2-NH2 3.11Å; E544-R592 IonicContact OE2-CZ 3.9Å; E544-R592 IonicContact OE2-NH1 2.59Å; E544-R592 PolarHBondContact OE2-NH1 2.87Å; L588-R592 VanDerWaalsContact O-CB 3.23Å; L588-R592 WeakPolarHBondContact O-CB 3.43Å; L588-R592 PolarHBondContact O-N 3.05Å; L589-R592 PolarHBondContact O-N 3.36Å; L590-R592 VanDerWaalsContact C-N 3.35Å; L590-R592 PolarHBondContact O-N 2.89Å; R592-L595 PolarHBondContact O-N 2.96Å; R592-S596 WeakPolarHBondContact O-CB 3.33Å; R592-S596 PolarHBondContact O-N 3.44Å; R592-I653 VanDerWaalsContact CZ-CG2 3.49Å; R592-I653 VanDerWaalsContact NH1-CG2 3.28Å |
| 593 | L | 87.9 | Confident | 82.7 | Confident | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.068 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65 | -43.3 | 179.1 | -64.6 | 178.8 | 0 | 0 | 0 | 112.1 | L589 L590 N597 V671 N675 | L589-L593 HydrophobicContact CD1-CD1 3.95Å; L589-L593 HydrophobicContact CD1-CD2 4.49Å; L589-L593 HydrophobicContact CD1-CG 4.12Å; L589-L593 HydrophobicContact CG-CD1 3.95Å; L589-L593 HydrophobicContact CG-CG 4.44Å; L589-L593 WeakPolarHBondContact O-CG 3.49Å; L589-L593 PolarHBondContact O-N 3.36Å; L590-L593 PolarHBondContact O-N 3.17Å; L593-N597 WeakPolarHBondContact O-CB 3.34Å; L593-N597 PolarHBondContact O-N 2.8Å; L593-N597 VanDerWaalsContact O-N 3.1Å; L593-N597 PolarHBondContact O-ND2 3.25Å; L593-V671 HydrophobicContact CD1-CG1 3.52Å; L593-N675 HydrophobicContact CD1-CB 4.03Å; L593-N675 HydrophobicContact CD2-CB 3.9Å; L593-N675 VanDerWaalsContact CD2-ND2 3.29Å; L593-N675 WeakPolarHBondContact CD2-ND2 3.48Å; L593-N675 HydrophobicContact CG-CB 4.41Å |
| 594 | V | 84.6 | Confident | 81.7 | Confident | 84 Ų | 84 | 42.3 Ų | 42.3 | 51% | 0.509 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66 | -45.4 | 176.8 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | L590 N597 M598 | L590-V594 WeakPolarHBondContact O-CB 3.23Å; L590-V594 VanDerWaalsContact O-CG2 3.23Å; L590-V594 WeakPolarHBondContact O-CG2 3.36Å; L590-V594 PolarHBondContact O-N 2.87Å; V594-N597 PolarHBondContact O-N 2.77Å; V594-M598 HydrophobicContact CG1-CG 3.95Å; V594-M598 VanDerWaalsContact O-CB 3.28Å; V594-M598 WeakPolarHBondContact O-CB 3.38Å; V594-M598 WeakPolarHBondContact O-CG 3.44Å; V594-M598 PolarHBondContact O-N 3.47Å |
| 595 | L | 83.9 | Confident | 80.6 | Confident | 57 Ų | 57 | 50 Ų | 50 | 30% | 0.298 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | -179.9 | -178.1 | 64.5 | 0 | 0 | 0 | 111.7 | F499 L503 A591 R592 N597 M598 L599 | F499-L595 HydrophobicContact CE1-CD2 4.3Å; F499-L595 HydrophobicContact CZ-CB 4.33Å; F499-L595 HydrophobicContact CZ-CD2 3.9Å; L503-L595 HydrophobicContact CD1-CD2 3.5Å; L503-L595 VanDerWaalsContact CD1-CD2 3.5Å; L503-L595 HydrophobicContact CD2-CD2 3.69Å; L503-L595 HydrophobicContact CG-CD2 4.25Å; A591-L595 WeakPolarHBondContact O-CB 2.99Å; A591-L595 PolarHBondContact O-N 3.28Å; R592-L595 PolarHBondContact O-N 2.96Å; L595-N597 PolarHBondContact O-N 3.13Å; L595-M598 PolarHBondContact O-N 3.18Å; L595-L599 HydrophobicContact CD1-CD1 3.95Å; L595-L599 HydrophobicContact CD1-CG 3.97Å; L595-L599 HydrophobicContact CG-CD1 3.87Å; L595-L599 HydrophobicContact CG-CG 4.28Å; L595-L599 WeakPolarHBondContact O-CB 3.28Å; L595-L599 VanDerWaalsContact O-CG 3.3Å; L595-L599 WeakPolarHBondContact O-CG 3.42Å; L595-L599 PolarHBondContact O-N 3.43Å |
| 596 | S | 78.3 | Confident | 79.6 | Confident | 20 Ų | 20 | 54.3 Ų | 54.3 | 14% | 0.14 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.7 | -51.3 | 174.8 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | R592 M598 L599 G600 E650 R682 | R592-S596 WeakPolarHBondContact O-CB 3.33Å; R592-S596 PolarHBondContact O-N 3.44Å; S596-M598 PolarHBondContact O-N 3.17Å; S596-L599 PolarHBondContact O-N 3.36Å; S596-G600 PolarHBondContact O-N 3.41Å; S596-E650 WeakPolarHBondContact CB-OE1 3.12Å; S596-E650 PolarHBondContact OG-OE1 3.4Å; S596-E650 PolarHBondContact OG-OE2 3.05Å; S596-R682 PolarHBondContact O-NH1 2.78Å; S596-R682 PolarHBondContact OG-NH1 3.39Å; S596-R682 PolarHBondContact OG-NH2 2.7Å |
| 597 | N | 81.3 | Confident | 78.7 | Confident | 21 Ų | 21 | 55.7 Ų | 55.7 | 11% | 0.112 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.9 | -38.6 | 179.8 | -75.4 | -46.1 | 0 | 0 | 0 | 113.5 | L593 V594 L595 T601 N675 R682 | L593-N597 WeakPolarHBondContact O-CB 3.34Å; L593-N597 PolarHBondContact O-N 2.8Å; L593-N597 VanDerWaalsContact O-N 3.1Å; L593-N597 PolarHBondContact O-ND2 3.25Å; V594-N597 PolarHBondContact O-N 2.77Å; L595-N597 PolarHBondContact O-N 3.13Å; N597-T601 VanDerWaalsContact O-CB 3.23Å; N597-T601 WeakPolarHBondContact O-CB 3.49Å; N597-T601 PolarHBondContact O-N 3.3Å; N597-T601 PolarHBondContact O-OG1 2.98Å; N597-N675 PolarHBondContact ND2-OD1 3.47Å; N597-R682 VanDerWaalsContact CA-NH1 3.28Å; N597-R682 PolarHBondContact OD1-NH1 3.03Å |
| 598 | M | 76.2 | Confident | 77.9 | Confident | 113 Ų | 113 | 59 Ų | 59 | 56% | 0.557 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -71.8 | -41.1 | 178 | -73.7 | -61.5 | 98.9 | 0 | 0 | 112.3 | V594 L595 S596 G602 | V594-M598 HydrophobicContact CG1-CG 3.95Å; V594-M598 VanDerWaalsContact O-CB 3.28Å; V594-M598 WeakPolarHBondContact O-CB 3.38Å; V594-M598 WeakPolarHBondContact O-CG 3.44Å; V594-M598 PolarHBondContact O-N 3.47Å; L595-M598 PolarHBondContact O-N 3.18Å; S596-M598 PolarHBondContact O-N 3.17Å; M598-G602 WeakPolarHBondContact O-CA 3.48Å; M598-G602 PolarHBondContact O-N 3.44Å |
| 599 | L | 75.5 | Confident | 77.3 | Confident | 94 Ų | 94 | 62.1 Ų | 62.1 | 49% | 0.492 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.9 | -47 | 175.1 | -74.2 | 175.3 | 0 | 0 | 0 | 110.2 | L595 S596 M603 | L595-L599 HydrophobicContact CD1-CD1 3.95Å; L595-L599 HydrophobicContact CD1-CG 3.97Å; L595-L599 HydrophobicContact CG-CD1 3.87Å; L595-L599 HydrophobicContact CG-CG 4.28Å; L595-L599 WeakPolarHBondContact O-CB 3.28Å; L595-L599 VanDerWaalsContact O-CG 3.3Å; L595-L599 WeakPolarHBondContact O-CG 3.42Å; L595-L599 PolarHBondContact O-N 3.43Å; S596-L599 PolarHBondContact O-N 3.36Å; L599-M603 HydrophobicContact CB-CE 4.03Å; L599-M603 VanDerWaalsContact O-CB 3.26Å; L599-M603 WeakPolarHBondContact O-CB 3.25Å; L599-M603 WeakPolarHBondContact O-CE 3.35Å; L599-M603 WeakPolarHBondContact O-CG 3.46Å; L599-M603 PolarHBondContact O-N 3.38Å |
| 600 | G | 68.6 | Low | 76.6 | Confident | 24 Ų | 24 | 66.8 Ų | 66.8 | 25% | 0.247 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.2 | -56.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S596 E604 | S596-G600 PolarHBondContact O-N 3.41Å; G600-E604 PolarHBondContact O-N 3.08Å |
| 601 | T | 70.8 | Confident | 75.6 | Confident | 66 Ų | 66 | 67.3 Ų | 67.3 | 41% | 0.405 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -70.6 | -38.3 | -177 | -51.4 | 0 | 0 | 0 | 0 | 112.1 | N597 E604 W605 | N597-T601 VanDerWaalsContact O-CB 3.23Å; N597-T601 WeakPolarHBondContact O-CB 3.49Å; N597-T601 PolarHBondContact O-N 3.3Å; N597-T601 PolarHBondContact O-OG1 2.98Å; T601-E604 PolarHBondContact O-N 3.29Å; T601-W605 WeakPolarHBondContact O-CB 3.47Å; T601-W605 PolarHBondContact O-N 3.07Å |
| 602 | G | 68.5 | Low | 74.9 | Confident | 31 Ų | 31 | 72.5 Ų | 72.5 | 32% | 0.32 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M598 W605 M606 | M598-G602 WeakPolarHBondContact O-CA 3.48Å; M598-G602 PolarHBondContact O-N 3.44Å; G602-W605 PolarHBondContact O-N 3.44Å; G602-M606 WeakPolarHBondContact O-CB 3.12Å; G602-M606 PolarHBondContact O-N 2.94Å |
| 603 | M | 68.6 | Low | 74.4 | Confident | 98 Ų | 98 | 74.3 Ų | 74.3 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 172.8 | -76.1 | -174.5 | -81.6 | 0 | 0 | 111.5 | L599 W605 M606 N607 | L599-M603 HydrophobicContact CB-CE 4.03Å; L599-M603 VanDerWaalsContact O-CB 3.26Å; L599-M603 WeakPolarHBondContact O-CB 3.25Å; L599-M603 WeakPolarHBondContact O-CE 3.35Å; L599-M603 WeakPolarHBondContact O-CG 3.46Å; L599-M603 PolarHBondContact O-N 3.38Å; M603-W605 PolarHBondContact O-N 3.43Å; M603-M606 PolarHBondContact O-N 3.48Å; M603-N607 WeakPolarHBondContact O-CB 3.44Å; M603-N607 PolarHBondContact O-N 3.29Å |
| 604 | E | 66.9 | Low | 73.3 | Confident | 39 Ų | 39 | 81.7 Ų | 81.7 | 18% | 0.182 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65 | -37.4 | 175.4 | -69.3 | -170.9 | 161.1 | 0 | 0 | 113.2 | G600 T601 R608 K685 | G600-E604 PolarHBondContact O-N 3.08Å; T601-E604 PolarHBondContact O-N 3.29Å; E604-R608 WeakPolarHBondContact O-CB 3.4Å; E604-R608 VanDerWaalsContact O-CG 3.3Å; E604-R608 WeakPolarHBondContact O-CG 3.24Å; E604-R608 PolarHBondContact O-N 3.49Å; E604-R608 VanDerWaalsContact O-N 3.12Å; E604-R608 PolarHBondContact O-NE 2.93Å; E604-R608 IonicContact OE2-NH2 3.49Å; E604-K685 IonicContact OE1-NZ 3.82Å; E604-K685 WeakPolarHBondContact OE2-CE 3.04Å; E604-K685 IonicContact OE2-NZ 3.34Å; E604-K685 PolarHBondContact OE2-NZ 3.07Å |
| 605 | W | 68.9 | Low | 72.5 | Confident | 161 Ų | 161 | 83.3 Ų | 83.3 | 61% | 0.61 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -70.8 | -43.2 | 177.3 | -177.2 | 80.3 | 0 | 0 | 0 | 111.2 | T601 G602 M603 R608 L609 | T601-W605 WeakPolarHBondContact O-CB 3.47Å; T601-W605 PolarHBondContact O-N 3.07Å; G602-W605 PolarHBondContact O-N 3.44Å; M603-W605 PolarHBondContact O-N 3.43Å; W605-R608 PolarHBondContact O-N 2.86Å; W605-L609 HydrophobicContact CD2-CD1 3.8Å; W605-L609 HydrophobicContact CD2-CG 4.14Å; W605-L609 HydrophobicContact CE3-CD1 3.62Å; W605-L609 HydrophobicContact CE3-CG 4.37Å; W605-L609 HydrophobicContact CH2-CD1 3.29Å; W605-L609 HydrophobicContact CH2-CG 4.44Å; W605-L609 HydrophobicContact CZ2-CD1 3.46Å; W605-L609 VanDerWaalsContact CZ2-CD1 3.46Å; W605-L609 HydrophobicContact CZ2-CD2 4.43Å; W605-L609 HydrophobicContact CZ2-CG 4.18Å; W605-L609 HydrophobicContact CZ3-CD1 3.36Å; W605-L609 WeakPolarHBondContact O-CG 3.37Å; W605-L609 PolarHBondContact O-N 3.48Å |
| 606 | M | 69.9 | Low | 71.9 | Confident | 94 Ų | 94 | 86.6 Ų | 86.6 | 46% | 0.463 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.1 | -48.1 | 174.6 | -176.5 | -179.8 | 68.3 | 0 | 0 | 111.1 | G602 M603 R608 L609 L610 | G602-M606 WeakPolarHBondContact O-CB 3.12Å; G602-M606 PolarHBondContact O-N 2.94Å; M603-M606 PolarHBondContact O-N 3.48Å; M606-R608 VanDerWaalsContact C-N 3.32Å; M606-R608 PolarHBondContact O-N 2.85Å; M606-L609 CarbonylContact O-C 3.58Å; M606-L609 WeakPolarHBondContact O-CB 3.31Å; M606-L609 PolarHBondContact O-N 2.67Å; M606-L609 VanDerWaalsContact O-N 3.12Å; M606-L610 HydrophobicContact CG-CD1 4.05Å; M606-L610 HydrophobicContact CG-CG 4.36Å; M606-L610 WeakPolarHBondContact O-CB 3.32Å; M606-L610 VanDerWaalsContact O-CG 3.31Å; M606-L610 WeakPolarHBondContact O-CG 3.31Å; M606-L610 PolarHBondContact O-N 2.96Å |
| 607 | N | 70.5 | Confident | 71.3 | Confident | 54 Ų | 54 | 95.4 Ų | 95.4 | 29% | 0.289 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 176.7 | -75.8 | -5.3 | 0 | 0 | 0 | 111.4 | M603 L609 L610 D611 E637 | M603-N607 WeakPolarHBondContact O-CB 3.44Å; M603-N607 PolarHBondContact O-N 3.29Å; N607-L609 VanDerWaalsContact C-N 3.34Å; N607-L609 PolarHBondContact O-N 3.21Å; N607-L610 PolarHBondContact O-N 2.92Å; N607-D611 WeakPolarHBondContact O-CB 3.26Å; N607-D611 VanDerWaalsContact O-CG 3.23Å; N607-D611 PolarHBondContact O-N 3.32Å; N607-E637 PolarHBondContact ND2-OE1 3.43Å |
| 608 | R | 70.8 | Confident | 70.3 | Confident | 116 Ų | 116 | 96.5 Ų | 96.5 | 44% | 0.438 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.9 | -35.2 | 174.6 | -77.7 | 178.8 | -75.4 | -169.8 | -1.4 | 113.5 | E604 W605 M606 K612 | E604-R608 WeakPolarHBondContact O-CB 3.4Å; E604-R608 VanDerWaalsContact O-CG 3.3Å; E604-R608 WeakPolarHBondContact O-CG 3.24Å; E604-R608 PolarHBondContact O-N 3.49Å; E604-R608 VanDerWaalsContact O-N 3.12Å; E604-R608 PolarHBondContact O-NE 2.93Å; E604-R608 IonicContact OE2-NH2 3.49Å; W605-R608 PolarHBondContact O-N 2.86Å; M606-R608 VanDerWaalsContact C-N 3.32Å; M606-R608 PolarHBondContact O-N 2.85Å; R608-K612 WeakPolarHBondContact O-CB 3.44Å; R608-K612 WeakPolarHBondContact O-CG 3.39Å; R608-K612 PolarHBondContact O-N 3.35Å |
| 609 | L | 77.6 | Confident | 69.2 | Low | 64 Ų | 64 | 102.2 Ų | 102.2 | 34% | 0.335 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.8 | -43.1 | 173.6 | -76.7 | -175.2 | 0 | 0 | 0 | 111.4 | W605 M606 N607 D611 K612 C613 | W605-L609 HydrophobicContact CD2-CD1 3.8Å; W605-L609 HydrophobicContact CD2-CG 4.14Å; W605-L609 HydrophobicContact CE3-CD1 3.62Å; W605-L609 HydrophobicContact CE3-CG 4.37Å; W605-L609 HydrophobicContact CH2-CD1 3.29Å; W605-L609 HydrophobicContact CH2-CG 4.44Å; W605-L609 HydrophobicContact CZ2-CD1 3.46Å; W605-L609 VanDerWaalsContact CZ2-CD1 3.46Å; W605-L609 HydrophobicContact CZ2-CD2 4.43Å; W605-L609 HydrophobicContact CZ2-CG 4.18Å; W605-L609 HydrophobicContact CZ3-CD1 3.36Å; W605-L609 WeakPolarHBondContact O-CG 3.37Å; W605-L609 PolarHBondContact O-N 3.48Å; M606-L609 CarbonylContact O-C 3.58Å; M606-L609 WeakPolarHBondContact O-CB 3.31Å; M606-L609 PolarHBondContact O-N 2.67Å; M606-L609 VanDerWaalsContact O-N 3.12Å; N607-L609 VanDerWaalsContact C-N 3.34Å; N607-L609 PolarHBondContact O-N 3.21Å; L609-D611 VanDerWaalsContact C-N 3.33Å; L609-K612 PolarHBondContact O-N 3.35Å; L609-C613 VanDerWaalsContact O-CB 3.3Å; L609-C613 WeakPolarHBondContact O-CB 3.43Å; L609-C613 PolarHBondContact O-N 2.99Å; L609-C613 PolarHBondContact O-SG 2.87Å |
| 610 | L | 75.8 | Confident | 67.8 | Low | 100 Ų | 100 | 106.4 Ų | 106.4 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 175.4 | -71 | 173.3 | 0 | 0 | 0 | 110.6 | M606 N607 C613 W614 | M606-L610 HydrophobicContact CG-CD1 4.05Å; M606-L610 HydrophobicContact CG-CG 4.36Å; M606-L610 WeakPolarHBondContact O-CB 3.32Å; M606-L610 VanDerWaalsContact O-CG 3.31Å; M606-L610 WeakPolarHBondContact O-CG 3.31Å; M606-L610 PolarHBondContact O-N 2.96Å; N607-L610 PolarHBondContact O-N 2.92Å; L610-C613 PolarHBondContact O-N 3.39Å; L610-W614 WeakPolarHBondContact O-CB 3.46Å; L610-W614 PolarHBondContact O-N 3.13Å |
| 611 | D | 68.9 | Low | 66.4 | Low | 99 Ų | 99 | 111 Ų | 111 | 53% | 0.529 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 174.5 | -71.9 | -20.9 | 0 | 0 | 0 | 111.5 | N607 L609 W614 L615 | N607-D611 WeakPolarHBondContact O-CB 3.26Å; N607-D611 VanDerWaalsContact O-CG 3.23Å; N607-D611 PolarHBondContact O-N 3.32Å; L609-D611 VanDerWaalsContact C-N 3.33Å; D611-W614 PolarHBondContact O-N 2.98Å; D611-L615 WeakPolarHBondContact O-CB 3.26Å; D611-L615 WeakPolarHBondContact O-CG 3.39Å; D611-L615 PolarHBondContact O-N 3.46Å |
| 612 | K | 72.3 | Confident | 65.1 | Low | 135 Ų | 135 | 112.4 Ų | 112.4 | 59% | 0.587 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.2 | -45.6 | 175.2 | -79.7 | -178.6 | 178.2 | -174.4 | 0 | 112.1 | R608 L609 W614 L615 I616 | R608-K612 WeakPolarHBondContact O-CB 3.44Å; R608-K612 WeakPolarHBondContact O-CG 3.39Å; R608-K612 PolarHBondContact O-N 3.35Å; L609-K612 PolarHBondContact O-N 3.35Å; K612-W614 VanDerWaalsContact C-N 3.3Å; K612-W614 PolarHBondContact O-N 2.98Å; K612-L615 PolarHBondContact O-N 3.36Å; K612-I616 WeakPolarHBondContact O-CB 3.44Å; K612-I616 VanDerWaalsContact O-CG1 3.23Å; K612-I616 WeakPolarHBondContact O-CG1 3.37Å; K612-I616 PolarHBondContact O-N 3.46Å |
| 613 | C | 76.3 | Confident | 64.1 | Low | 77 Ų | 77 | 118.6 Ų | 118.6 | 52% | 0.52 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.1 | -39 | 176.4 | -73.4 | 0 | 0 | 0 | 0 | 111.1 | L609 L610 I616 Y617 | L609-C613 VanDerWaalsContact O-CB 3.3Å; L609-C613 WeakPolarHBondContact O-CB 3.43Å; L609-C613 PolarHBondContact O-N 2.99Å; L609-C613 PolarHBondContact O-SG 2.87Å; L610-C613 PolarHBondContact O-N 3.39Å; C613-I616 PolarHBondContact O-N 3.4Å; C613-Y617 VanDerWaalsContact O-CB 3.22Å; C613-Y617 WeakPolarHBondContact O-CB 3.32Å; C613-Y617 PolarHBondContact O-N 3.31Å |
| 614 | W | 66.1 | Low | 63.4 | Low | 168 Ų | 168 | 123.5 Ų | 123.5 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.1 | -39.8 | 176.6 | -167.9 | 83.8 | 0 | 0 | 0 | 111.6 | L610 D611 K612 Y617 S618 | L610-W614 WeakPolarHBondContact O-CB 3.46Å; L610-W614 PolarHBondContact O-N 3.13Å; D611-W614 PolarHBondContact O-N 2.98Å; K612-W614 VanDerWaalsContact C-N 3.3Å; K612-W614 PolarHBondContact O-N 2.98Å; W614-Y617 PolarHBondContact O-N 2.93Å; W614-S618 WeakPolarHBondContact O-CA 3.33Å; W614-S618 WeakPolarHBondContact O-CB 3.36Å; W614-S618 PolarHBondContact O-N 2.85Å |
| 615 | L | 67 | Low | 63.1 | Low | 119 Ų | 119 | 125.7 Ų | 125.7 | 62% | 0.623 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64 | -42.2 | 172.7 | -74.1 | 166.3 | 0 | 0 | 0 | 112 | D611 K612 S618 | D611-L615 WeakPolarHBondContact O-CB 3.26Å; D611-L615 WeakPolarHBondContact O-CG 3.39Å; D611-L615 PolarHBondContact O-N 3.46Å; K612-L615 PolarHBondContact O-N 3.36Å; L615-S618 PolarHBondContact O-N 3.18Å |
| 616 | I | 70.8 | Confident | 63.3 | Low | 125 Ų | 125 | 123.3 Ų | 123.3 | 64% | 0.641 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.6 | -40.8 | 176.6 | -68.2 | 164.4 | 0 | 0 | 0 | 110.9 | K612 C613 R619 | K612-I616 WeakPolarHBondContact O-CB 3.44Å; K612-I616 VanDerWaalsContact O-CG1 3.23Å; K612-I616 WeakPolarHBondContact O-CG1 3.37Å; K612-I616 PolarHBondContact O-N 3.46Å; C613-I616 PolarHBondContact O-N 3.4Å; I616-R619 WeakPolarHBondContact O-CB 3.14Å |
| 617 | Y | 65.3 | Low | 63.6 | Low | 206 Ų | 206 | 124.6 Ų | 124.6 | 81% | 0.808 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -71.5 | -37.2 | 177.8 | -174.2 | -98.9 | 0 | 0 | 0 | 112 | C613 W614 R619 | C613-Y617 VanDerWaalsContact O-CB 3.22Å; C613-Y617 WeakPolarHBondContact O-CB 3.32Å; C613-Y617 PolarHBondContact O-N 3.31Å; W614-Y617 PolarHBondContact O-N 2.93Å; Y617-R619 PolarHBondContact O-N 2.94Å |
| 618 | S | 60.6 | Low | 64.4 | Low | 44 Ų | 44 | 124.9 Ų | 124.9 | 31% | 0.308 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.2 | 33.6 | 176.4 | -172.7 | 0 | 0 | 0 | 0 | 112.6 | W614 L615 K620 | W614-S618 WeakPolarHBondContact O-CA 3.33Å; W614-S618 WeakPolarHBondContact O-CB 3.36Å; W614-S618 PolarHBondContact O-N 2.85Å; L615-S618 PolarHBondContact O-N 3.18Å; S618-K620 CarbonylContact O-C 3.6Å; S618-K620 PolarHBondContact O-N 3.47Å |
| 619 | R | 53.6 | Low | 65.1 | Low | 232 Ų | 232 | 121 Ų | 121 | 88% | 0.875 | 59% | 0.588 | S | S | * | * | trans | -59.2 | 9.8 | 179.1 | -142.9 | 172.8 | 162.7 | 176.1 | -5.2 | 115.3 | I616 Y617 S621 | I616-R619 WeakPolarHBondContact O-CB 3.14Å; Y617-R619 PolarHBondContact O-N 2.94Å; R619-S621 PolarHBondContact O-N 2.81Å | ||
| 620 | K | 45.3 | Very low | 65.7 | Low | 183 Ų | 183 | 118.9 Ų | 118.9 | 80% | 0.796 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -71 | 117.3 | 155.1 | -82.6 | -176.2 | 174.5 | -179.4 | 0 | 108.2 | S618 S622 | S618-K620 CarbonylContact O-C 3.6Å; S618-K620 PolarHBondContact O-N 3.47Å; K620-S622 PolarHBondContact O-N 2.96Å |
| 621 | S | 40.9 | Very low | 66.2 | Low | 120 Ų | 120 | 115.5 Ų | 115.5 | 84% | 0.839 | 56% | 0.556 | S | S | * | * | trans | -42.8 | 81.5 | 163.8 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | R619 H623 | R619-S621 PolarHBondContact O-N 2.81Å; S621-H623 PolarHBondContact O-N 2.9Å | ||
| 622 | S | 42.5 | Very low | 67 | Low | 95 Ų | 95 | 113 Ų | 113 | 66% | 0.664 | 54% | 0.541 | S | S | * | . | trans | -84.2 | 113.5 | 166.5 | -171.3 | 0 | 0 | 0 | 0 | 104.9 | K620 Y624 | K620-S622 PolarHBondContact O-N 2.96Å; S622-Y624 PolarHBondContact O-N 2.59Å | ||
| 623 | H | 47 | Very low | 67.8 | Low | 162 Ų | 162 | 106.7 Ų | 106.7 | 75% | 0.75 | 51% | 0.513 | S | S | * | . | trans | -38 | 128 | 161.2 | -100 | -95.4 | 0 | 0 | 0 | 108.1 | S621 V625 | S621-H623 PolarHBondContact O-N 2.9Å; H623-V625 HydrophobicContact CB-CG2 4.39Å; H623-V625 PolarHBondContact O-N 3.18Å | ||
| 624 | Y | 53.6 | Low | 68.3 | Low | 201 Ų | 201 | 103.1 Ų | 103.1 | 79% | 0.788 | 49% | 0.489 | S | S | * | . | trans | -67.4 | 86.4 | 173.4 | -162.3 | -88.3 | 0 | 0 | 0 | 106.8 | S622 D626 | S622-Y624 PolarHBondContact O-N 2.59Å; Y624-D626 PolarHBondContact O-N 3.32Å | ||
| 625 | V | 62.3 | Low | 69.2 | Low | 84 Ų | 84 | 100.2 Ų | 100.2 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | trans | -75.2 | 106.7 | 174 | -179.4 | 0 | 0 | 0 | 0 | 105.4 | H623 Y627 | H623-V625 HydrophobicContact CB-CG2 4.39Å; H623-V625 PolarHBondContact O-N 3.18Å; V625-Y627 HydrophobicContact CB-CE1 4.49Å; V625-Y627 HydrophobicContact CG1-CD1 4.32Å; V625-Y627 HydrophobicContact CG1-CE1 4.08Å; V625-Y627 WeakPolarHBondContact O-CD2 3.39Å; V625-Y627 PolarHBondContact O-N 3.41Å | ||
| 626 | D | 71.5 | Confident | 70 | Confident | 112 Ų | 112 | 96.6 Ų | 96.6 | 60% | 0.599 | 47% | 0.467 | S | S | * | . | trans | -66.7 | 101.4 | 174.4 | -171.2 | 29.9 | 0 | 0 | 0 | 108.8 | Y624 K632 | Y624-D626 PolarHBondContact O-N 3.32Å; D626-K632 VanDerWaalsContact OD1-CE 3.31Å; D626-K632 WeakPolarHBondContact OD1-CE 3.5Å; D626-K632 IonicContact OD1-NZ 3.93Å; D626-K632 PolarHBondContact OD1-NZ 2.82Å | ||
| 627 | Y | 78.1 | Confident | 70.6 | Confident | 121 Ų | 121 | 95.7 Ų | 95.7 | 48% | 0.475 | 46% | 0.46 | S | S | . | . | trans | -73.7 | 144.8 | 179 | -70.1 | -65.7 | 0 | 0 | 0 | 110.3 | V625 R631 K632 | V625-Y627 HydrophobicContact CB-CE1 4.49Å; V625-Y627 HydrophobicContact CG1-CD1 4.32Å; V625-Y627 HydrophobicContact CG1-CE1 4.08Å; V625-Y627 WeakPolarHBondContact O-CD2 3.39Å; V625-Y627 PolarHBondContact O-N 3.41Å; Y627-R631 HydrophobicContact CD1-CG 3.92Å; Y627-R631 HydrophobicContact CG-CG 3.93Å; Y627-K632 WeakPolarHBondContact O-CE 3.42Å | ||
| 628 | P | 85.7 | Confident | 71.5 | Confident | 60 Ų | 60 | 93.5 Ų | 93.5 | 39% | 0.39 | 46% | 0.455 | S | S | . | . | trans | -61.6 | 155.4 | 175.2 | 27.7 | -35.9 | 0 | 0 | 0 | 111.4 | W630 R631 K632 | P628-W630 VanDerWaalsContact C-N 3.3Å; P628-W630 HydrophobicContact CB-CZ2 4.35Å; P628-W630 HydrophobicContact CG-CD2 4.05Å; P628-W630 HydrophobicContact CG-CH2 4.08Å; P628-W630 HydrophobicContact CG-CZ2 3.35Å; P628-W630 PolarHBondContact O-N 2.92Å; P628-R631 HydrophobicContact CG-CB 4.08Å; P628-R631 WeakPolarHBondContact O-CA 2.98Å; P628-R631 VanDerWaalsContact O-CB 3.3Å; P628-R631 WeakPolarHBondContact O-CB 3.48Å; P628-R631 PolarHBondContact O-N 3.41Å; P628-K632 PolarHBondContact O-N 3.42Å | ||
| 629 | Q | 86.8 | Confident | 72.5 | Confident | 33 Ų | 33 | 91.9 Ų | 91.9 | 15% | 0.154 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -56 | -40.4 | -171.1 | -170.7 | 57.4 | 35.8 | 0 | 0 | 113.9 | V219 H220 G222 D223 R631 K632 D633 | V219-Q629 HydrophobicContact CG1-CB 4.23Å; V219-Q629 HydrophobicContact CG1-CG 4.05Å; H220-Q629 HydrophobicContact CB-CG 4.18Å; H220-Q629 WeakPolarHBondContact O-CG 3.42Å; G222-Q629 VanDerWaalsContact C-CD 3.45Å; G222-Q629 VanDerWaalsContact C-OE1 3.23Å; G222-Q629 PolarHBondContact O-NE2 2.83Å; D223-Q629 VanDerWaalsContact N-OE1 3.15Å; Q629-R631 PolarHBondContact O-N 3.43Å; Q629-K632 WeakPolarHBondContact O-CB 3.41Å; Q629-K632 PolarHBondContact O-N 3.36Å; Q629-K632 VanDerWaalsContact O-N 3.12Å; Q629-D633 PolarHBondContact NE2-OD1 3.48Å; Q629-D633 WeakPolarHBondContact O-CB 3.36Å; Q629-D633 VanDerWaalsContact O-CG 3.32Å; Q629-D633 PolarHBondContact O-N 3.47Å |
| 630 | W | 88.8 | Confident | 73.4 | Confident | 20 Ų | 20 | 85.9 Ų | 85.9 | 8% | 0.076 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.9 | -30.2 | 175.6 | 57.4 | -99.9 | 0 | 0 | 0 | 113.1 | V49 K79 I81 I90 L92 Y217 V219 P628 L634 | V49-W630 HydrophobicContact CG2-CB 3.72Å; K79-W630 HydrophobicContact CD-CH2 4.21Å; K79-W630 HydrophobicContact CD-CZ2 3.76Å; I81-W630 HydrophobicContact CG2-CH2 4.42Å; I90-W630 HydrophobicContact CD1-CE3 3.75Å; I90-W630 HydrophobicContact CD1-CH2 4.13Å; I90-W630 HydrophobicContact CD1-CZ3 3.21Å; I90-W630 HydrophobicContact CG2-CE3 4.36Å; I90-W630 HydrophobicContact CG2-CZ3 4.41Å; L92-W630 HydrophobicContact CD2-CB 4.4Å; L92-W630 HydrophobicContact CD2-CD2 4Å; L92-W630 HydrophobicContact CD2-CG 3.94Å; Y217-W630 PolarHBondContact OH-O 3.07Å; V219-W630 HydrophobicContact CG1-CB 3.95Å; V219-W630 HydrophobicContact CG2-CB 4.06Å; P628-W630 VanDerWaalsContact C-N 3.3Å; P628-W630 HydrophobicContact CB-CZ2 4.35Å; P628-W630 HydrophobicContact CG-CD2 4.05Å; P628-W630 HydrophobicContact CG-CH2 4.08Å; P628-W630 HydrophobicContact CG-CZ2 3.35Å; P628-W630 PolarHBondContact O-N 2.92Å; W630-L634 PolarHBondContact O-N 3.26Å |
| 631 | R | 87.8 | Confident | 74.8 | Confident | 29 Ų | 29 | 79.5 Ų | 79.5 | 11% | 0.109 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -78.4 | -37.6 | 177.7 | -177.7 | 56.7 | 170.5 | 170.4 | -5.6 | 111.2 | Q82 Y627 P628 Q629 L634 | Q82-R631 PolarHBondContact O-NH2 2.94Å; Y627-R631 HydrophobicContact CD1-CG 3.92Å; Y627-R631 HydrophobicContact CG-CG 3.93Å; P628-R631 HydrophobicContact CG-CB 4.08Å; P628-R631 WeakPolarHBondContact O-CA 2.98Å; P628-R631 VanDerWaalsContact O-CB 3.3Å; P628-R631 WeakPolarHBondContact O-CB 3.48Å; P628-R631 PolarHBondContact O-N 3.41Å; Q629-R631 PolarHBondContact O-N 3.43Å; R631-L634 PolarHBondContact O-N 2.96Å |
| 632 | K | 85.6 | Confident | 76 | Confident | 48 Ų | 48 | 75.9 Ų | 75.9 | 21% | 0.209 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 172 | -65.4 | 178.5 | 174.6 | 173.4 | 0 | 110.6 | D223 D626 Y627 P628 Q629 L634 N635 | D223-K632 IonicContact OD2-NZ 2.67Å; D223-K632 PolarHBondContact OD2-NZ 2.95Å; D626-K632 VanDerWaalsContact OD1-CE 3.31Å; D626-K632 WeakPolarHBondContact OD1-CE 3.5Å; D626-K632 IonicContact OD1-NZ 3.93Å; D626-K632 PolarHBondContact OD1-NZ 2.82Å; Y627-K632 WeakPolarHBondContact O-CE 3.42Å; P628-K632 PolarHBondContact O-N 3.42Å; Q629-K632 WeakPolarHBondContact O-CB 3.41Å; Q629-K632 PolarHBondContact O-N 3.36Å; Q629-K632 VanDerWaalsContact O-N 3.12Å; K632-L634 VanDerWaalsContact C-N 3.29Å; K632-L634 PolarHBondContact O-N 2.7Å; K632-N635 PolarHBondContact O-N 3.33Å |
| 633 | D | 88.1 | Confident | 77.5 | Confident | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.6 | -26.7 | -179.4 | -70.5 | -10.1 | 0 | 0 | 0 | 113.8 | Y217 V219 H220 R239 Q629 N635 L636 R691 | Y217-D633 HydrophobicContact CD2-CB 4.39Å; Y217-D633 HydrophobicContact CE2-CB 3.83Å; V219-D633 WeakPolarHBondContact CG1-OD2 3.44Å; H220-D633 WeakPolarHBondContact CB-OD2 3.45Å; H220-D633 IonicContact CD2-OD1 3.86Å; H220-D633 PolarHBondContact CD2-OD1 3.25Å; H220-D633 IonicContact CD2-OD2 2.72Å; H220-D633 PolarHBondContact CD2-OD2 2.96Å; H220-D633 IonicContact CG-OD2 3.82Å; H220-D633 PolarHBondContact N-OD2 3.26Å; R239-D633 IonicContact NH1-OD1 3.83Å; R239-D633 PolarHBondContact NH1-OD1 2.89Å; Q629-D633 PolarHBondContact NE2-OD1 3.48Å; Q629-D633 WeakPolarHBondContact O-CB 3.36Å; Q629-D633 VanDerWaalsContact O-CG 3.32Å; Q629-D633 PolarHBondContact O-N 3.47Å; D633-N635 PolarHBondContact O-N 2.92Å; D633-L636 HydrophobicContact CB-CD1 4.46Å; D633-L636 WeakPolarHBondContact O-CB 3.21Å; D633-L636 PolarHBondContact O-N 3.41Å; D633-L636 VanDerWaalsContact O-N 3.14Å; D633-R691 PolarHBondContact O-NE 3.34Å |
| 634 | L | 87.4 | Confident | 79.4 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.016 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.2 | -35 | 174.4 | -172 | 65.1 | 0 | 0 | 0 | 112.1 | T51 I81 Y83 Y217 W630 R631 K632 L636 R691 | T51-L634 HydrophobicContact CG2-CD1 3.73Å; I81-L634 HydrophobicContact CD1-CD2 4.43Å; Y83-L634 HydrophobicContact CD1-CD2 4.28Å; Y83-L634 HydrophobicContact CD2-CD2 3.92Å; Y83-L634 HydrophobicContact CE1-CD2 4.27Å; Y83-L634 HydrophobicContact CE2-CD2 3.91Å; Y83-L634 HydrophobicContact CE2-CG 4.23Å; Y83-L634 HydrophobicContact CG-CD2 4.1Å; Y217-L634 HydrophobicContact CE1-CD1 3.8Å; Y217-L634 WeakPolarHBondContact OH-CB 3.14Å; W630-L634 PolarHBondContact O-N 3.26Å; R631-L634 PolarHBondContact O-N 2.96Å; K632-L634 VanDerWaalsContact C-N 3.29Å; K632-L634 PolarHBondContact O-N 2.7Å; L634-L636 PolarHBondContact O-N 3.04Å; L634-R691 PolarHBondContact O-NH2 2.91Å |
| 635 | N | 84.1 | Confident | 81 | Confident | 106 Ų | 106 | 54.7 Ų | 54.7 | 57% | 0.567 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -12.3 | 178.7 | -65.5 | -14.3 | 0 | 0 | 0 | 112.4 | Y83 K632 D633 | Y83-N635 WeakPolarHBondContact CE2-OD1 3.43Å; K632-N635 PolarHBondContact O-N 3.33Å; D633-N635 PolarHBondContact O-N 2.92Å |
| 636 | L | 85.1 | Confident | 82.2 | Confident | 43 Ų | 43 | 53.4 Ų | 53.4 | 23% | 0.225 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -76.7 | 142.2 | 177.6 | -57.4 | 179.8 | 0 | 0 | 0 | 111 | D633 L634 N689 R691 | D633-L636 HydrophobicContact CB-CD1 4.46Å; D633-L636 WeakPolarHBondContact O-CB 3.21Å; D633-L636 PolarHBondContact O-N 3.41Å; D633-L636 VanDerWaalsContact O-N 3.14Å; L634-L636 PolarHBondContact O-N 3.04Å; L636-N689 WeakPolarHBondContact CD2-O 3.35Å; L636-R691 HydrophobicContact CB-CB 4.12Å; L636-R691 PolarHBondContact O-NE 3.35Å; L636-R691 PolarHBondContact O-NH2 3.47Å |
| 637 | E | 83.2 | Confident | 83.1 | Confident | 107 Ų | 107 | 48.3 Ų | 48.3 | 50% | 0.5 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -65 | 141.3 | 175 | -67.5 | -179.2 | -163.2 | 0 | 0 | 111 | N607 R691 | N607-E637 PolarHBondContact ND2-OE1 3.43Å; E637-R691 WeakPolarHBondContact O-CB 3.47Å; E637-R691 PolarHBondContact O-N 3.44Å |
| 638 | K | 83.8 | Confident | 83.8 | Confident | 159 Ų | 159 | 42.8 Ų | 42.8 | 69% | 0.691 | 21% | 0.21 | S | C | * | . | B | Isolated β-bridge | trans | -80.8 | 130.4 | 174.2 | -178.1 | -175.5 | 175.9 | -177.1 | 0 | 108.7 | E640 | K638-E640 PolarHBondContact O-N 3.42Å |
| 639 | L | 81.8 | Confident | 84.1 | Confident | 10 Ų | 10 | 40.2 Ų | 40.2 | 5% | 0.052 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 131.9 | 172.4 | -68.6 | 165.5 | 0 | 0 | 0 | 111.3 | Y641 K686 M687 H690 P693 | L639-Y641 PolarHBondContact O-N 3.09Å; L639-K686 HydrophobicContact CD2-CD 4.44Å; L639-K686 HydrophobicContact CD2-CG 4.14Å; L639-M687 HydrophobicContact CD1-CE 4.07Å; L639-M687 HydrophobicContact CD1-SD 3.61Å; L639-H690 HydrophobicContact CD1-CB 4.19Å; L639-H690 HydrophobicContact CD2-CB 3.75Å; L639-H690 HydrophobicContact CG-CB 3.7Å; L639-P693 HydrophobicContact CD1-CG 4.41Å |
| 640 | E | 72.4 | Confident | 84.3 | Confident | 107 Ų | 107 | 39.9 Ų | 39.9 | 50% | 0.5 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -67.9 | 128 | 173.1 | -171.9 | 173.5 | -169.9 | 0 | 0 | 110.1 | K638 D642 G643 | K638-E640 PolarHBondContact O-N 3.42Å; E640-D642 VanDerWaalsContact C-N 3.28Å; E640-D642 PolarHBondContact O-N 3.48Å; E640-G643 WeakPolarHBondContact O-CA 3.41Å; E640-G643 PolarHBondContact O-N 3.31Å |
| 641 | Y | 74.4 | Confident | 84.4 | Confident | 49 Ų | 49 | 39.2 Ų | 39.2 | 19% | 0.192 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | 49.8 | 43.7 | -178.5 | -51.3 | -49.7 | 0 | 0 | 0 | 114.5 | W529 F532 L639 G643 V645 V646 | W529-Y641 AromaticContact CH2-CD1 3.47Å; W529-Y641 HydrophobicContact CH2-CD1 3.47Å; W529-Y641 VanDerWaalsContact CH2-CD1 3.47Å; W529-Y641 HydrophobicContact CH2-CE1 4.27Å; W529-Y641 AromaticContact CH2-CG 3.94Å; W529-Y641 HydrophobicContact CH2-CG 3.94Å; W529-Y641 AromaticContact CZ3-CD1 3.94Å; W529-Y641 HydrophobicContact CZ3-CD1 3.94Å; W529-Y641 HydrophobicContact CZ3-CG 4.19Å; F532-Y641 HydrophobicContact CE1-CE2 4.37Å; F532-Y641 HydrophobicContact CZ-CE2 4.21Å; F532-Y641 AromaticContact CZ-CZ 3.88Å; L639-Y641 PolarHBondContact O-N 3.09Å; Y641-G643 PolarHBondContact O-N 3.45Å; Y641-G643 VanDerWaalsContact O-N 3.14Å; Y641-V645 HydrophobicContact CD2-CG1 4.39Å; Y641-V646 HydrophobicContact CD2-CG2 4.04Å |
| 642 | D | 66.4 | Low | 84.8 | Confident | 44 Ų | 44 | 37.8 Ų | 37.8 | 24% | 0.235 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | 62.1 | 8.6 | -173.4 | -47.4 | -40.3 | 0 | 0 | 0 | 114.7 | K282 E640 V644 P693 | K282-D642 IonicContact NZ-OD2 3.71Å; K282-D642 PolarHBondContact NZ-OD2 2.82Å; E640-D642 VanDerWaalsContact C-N 3.28Å; E640-D642 PolarHBondContact O-N 3.48Å; D642-V644 VanDerWaalsContact C-N 3.29Å; D642-V644 PolarHBondContact O-N 2.87Å; D642-P693 HydrophobicContact CB-CB 4.36Å |
| 643 | G | 72.8 | Confident | 85.1 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | 75.1 | 12.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | E640 Y641 E647 M687 | E640-G643 WeakPolarHBondContact O-CA 3.41Å; E640-G643 PolarHBondContact O-N 3.31Å; Y641-G643 PolarHBondContact O-N 3.45Å; Y641-G643 VanDerWaalsContact O-N 3.14Å; G643-E647 WeakPolarHBondContact O-CG 3.23Å; G643-M687 WeakPolarHBondContact O-CE 3.48Å |
| 644 | V | 86.9 | Confident | 85.4 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | -32 | -174.9 | 174.1 | 0 | 0 | 0 | 0 | 112.1 | V283 Y286 D642 F648 M687 | V283-V644 HydrophobicContact CG2-CG2 4Å; Y286-V644 HydrophobicContact CD2-CG1 4.09Å; Y286-V644 HydrophobicContact CG-CG1 4.01Å; D642-V644 VanDerWaalsContact C-N 3.29Å; D642-V644 PolarHBondContact O-N 2.87Å; V644-F648 HydrophobicContact CG1-CD2 3.41Å; V644-F648 VanDerWaalsContact CG1-CD2 3.41Å; V644-F648 HydrophobicContact CG1-CE2 3.34Å; V644-F648 VanDerWaalsContact O-CD2 3.28Å; V644-F648 WeakPolarHBondContact O-CD2 3.45Å; V644-F648 PolarHBondContact O-N 3.02Å; V644-M687 HydrophobicContact CG2-CE 4.26Å |
| 645 | V | 88.6 | Confident | 85.8 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.1 | -47 | -177.7 | 165.6 | 0 | 0 | 0 | 0 | 112.2 | W529 L533 Y641 E647 F648 M649 W704 | W529-V645 HydrophobicContact CZ3-CG2 4.1Å; L533-V645 HydrophobicContact CD2-CG1 3.46Å; L533-V645 VanDerWaalsContact CD2-CG1 3.46Å; Y641-V645 HydrophobicContact CD2-CG1 4.39Å; V645-E647 VanDerWaalsContact C-N 3.28Å; V645-E647 PolarHBondContact O-N 3.32Å; V645-F648 PolarHBondContact O-N 3.11Å; V645-M649 PolarHBondContact O-N 2.73Å; V645-W704 HydrophobicContact CB-CZ2 4.47Å; V645-W704 HydrophobicContact CG1-CH2 4.5Å; V645-W704 HydrophobicContact CG1-CZ2 4.18Å |
| 646 | V | 87.3 | Confident | 86.4 | Confident | 58 Ų | 58 | 30.6 Ų | 30.6 | 35% | 0.352 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61.1 | -42.7 | 178.8 | -179 | 0 | 0 | 0 | 0 | 110 | Y641 M649 E650 | Y641-V646 HydrophobicContact CD2-CG2 4.04Å; V646-M649 WeakPolarHBondContact O-CB 3.34Å; V646-M649 PolarHBondContact O-N 2.57Å; V646-M649 VanDerWaalsContact O-N 3.14Å; V646-E650 PolarHBondContact O-N 2.82Å |
| 647 | E | 90 | Very high | 86.8 | Confident | 5 Ų | 5 | 28.8 Ų | 28.8 | 2% | 0.023 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.5 | -38.1 | -179.2 | -42.7 | -57.2 | 164.4 | 0 | 0 | 112.5 | Y286 G643 V645 M649 E650 M651 K686 | Y286-E647 HydrophobicContact CD2-CB 4.37Å; Y286-E647 HydrophobicContact CE2-CB 3.34Å; Y286-E647 HydrophobicContact CE2-CG 4.23Å; Y286-E647 WeakPolarHBondContact OH-CB 3.32Å; G643-E647 WeakPolarHBondContact O-CG 3.23Å; V645-E647 VanDerWaalsContact C-N 3.28Å; V645-E647 PolarHBondContact O-N 3.32Å; E647-M649 VanDerWaalsContact C-N 3.29Å; E647-M649 PolarHBondContact O-N 3.27Å; E647-E650 PolarHBondContact O-N 3.25Å; E647-M651 WeakPolarHBondContact O-CG 3.48Å; E647-M651 PolarHBondContact O-N 3.46Å; E647-K686 IonicContact OE1-NZ 3.76Å; E647-K686 PolarHBondContact OE1-NZ 3.33Å |
| 648 | F | 93.3 | Very high | 87.3 | Confident | 5 Ų | 5 | 23.7 Ų | 23.7 | 2% | 0.022 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64 | -35.4 | 171.2 | -89.7 | -64.4 | 0 | 0 | 0 | 112.6 | Y286 F289 V644 V645 M651 I652 I701 W704 | Y286-F648 HydrophobicContact CD2-CD1 4.46Å; Y286-F648 AromaticContact CD2-CD2 3.97Å; Y286-F648 HydrophobicContact CD2-CD2 3.97Å; Y286-F648 HydrophobicContact CD2-CE1 4.26Å; Y286-F648 AromaticContact CD2-CE2 3.77Å; Y286-F648 HydrophobicContact CD2-CE2 3.77Å; Y286-F648 HydrophobicContact CD2-CG 4.29Å; Y286-F648 AromaticContact CD2-CZ 3.9Å; Y286-F648 HydrophobicContact CD2-CZ 3.9Å; Y286-F648 HydrophobicContact CG-CE2 4.22Å; Y286-F648 HydrophobicContact CG-CZ 4.37Å; F289-F648 HydrophobicContact CB-CE1 4.21Å; F289-F648 HydrophobicContact CD1-CD1 4.36Å; F289-F648 AromaticContact CD1-CE1 3.75Å; F289-F648 HydrophobicContact CD1-CE1 3.75Å; F289-F648 HydrophobicContact CE1-CE1 4.41Å; F289-F648 HydrophobicContact CG-CE1 4.02Å; V644-F648 HydrophobicContact CG1-CD2 3.41Å; V644-F648 VanDerWaalsContact CG1-CD2 3.41Å; V644-F648 HydrophobicContact CG1-CE2 3.34Å; V644-F648 VanDerWaalsContact O-CD2 3.28Å; V644-F648 WeakPolarHBondContact O-CD2 3.45Å; V644-F648 PolarHBondContact O-N 3.02Å; V645-F648 PolarHBondContact O-N 3.11Å; F648-M651 HydrophobicContact CB-CE 4.26Å; F648-M651 HydrophobicContact CD1-CE 3.21Å; F648-M651 HydrophobicContact CE1-CE 3.58Å; F648-M651 HydrophobicContact CG-CE 3.78Å; F648-M651 HydrophobicContact CZ-CE 4.42Å; F648-M651 PolarHBondContact O-N 3.21Å; F648-I652 WeakPolarHBondContact O-CG2 3.39Å; F648-I652 PolarHBondContact O-N 2.87Å; F648-I701 HydrophobicContact CE1-CB 4.35Å; F648-I701 HydrophobicContact CE1-CD1 4.44Å; F648-I701 HydrophobicContact CE1-CG2 3.96Å; F648-I701 HydrophobicContact CE2-CG2 4.37Å; F648-I701 HydrophobicContact CZ-CB 4.05Å; F648-I701 HydrophobicContact CZ-CG2 3.46Å; F648-I701 VanDerWaalsContact CZ-CG2 3.46Å; F648-W704 HydrophobicContact CB-CD2 3.58Å; F648-W704 HydrophobicContact CB-CE3 3.81Å; F648-W704 HydrophobicContact CB-CG 4.22Å; F648-W704 HydrophobicContact CB-CH2 3.66Å; F648-W704 HydrophobicContact CB-CZ2 3.43Å; F648-W704 VanDerWaalsContact CB-CZ2 3.43Å; F648-W704 HydrophobicContact CB-CZ3 3.84Å; F648-W704 HydrophobicContact CD1-CB 4.45Å; F648-W704 HydrophobicContact CD1-CD2 4.26Å; F648-W704 HydrophobicContact CD1-CG 4.06Å; F648-W704 AromaticContact CD2-CD1 3.71Å; F648-W704 HydrophobicContact CD2-CD2 4.44Å; F648-W704 AromaticContact CD2-CE2 3.94Å; F648-W704 HydrophobicContact CD2-CG 4.36Å; F648-W704 AromaticContact CD2-NE1 3.46Å; F648-W704 AromaticContact CG-CD1 3.79Å; F648-W704 AromaticContact CG-CD2 3.89Å; F648-W704 HydrophobicContact CG-CD2 3.89Å; F648-W704 AromaticContact CG-CE2 3.74Å; F648-W704 HydrophobicContact CG-CE3 4.49Å; F648-W704 AromaticContact CG-CG 3.99Å; F648-W704 HydrophobicContact CG-CG 3.99Å; F648-W704 HydrophobicContact CG-CZ2 4.27Å; F648-W704 AromaticContact CG-NE1 3.68Å |
| 649 | M | 91.9 | Very high | 87.9 | Confident | 5 Ų | 5 | 16.1 Ų | 16.1 | 3% | 0.025 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.1 | -42.7 | 175.8 | -164.6 | 63.6 | 79.1 | 0 | 0 | 111.3 | L536 F537 E540 V645 V646 E647 I652 I653 W704 | L536-M649 HydrophobicContact CB-CE 3.97Å; L536-M649 HydrophobicContact CD2-CE 3.75Å; L536-M649 HydrophobicContact CG-CE 3.76Å; F537-M649 HydrophobicContact CB-CE 4.06Å; F537-M649 HydrophobicContact CB-SD 4.22Å; F537-M649 HydrophobicContact CD2-SD 4.21Å; E540-M649 WeakPolarHBondContact OE2-CG 3.23Å; V645-M649 PolarHBondContact O-N 2.73Å; V646-M649 WeakPolarHBondContact O-CB 3.34Å; V646-M649 PolarHBondContact O-N 2.57Å; V646-M649 VanDerWaalsContact O-N 3.14Å; E647-M649 VanDerWaalsContact C-N 3.29Å; E647-M649 PolarHBondContact O-N 3.27Å; M649-I652 VanDerWaalsContact O-CG2 3.29Å; M649-I652 WeakPolarHBondContact O-CG2 3.19Å; M649-I652 PolarHBondContact O-N 3.49Å; M649-I652 HydrophobicContact SD-CG2 4.08Å; M649-I653 WeakPolarHBondContact O-CG1 3.49Å; M649-I653 PolarHBondContact O-N 2.89Å; M649-I653 VanDerWaalsContact O-N 3.17Å; M649-W704 HydrophobicContact CB-CH2 4.28Å; M649-W704 HydrophobicContact CE-CH2 4.05Å; M649-W704 HydrophobicContact CE-CZ3 4.24Å; M649-W704 HydrophobicContact SD-CH2 4.5Å; M649-W704 HydrophobicContact SD-CZ3 4.25Å |
| 650 | E | 89.8 | Confident | 88.6 | Confident | 27 Ų | 27 | 15.8 Ų | 15.8 | 13% | 0.126 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.3 | -47.2 | 173.3 | -176.8 | 165.7 | 175.1 | 0 | 0 | 111.7 | S596 V646 E647 I652 I653 Q654 R682 | S596-E650 WeakPolarHBondContact CB-OE1 3.12Å; S596-E650 PolarHBondContact OG-OE1 3.4Å; S596-E650 PolarHBondContact OG-OE2 3.05Å; V646-E650 PolarHBondContact O-N 2.82Å; E647-E650 PolarHBondContact O-N 3.25Å; E650-I652 PolarHBondContact O-N 3.19Å; E650-I653 PolarHBondContact O-N 2.85Å; E650-Q654 WeakPolarHBondContact O-CB 3.33Å; E650-Q654 PolarHBondContact O-N 3.22Å; E650-R682 IonicContact OE2-NH2 3.77Å |
| 651 | M | 92.4 | Very high | 89.5 | Confident | 5 Ų | 5 | 10.8 Ų | 10.8 | 3% | 0.025 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63.3 | -38.5 | 179.9 | -72.2 | -173.3 | -59.3 | 0 | 0 | 113.5 | Y286 F289 M290 E647 F648 F655 | Y286-M651 HydrophobicContact CD2-CE 3.52Å; Y286-M651 HydrophobicContact CE2-CE 3.31Å; Y286-M651 HydrophobicContact CE2-SD 4.04Å; F289-M651 HydrophobicContact CD1-CE 3.77Å; F289-M651 HydrophobicContact CD1-SD 3.89Å; F289-M651 HydrophobicContact CE1-CE 4.12Å; F289-M651 HydrophobicContact CE1-SD 4.1Å; M290-M651 HydrophobicContact CB-SD 3.92Å; M290-M651 HydrophobicContact CG-SD 4.09Å; E647-M651 WeakPolarHBondContact O-CG 3.48Å; E647-M651 PolarHBondContact O-N 3.46Å; F648-M651 HydrophobicContact CB-CE 4.26Å; F648-M651 HydrophobicContact CD1-CE 3.21Å; F648-M651 HydrophobicContact CE1-CE 3.58Å; F648-M651 HydrophobicContact CG-CE 3.78Å; F648-M651 HydrophobicContact CZ-CE 4.42Å; F648-M651 PolarHBondContact O-N 3.21Å; M651-F655 WeakPolarHBondContact O-CB 3.44Å; M651-F655 PolarHBondContact O-N 3.44Å |
| 652 | I | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -73.6 | -36.9 | -179.4 | -168.4 | 164.7 | 0 | 0 | 0 | 112.5 | F537 F648 M649 E650 Q654 F655 A656 W704 F707 F708 V711 | F537-I652 HydrophobicContact CD2-CD1 4.23Å; F537-I652 HydrophobicContact CD2-CG2 4.13Å; F537-I652 HydrophobicContact CE2-CD1 3.65Å; F537-I652 HydrophobicContact CE2-CG1 4.01Å; F537-I652 HydrophobicContact CE2-CG2 4.17Å; F537-I652 HydrophobicContact CZ-CD1 4.14Å; F648-I652 WeakPolarHBondContact O-CG2 3.39Å; F648-I652 PolarHBondContact O-N 2.87Å; M649-I652 VanDerWaalsContact O-CG2 3.29Å; M649-I652 WeakPolarHBondContact O-CG2 3.19Å; M649-I652 PolarHBondContact O-N 3.49Å; M649-I652 HydrophobicContact SD-CG2 4.08Å; E650-I652 PolarHBondContact O-N 3.19Å; I652-Q654 VanDerWaalsContact C-N 3.34Å; I652-F655 WeakPolarHBondContact O-CB 3.4Å; I652-F655 PolarHBondContact O-N 3.24Å; I652-A656 PolarHBondContact O-N 2.77Å; I652-W704 HydrophobicContact CG2-CZ3 4.3Å; I652-F707 HydrophobicContact CD1-CB 3.09Å; I652-F707 HydrophobicContact CD1-CD2 4.28Å; I652-F707 HydrophobicContact CD1-CG 4.18Å; I652-F708 HydrophobicContact CB-CE1 4.11Å; I652-F708 HydrophobicContact CB-CZ 4.01Å; I652-F708 HydrophobicContact CD1-CD1 4.3Å; I652-F708 HydrophobicContact CD1-CD2 4.48Å; I652-F708 HydrophobicContact CD1-CE1 4.42Å; I652-F708 HydrophobicContact CD1-CG 4.29Å; I652-F708 HydrophobicContact CG1-CD1 4.08Å; I652-F708 HydrophobicContact CG1-CE1 3.88Å; I652-F708 HydrophobicContact CG1-CZ 4.17Å; I652-V711 HydrophobicContact CD1-CG2 4.25Å; I652-V711 HydrophobicContact CG1-CG2 4.14Å |
| 653 | I | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -67.2 | -39.9 | 173.8 | -60.7 | -62.8 | 0 | 0 | 0 | 110.2 | E540 L541 E544 R592 M649 E650 F655 A656 F657 | E540-I653 HydrophobicContact CB-CD1 4.45Å; L541-I653 HydrophobicContact CB-CD1 4.19Å; L541-I653 HydrophobicContact CD1-CD1 3.97Å; E544-I653 HydrophobicContact CG-CG2 4.49Å; R592-I653 VanDerWaalsContact CZ-CG2 3.49Å; R592-I653 VanDerWaalsContact NH1-CG2 3.28Å; M649-I653 WeakPolarHBondContact O-CG1 3.49Å; M649-I653 PolarHBondContact O-N 2.89Å; M649-I653 VanDerWaalsContact O-N 3.17Å; E650-I653 PolarHBondContact O-N 2.85Å; I653-F655 VanDerWaalsContact C-N 3.3Å; I653-F655 PolarHBondContact O-N 3.46Å; I653-A656 WeakPolarHBondContact O-CB 3.35Å; I653-A656 PolarHBondContact O-N 3.41Å; I653-A656 VanDerWaalsContact O-N 3.15Å; I653-F657 HydrophobicContact CG2-CD2 3.93Å; I653-F657 HydrophobicContact CG2-CE2 3.7Å; I653-F657 VanDerWaalsContact O-CD2 3.31Å; I653-F657 WeakPolarHBondContact O-CD2 3.31Å; I653-F657 PolarHBondContact O-N 3.4Å |
| 654 | Q | 94.1 | Very high | 92.3 | Very high | 6 Ų | 6 | 6.4 Ų | 6.4 | 3% | 0.028 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -58.8 | -41.6 | 171.7 | -169.7 | -173.2 | -67.4 | 0 | 0 | 112 | E650 I652 F657 C658 C672 N675 N676 | E650-Q654 WeakPolarHBondContact O-CB 3.33Å; E650-Q654 PolarHBondContact O-N 3.22Å; I652-Q654 VanDerWaalsContact C-N 3.34Å; Q654-F657 PolarHBondContact O-N 3.13Å; Q654-C658 PolarHBondContact O-N 3.38Å; Q654-C658 VanDerWaalsContact O-N 3.16Å; Q654-C672 HydrophobicContact CG-CB 3.88Å; Q654-C672 WeakPolarHBondContact CG-SG 3.26Å; Q654-C672 PolarHBondContact NE2-O 3.33Å; Q654-N675 PolarHBondContact OE1-ND2 3.09Å; Q654-N676 VanDerWaalsContact NE2-CG 3.33Å; Q654-N676 PolarHBondContact NE2-ND2 3.02Å; Q654-N676 PolarHBondContact NE2-OD1 2.94Å; Q654-N676 PolarHBondContact OE1-OD1 2.95Å |
| 655 | F | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -61.8 | -42.4 | 174.5 | 179.5 | -92.4 | 0 | 0 | 0 | 111.9 | Y293 W379 E380 F383 M651 I652 I653 F657 C658 T659 F708 V711 V712 | Y293-F655 AromaticContact CE2-CD2 3.78Å; Y293-F655 HydrophobicContact CE2-CD2 3.78Å; Y293-F655 WeakPolarHBondContact OH-CA 3.3Å; Y293-F655 PolarHBondContact OH-N 3.17Å; W379-F655 HydrophobicContact CH2-CD2 4.4Å; W379-F655 AromaticContact CH2-CE2 3.94Å; W379-F655 HydrophobicContact CH2-CE2 3.94Å; W379-F655 HydrophobicContact CZ3-CD2 4.42Å; W379-F655 AromaticContact CZ3-CE2 3.68Å; W379-F655 HydrophobicContact CZ3-CE2 3.68Å; W379-F655 HydrophobicContact CZ3-CZ 4.39Å; E380-F655 HydrophobicContact CB-CZ 4.19Å; F383-F655 HydrophobicContact CD1-CD2 4.48Å; F383-F655 AromaticContact CD1-CE2 3.57Å; F383-F655 HydrophobicContact CD1-CE2 3.57Å; F383-F655 HydrophobicContact CD1-CZ 4.02Å; F383-F655 HydrophobicContact CE1-CD2 4.07Å; F383-F655 AromaticContact CE1-CE2 3.56Å; F383-F655 HydrophobicContact CE1-CE2 3.56Å; F383-F655 HydrophobicContact CE1-CZ 4.18Å; F383-F655 HydrophobicContact CG-CE2 4.32Å; F383-F655 HydrophobicContact CZ-CE2 4.32Å; M651-F655 WeakPolarHBondContact O-CB 3.44Å; M651-F655 PolarHBondContact O-N 3.44Å; I652-F655 WeakPolarHBondContact O-CB 3.4Å; I652-F655 PolarHBondContact O-N 3.24Å; I653-F655 VanDerWaalsContact C-N 3.3Å; I653-F655 PolarHBondContact O-N 3.46Å; F655-F657 VanDerWaalsContact C-N 3.33Å; F655-F657 PolarHBondContact O-N 2.85Å; F655-C658 WeakPolarHBondContact O-CB 3.3Å; F655-C658 PolarHBondContact O-N 3.14Å; F655-C658 VanDerWaalsContact O-N 3.1Å; F655-T659 HydrophobicContact CD1-CG2 4.42Å; F655-T659 HydrophobicContact CE1-CG2 4Å; F655-T659 HydrophobicContact CE2-CG2 4.15Å; F655-T659 HydrophobicContact CZ-CG2 3.85Å; F655-T659 PolarHBondContact O-N 3.35Å; F655-T659 PolarHBondContact O-OG1 2.93Å; F655-F708 HydrophobicContact CB-CD1 4.21Å; F655-F708 HydrophobicContact CB-CE1 3.67Å; F655-F708 AromaticContact CD1-CD1 3.63Å; F655-F708 HydrophobicContact CD1-CD1 3.63Å; F655-F708 AromaticContact CD1-CE1 4Å; F655-F708 HydrophobicContact CD1-CE1 4Å; F655-F708 HydrophobicContact CD2-CD1 4.22Å; F655-F708 HydrophobicContact CD2-CE1 4.16Å; F655-F708 AromaticContact CE1-CD1 3.99Å; F655-F708 HydrophobicContact CE1-CD1 3.99Å; F655-F708 AromaticContact CG-CD1 3.76Å; F655-F708 HydrophobicContact CG-CD1 3.76Å; F655-F708 AromaticContact CG-CE1 3.68Å; F655-F708 HydrophobicContact CG-CE1 3.68Å; F655-F708 HydrophobicContact CZ-CD1 4.44Å; F655-V711 HydrophobicContact CD1-CB 4.26Å; F655-V711 HydrophobicContact CD1-CG1 3.76Å; F655-V711 HydrophobicContact CE1-CB 4.3Å; F655-V711 HydrophobicContact CE1-CG1 3.93Å; F655-V712 HydrophobicContact CE1-CG2 4.09Å; F655-V712 HydrophobicContact CZ-CG2 4.1Å |
| 656 | A | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -60.9 | -39.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L541 F545 I652 I653 C658 T659 V660 V711 | L541-A656 HydrophobicContact CD1-CB 3.92Å; F545-A656 HydrophobicContact CE2-CB 3.59Å; F545-A656 HydrophobicContact CZ-CB 3.6Å; I652-A656 PolarHBondContact O-N 2.77Å; I653-A656 WeakPolarHBondContact O-CB 3.35Å; I653-A656 PolarHBondContact O-N 3.41Å; I653-A656 VanDerWaalsContact O-N 3.15Å; A656-C658 VanDerWaalsContact C-N 3.28Å; A656-C658 PolarHBondContact O-N 3.42Å; A656-T659 PolarHBondContact O-N 3.17Å; A656-V660 HydrophobicContact CB-CG2 4.11Å; A656-V660 VanDerWaalsContact O-CB 3.31Å; A656-V660 WeakPolarHBondContact O-CB 3.34Å; A656-V660 VanDerWaalsContact O-CG2 3.3Å; A656-V660 WeakPolarHBondContact O-CG2 3.48Å; A656-V660 PolarHBondContact O-N 3.23Å; A656-V711 HydrophobicContact CB-CG1 3.77Å; A656-V711 HydrophobicContact CB-CG2 4.49Å |
| 657 | F | 94.2 | Very high | 93 | Very high | 5 Ų | 5 | 5.9 Ų | 5.9 | 2% | 0.022 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -63.3 | -33.2 | 173.9 | -81.9 | -66.4 | 0 | 0 | 0 | 113 | E544 F545 I548 I585 L588 L589 I653 Q654 F655 | E544-F657 HydrophobicContact CG-CE2 3.83Å; E544-F657 HydrophobicContact CG-CZ 3.46Å; E544-F657 VanDerWaalsContact CG-CZ 3.46Å; F545-F657 AromaticContact CE1-CD1 3.96Å; F545-F657 HydrophobicContact CE1-CD1 3.96Å; F545-F657 HydrophobicContact CE1-CE1 4.08Å; F545-F657 AromaticContact CZ-CD1 3.94Å; F545-F657 HydrophobicContact CZ-CD1 3.94Å; F545-F657 HydrophobicContact CZ-CD2 4.34Å; F545-F657 HydrophobicContact CZ-CE1 4.16Å; F545-F657 HydrophobicContact CZ-CG 4.05Å; F545-F657 HydrophobicContact CZ-CZ 4.46Å; I548-F657 HydrophobicContact CD1-CE1 3.89Å; I585-F657 HydrophobicContact CG2-CD1 4.17Å; L588-F657 HydrophobicContact CB-CZ 4.33Å; L589-F657 HydrophobicContact CD1-CB 4.02Å; L589-F657 HydrophobicContact CD1-CD2 3.91Å; L589-F657 HydrophobicContact CD1-CG 4.01Å; I653-F657 HydrophobicContact CG2-CD2 3.93Å; I653-F657 HydrophobicContact CG2-CE2 3.7Å; I653-F657 VanDerWaalsContact O-CD2 3.31Å; I653-F657 WeakPolarHBondContact O-CD2 3.31Å; I653-F657 PolarHBondContact O-N 3.4Å; Q654-F657 PolarHBondContact O-N 3.13Å; F655-F657 VanDerWaalsContact C-N 3.33Å; F655-F657 PolarHBondContact O-N 2.85Å |
| 658 | C | 94.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 5.7 Ų | 5.7 | 1% | 0.007 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -74.4 | -21.8 | 176.7 | -71.6 | 0 | 0 | 0 | 0 | 114.3 | Q654 F655 A656 I662 C672 | Q654-C658 PolarHBondContact O-N 3.38Å; Q654-C658 VanDerWaalsContact O-N 3.16Å; F655-C658 WeakPolarHBondContact O-CB 3.3Å; F655-C658 PolarHBondContact O-N 3.14Å; F655-C658 VanDerWaalsContact O-N 3.1Å; A656-C658 VanDerWaalsContact C-N 3.28Å; A656-C658 PolarHBondContact O-N 3.42Å; C658-I662 WeakPolarHBondContact O-CD1 3.27Å; C658-I662 WeakPolarHBondContact O-CG1 3.41Å; C658-C672 VanDerWaalsContact SG-CB 3.53Å; C658-C672 PolarHBondContact SG-SG 3.46Å |
| 659 | T | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -115.7 | -48.2 | -170.8 | 60.7 | 0 | 0 | 0 | 0 | 113.4 | I376 W379 E380 F655 A656 F661 S715 N719 | I376-T659 HydrophobicContact CG2-CG2 4.1Å; W379-T659 HydrophobicContact CZ3-CG2 4.16Å; E380-T659 HydrophobicContact CB-CG2 4.36Å; F655-T659 HydrophobicContact CD1-CG2 4.42Å; F655-T659 HydrophobicContact CE1-CG2 4Å; F655-T659 HydrophobicContact CE2-CG2 4.15Å; F655-T659 HydrophobicContact CZ-CG2 3.85Å; F655-T659 PolarHBondContact O-N 3.35Å; F655-T659 PolarHBondContact O-OG1 2.93Å; A656-T659 PolarHBondContact O-N 3.17Å; T659-F661 PolarHBondContact O-N 3.46Å; T659-S715 WeakPolarHBondContact CB-OG 3.13Å; T659-S715 PolarHBondContact O-OG 3.37Å; T659-N719 PolarHBondContact O-ND2 3.49Å |
| 660 | V | 95 | Very high | 93.4 | Very high | 3 Ų | 3 | 8.1 Ų | 8.1 | 2% | 0.018 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -39.4 | -168 | 178.9 | 0 | 0 | 0 | 0 | 113.6 | F545 A656 V711 I714 T718 | F545-V660 HydrophobicContact CE1-CB 4.37Å; A656-V660 HydrophobicContact CB-CG2 4.11Å; A656-V660 VanDerWaalsContact O-CB 3.31Å; A656-V660 WeakPolarHBondContact O-CB 3.34Å; A656-V660 VanDerWaalsContact O-CG2 3.3Å; A656-V660 WeakPolarHBondContact O-CG2 3.48Å; A656-V660 PolarHBondContact O-N 3.23Å; V660-V711 HydrophobicContact CG2-CG1 4.14Å; V660-I714 HydrophobicContact CG1-CG2 4.25Å; V660-I714 HydrophobicContact CG2-CG2 4.34Å; V660-T718 HydrophobicContact CG1-CG2 3.89Å; V660-T718 VanDerWaalsContact CG1-OG1 3.32Å; V660-T718 WeakPolarHBondContact CG1-OG1 3.2Å; V660-T718 PolarHBondContact O-OG1 3.42Å; V660-T718 VanDerWaalsContact O-OG1 3.05Å |
| 661 | F | 91.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 8.3 Ų | 8.3 | 1% | 0.009 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123 | 33.5 | -177.7 | -71.5 | -83 | 0 | 0 | 0 | 112.4 | F545 I548 F549 A552 F553 V581 I585 T659 A663 S664 F665 L722 | F545-F661 AromaticContact CD1-CD2 3.81Å; F545-F661 HydrophobicContact CD1-CD2 3.81Å; F545-F661 AromaticContact CD1-CE2 3.59Å; F545-F661 HydrophobicContact CD1-CE2 3.59Å; F545-F661 AromaticContact CE1-CD2 3.86Å; F545-F661 HydrophobicContact CE1-CD2 3.86Å; F545-F661 HydrophobicContact CE1-CE2 4.12Å; I548-F661 HydrophobicContact CB-CE2 4.21Å; I548-F661 HydrophobicContact CB-CZ 4.3Å; I548-F661 HydrophobicContact CG2-CD1 3.93Å; I548-F661 HydrophobicContact CG2-CD2 3.77Å; I548-F661 HydrophobicContact CG2-CE1 3.75Å; I548-F661 HydrophobicContact CG2-CE2 3.57Å; I548-F661 HydrophobicContact CG2-CG 3.96Å; I548-F661 HydrophobicContact CG2-CZ 3.54Å; F549-F661 HydrophobicContact CD1-CE2 4.24Å; F549-F661 AromaticContact CD1-CZ 3.56Å; F549-F661 HydrophobicContact CD1-CZ 3.56Å; F549-F661 AromaticContact CE1-CE2 3.88Å; F549-F661 HydrophobicContact CE1-CE2 3.88Å; F549-F661 AromaticContact CE1-CZ 3.52Å; F549-F661 HydrophobicContact CE1-CZ 3.52Å; F549-F661 HydrophobicContact CG-CZ 4.4Å; F549-F661 HydrophobicContact CZ-CE2 4.32Å; F549-F661 HydrophobicContact CZ-CZ 4.38Å; A552-F661 HydrophobicContact CB-CE1 4Å; F553-F661 HydrophobicContact CE2-CE1 4.25Å; F553-F661 HydrophobicContact CE2-CZ 4.4Å; F553-F661 HydrophobicContact CZ-CE1 4.42Å; V581-F661 HydrophobicContact CG1-CD1 4.34Å; I585-F661 HydrophobicContact CD1-CB 3.39Å; I585-F661 HydrophobicContact CD1-CG 3.99Å; T659-F661 PolarHBondContact O-N 3.46Å; F661-A663 PolarHBondContact O-N 3.28Å; F661-S664 PolarHBondContact O-N 2.89Å; F661-F665 PolarHBondContact O-N 3.02Å; F661-L722 HydrophobicContact CD1-CD1 4.27Å; F661-L722 HydrophobicContact CD1-CD2 4.11Å |
| 662 | I | 93.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.043 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -26.9 | -172.9 | -163.2 | 45.5 | 0 | 0 | 0 | 113.1 | M372 I376 C658 S664 F665 A668 P669 N719 | M372-I662 HydrophobicContact CE-CD1 3.68Å; M372-I662 HydrophobicContact CE-CG1 3.62Å; M372-I662 HydrophobicContact CG-CG1 4.09Å; I376-I662 HydrophobicContact CB-CG1 4.45Å; I376-I662 HydrophobicContact CB-CG2 3.97Å; I376-I662 HydrophobicContact CD1-CG1 4.14Å; I376-I662 HydrophobicContact CG1-CB 4.46Å; I376-I662 HydrophobicContact CG1-CG1 3.72Å; I376-I662 HydrophobicContact CG1-CG2 4.12Å; I376-I662 HydrophobicContact CG2-CB 4.44Å; I376-I662 HydrophobicContact CG2-CG1 4.47Å; I376-I662 HydrophobicContact CG2-CG2 3.92Å; C658-I662 WeakPolarHBondContact O-CD1 3.27Å; C658-I662 WeakPolarHBondContact O-CG1 3.41Å; I662-S664 PolarHBondContact O-N 2.87Å; I662-F665 WeakPolarHBondContact CD1-O 3.49Å; I662-F665 CarbonylContact O-C 3.6Å; I662-F665 PolarHBondContact O-N 2.66Å; I662-A668 HydrophobicContact CD1-CB 4.33Å; I662-P669 HydrophobicContact CD1-CG 3.97Å; I662-N719 WeakPolarHBondContact CG2-OD1 3.32Å |
| 663 | A | 88.7 | Confident | 93.7 | Very high | 3 Ų | 3 | 9.1 Ų | 9.1 | 3% | 0.025 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -22.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | T369 S373 F661 L722 L723 | T369-A663 HydrophobicContact CG2-CB 3.73Å; T369-A663 WeakPolarHBondContact CG2-O 3.28Å; S373-A663 WeakPolarHBondContact OG-CB 3.35Å; F661-A663 PolarHBondContact O-N 3.28Å; A663-L722 HydrophobicContact CB-CD2 3.67Å; A663-L723 HydrophobicContact CB-CD2 3.98Å; A663-L723 HydrophobicContact CB-CG 4.26Å |
| 664 | S | 90 | Very high | 93.6 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.007 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -42.2 | 174.6 | -66 | 0 | 0 | 0 | 0 | 111.8 | V581 T582 F661 I662 L722 | V581-S664 WeakPolarHBondContact CG1-OG 3.19Å; T582-S664 PolarHBondContact OG1-O 3Å; F661-S664 PolarHBondContact O-N 2.89Å; I662-S664 PolarHBondContact O-N 2.87Å; S664-L722 VanDerWaalsContact OG-CD2 3.31Å; S664-L722 WeakPolarHBondContact OG-CD2 3.39Å |
| 665 | F | 91.9 | Very high | 93.5 | Very high | 14 Ų | 14 | 13.6 Ų | 13.6 | 6% | 0.061 | 7% | 0.072 | C | C | . | . | trans | -128.5 | 80.7 | -174.1 | -173.4 | -129.9 | 0 | 0 | 0 | 113.1 | T582 I585 L589 F661 I662 L667 A668 V671 | T582-F665 HydrophobicContact CG2-CB 4.16Å; T582-F665 HydrophobicContact CG2-CD2 3.75Å; T582-F665 HydrophobicContact CG2-CG 4.31Å; I585-F665 HydrophobicContact CG2-CB 4.2Å; I585-F665 HydrophobicContact CG2-CD1 3.94Å; I585-F665 HydrophobicContact CG2-CG 4.41Å; L589-F665 HydrophobicContact CD2-CE1 4.33Å; F661-F665 PolarHBondContact O-N 3.02Å; I662-F665 WeakPolarHBondContact CD1-O 3.49Å; I662-F665 CarbonylContact O-C 3.6Å; I662-F665 PolarHBondContact O-N 2.66Å; F665-L667 HydrophobicContact CD2-CB 4.35Å; F665-L667 HydrophobicContact CE1-CB 4.45Å; F665-L667 HydrophobicContact CE2-CB 3.71Å; F665-L667 HydrophobicContact CE2-CD1 4.45Å; F665-L667 HydrophobicContact CZ-CB 3.76Å; F665-L667 PolarHBondContact O-N 3.31Å; F665-L667 VanDerWaalsContact O-N 3.07Å; F665-A668 HydrophobicContact CD1-CB 3.53Å; F665-A668 HydrophobicContact CE1-CB 3.97Å; F665-A668 HydrophobicContact CG-CB 4.44Å; F665-A668 WeakPolarHBondContact O-CB 3.28Å; F665-A668 PolarHBondContact O-N 3.27Å; F665-A668 VanDerWaalsContact O-N 3.07Å; F665-V671 HydrophobicContact CE1-CG2 4.35Å; F665-V671 HydrophobicContact CZ-CG2 4.28Å | ||
| 666 | P | 93.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -22.9 | -177.9 | -25.4 | 34.4 | 0 | 0 | 0 | 114.9 | G304 V307 M372 A668 P669 | G304-P666 WeakPolarHBondContact CA-O 3.38Å; V307-P666 HydrophobicContact CG1-CB 4.35Å; V307-P666 HydrophobicContact CG1-CG 4.22Å; M372-P666 HydrophobicContact CG-CB 4.4Å; P666-A668 VanDerWaalsContact C-N 3.32Å; P666-P669 VanDerWaalsContact O-CD 3.25Å; P666-P669 WeakPolarHBondContact O-CD 3.34Å |
| 667 | L | 93.1 | Very high | 93 | Very high | 42 Ų | 42 | 15.7 Ų | 15.7 | 22% | 0.22 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -6 | 179.2 | -67.1 | 178 | 0 | 0 | 0 | 114.1 | V305 T308 F665 P669 L670 V671 | V305-L667 HydrophobicContact CG2-CD2 4.03Å; T308-L667 HydrophobicContact CG2-CD1 4.05Å; T308-L667 HydrophobicContact CG2-CD2 4.35Å; T308-L667 HydrophobicContact CG2-CG 4.19Å; T308-L667 WeakPolarHBondContact OG1-CG 3.41Å; F665-L667 HydrophobicContact CD2-CB 4.35Å; F665-L667 HydrophobicContact CE1-CB 4.45Å; F665-L667 HydrophobicContact CE2-CB 3.71Å; F665-L667 HydrophobicContact CE2-CD1 4.45Å; F665-L667 HydrophobicContact CZ-CB 3.76Å; F665-L667 PolarHBondContact O-N 3.31Å; F665-L667 VanDerWaalsContact O-N 3.07Å; L667-P669 VanDerWaalsContact C-CD 3.45Å; L667-P669 VanDerWaalsContact C-N 3.34Å; L667-L670 HydrophobicContact CD2-CD2 4.45Å; L667-L670 WeakPolarHBondContact O-CB 3.28Å; L667-L670 PolarHBondContact O-N 2.8Å; L667-V671 PolarHBondContact O-N 2.89Å |
| 668 | A | 94.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -50.7 | -46.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L589 I662 F665 P666 L670 V671 C672 | L589-A668 HydrophobicContact CD2-CB 4.35Å; I662-A668 HydrophobicContact CD1-CB 4.33Å; F665-A668 HydrophobicContact CD1-CB 3.53Å; F665-A668 HydrophobicContact CE1-CB 3.97Å; F665-A668 HydrophobicContact CG-CB 4.44Å; F665-A668 WeakPolarHBondContact O-CB 3.28Å; F665-A668 PolarHBondContact O-N 3.27Å; F665-A668 VanDerWaalsContact O-N 3.07Å; P666-A668 VanDerWaalsContact C-N 3.32Å; A668-L670 VanDerWaalsContact C-N 3.27Å; A668-L670 PolarHBondContact O-N 3.48Å; A668-V671 PolarHBondContact O-N 3.31Å; A668-C672 WeakPolarHBondContact O-CB 3.37Å; A668-C672 PolarHBondContact O-N 2.95Å; A668-C672 PolarHBondContact O-SG 3.47Å |
| 669 | P | 95.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63 | -30.3 | 180 | -23 | 36.1 | 0 | 0 | 0 | 113.7 | L297 A300 A301 M372 I662 P666 L667 L673 | L297-P669 HydrophobicContact CD2-CB 4.23Å; A300-P669 HydrophobicContact CB-CB 3.84Å; A300-P669 HydrophobicContact CB-CG 4.15Å; A301-P669 HydrophobicContact CB-CB 4.42Å; M372-P669 HydrophobicContact CE-CG 4.21Å; I662-P669 HydrophobicContact CD1-CG 3.97Å; P666-P669 VanDerWaalsContact O-CD 3.25Å; P666-P669 WeakPolarHBondContact O-CD 3.34Å; L667-P669 VanDerWaalsContact C-CD 3.45Å; L667-P669 VanDerWaalsContact C-N 3.34Å; P669-L673 VanDerWaalsContact O-CB 3.23Å; P669-L673 WeakPolarHBondContact O-CB 3.3Å; P669-L673 PolarHBondContact O-N 2.98Å |
| 670 | L | 95.1 | Very high | 91.9 | Very high | 60 Ų | 60 | 19.4 Ų | 19.4 | 31% | 0.314 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -69.2 | -46.4 | 175.8 | 178 | 67.1 | 0 | 0 | 0 | 111.1 | A301 V305 L667 A668 C672 L673 I674 | A301-L670 HydrophobicContact CB-CB 4.11Å; A301-L670 HydrophobicContact CB-CD1 4.24Å; V305-L670 HydrophobicContact CG2-CD2 3.78Å; L667-L670 HydrophobicContact CD2-CD2 4.45Å; L667-L670 WeakPolarHBondContact O-CB 3.28Å; L667-L670 PolarHBondContact O-N 2.8Å; A668-L670 VanDerWaalsContact C-N 3.27Å; A668-L670 PolarHBondContact O-N 3.48Å; L670-C672 VanDerWaalsContact C-N 3.31Å; L670-C672 PolarHBondContact O-N 2.92Å; L670-L673 WeakPolarHBondContact O-CB 3.44Å; L670-L673 PolarHBondContact O-N 3.3Å; L670-I674 HydrophobicContact CD1-CD1 4.44Å; L670-I674 HydrophobicContact CG-CD1 4.3Å; L670-I674 WeakPolarHBondContact O-CG1 3.24Å; L670-I674 PolarHBondContact O-N 3.48Å |
| 671 | V | 93.8 | Very high | 91.5 | Very high | 30 Ų | 30 | 19.5 Ų | 19.5 | 18% | 0.182 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.2 | -46 | 177.3 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | L589 L590 L593 F665 L667 A668 I674 N675 | L589-V671 HydrophobicContact CD2-CB 4.3Å; L589-V671 HydrophobicContact CD2-CG1 4.11Å; L589-V671 HydrophobicContact CG-CG1 4.39Å; L590-V671 HydrophobicContact CD2-CG1 3.77Å; L593-V671 HydrophobicContact CD1-CG1 3.52Å; F665-V671 HydrophobicContact CE1-CG2 4.35Å; F665-V671 HydrophobicContact CZ-CG2 4.28Å; L667-V671 PolarHBondContact O-N 2.89Å; A668-V671 PolarHBondContact O-N 3.31Å; V671-I674 PolarHBondContact O-N 2.9Å; V671-N675 PolarHBondContact O-N 2.92Å |
| 672 | C | 94.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66 | -35.7 | 177.2 | -69.6 | 0 | 0 | 0 | 0 | 113.5 | L297 Q654 C658 A668 L670 N675 N676 | L297-C672 HydrophobicContact CD1-CB 4.25Å; Q654-C672 HydrophobicContact CG-CB 3.88Å; Q654-C672 WeakPolarHBondContact CG-SG 3.26Å; Q654-C672 PolarHBondContact NE2-O 3.33Å; C658-C672 VanDerWaalsContact SG-CB 3.53Å; C658-C672 PolarHBondContact SG-SG 3.46Å; A668-C672 WeakPolarHBondContact O-CB 3.37Å; A668-C672 PolarHBondContact O-N 2.95Å; A668-C672 PolarHBondContact O-SG 3.47Å; L670-C672 VanDerWaalsContact C-N 3.31Å; L670-C672 PolarHBondContact O-N 2.92Å; C672-N675 PolarHBondContact O-N 3.25Å; C672-N676 WeakPolarHBondContact O-CB 3.47Å; C672-N676 PolarHBondContact O-N 3.03Å |
| 673 | L | 94.3 | Very high | 90.9 | Very high | 23 Ų | 23 | 20.5 Ų | 20.5 | 12% | 0.12 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.2 | -46.3 | 174.3 | 176.2 | 63.6 | 0 | 0 | 0 | 111.1 | T294 L297 I298 A301 P669 L670 N675 N676 L677 | T294-L673 HydrophobicContact CG2-CD1 3.88Å; T294-L673 VanDerWaalsContact O-CD1 3.26Å; T294-L673 WeakPolarHBondContact O-CD1 3.24Å; L297-L673 HydrophobicContact CB-CB 4.29Å; L297-L673 HydrophobicContact CB-CD1 4.13Å; I298-L673 HydrophobicContact CG1-CD1 4.07Å; I298-L673 HydrophobicContact CG1-CD2 4.23Å; A301-L673 HydrophobicContact CB-CD2 3.95Å; P669-L673 VanDerWaalsContact O-CB 3.23Å; P669-L673 WeakPolarHBondContact O-CB 3.3Å; P669-L673 PolarHBondContact O-N 2.98Å; L670-L673 WeakPolarHBondContact O-CB 3.44Å; L670-L673 PolarHBondContact O-N 3.3Å; L673-N675 VanDerWaalsContact C-N 3.33Å; L673-N675 PolarHBondContact O-N 3.36Å; L673-N676 PolarHBondContact O-N 3.49Å; L673-L677 WeakPolarHBondContact O-CG 3.2Å; L673-L677 PolarHBondContact O-N 3.21Å |
| 674 | I | 92.2 | Very high | 90.8 | Very high | 94 Ų | 94 | 20.4 Ų | 20.4 | 48% | 0.482 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -61.6 | -44.5 | 177.4 | -65.8 | 167.1 | 0 | 0 | 0 | 110.2 | L670 V671 L677 I678 | L670-I674 HydrophobicContact CD1-CD1 4.44Å; L670-I674 HydrophobicContact CG-CD1 4.3Å; L670-I674 WeakPolarHBondContact O-CG1 3.24Å; L670-I674 PolarHBondContact O-N 3.48Å; V671-I674 PolarHBondContact O-N 2.9Å; I674-L677 PolarHBondContact O-N 3.29Å; I674-I678 PolarHBondContact O-N 3.07Å |
| 675 | N | 91.3 | Very high | 90.5 | Very high | 6 Ų | 6 | 22.4 Ų | 22.4 | 3% | 0.032 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.7 | -52 | 175.6 | -172.6 | 63.1 | 0 | 0 | 0 | 111.4 | L593 N597 Q654 V671 C672 L673 L677 I678 E679 | L593-N675 HydrophobicContact CD1-CB 4.03Å; L593-N675 HydrophobicContact CD2-CB 3.9Å; L593-N675 VanDerWaalsContact CD2-ND2 3.29Å; L593-N675 WeakPolarHBondContact CD2-ND2 3.48Å; L593-N675 HydrophobicContact CG-CB 4.41Å; N597-N675 PolarHBondContact ND2-OD1 3.47Å; Q654-N675 PolarHBondContact OE1-ND2 3.09Å; V671-N675 PolarHBondContact O-N 2.92Å; C672-N675 PolarHBondContact O-N 3.25Å; L673-N675 VanDerWaalsContact C-N 3.33Å; L673-N675 PolarHBondContact O-N 3.36Å; N675-L677 PolarHBondContact O-N 3.37Å; N675-I678 WeakPolarHBondContact O-CA 3.44Å; N675-I678 WeakPolarHBondContact O-CB 3.32Å; N675-I678 PolarHBondContact O-N 3.45Å; N675-E679 VanDerWaalsContact O-CB 3.29Å; N675-E679 WeakPolarHBondContact O-CB 3.48Å; N675-E679 PolarHBondContact O-N 3.23Å |
| 676 | N | 91.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.9 | -35 | -179.4 | -80.7 | 4 | 0 | 0 | 0 | 113.3 | Y293 T294 L297 Q654 C672 L673 I678 E679 V680 | Y293-N676 WeakPolarHBondContact CD1-ND2 3.18Å; Y293-N676 VanDerWaalsContact CE1-ND2 3.29Å; Y293-N676 WeakPolarHBondContact CE1-ND2 3.34Å; T294-N676 HydrophobicContact CG2-CB 4.04Å; T294-N676 WeakPolarHBondContact OG1-CB 3.4Å; L297-N676 VanDerWaalsContact CD1-ND2 3.28Å; L297-N676 WeakPolarHBondContact CD1-ND2 3.46Å; Q654-N676 VanDerWaalsContact NE2-CG 3.33Å; Q654-N676 PolarHBondContact NE2-ND2 3.02Å; Q654-N676 PolarHBondContact NE2-OD1 2.94Å; Q654-N676 PolarHBondContact OE1-OD1 2.95Å; C672-N676 WeakPolarHBondContact O-CB 3.47Å; C672-N676 PolarHBondContact O-N 3.03Å; L673-N676 PolarHBondContact O-N 3.49Å; N676-I678 VanDerWaalsContact C-N 3.3Å; N676-I678 PolarHBondContact O-N 3.44Å; N676-E679 PolarHBondContact O-N 2.95Å; N676-V680 WeakPolarHBondContact O-CB 3.44Å; N676-V680 WeakPolarHBondContact O-CG2 3.34Å; N676-V680 PolarHBondContact O-N 3.01Å |
| 677 | L | 89 | Confident | 89.9 | Confident | 43 Ų | 43 | 24.6 Ų | 24.6 | 23% | 0.225 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.2 | -36.1 | 175.8 | -73.9 | 174 | 0 | 0 | 0 | 112.4 | T266 F267 T294 L673 I674 N675 | T266-L677 HydrophobicContact CG2-CB 3.67Å; T266-L677 HydrophobicContact CG2-CD2 3.95Å; T266-L677 HydrophobicContact CG2-CG 4.27Å; T266-L677 WeakPolarHBondContact CG2-O 3.16Å; F267-L677 HydrophobicContact CE1-CD1 4.2Å; T294-L677 HydrophobicContact CG2-CD2 3.93Å; T294-L677 HydrophobicContact CG2-CG 4.31Å; L673-L677 WeakPolarHBondContact O-CG 3.2Å; L673-L677 PolarHBondContact O-N 3.21Å; I674-L677 PolarHBondContact O-N 3.29Å; N675-L677 PolarHBondContact O-N 3.37Å |
| 678 | I | 86.6 | Confident | 89.5 | Confident | 73 Ų | 73 | 22.7 Ų | 22.7 | 37% | 0.374 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -76.3 | -47.6 | 175.2 | -60.8 | 170.6 | 0 | 0 | 0 | 109.8 | I674 N675 N676 V680 R681 R682 | I674-I678 PolarHBondContact O-N 3.07Å; N675-I678 WeakPolarHBondContact O-CA 3.44Å; N675-I678 WeakPolarHBondContact O-CB 3.32Å; N675-I678 PolarHBondContact O-N 3.45Å; N676-I678 VanDerWaalsContact C-N 3.3Å; N676-I678 PolarHBondContact O-N 3.44Å; I678-V680 PolarHBondContact O-N 3.48Å; I678-R681 PolarHBondContact O-N 2.73Å; I678-R681 VanDerWaalsContact O-N 3.11Å; I678-R682 PolarHBondContact O-N 3.06Å |
| 679 | E | 88.2 | Confident | 88.9 | Confident | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.019 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -55.7 | -49.4 | -175.7 | -164.1 | 66.1 | -172.7 | 0 | 0 | 112.4 | M290 N675 N676 R681 R682 D683 | M290-E679 HydrophobicContact CE-CG 3.95Å; N675-E679 VanDerWaalsContact O-CB 3.29Å; N675-E679 WeakPolarHBondContact O-CB 3.48Å; N675-E679 PolarHBondContact O-N 3.23Å; N676-E679 PolarHBondContact O-N 2.95Å; E679-R681 PolarHBondContact O-N 3.25Å; E679-R682 WeakPolarHBondContact O-CB 3.44Å; E679-R682 PolarHBondContact O-N 3.39Å; E679-R682 VanDerWaalsContact O-N 3.09Å; E679-R682 IonicContact OE1-CZ 2.66Å; E679-R682 IonicContact OE1-NE 3.98Å; E679-R682 IonicContact OE1-NH1 3.16Å; E679-R682 IonicContact OE1-NH2 3.7Å; E679-R682 PolarHBondContact OE1-NH2 2.66Å; E679-R682 IonicContact OE2-CZ 3.07Å; E679-R682 IonicContact OE2-NE 3.59Å; E679-R682 PolarHBondContact OE2-NE 3.48Å; E679-R682 IonicContact OE2-NH1 3.61Å; E679-R682 PolarHBondContact OE2-NH1 3.35Å; E679-R682 IonicContact OE2-NH2 2.64Å; E679-R682 PolarHBondContact OE2-NH2 2.85Å; E679-R682 VanDerWaalsContact OE2-NH2 3.11Å; E679-D683 WeakPolarHBondContact CG-OD2 3.4Å; E679-D683 WeakPolarHBondContact O-CB 3.44Å; E679-D683 PolarHBondContact O-N 2.91Å |
| 680 | V | 87.1 | Confident | 88.5 | Confident | 7 Ų | 7 | 26.7 Ų | 26.7 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -50.9 | -38.7 | 177.8 | 172.3 | 0 | 0 | 0 | 0 | 112.4 | Q270 M290 N676 I678 A684 | Q270-V680 HydrophobicContact CG-CG1 4.19Å; M290-V680 HydrophobicContact CG-CG2 3.56Å; M290-V680 WeakPolarHBondContact SD-CA 3.32Å; M290-V680 HydrophobicContact SD-CB 3.71Å; M290-V680 HydrophobicContact SD-CG1 4.17Å; M290-V680 HydrophobicContact SD-CG2 3.22Å; M290-V680 WeakPolarHBondContact SD-CG2 3.12Å; N676-V680 WeakPolarHBondContact O-CB 3.44Å; N676-V680 WeakPolarHBondContact O-CG2 3.34Å; N676-V680 PolarHBondContact O-N 3.01Å; I678-V680 PolarHBondContact O-N 3.48Å; V680-A684 VanDerWaalsContact O-CB 3.3Å; V680-A684 WeakPolarHBondContact O-CB 3.38Å; V680-A684 PolarHBondContact O-N 3.38Å |
| 681 | R | 86.5 | Confident | 88.1 | Confident | 5 Ų | 5 | 24.9 Ų | 24.9 | 2% | 0.019 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -85.3 | -38.7 | -176.9 | -53.2 | -56.7 | 168.4 | 170.5 | 0.8 | 111.5 | T259 W260 C265 T266 H268 I678 E679 D683 K685 | T259-R681 PolarHBondContact O-NH1 3.47Å; W260-R681 WeakPolarHBondContact O-CD 3.18Å; W260-R681 PolarHBondContact O-NH1 3.14Å; C265-R681 PolarHBondContact O-NH2 2.78Å; T266-R681 PolarHBondContact O-NH2 3.43Å; H268-R681 PolarHBondContact O-NH2 2.9Å; I678-R681 PolarHBondContact O-N 2.73Å; I678-R681 VanDerWaalsContact O-N 3.11Å; E679-R681 PolarHBondContact O-N 3.25Å; R681-D683 VanDerWaalsContact C-N 3.34Å; R681-K685 WeakPolarHBondContact O-CB 3.32Å; R681-K685 PolarHBondContact O-N 3.44Å |
| 682 | R | 85.5 | Confident | 88 | Confident | 22 Ų | 22 | 23.9 Ų | 23.9 | 8% | 0.083 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.3 | -47.4 | 174.4 | -171.3 | -172 | 76 | 171.8 | 18.2 | 110.7 | S596 N597 E650 I678 E679 K685 K686 | S596-R682 PolarHBondContact O-NH1 2.78Å; S596-R682 PolarHBondContact OG-NH1 3.39Å; S596-R682 PolarHBondContact OG-NH2 2.7Å; N597-R682 VanDerWaalsContact CA-NH1 3.28Å; N597-R682 PolarHBondContact OD1-NH1 3.03Å; E650-R682 IonicContact OE2-NH2 3.77Å; I678-R682 PolarHBondContact O-N 3.06Å; E679-R682 WeakPolarHBondContact O-CB 3.44Å; E679-R682 PolarHBondContact O-N 3.39Å; E679-R682 VanDerWaalsContact O-N 3.09Å; E679-R682 IonicContact OE1-CZ 2.66Å; E679-R682 IonicContact OE1-NE 3.98Å; E679-R682 IonicContact OE1-NH1 3.16Å; E679-R682 IonicContact OE1-NH2 3.7Å; E679-R682 PolarHBondContact OE1-NH2 2.66Å; E679-R682 IonicContact OE2-CZ 3.07Å; E679-R682 IonicContact OE2-NE 3.59Å; E679-R682 PolarHBondContact OE2-NE 3.48Å; E679-R682 IonicContact OE2-NH1 3.61Å; E679-R682 PolarHBondContact OE2-NH1 3.35Å; E679-R682 IonicContact OE2-NH2 2.64Å; E679-R682 PolarHBondContact OE2-NH2 2.85Å; E679-R682 VanDerWaalsContact OE2-NH2 3.11Å; R682-K685 WeakPolarHBondContact O-CB 3.16Å; R682-K685 PolarHBondContact O-N 2.91Å; R682-K686 WeakPolarHBondContact O-CB 3.42Å; R682-K686 PolarHBondContact O-N 2.87Å |
| 683 | D | 87.5 | Confident | 87.8 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -75.1 | -35 | -176.1 | -61 | -17.7 | 0 | 0 | 0 | 111.8 | Y286 F287 M290 E679 R681 K685 K686 M687 | Y286-D683 HydrophobicContact CE1-CB 4.47Å; Y286-D683 PolarHBondContact OH-OD2 3.28Å; F287-D683 HydrophobicContact CE1-CB 4.12Å; F287-D683 HydrophobicContact CZ-CB 4.14Å; M290-D683 HydrophobicContact CE-CB 4.22Å; M290-D683 WeakPolarHBondContact CE-OD2 3.39Å; E679-D683 WeakPolarHBondContact CG-OD2 3.4Å; E679-D683 WeakPolarHBondContact O-CB 3.44Å; E679-D683 PolarHBondContact O-N 2.91Å; R681-D683 VanDerWaalsContact C-N 3.34Å; D683-K685 VanDerWaalsContact C-N 3.3Å; D683-K685 PolarHBondContact O-N 3.4Å; D683-K686 WeakPolarHBondContact O-CB 3.02Å; D683-K686 PolarHBondContact O-N 3.33Å; D683-M687 VanDerWaalsContact O-CG 3.24Å; D683-M687 WeakPolarHBondContact O-CG 3.31Å; D683-M687 PolarHBondContact O-N 3.45Å |
| 684 | A | 86.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.5 | -44 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | W260 A261 F287 V680 M687 I688 | W260-A684 HydrophobicContact CD2-CB 3.62Å; W260-A684 VanDerWaalsContact CE2-CB 3.5Å; W260-A684 HydrophobicContact CE3-CB 3.89Å; W260-A684 HydrophobicContact CG-CB 4.16Å; W260-A684 HydrophobicContact CH2-CB 3.99Å; W260-A684 HydrophobicContact CZ2-CB 3.73Å; W260-A684 HydrophobicContact CZ3-CB 4.04Å; A261-A684 HydrophobicContact CB-CB 3.98Å; F287-A684 HydrophobicContact CE1-CB 4.14Å; F287-A684 HydrophobicContact CZ-CB 4.35Å; V680-A684 VanDerWaalsContact O-CB 3.3Å; V680-A684 WeakPolarHBondContact O-CB 3.38Å; V680-A684 PolarHBondContact O-N 3.38Å; A684-M687 PolarHBondContact O-N 3.4Å; A684-I688 WeakPolarHBondContact O-CG1 3.42Å; A684-I688 PolarHBondContact O-N 3.47Å |
| 685 | K | 83.6 | Confident | 87.6 | Confident | 43 Ų | 43 | 20.1 Ų | 20.1 | 19% | 0.187 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.3 | -41.4 | 177 | -175.2 | -175.7 | 177.6 | -158.3 | 0 | 112 | A261 E604 R681 R682 D683 M687 I688 N689 | A261-K685 HydrophobicContact CB-CB 4.24Å; E604-K685 IonicContact OE1-NZ 3.82Å; E604-K685 WeakPolarHBondContact OE2-CE 3.04Å; E604-K685 IonicContact OE2-NZ 3.34Å; E604-K685 PolarHBondContact OE2-NZ 3.07Å; R681-K685 WeakPolarHBondContact O-CB 3.32Å; R681-K685 PolarHBondContact O-N 3.44Å; R682-K685 WeakPolarHBondContact O-CB 3.16Å; R682-K685 PolarHBondContact O-N 2.91Å; D683-K685 VanDerWaalsContact C-N 3.3Å; D683-K685 PolarHBondContact O-N 3.4Å; K685-M687 VanDerWaalsContact C-N 3.34Å; K685-M687 PolarHBondContact O-N 2.92Å; K685-I688 PolarHBondContact O-N 3.04Å; K685-N689 WeakPolarHBondContact CG-ND2 3.36Å; K685-N689 WeakPolarHBondContact O-CB 3.16Å; K685-N689 PolarHBondContact O-N 3.39Å; K685-N689 PolarHBondContact O-ND2 3.22Å |
| 686 | K | 85.4 | Confident | 87.4 | Confident | 61 Ų | 61 | 22.6 Ų | 22.6 | 27% | 0.265 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -54.4 | -50.4 | 173.1 | -171.2 | -178.3 | -178.2 | 175.9 | 0 | 110.2 | L639 E647 R682 D683 I688 N689 H690 | L639-K686 HydrophobicContact CD2-CD 4.44Å; L639-K686 HydrophobicContact CD2-CG 4.14Å; E647-K686 IonicContact OE1-NZ 3.76Å; E647-K686 PolarHBondContact OE1-NZ 3.33Å; R682-K686 WeakPolarHBondContact O-CB 3.42Å; R682-K686 PolarHBondContact O-N 2.87Å; D683-K686 WeakPolarHBondContact O-CB 3.02Å; D683-K686 PolarHBondContact O-N 3.33Å; K686-I688 VanDerWaalsContact C-N 3.31Å; K686-I688 PolarHBondContact O-N 2.9Å; K686-N689 PolarHBondContact O-N 2.92Å; K686-H690 VanDerWaalsContact CG-CE1 3.48Å; K686-H690 WeakPolarHBondContact CG-CE1 3.22Å; K686-H690 WeakPolarHBondContact O-CB 3.47Å; K686-H690 PolarHBondContact O-N 2.94Å; K686-H690 PolarHBondContact O-ND1 3.28Å |
| 687 | M | 86.2 | Confident | 87.1 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.2 | -35.3 | 179.2 | -69.8 | -70.9 | 161 | 0 | 0 | 113.7 | F279 V283 F287 L639 G643 V644 D683 A684 K685 | F279-M687 HydrophobicContact CE1-CB 4.37Å; F279-M687 HydrophobicContact CE2-CB 4.34Å; F279-M687 HydrophobicContact CZ-CB 4.01Å; V283-M687 HydrophobicContact CG1-SD 4.36Å; F287-M687 HydrophobicContact CE2-CG 3.97Å; F287-M687 HydrophobicContact CZ-CG 4.02Å; L639-M687 HydrophobicContact CD1-CE 4.07Å; L639-M687 HydrophobicContact CD1-SD 3.61Å; G643-M687 WeakPolarHBondContact O-CE 3.48Å; V644-M687 HydrophobicContact CG2-CE 4.26Å; D683-M687 VanDerWaalsContact O-CG 3.24Å; D683-M687 WeakPolarHBondContact O-CG 3.31Å; D683-M687 PolarHBondContact O-N 3.45Å; A684-M687 PolarHBondContact O-N 3.4Å; K685-M687 VanDerWaalsContact C-N 3.34Å; K685-M687 PolarHBondContact O-N 2.92Å |
| 688 | I | 84.4 | Confident | 87.1 | Confident | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -75.4 | -35.8 | 177.8 | -67 | 176.1 | 0 | 0 | 0 | 111.7 | V224 R239 L242 R243 W260 A261 F279 A684 K685 K686 | V224-I688 HydrophobicContact CG1-CG2 3.64Å; V224-I688 HydrophobicContact CG2-CG2 3.93Å; R239-I688 HydrophobicContact CG-CG2 4.05Å; R239-I688 VanDerWaalsContact CZ-O 3.23Å; R239-I688 PolarHBondContact NE-O 2.84Å; R239-I688 PolarHBondContact NH2-O 2.77Å; L242-I688 HydrophobicContact CB-CD1 3.83Å; R243-I688 HydrophobicContact CB-CD1 4.19Å; W260-I688 HydrophobicContact CE3-CD1 4.26Å; W260-I688 HydrophobicContact CZ3-CD1 4.43Å; W260-I688 HydrophobicContact CZ3-CG1 4.36Å; A261-I688 HydrophobicContact CB-CD1 3.45Å; A261-I688 VanDerWaalsContact CB-CD1 3.45Å; F279-I688 HydrophobicContact CZ-CG1 4.47Å; A684-I688 WeakPolarHBondContact O-CG1 3.42Å; A684-I688 PolarHBondContact O-N 3.47Å; K685-I688 PolarHBondContact O-N 3.04Å; K686-I688 VanDerWaalsContact C-N 3.31Å; K686-I688 PolarHBondContact O-N 2.9Å |
| 689 | N | 82 | Confident | 87.2 | Confident | 51 Ų | 51 | 23.2 Ų | 23.2 | 27% | 0.273 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -89.8 | -14.9 | -174.2 | -68.8 | -23.6 | 0 | 0 | 0 | 114.2 | L636 K685 K686 | L636-N689 WeakPolarHBondContact CD2-O 3.35Å; K685-N689 WeakPolarHBondContact CG-ND2 3.36Å; K685-N689 WeakPolarHBondContact O-CB 3.16Å; K685-N689 PolarHBondContact O-N 3.39Å; K685-N689 PolarHBondContact O-ND2 3.22Å; K686-N689 PolarHBondContact O-N 2.92Å |
| 690 | H | 86.2 | Confident | 87.4 | Confident | 34 Ų | 34 | 23.5 Ų | 23.5 | 16% | 0.157 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -91.6 | 171.3 | 176.3 | -71.2 | 67.2 | 0 | 0 | 0 | 111.8 | H220 L639 K686 R692 | H220-H690 PolarHBondContact NE2-O 3.4Å; H220-H690 VanDerWaalsContact NE2-O 3.14Å; L639-H690 HydrophobicContact CD1-CB 4.19Å; L639-H690 HydrophobicContact CD2-CB 3.75Å; L639-H690 HydrophobicContact CG-CB 3.7Å; K686-H690 VanDerWaalsContact CG-CE1 3.48Å; K686-H690 WeakPolarHBondContact CG-CE1 3.22Å; K686-H690 WeakPolarHBondContact O-CB 3.47Å; K686-H690 PolarHBondContact O-N 2.94Å; K686-H690 PolarHBondContact O-ND1 3.28Å; H690-R692 PolarHBondContact O-N 3.04Å |
| 691 | R | 88.5 | Confident | 87.6 | Confident | 22 Ų | 22 | 23.9 Ų | 23.9 | 8% | 0.083 | 12% | 0.123 | C | C | . | . | B | Isolated β-bridge | trans | -61.7 | 132.5 | 172.3 | -168.5 | -178.3 | -60.7 | -177.9 | 2.4 | 110.1 | Y217 D633 L634 L636 E637 | Y217-R691 VanDerWaalsContact CB-CD 3.49Å; Y217-R691 HydrophobicContact CD2-CG 4.09Å; Y217-R691 HydrophobicContact CG-CG 4.05Å; D633-R691 PolarHBondContact O-NE 3.34Å; L634-R691 PolarHBondContact O-NH2 2.91Å; L636-R691 HydrophobicContact CB-CB 4.12Å; L636-R691 PolarHBondContact O-NE 3.35Å; L636-R691 PolarHBondContact O-NH2 3.47Å; E637-R691 WeakPolarHBondContact O-CB 3.47Å; E637-R691 PolarHBondContact O-N 3.44Å |
| 692 | R | 90 | Very high | 87.7 | Confident | 9 Ų | 9 | 25.7 Ų | 25.7 | 3% | 0.034 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -52 | 123.5 | -180 | -166.8 | 173.9 | -177.2 | 177.4 | -2.1 | 111.4 | P218 V219 H220 Y278 F279 H690 | P218-R692 HydrophobicContact CG-CB 4.07Å; P218-R692 HydrophobicContact CG-CG 4.05Å; V219-R692 PolarHBondContact O-NH1 3.21Å; H220-R692 PolarHBondContact NE2-N 3.46Å; Y278-R692 PolarHBondContact O-NE 3.04Å; Y278-R692 PolarHBondContact O-NH2 2.03Å; F279-R692 HydrophobicContact CD1-CG 4.47Å; H690-R692 PolarHBondContact O-N 3.04Å |
| 693 | P | 91.6 | Very high | 88 | Confident | 10 Ų | 10 | 25 Ų | 25 | 7% | 0.065 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -67.3 | 152.3 | 174.8 | 27.9 | -34.3 | 0 | 0 | 0 | 110.6 | F279 V283 L639 D642 P695 | F279-P693 HydrophobicContact CD1-CG 4.08Å; V283-P693 HydrophobicContact CG2-CG 4.17Å; L639-P693 HydrophobicContact CD1-CG 4.41Å; D642-P693 HydrophobicContact CB-CB 4.36Å; P693-P695 VanDerWaalsContact O-CD 3.29Å; P693-P695 WeakPolarHBondContact O-CD 3.28Å |
| 694 | V | 90.7 | Very high | 88.4 | Confident | 24 Ų | 24 | 25.5 Ų | 25.5 | 15% | 0.145 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 122.5 | 173.8 | 176.1 | 0 | 0 | 0 | 0 | 108.6 | F48 W186 V696 | F48-V694 HydrophobicContact CE1-CG2 4.21Å; F48-V694 HydrophobicContact CZ-CG1 4.47Å; W186-V694 HydrophobicContact CB-CG1 3.8Å; W186-V694 HydrophobicContact CD2-CB 4.45Å; W186-V694 HydrophobicContact CD2-CG1 3.56Å; W186-V694 HydrophobicContact CD2-CG2 4.11Å; W186-V694 HydrophobicContact CE3-CG1 4.13Å; W186-V694 HydrophobicContact CE3-CG2 3.93Å; W186-V694 HydrophobicContact CG-CG1 3.4Å; W186-V694 HydrophobicContact CH2-CG2 4.23Å; W186-V694 HydrophobicContact CZ2-CG2 4.38Å; W186-V694 HydrophobicContact CZ3-CG2 4Å; V694-V696 PolarHBondContact O-N 3.39Å |
| 695 | P | 90.9 | Very high | 88.8 | Confident | 5 Ų | 5 | 26.4 Ų | 26.4 | 3% | 0.032 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 128.9 | -179 | -23.1 | 35.8 | 0 | 0 | 0 | 112.1 | A179 Q182 A183 P693 | A179-P695 HydrophobicContact CB-CB 3.84Å; A179-P695 HydrophobicContact CB-CG 3.99Å; A179-P695 VanDerWaalsContact O-CB 3.31Å; A179-P695 WeakPolarHBondContact O-CB 3.43Å; Q182-P695 HydrophobicContact CB-CG 4Å; A183-P695 HydrophobicContact CB-CB 4.32Å; A183-P695 VanDerWaalsContact CB-O 3.23Å; A183-P695 WeakPolarHBondContact CB-O 3.36Å; P693-P695 VanDerWaalsContact O-CD 3.29Å; P693-P695 WeakPolarHBondContact O-CD 3.28Å |
| 696 | V | 86.4 | Confident | 89.4 | Confident | 58 Ų | 58 | 26.8 Ų | 26.8 | 35% | 0.352 | 15% | 0.154 | S | C | . | . | trans | -117.2 | 134.2 | 176.7 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | K282 V694 V698 | K282-V696 HydrophobicContact CB-CB 4.47Å; K282-V696 HydrophobicContact CD-CB 4.49Å; K282-V696 PolarHBondContact N-O 3.35Å; V694-V696 PolarHBondContact O-N 3.39Å; V696-V698 HydrophobicContact CG1-CG1 4.13Å | ||
| 697 | R | 86.3 | Confident | 89.9 | Confident | 54 Ų | 54 | 23.9 Ų | 23.9 | 20% | 0.204 | 14% | 0.141 | C | C | . | . | trans | -80.3 | 121.8 | 173.6 | -63 | -171 | -63.1 | 165.6 | 0.1 | 109.5 | W107 V109 L403 | W107-R697 PolarHBondContact O-NH1 3.07Å; V109-R697 VanDerWaalsContact CG2-NH1 3.34Å; L403-R697 HydrophobicContact CD1-CB 3.83Å | ||
| 698 | V | 89 | Confident | 90.4 | Very high | 38 Ų | 38 | 24 Ų | 24 | 23% | 0.23 | 14% | 0.142 | C | C | . | . | trans | -137.8 | 153.9 | 175.7 | -63.1 | 0 | 0 | 0 | 0 | 109 | H281 K282 F285 T400 V696 | H281-V698 HydrophobicContact CB-CG2 4.06Å; K282-V698 HydrophobicContact CB-CG2 4.14Å; F285-V698 HydrophobicContact CD2-CG2 3.78Å; F285-V698 HydrophobicContact CE2-CG2 4.29Å; F285-V698 WeakPolarHBondContact CE2-O 3.31Å; T400-V698 WeakPolarHBondContact CB-O 3.24Å; T400-V698 PolarHBondContact OG1-O 3.22Å; V696-V698 HydrophobicContact CG1-CG1 4.13Å | ||
| 699 | S | 88.9 | Confident | 90.9 | Very high | 37 Ų | 37 | 26.9 Ų | 26.9 | 26% | 0.259 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -94.1 | 3.1 | 177.8 | 68.7 | 0 | 0 | 0 | 0 | 113.5 | A395 T400 | A395-S699 WeakPolarHBondContact CB-O 3.48Å; T400-S699 WeakPolarHBondContact O-CB 3.43Å |
| 700 | G | 91.5 | Very high | 91.6 | Very high | 10 Ų | 10 | 31.4 Ų | 31.4 | 10% | 0.103 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 167.4 | -172.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E391 G702 | E391-G700 WeakPolarHBondContact OE1-CA 3.47Å; G700-G702 VanDerWaalsContact C-N 3.28Å |
| 701 | I | 92.1 | Very high | 92.1 | Very high | 15 Ų | 15 | 29.8 Ų | 29.8 | 8% | 0.077 | 16% | 0.161 | C | C | . | . | trans | -79.3 | -11.9 | 178.3 | 63.4 | 171.5 | 0 | 0 | 0 | 112.5 | F285 F289 W387 E391 F648 I703 W704 N705 F708 | F285-I701 HydrophobicContact CB-CG2 4.06Å; F289-I701 HydrophobicContact CD2-CD1 4.05Å; F289-I701 HydrophobicContact CE2-CD1 4.25Å; W387-I701 HydrophobicContact CZ2-CD1 4.22Å; W387-I701 HydrophobicContact CZ2-CG1 4.38Å; W387-I701 HydrophobicContact CZ2-CG2 3.8Å; W387-I701 VanDerWaalsContact NE1-CD1 3.26Å; E391-I701 PolarHBondContact OE1-N 2.94Å; F648-I701 HydrophobicContact CE1-CB 4.35Å; F648-I701 HydrophobicContact CE1-CD1 4.44Å; F648-I701 HydrophobicContact CE1-CG2 3.96Å; F648-I701 HydrophobicContact CE2-CG2 4.37Å; F648-I701 HydrophobicContact CZ-CB 4.05Å; F648-I701 HydrophobicContact CZ-CG2 3.46Å; F648-I701 VanDerWaalsContact CZ-CG2 3.46Å; I701-I703 PolarHBondContact O-N 3.28Å; I701-W704 HydrophobicContact CB-CB 4.17Å; I701-W704 HydrophobicContact CD1-CB 3.8Å; I701-W704 HydrophobicContact CG1-CB 4.06Å; I701-N705 WeakPolarHBondContact CD1-OD1 3.44Å; I701-N705 WeakPolarHBondContact CG1-OD1 3.49Å; I701-F708 HydrophobicContact CD1-CE2 4.45Å | ||
| 702 | G | 89.2 | Confident | 92.4 | Very high | 43 Ų | 43 | 28.9 Ų | 28.9 | 44% | 0.443 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | -121.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G700 W704 N705 | G700-G702 VanDerWaalsContact C-N 3.28Å; G702-W704 PolarHBondContact O-N 2.85Å; G702-N705 WeakPolarHBondContact O-CB 3.48Å; G702-N705 PolarHBondContact O-N 3.2Å |
| 703 | I | 92 | Very high | 92.7 | Very high | 7 Ų | 7 | 32.7 Ų | 32.7 | 4% | 0.036 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.3 | -28 | -175.2 | -169.7 | 168.1 | 0 | 0 | 0 | 113.4 | F530 L533 W534 I701 N705 T706 F707 | F530-I703 HydrophobicContact CB-CD1 3.86Å; F530-I703 HydrophobicContact CD1-CB 4.03Å; F530-I703 HydrophobicContact CD1-CD1 4Å; F530-I703 HydrophobicContact CD1-CG2 4.29Å; F530-I703 HydrophobicContact CD2-CD1 4.27Å; F530-I703 HydrophobicContact CE1-CB 3.82Å; F530-I703 HydrophobicContact CE1-CG2 4.2Å; F530-I703 HydrophobicContact CG-CB 4.47Å; F530-I703 HydrophobicContact CG-CD1 3.8Å; F530-I703 HydrophobicContact CZ-CB 4.08Å; L533-I703 HydrophobicContact CB-CD1 4.34Å; L533-I703 HydrophobicContact CD1-CG2 3.6Å; W534-I703 HydrophobicContact CG-CD1 4.25Å; I701-I703 PolarHBondContact O-N 3.28Å; I703-N705 PolarHBondContact O-N 3.44Å; I703-T706 WeakPolarHBondContact O-CA 3.27Å; I703-T706 VanDerWaalsContact O-CB 3.3Å; I703-T706 WeakPolarHBondContact O-CB 3.46Å; I703-T706 PolarHBondContact O-N 2.9Å; I703-F707 HydrophobicContact CD1-CE1 3.7Å; I703-F707 HydrophobicContact CD1-CE2 4.43Å; I703-F707 HydrophobicContact CD1-CZ 3.51Å; I703-F707 HydrophobicContact CG1-CD1 4.2Å; I703-F707 HydrophobicContact CG1-CE1 3.59Å; I703-F707 HydrophobicContact CG1-CE2 4.25Å; I703-F707 HydrophobicContact CG1-CZ 3.61Å; I703-F707 HydrophobicContact CG2-CE2 4.44Å; I703-F707 HydrophobicContact CG2-CZ 4.5Å; I703-F707 PolarHBondContact O-N 3.06Å; I703-F707 VanDerWaalsContact O-N 3.08Å |
| 704 | W | 95 | Very high | 92.9 | Very high | 13 Ų | 13 | 34.8 Ų | 34.8 | 5% | 0.049 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.9 | -36 | 178.6 | -60.3 | 117.6 | 0 | 0 | 0 | 112.2 | L533 V645 F648 M649 I652 I701 G702 T706 F707 F708 | L533-W704 HydrophobicContact CD1-CZ2 4.24Å; L533-W704 HydrophobicContact CD2-CH2 3.89Å; L533-W704 HydrophobicContact CD2-CZ2 3.79Å; V645-W704 HydrophobicContact CB-CZ2 4.47Å; V645-W704 HydrophobicContact CG1-CH2 4.5Å; V645-W704 HydrophobicContact CG1-CZ2 4.18Å; F648-W704 HydrophobicContact CB-CD2 3.58Å; F648-W704 HydrophobicContact CB-CE3 3.81Å; F648-W704 HydrophobicContact CB-CG 4.22Å; F648-W704 HydrophobicContact CB-CH2 3.66Å; F648-W704 HydrophobicContact CB-CZ2 3.43Å; F648-W704 VanDerWaalsContact CB-CZ2 3.43Å; F648-W704 HydrophobicContact CB-CZ3 3.84Å; F648-W704 HydrophobicContact CD1-CB 4.45Å; F648-W704 HydrophobicContact CD1-CD2 4.26Å; F648-W704 HydrophobicContact CD1-CG 4.06Å; F648-W704 AromaticContact CD2-CD1 3.71Å; F648-W704 HydrophobicContact CD2-CD2 4.44Å; F648-W704 AromaticContact CD2-CE2 3.94Å; F648-W704 HydrophobicContact CD2-CG 4.36Å; F648-W704 AromaticContact CD2-NE1 3.46Å; F648-W704 AromaticContact CG-CD1 3.79Å; F648-W704 AromaticContact CG-CD2 3.89Å; F648-W704 HydrophobicContact CG-CD2 3.89Å; F648-W704 AromaticContact CG-CE2 3.74Å; F648-W704 HydrophobicContact CG-CE3 4.49Å; F648-W704 AromaticContact CG-CG 3.99Å; F648-W704 HydrophobicContact CG-CG 3.99Å; F648-W704 HydrophobicContact CG-CZ2 4.27Å; F648-W704 AromaticContact CG-NE1 3.68Å; M649-W704 HydrophobicContact CB-CH2 4.28Å; M649-W704 HydrophobicContact CE-CH2 4.05Å; M649-W704 HydrophobicContact CE-CZ3 4.24Å; M649-W704 HydrophobicContact SD-CH2 4.5Å; M649-W704 HydrophobicContact SD-CZ3 4.25Å; I652-W704 HydrophobicContact CG2-CZ3 4.3Å; I701-W704 HydrophobicContact CB-CB 4.17Å; I701-W704 HydrophobicContact CD1-CB 3.8Å; I701-W704 HydrophobicContact CG1-CB 4.06Å; G702-W704 PolarHBondContact O-N 2.85Å; W704-T706 VanDerWaalsContact C-N 3.28Å; W704-T706 PolarHBondContact O-N 3.12Å; W704-F707 HydrophobicContact CD2-CD2 4.39Å; W704-F707 AromaticContact CE3-CD2 3.52Å; W704-F707 HydrophobicContact CE3-CD2 3.52Å; W704-F707 AromaticContact CE3-CE2 3.94Å; W704-F707 HydrophobicContact CE3-CE2 3.94Å; W704-F707 AromaticContact CZ3-CD2 3.79Å; W704-F707 HydrophobicContact CZ3-CD2 3.79Å; W704-F707 AromaticContact CZ3-CE2 3.91Å; W704-F707 HydrophobicContact CZ3-CE2 3.91Å; W704-F707 PolarHBondContact O-N 3.5Å; W704-F707 VanDerWaalsContact O-N 3.15Å; W704-F708 HydrophobicContact CB-CE2 4.47Å; W704-F708 WeakPolarHBondContact O-CD2 3.39Å; W704-F708 PolarHBondContact O-N 3.45Å |
| 705 | N | 95 | Very high | 93.1 | Very high | 18 Ų | 18 | 33.6 Ų | 33.6 | 10% | 0.096 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57 | -44 | 173.1 | -79 | -33.8 | 0 | 0 | 0 | 111.4 | W387 E391 I701 G702 I703 F708 E709 | W387-N705 PolarHBondContact NE1-OD1 3.48Å; W387-N705 VanDerWaalsContact NE1-OD1 3.09Å; E391-N705 PolarHBondContact OE1-ND2 3.1Å; E391-N705 VanDerWaalsContact OE1-ND2 3.13Å; E391-N705 PolarHBondContact OE2-ND2 3.42Å; I701-N705 WeakPolarHBondContact CD1-OD1 3.44Å; I701-N705 WeakPolarHBondContact CG1-OD1 3.49Å; G702-N705 WeakPolarHBondContact O-CB 3.48Å; G702-N705 PolarHBondContact O-N 3.2Å; I703-N705 PolarHBondContact O-N 3.44Å; N705-F708 PolarHBondContact O-N 2.89Å; N705-E709 WeakPolarHBondContact O-CG 3.46Å; N705-E709 PolarHBondContact O-N 3.38Å |
| 706 | T | 95.4 | Very high | 93.3 | Very high | 52 Ų | 52 | 33.4 Ų | 33.4 | 32% | 0.319 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 176.9 | -53.9 | 0 | 0 | 0 | 0 | 110.5 | W534 I703 W704 F708 E709 W710 | W534-T706 HydrophobicContact CH2-CG2 4.19Å; W534-T706 HydrophobicContact CZ2-CG2 3.76Å; I703-T706 WeakPolarHBondContact O-CA 3.27Å; I703-T706 VanDerWaalsContact O-CB 3.3Å; I703-T706 WeakPolarHBondContact O-CB 3.46Å; I703-T706 PolarHBondContact O-N 2.9Å; W704-T706 VanDerWaalsContact C-N 3.28Å; W704-T706 PolarHBondContact O-N 3.12Å; T706-F708 PolarHBondContact O-N 2.91Å; T706-E709 WeakPolarHBondContact O-CB 3.4Å; T706-E709 PolarHBondContact O-N 3.25Å; T706-W710 PolarHBondContact O-N 2.9Å |
| 707 | F | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 178.4 | -59.5 | -20.5 | 0 | 0 | 0 | 112.6 | L533 W534 F537 I652 I703 W704 E709 W710 V711 | L533-F707 HydrophobicContact CB-CE2 4.05Å; L533-F707 HydrophobicContact CB-CZ 3.91Å; W534-F707 HydrophobicContact CD2-CD1 4.29Å; W534-F707 AromaticContact CD2-CE1 3.42Å; W534-F707 HydrophobicContact CD2-CE1 3.42Å; W534-F707 VanDerWaalsContact CD2-CE1 3.42Å; W534-F707 HydrophobicContact CD2-CZ 4.23Å; W534-F707 AromaticContact CE2-CE1 3.55Å; W534-F707 HydrophobicContact CE3-CD1 4.11Å; W534-F707 AromaticContact CE3-CE1 3.55Å; W534-F707 HydrophobicContact CE3-CE1 3.55Å; W534-F707 HydrophobicContact CE3-CZ 4.46Å; W534-F707 AromaticContact CG-CE1 3.92Å; W534-F707 HydrophobicContact CG-CE1 3.92Å; W534-F707 HydrophobicContact CG-CZ 4.3Å; W534-F707 AromaticContact CH2-CD1 3.8Å; W534-F707 HydrophobicContact CH2-CD1 3.8Å; W534-F707 AromaticContact CH2-CE1 3.91Å; W534-F707 HydrophobicContact CH2-CE1 3.91Å; W534-F707 AromaticContact CZ2-CD1 4Å; W534-F707 HydrophobicContact CZ2-CD1 4Å; W534-F707 AromaticContact CZ2-CE1 3.81Å; W534-F707 HydrophobicContact CZ2-CE1 3.81Å; W534-F707 AromaticContact CZ3-CD1 3.86Å; W534-F707 HydrophobicContact CZ3-CD1 3.86Å; W534-F707 AromaticContact CZ3-CE1 3.79Å; W534-F707 HydrophobicContact CZ3-CE1 3.79Å; F537-F707 HydrophobicContact CB-CD2 4.11Å; F537-F707 HydrophobicContact CB-CE1 4.48Å; F537-F707 HydrophobicContact CB-CE2 3.81Å; F537-F707 HydrophobicContact CB-CZ 4.01Å; F537-F707 HydrophobicContact CD1-CB 4.3Å; F537-F707 AromaticContact CD1-CD1 3.77Å; F537-F707 HydrophobicContact CD1-CD1 3.77Å; F537-F707 HydrophobicContact CD1-CD2 4.22Å; F537-F707 HydrophobicContact CD1-CE1 4.07Å; F537-F707 HydrophobicContact CD1-CE2 4.49Å; F537-F707 AromaticContact CD1-CG 3.87Å; F537-F707 HydrophobicContact CD1-CG 3.87Å; F537-F707 HydrophobicContact CD1-CZ 4.42Å; F537-F707 HydrophobicContact CD2-CB 4.48Å; F537-F707 HydrophobicContact CD2-CD2 4.18Å; F537-F707 HydrophobicContact CD2-CG 4.37Å; F537-F707 HydrophobicContact CE1-CB 4.07Å; F537-F707 HydrophobicContact CE1-CD1 4.11Å; F537-F707 HydrophobicContact CE1-CG 4.12Å; F537-F707 HydrophobicContact CE2-CB 4.26Å; F537-F707 HydrophobicContact CG-CD1 4.28Å; F537-F707 AromaticContact CG-CD2 3.89Å; F537-F707 HydrophobicContact CG-CD2 3.89Å; F537-F707 HydrophobicContact CG-CE1 4.45Å; F537-F707 HydrophobicContact CG-CE2 4.09Å; F537-F707 HydrophobicContact CG-CG 4.01Å; F537-F707 HydrophobicContact CG-CZ 4.37Å; F537-F707 HydrophobicContact CZ-CB 4.05Å; F537-F707 HydrophobicContact CZ-CG 4.48Å; I652-F707 HydrophobicContact CD1-CB 3.09Å; I652-F707 HydrophobicContact CD1-CD2 4.28Å; I652-F707 HydrophobicContact CD1-CG 4.18Å; I703-F707 HydrophobicContact CD1-CE1 3.7Å; I703-F707 HydrophobicContact CD1-CE2 4.43Å; I703-F707 HydrophobicContact CD1-CZ 3.51Å; I703-F707 HydrophobicContact CG1-CD1 4.2Å; I703-F707 HydrophobicContact CG1-CE1 3.59Å; I703-F707 HydrophobicContact CG1-CE2 4.25Å; I703-F707 HydrophobicContact CG1-CZ 3.61Å; I703-F707 HydrophobicContact CG2-CE2 4.44Å; I703-F707 HydrophobicContact CG2-CZ 4.5Å; I703-F707 PolarHBondContact O-N 3.06Å; I703-F707 VanDerWaalsContact O-N 3.08Å; W704-F707 HydrophobicContact CD2-CD2 4.39Å; W704-F707 AromaticContact CE3-CD2 3.52Å; W704-F707 HydrophobicContact CE3-CD2 3.52Å; W704-F707 AromaticContact CE3-CE2 3.94Å; W704-F707 HydrophobicContact CE3-CE2 3.94Å; W704-F707 AromaticContact CZ3-CD2 3.79Å; W704-F707 HydrophobicContact CZ3-CD2 3.79Å; W704-F707 AromaticContact CZ3-CE2 3.91Å; W704-F707 HydrophobicContact CZ3-CE2 3.91Å; W704-F707 PolarHBondContact O-N 3.5Å; W704-F707 VanDerWaalsContact O-N 3.15Å; F707-E709 VanDerWaalsContact C-N 3.32Å; F707-E709 PolarHBondContact O-N 2.98Å; F707-W710 PolarHBondContact O-N 3.44Å; F707-W710 VanDerWaalsContact O-N 3.15Å; F707-V711 WeakPolarHBondContact O-CG2 3.45Å; F707-V711 PolarHBondContact O-N 3.25Å |
| 708 | F | 96.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.1 | -40 | 175 | -75.6 | -72.1 | 0 | 0 | 0 | 112.1 | F289 F383 L384 I652 F655 I701 W704 N705 T706 W710 V711 V712 | F289-F708 HydrophobicContact CE1-CE1 4.48Å; F289-F708 AromaticContact CE1-CE2 3.86Å; F289-F708 HydrophobicContact CE1-CE2 3.86Å; F289-F708 AromaticContact CE1-CZ 3.56Å; F289-F708 HydrophobicContact CE1-CZ 3.56Å; F289-F708 HydrophobicContact CE2-CD2 4.39Å; F289-F708 AromaticContact CE2-CE2 3.88Å; F289-F708 HydrophobicContact CE2-CE2 3.88Å; F289-F708 HydrophobicContact CE2-CZ 4.17Å; F289-F708 HydrophobicContact CZ-CD2 4.13Å; F289-F708 AromaticContact CZ-CE1 3.86Å; F289-F708 HydrophobicContact CZ-CE1 3.86Å; F289-F708 AromaticContact CZ-CE2 3.3Å; F289-F708 HydrophobicContact CZ-CE2 3.3Å; F289-F708 AromaticContact CZ-CZ 3.16Å; F289-F708 HydrophobicContact CZ-CZ 3.16Å; F383-F708 HydrophobicContact CE1-CD1 4.44Å; L384-F708 HydrophobicContact CD2-CB 3.58Å; I652-F708 HydrophobicContact CB-CE1 4.11Å; I652-F708 HydrophobicContact CB-CZ 4.01Å; I652-F708 HydrophobicContact CD1-CD1 4.3Å; I652-F708 HydrophobicContact CD1-CD2 4.48Å; I652-F708 HydrophobicContact CD1-CE1 4.42Å; I652-F708 HydrophobicContact CD1-CG 4.29Å; I652-F708 HydrophobicContact CG1-CD1 4.08Å; I652-F708 HydrophobicContact CG1-CE1 3.88Å; I652-F708 HydrophobicContact CG1-CZ 4.17Å; F655-F708 HydrophobicContact CB-CD1 4.21Å; F655-F708 HydrophobicContact CB-CE1 3.67Å; F655-F708 AromaticContact CD1-CD1 3.63Å; F655-F708 HydrophobicContact CD1-CD1 3.63Å; F655-F708 AromaticContact CD1-CE1 4Å; F655-F708 HydrophobicContact CD1-CE1 4Å; F655-F708 HydrophobicContact CD2-CD1 4.22Å; F655-F708 HydrophobicContact CD2-CE1 4.16Å; F655-F708 AromaticContact CE1-CD1 3.99Å; F655-F708 HydrophobicContact CE1-CD1 3.99Å; F655-F708 AromaticContact CG-CD1 3.76Å; F655-F708 HydrophobicContact CG-CD1 3.76Å; F655-F708 AromaticContact CG-CE1 3.68Å; F655-F708 HydrophobicContact CG-CE1 3.68Å; F655-F708 HydrophobicContact CZ-CD1 4.44Å; I701-F708 HydrophobicContact CD1-CE2 4.45Å; W704-F708 HydrophobicContact CB-CE2 4.47Å; W704-F708 WeakPolarHBondContact O-CD2 3.39Å; W704-F708 PolarHBondContact O-N 3.45Å; N705-F708 PolarHBondContact O-N 2.89Å; T706-F708 PolarHBondContact O-N 2.91Å; F708-W710 VanDerWaalsContact C-N 3.33Å; F708-W710 PolarHBondContact O-N 3.45Å; F708-V711 PolarHBondContact O-N 2.9Å; F708-V712 WeakPolarHBondContact O-CG2 3.27Å; F708-V712 PolarHBondContact O-N 2.84Å |
| 709 | E | 95.5 | Very high | 94.4 | Very high | 64 Ų | 64 | 30.6 Ų | 30.6 | 30% | 0.299 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -59.8 | -42.2 | 173.5 | -72.8 | 170 | 175.9 | 0 | 0 | 112 | L384 K388 N705 T706 F707 V712 Q713 | L384-E709 HydrophobicContact CD1-CG 4Å; K388-E709 WeakPolarHBondContact CE-OE1 3.41Å; K388-E709 IonicContact NZ-OE1 3.93Å; K388-E709 PolarHBondContact NZ-OE1 2.82Å; N705-E709 WeakPolarHBondContact O-CG 3.46Å; N705-E709 PolarHBondContact O-N 3.38Å; T706-E709 WeakPolarHBondContact O-CB 3.4Å; T706-E709 PolarHBondContact O-N 3.25Å; F707-E709 VanDerWaalsContact C-N 3.32Å; F707-E709 PolarHBondContact O-N 2.98Å; E709-V712 PolarHBondContact O-N 3.25Å; E709-Q713 WeakPolarHBondContact O-CG 3.46Å; E709-Q713 PolarHBondContact O-N 3.47Å; E709-Q713 VanDerWaalsContact O-N 3.11Å |
| 710 | W | 95.8 | Very high | 94.7 | Very high | 145 Ų | 145 | 28.8 Ų | 28.8 | 55% | 0.549 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -65.5 | -41.3 | 176.3 | -84.8 | 77.8 | 0 | 0 | 0 | 112.6 | W534 T706 F707 F708 V712 Q713 I714 | W534-W710 AromaticContact CH2-CD1 3.74Å; W534-W710 HydrophobicContact CH2-CD2 4.24Å; W534-W710 AromaticContact CH2-CE2 3.98Å; W534-W710 HydrophobicContact CH2-CG 4.07Å; W534-W710 AromaticContact CH2-NE1 3.63Å; T706-W710 PolarHBondContact O-N 2.9Å; F707-W710 PolarHBondContact O-N 3.44Å; F707-W710 VanDerWaalsContact O-N 3.15Å; F708-W710 VanDerWaalsContact C-N 3.33Å; F708-W710 PolarHBondContact O-N 3.45Å; W710-V712 VanDerWaalsContact C-N 3.3Å; W710-V712 PolarHBondContact O-N 2.96Å; W710-Q713 WeakPolarHBondContact O-CB 3.36Å; W710-Q713 PolarHBondContact O-N 3.46Å; W710-I714 WeakPolarHBondContact O-CG1 3.5Å; W710-I714 PolarHBondContact O-N 2.7Å |
| 711 | V | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.7 | -39.5 | 175 | 175.9 | 0 | 0 | 0 | 0 | 111 | F537 I652 F655 A656 V660 F707 F708 Q713 I714 S715 | F537-V711 HydrophobicContact CE2-CG2 4.19Å; F537-V711 HydrophobicContact CZ-CG2 3.77Å; I652-V711 HydrophobicContact CD1-CG2 4.25Å; I652-V711 HydrophobicContact CG1-CG2 4.14Å; F655-V711 HydrophobicContact CD1-CB 4.26Å; F655-V711 HydrophobicContact CD1-CG1 3.76Å; F655-V711 HydrophobicContact CE1-CB 4.3Å; F655-V711 HydrophobicContact CE1-CG1 3.93Å; A656-V711 HydrophobicContact CB-CG1 3.77Å; A656-V711 HydrophobicContact CB-CG2 4.49Å; V660-V711 HydrophobicContact CG2-CG1 4.14Å; F707-V711 WeakPolarHBondContact O-CG2 3.45Å; F707-V711 PolarHBondContact O-N 3.25Å; F708-V711 PolarHBondContact O-N 2.9Å; V711-Q713 VanDerWaalsContact C-N 3.35Å; V711-Q713 PolarHBondContact O-N 2.89Å; V711-I714 PolarHBondContact O-N 2.97Å; V711-S715 VanDerWaalsContact O-CB 3.28Å; V711-S715 WeakPolarHBondContact O-CB 3.19Å; V711-S715 PolarHBondContact O-N 3.23Å |
| 712 | V | 95.9 | Very high | 94.8 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.024 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.2 | -41.4 | 174.2 | 164.5 | 0 | 0 | 0 | 0 | 111.8 | E380 V381 L384 F655 F708 E709 W710 I714 S715 V716 | E380-V712 HydrophobicContact CB-CG2 3.86Å; E380-V712 HydrophobicContact CG-CB 4.39Å; E380-V712 HydrophobicContact CG-CG1 3.9Å; E380-V712 HydrophobicContact CG-CG2 3.77Å; V381-V712 HydrophobicContact CG2-CG1 4.43Å; L384-V712 HydrophobicContact CD1-CB 4.08Å; L384-V712 HydrophobicContact CD1-CG1 4.42Å; L384-V712 HydrophobicContact CD1-CG2 3.58Å; L384-V712 HydrophobicContact CG-CG2 4.29Å; F655-V712 HydrophobicContact CE1-CG2 4.09Å; F655-V712 HydrophobicContact CZ-CG2 4.1Å; F708-V712 WeakPolarHBondContact O-CG2 3.27Å; F708-V712 PolarHBondContact O-N 2.84Å; E709-V712 PolarHBondContact O-N 3.25Å; W710-V712 VanDerWaalsContact C-N 3.3Å; W710-V712 PolarHBondContact O-N 2.96Å; V712-I714 PolarHBondContact O-N 3.03Å; V712-S715 WeakPolarHBondContact O-CB 3.22Å; V712-S715 PolarHBondContact O-N 3.26Å; V712-V716 WeakPolarHBondContact O-CG2 3.46Å; V712-V716 PolarHBondContact O-N 3.47Å |
| 713 | Q | 94.7 | Very high | 95 | Very high | 89 Ų | 89 | 26.6 Ų | 26.6 | 42% | 0.416 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -62.4 | -42.7 | 175 | -63.6 | -57.6 | -50.2 | 0 | 0 | 112.3 | E709 W710 V711 L717 Y811 | E709-Q713 WeakPolarHBondContact O-CG 3.46Å; E709-Q713 PolarHBondContact O-N 3.47Å; E709-Q713 VanDerWaalsContact O-N 3.11Å; W710-Q713 WeakPolarHBondContact O-CB 3.36Å; W710-Q713 PolarHBondContact O-N 3.46Å; V711-Q713 VanDerWaalsContact C-N 3.35Å; V711-Q713 PolarHBondContact O-N 2.89Å; Q713-L717 PolarHBondContact O-N 2.82Å; Q713-Y811 VanDerWaalsContact OE1-CE1 3.26Å; Q713-Y811 PolarHBondContact OE1-OH 3Å |
| 714 | I | 95.5 | Very high | 95 | Very high | 53 Ų | 53 | 26.3 Ų | 26.3 | 27% | 0.272 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -64.7 | -42.8 | 176.4 | -65.6 | 168.2 | 0 | 0 | 0 | 110.2 | L541 V660 W710 V711 V712 V716 L717 T718 | L541-I714 HydrophobicContact CD2-CD1 3.89Å; V660-I714 HydrophobicContact CG1-CG2 4.25Å; V660-I714 HydrophobicContact CG2-CG2 4.34Å; W710-I714 WeakPolarHBondContact O-CG1 3.5Å; W710-I714 PolarHBondContact O-N 2.7Å; V711-I714 PolarHBondContact O-N 2.97Å; V712-I714 PolarHBondContact O-N 3.03Å; I714-V716 PolarHBondContact O-N 3Å; I714-L717 PolarHBondContact O-N 3.36Å; I714-T718 HydrophobicContact CG2-CG2 3.85Å; I714-T718 WeakPolarHBondContact O-CB 3.45Å; I714-T718 VanDerWaalsContact O-CG2 3.27Å; I714-T718 WeakPolarHBondContact O-CG2 3.41Å; I714-T718 PolarHBondContact O-N 2.79Å; I714-T718 PolarHBondContact O-OG1 3.31Å |
| 715 | S | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.1 | -47.6 | 178.9 | 172.1 | 0 | 0 | 0 | 0 | 112.7 | E380 T659 V711 V712 L717 T718 N719 | E380-S715 VanDerWaalsContact OE2-CB 3.29Å; E380-S715 WeakPolarHBondContact OE2-CB 3.23Å; E380-S715 PolarHBondContact OE2-OG 3.36Å; T659-S715 WeakPolarHBondContact CB-OG 3.13Å; T659-S715 PolarHBondContact O-OG 3.37Å; V711-S715 VanDerWaalsContact O-CB 3.28Å; V711-S715 WeakPolarHBondContact O-CB 3.19Å; V711-S715 PolarHBondContact O-N 3.23Å; V712-S715 WeakPolarHBondContact O-CB 3.22Å; V712-S715 PolarHBondContact O-N 3.26Å; S715-L717 VanDerWaalsContact C-N 3.34Å; S715-L717 PolarHBondContact O-N 3.35Å; S715-T718 WeakPolarHBondContact CA-OG1 3.45Å; S715-T718 PolarHBondContact O-N 2.9Å; S715-T718 PolarHBondContact O-OG1 3.13Å; S715-T718 VanDerWaalsContact O-OG1 3.13Å; S715-N719 WeakPolarHBondContact O-CB 3.15Å; S715-N719 PolarHBondContact O-N 2.83Å; S715-N719 PolarHBondContact O-ND2 3.43Å; S715-N719 PolarHBondContact OG-ND2 2.85Å |
| 716 | V | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58 | -46.8 | 177.2 | 169.2 | 0 | 0 | 0 | 0 | 111.5 | I377 V712 I714 A720 F810 Y811 T814 | I377-V716 HydrophobicContact CG2-CG2 4.24Å; V712-V716 WeakPolarHBondContact O-CG2 3.46Å; V712-V716 PolarHBondContact O-N 3.47Å; I714-V716 PolarHBondContact O-N 3Å; V716-A720 WeakPolarHBondContact O-CB 2.99Å; V716-A720 PolarHBondContact O-N 2.71Å; V716-F810 HydrophobicContact CG1-CB 3.73Å; V716-Y811 HydrophobicContact CB-CE1 4.48Å; V716-Y811 HydrophobicContact CG1-CD1 4.21Å; V716-Y811 HydrophobicContact CG1-CD2 4.08Å; V716-Y811 HydrophobicContact CG1-CE1 4.01Å; V716-Y811 HydrophobicContact CG1-CE2 3.91Å; V716-Y811 HydrophobicContact CG1-CG 4.23Å; V716-T814 HydrophobicContact CG2-CG2 3.94Å |
| 717 | L | 95.5 | Very high | 94.1 | Very high | 79 Ų | 79 | 25.7 Ų | 25.7 | 41% | 0.414 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -68.8 | -44.9 | -177.6 | -132.1 | 78.8 | 0 | 0 | 0 | 112.1 | Q713 I714 S715 A720 A721 Y811 | Q713-L717 PolarHBondContact O-N 2.82Å; I714-L717 PolarHBondContact O-N 3.36Å; S715-L717 VanDerWaalsContact C-N 3.34Å; S715-L717 PolarHBondContact O-N 3.35Å; L717-A720 PolarHBondContact O-N 3.15Å; L717-A721 WeakPolarHBondContact O-CB 3.32Å; L717-A721 PolarHBondContact O-N 3.19Å; L717-Y811 HydrophobicContact CD1-CE2 3.83Å |
| 718 | T | 94.9 | Very high | 93.6 | Very high | 12 Ų | 12 | 26.5 Ų | 26.5 | 7% | 0.074 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -70.6 | -40.5 | -175.7 | 47.9 | 0 | 0 | 0 | 0 | 112.3 | F549 V660 I714 S715 A721 L722 | F549-T718 HydrophobicContact CE1-CG2 3.77Å; F549-T718 HydrophobicContact CZ-CG2 4.34Å; V660-T718 HydrophobicContact CG1-CG2 3.89Å; V660-T718 VanDerWaalsContact CG1-OG1 3.32Å; V660-T718 WeakPolarHBondContact CG1-OG1 3.2Å; V660-T718 PolarHBondContact O-OG1 3.42Å; V660-T718 VanDerWaalsContact O-OG1 3.05Å; I714-T718 HydrophobicContact CG2-CG2 3.85Å; I714-T718 WeakPolarHBondContact O-CB 3.45Å; I714-T718 VanDerWaalsContact O-CG2 3.27Å; I714-T718 WeakPolarHBondContact O-CG2 3.41Å; I714-T718 PolarHBondContact O-N 2.79Å; I714-T718 PolarHBondContact O-OG1 3.31Å; S715-T718 WeakPolarHBondContact CA-OG1 3.45Å; S715-T718 PolarHBondContact O-N 2.9Å; S715-T718 PolarHBondContact O-OG1 3.13Å; S715-T718 VanDerWaalsContact O-OG1 3.13Å; T718-A721 PolarHBondContact O-N 2.96Å; T718-L722 WeakPolarHBondContact O-CB 3.25Å; T718-L722 PolarHBondContact O-N 3Å |
| 719 | N | 94.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.2 | -41.9 | 173.9 | -79.8 | -70.5 | 0 | 0 | 0 | 112.2 | T659 I662 S715 A721 L722 L723 | T659-N719 PolarHBondContact O-ND2 3.49Å; I662-N719 WeakPolarHBondContact CG2-OD1 3.32Å; S715-N719 WeakPolarHBondContact O-CB 3.15Å; S715-N719 PolarHBondContact O-N 2.83Å; S715-N719 PolarHBondContact O-ND2 3.43Å; S715-N719 PolarHBondContact OG-ND2 2.85Å; N719-A721 VanDerWaalsContact C-N 3.34Å; N719-L722 PolarHBondContact O-N 3.2Å; N719-L723 WeakPolarHBondContact O-CB 3.46Å; N719-L723 VanDerWaalsContact O-CG 3.28Å; N719-L723 WeakPolarHBondContact O-CG 3.5Å; N719-L723 PolarHBondContact O-N 3.3Å |
| 720 | A | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | V716 L717 S724 F803 L806 V807 F810 | V716-A720 WeakPolarHBondContact O-CB 2.99Å; V716-A720 PolarHBondContact O-N 2.71Å; L717-A720 PolarHBondContact O-N 3.15Å; A720-S724 WeakPolarHBondContact O-CB 2.99Å; A720-S724 PolarHBondContact O-N 3.42Å; A720-S724 VanDerWaalsContact O-N 3.17Å; A720-S724 PolarHBondContact O-OG 2.94Å; A720-F803 HydrophobicContact CB-CD2 4.03Å; A720-F803 HydrophobicContact CB-CE2 4.05Å; A720-L806 HydrophobicContact CB-CB 3.98Å; A720-V807 HydrophobicContact CB-CG2 3.61Å; A720-F810 HydrophobicContact CB-CD2 4.06Å; A720-F810 HydrophobicContact CB-CE2 4.08Å |
| 721 | A | 93.9 | Very high | 92.6 | Very high | 15 Ų | 15 | 19.6 Ų | 19.6 | 12% | 0.124 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.5 | -45.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F553 L717 T718 N719 S724 F725 F803 | F553-A721 HydrophobicContact CE1-CB 3.62Å; F553-A721 HydrophobicContact CZ-CB 3.72Å; L717-A721 WeakPolarHBondContact O-CB 3.32Å; L717-A721 PolarHBondContact O-N 3.19Å; T718-A721 PolarHBondContact O-N 2.96Å; N719-A721 VanDerWaalsContact C-N 3.34Å; A721-S724 PolarHBondContact O-N 3.17Å; A721-F725 HydrophobicContact CB-CD2 4.29Å; A721-F725 WeakPolarHBondContact O-CB 3.49Å; A721-F725 WeakPolarHBondContact O-CD2 3.35Å; A721-F725 PolarHBondContact O-N 3.39Å; A721-F803 HydrophobicContact CB-CD2 4.25Å; A721-F803 HydrophobicContact CB-CE2 3.89Å |
| 722 | L | 92.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -62.1 | -45.4 | -179.6 | -177.5 | 73.3 | 0 | 0 | 0 | 111.5 | A552 F553 F661 A663 S664 T718 N719 S724 T726 S727 | A552-L722 HydrophobicContact CB-CD1 4.2Å; F553-L722 HydrophobicContact CE1-CB 4.46Å; F553-L722 HydrophobicContact CZ-CB 4.42Å; F661-L722 HydrophobicContact CD1-CD1 4.27Å; F661-L722 HydrophobicContact CD1-CD2 4.11Å; A663-L722 HydrophobicContact CB-CD2 3.67Å; S664-L722 VanDerWaalsContact OG-CD2 3.31Å; S664-L722 WeakPolarHBondContact OG-CD2 3.39Å; T718-L722 WeakPolarHBondContact O-CB 3.25Å; T718-L722 PolarHBondContact O-N 3Å; N719-L722 PolarHBondContact O-N 3.2Å; L722-S724 VanDerWaalsContact C-N 3.26Å; L722-S724 PolarHBondContact O-N 3.17Å; L722-T726 HydrophobicContact CD1-CG2 4.04Å; L722-T726 WeakPolarHBondContact O-CB 3.1Å; L722-T726 PolarHBondContact O-N 3.44Å; L722-T726 VanDerWaalsContact O-N 3.13Å; L722-S727 PolarHBondContact O-N 3.29Å |
| 723 | L | 92 | Very high | 92 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -64.5 | -29.3 | 176.6 | -72.9 | 171.8 | 0 | 0 | 0 | 113.1 | L370 A663 N719 I729 L806 F810 | L370-L723 HydrophobicContact CD1-CD1 3.91Å; A663-L723 HydrophobicContact CB-CD2 3.98Å; A663-L723 HydrophobicContact CB-CG 4.26Å; N719-L723 WeakPolarHBondContact O-CB 3.46Å; N719-L723 VanDerWaalsContact O-CG 3.28Å; N719-L723 WeakPolarHBondContact O-CG 3.5Å; N719-L723 PolarHBondContact O-N 3.3Å; L723-I729 HydrophobicContact CD2-CD1 3.92Å; L723-L806 HydrophobicContact CB-CD1 3.93Å; L723-L806 HydrophobicContact CD1-CD1 4.27Å; L723-F810 HydrophobicContact CD1-CE2 4.48Å; L723-F810 HydrophobicContact CD1-CZ 4.2Å |
| 724 | S | 92 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -92.3 | -40 | -174.7 | -54.5 | 0 | 0 | 0 | 0 | 113.3 | A720 A721 L722 R799 F803 | A720-S724 WeakPolarHBondContact O-CB 2.99Å; A720-S724 PolarHBondContact O-N 3.42Å; A720-S724 VanDerWaalsContact O-N 3.17Å; A720-S724 PolarHBondContact O-OG 2.94Å; A721-S724 PolarHBondContact O-N 3.17Å; L722-S724 VanDerWaalsContact C-N 3.26Å; L722-S724 PolarHBondContact O-N 3.17Å; S724-R799 WeakPolarHBondContact O-CD 3.49Å; S724-R799 WeakPolarHBondContact O-CG 3.39Å; S724-F803 WeakPolarHBondContact OG-CA 3.03Å; S724-F803 PolarHBondContact OG-N 3.43Å; S724-F803 VanDerWaalsContact OG-N 3.15Å |
| 725 | F | 89.8 | Confident | 91.8 | Very high | 63 Ų | 63 | 22.4 Ų | 22.4 | 28% | 0.276 | 11% | 0.112 | S | C | . | . | I | π-helix | trans | -102.9 | -37.4 | -171.9 | -65.2 | -67.1 | 0 | 0 | 0 | 113.5 | A721 R799 I800 F803 | A721-F725 HydrophobicContact CB-CD2 4.29Å; A721-F725 WeakPolarHBondContact O-CB 3.49Å; A721-F725 WeakPolarHBondContact O-CD2 3.35Å; A721-F725 PolarHBondContact O-N 3.39Å; F725-R799 HydrophobicContact CD1-CB 4.16Å; F725-R799 HydrophobicContact CE1-CB 4.08Å; F725-R799 PolarHBondContact O-NH1 3.44Å; F725-I800 HydrophobicContact CE1-CG1 4.34Å; F725-I800 HydrophobicContact CZ-CG1 4.33Å; F725-F803 HydrophobicContact CE2-CB 4.12Å; F725-F803 HydrophobicContact CE2-CD2 4.13Å; F725-F803 AromaticContact CE2-CG 4Å; F725-F803 HydrophobicContact CE2-CG 4Å; F725-F803 HydrophobicContact CZ-CB 4.33Å; F725-F803 HydrophobicContact CZ-CG 4.49Å |
| 726 | T | 88.4 | Confident | 91.6 | Very high | 6 Ų | 6 | 26 Ų | 26 | 4% | 0.037 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -98.8 | -38.2 | -173.8 | -41.8 | 0 | 0 | 0 | 0 | 112.3 | A552 C577 T578 L722 | A552-T726 WeakPolarHBondContact O-CG2 3.22Å; A552-T726 PolarHBondContact O-OG1 3.2Å; C577-T726 HydrophobicContact CB-CG2 4.31Å; T578-T726 HydrophobicContact CG2-CG2 3.94Å; L722-T726 HydrophobicContact CD1-CG2 4.04Å; L722-T726 WeakPolarHBondContact O-CB 3.1Å; L722-T726 PolarHBondContact O-N 3.44Å; L722-T726 VanDerWaalsContact O-N 3.13Å |
| 727 | S | 88.1 | Confident | 91.4 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -76.5 | 142.1 | 178.8 | 179.3 | 0 | 0 | 0 | 0 | 111.9 | N365 L722 I729 | N365-S727 VanDerWaalsContact CG-OG 3.31Å; N365-S727 PolarHBondContact ND2-OG 3.48Å; N365-S727 PolarHBondContact OD1-OG 3.3Å; L722-S727 PolarHBondContact O-N 3.29Å; S727-I729 PolarHBondContact O-N 2.96Å; S727-I729 WeakPolarHBondContact OG-CD1 3.5Å; S727-I729 VanDerWaalsContact OG-CG1 3.27Å; S727-I729 WeakPolarHBondContact OG-CG1 3.45Å; S727-I729 PolarHBondContact OG-N 3.28Å |
| 728 | D | 86.5 | Confident | 91.3 | Very high | 16 Ų | 16 | 30.4 Ų | 30.4 | 9% | 0.086 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -79.9 | 4.4 | 174.8 | -69.5 | -35.6 | 0 | 0 | 0 | 113.2 | I730 P731 K732 F748 K777 | D728-I730 PolarHBondContact O-N 3.44Å; D728-P731 WeakPolarHBondContact O-CD 3.29Å; D728-K732 HydrophobicContact CB-CG 4.45Å; D728-K732 VanDerWaalsContact O-CB 3.22Å; D728-K732 WeakPolarHBondContact O-CB 3.39Å; D728-K732 WeakPolarHBondContact O-CG 3.18Å; D728-K732 PolarHBondContact O-N 3.21Å; D728-F748 HydrophobicContact CB-CE1 4.31Å; D728-F748 HydrophobicContact CB-CZ 4.29Å; D728-K777 IonicContact OD1-NZ 3.42Å; D728-K777 PolarHBondContact OD1-NZ 3.37Å; D728-K777 IonicContact OD2-NZ 2.76Å; D728-K777 PolarHBondContact OD2-NZ 2.93Å |
| 729 | I | 88.3 | Confident | 91 | Very high | 39 Ų | 39 | 33.5 Ų | 33.5 | 20% | 0.2 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.7 | -51.7 | 179.2 | -70.2 | 165.9 | 0 | 0 | 0 | 111.7 | L723 S727 K732 L733 | L723-I729 HydrophobicContact CD2-CD1 3.92Å; S727-I729 PolarHBondContact O-N 2.96Å; S727-I729 WeakPolarHBondContact OG-CD1 3.5Å; S727-I729 VanDerWaalsContact OG-CG1 3.27Å; S727-I729 WeakPolarHBondContact OG-CG1 3.45Å; S727-I729 PolarHBondContact OG-N 3.28Å; I729-K732 PolarHBondContact O-N 3.32Å; I729-L733 WeakPolarHBondContact O-CB 3.41Å; I729-L733 PolarHBondContact O-N 2.97Å |
| 730 | I | 90 | Very high | 90.8 | Very high | 27 Ų | 27 | 34 Ų | 34 | 14% | 0.138 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.7 | -47.9 | -179.5 | -62.3 | -58.3 | 0 | 0 | 0 | 111.5 | D728 K732 L733 Y734 V798 R799 | D728-I730 PolarHBondContact O-N 3.44Å; I730-K732 PolarHBondContact O-N 3.31Å; I730-L733 PolarHBondContact O-N 3.32Å; I730-Y734 PolarHBondContact O-N 3.34Å; I730-V798 HydrophobicContact CG2-CG1 3.65Å; I730-R799 HydrophobicContact CG2-CG 4.48Å |
| 731 | P | 89.6 | Confident | 90.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.3 | -42.8 | 172 | -28.6 | 34.5 | 0 | 0 | 0 | 114.9 | D728 Y734 Y735 F748 M795 | D728-P731 WeakPolarHBondContact O-CD 3.29Å; P731-Y734 PolarHBondContact O-N 2.88Å; P731-Y735 WeakPolarHBondContact O-CB 3.35Å; P731-Y735 PolarHBondContact O-N 3.15Å; P731-F748 HydrophobicContact CB-CE2 3.96Å; P731-F748 HydrophobicContact CB-CZ 3.88Å; P731-M795 HydrophobicContact CB-CE 4.24Å; P731-M795 HydrophobicContact CB-SD 3.74Å; P731-M795 HydrophobicContact CG-SD 3.83Å |
| 732 | K | 89.4 | Confident | 90.2 | Very high | 34 Ų | 34 | 49.9 Ų | 49.9 | 15% | 0.148 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.6 | -44.5 | 177.5 | -78.4 | -178.7 | -178.2 | -164.2 | 0 | 111.2 | D318 D728 I729 I730 Y734 Y735 K736 F745 F748 | D318-K732 IonicContact OD1-NZ 3.83Å; D728-K732 HydrophobicContact CB-CG 4.45Å; D728-K732 VanDerWaalsContact O-CB 3.22Å; D728-K732 WeakPolarHBondContact O-CB 3.39Å; D728-K732 WeakPolarHBondContact O-CG 3.18Å; D728-K732 PolarHBondContact O-N 3.21Å; I729-K732 PolarHBondContact O-N 3.32Å; I730-K732 PolarHBondContact O-N 3.31Å; K732-Y734 VanDerWaalsContact C-N 3.34Å; K732-Y734 PolarHBondContact O-N 2.83Å; K732-Y735 PolarHBondContact O-N 3.16Å; K732-K736 WeakPolarHBondContact O-CB 3.37Å; K732-K736 PolarHBondContact O-N 2.95Å; K732-F745 HydrophobicContact CB-CD1 3.96Å; K732-F745 HydrophobicContact CB-CE1 3.76Å; K732-F745 HydrophobicContact CB-CZ 4.47Å; K732-F745 HydrophobicContact CG-CD1 4.39Å; K732-F745 WeakPolarHBondContact O-CE1 3.17Å; K732-F748 HydrophobicContact CB-CE2 4.44Å; K732-F748 HydrophobicContact CD-CE1 4.46Å; K732-F748 HydrophobicContact CG-CD1 3.89Å; K732-F748 HydrophobicContact CG-CD2 4.17Å; K732-F748 HydrophobicContact CG-CE1 3.62Å; K732-F748 HydrophobicContact CG-CE2 3.92Å; K732-F748 HydrophobicContact CG-CG 4.15Å; K732-F748 HydrophobicContact CG-CZ 3.64Å |
| 733 | L | 90.2 | Very high | 90 | Very high | 109 Ų | 109 | 55.3 Ų | 55.3 | 57% | 0.571 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -62.2 | -42.4 | 177.5 | -174.3 | 66 | 0 | 0 | 0 | 111.7 | I729 I730 K736 S737 | I729-L733 WeakPolarHBondContact O-CB 3.41Å; I729-L733 PolarHBondContact O-N 2.97Å; I730-L733 PolarHBondContact O-N 3.32Å; L733-K736 PolarHBondContact O-N 3.12Å; L733-S737 VanDerWaalsContact O-CB 3.3Å; L733-S737 WeakPolarHBondContact O-CB 3.39Å; L733-S737 PolarHBondContact O-N 3.47Å |
| 734 | Y | 92.6 | Very high | 89.9 | Confident | 32 Ų | 32 | 56.7 Ų | 56.7 | 13% | 0.125 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 175.5 | 175.9 | -103.9 | 0 | 0 | 0 | 112.1 | I730 P731 K732 K736 S737 V738 Y739 F751 E794 M795 V798 | I730-Y734 PolarHBondContact O-N 3.34Å; P731-Y734 PolarHBondContact O-N 2.88Å; K732-Y734 VanDerWaalsContact C-N 3.34Å; K732-Y734 PolarHBondContact O-N 2.83Å; Y734-K736 PolarHBondContact O-N 3.19Å; Y734-S737 PolarHBondContact O-N 3.22Å; Y734-V738 HydrophobicContact CD2-CG2 3.89Å; Y734-V738 HydrophobicContact CE2-CB 4.26Å; Y734-V738 HydrophobicContact CE2-CG2 3.67Å; Y734-V738 WeakPolarHBondContact O-CB 2.9Å; Y734-V738 PolarHBondContact O-N 3.26Å; Y734-Y739 HydrophobicContact CD1-CE2 4.45Å; Y734-Y739 HydrophobicContact CE1-CD2 4.04Å; Y734-Y739 AromaticContact CE1-CE2 3.54Å; Y734-Y739 HydrophobicContact CE1-CE2 3.54Å; Y734-Y739 AromaticContact CZ-CE2 3.84Å; Y734-F751 HydrophobicContact CE1-CZ 4.44Å; Y734-E794 PolarHBondContact OH-OE2 3.46Å; Y734-E794 VanDerWaalsContact OH-OE2 3.05Å; Y734-M795 HydrophobicContact CD1-CE 3.47Å; Y734-M795 VanDerWaalsContact CD1-CE 3.47Å; Y734-M795 HydrophobicContact CD1-SD 4.4Å; Y734-M795 HydrophobicContact CE1-CE 3.94Å; Y734-M795 HydrophobicContact CG-CE 4.37Å; Y734-V798 HydrophobicContact CD2-CG1 4.37Å; Y734-V798 HydrophobicContact CD2-CG2 3.73Å; Y734-V798 HydrophobicContact CE2-CG2 3.95Å; Y734-V798 HydrophobicContact CG-CG2 4.43Å |
| 735 | Y | 92.8 | Very high | 89.8 | Confident | 29 Ų | 29 | 57.8 Ų | 57.8 | 11% | 0.114 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.2 | -47.9 | 176.5 | 178 | -98.4 | 0 | 0 | 0 | 112 | P731 K732 S737 Y739 S740 L746 F748 F751 | P731-Y735 WeakPolarHBondContact O-CB 3.35Å; P731-Y735 PolarHBondContact O-N 3.15Å; K732-Y735 PolarHBondContact O-N 3.16Å; Y735-S737 VanDerWaalsContact C-N 3.28Å; Y735-S737 PolarHBondContact O-N 3.13Å; Y735-Y739 HydrophobicContact CD2-CG 4.4Å; Y735-Y739 WeakPolarHBondContact O-CA 3.38Å; Y735-Y739 PolarHBondContact O-N 3.33Å; Y735-S740 PolarHBondContact O-N 3.23Å; Y735-L746 WeakPolarHBondContact CE1-O 3.47Å; Y735-L746 PolarHBondContact OH-O 2.88Å; Y735-F748 HydrophobicContact CD1-CB 3.96Å; Y735-F748 HydrophobicContact CD1-CD2 4.11Å; Y735-F748 HydrophobicContact CD2-CD2 4.38Å; Y735-F748 HydrophobicContact CE1-CB 4.09Å; Y735-F748 HydrophobicContact CG-CB 4.4Å; Y735-F748 AromaticContact CG-CD2 3.8Å; Y735-F748 HydrophobicContact CG-CD2 3.8Å; Y735-F751 HydrophobicContact CD2-CB 3.86Å; Y735-F751 AromaticContact CD2-CD1 3.63Å; Y735-F751 HydrophobicContact CD2-CD1 3.63Å; Y735-F751 AromaticContact CD2-CD2 3.84Å; Y735-F751 HydrophobicContact CD2-CD2 3.84Å; Y735-F751 HydrophobicContact CD2-CE1 4.1Å; Y735-F751 HydrophobicContact CD2-CE2 4.28Å; Y735-F751 AromaticContact CD2-CG 3.49Å; Y735-F751 HydrophobicContact CD2-CG 3.49Å; Y735-F751 VanDerWaalsContact CD2-CG 3.49Å; Y735-F751 HydrophobicContact CD2-CZ 4.4Å; Y735-F751 HydrophobicContact CE2-CB 3.6Å; Y735-F751 HydrophobicContact CE2-CD1 4.27Å; Y735-F751 AromaticContact CE2-CD2 3.92Å; Y735-F751 HydrophobicContact CE2-CD2 3.92Å; Y735-F751 AromaticContact CE2-CG 3.68Å; Y735-F751 HydrophobicContact CE2-CG 3.68Å; Y735-F751 HydrophobicContact CG-CD1 4.43Å |
| 736 | K | 92.7 | Very high | 89.7 | Confident | 76 Ų | 76 | 58.4 Ų | 58.4 | 33% | 0.33 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.6 | -35.6 | 178.1 | 173.6 | 168.1 | 173.3 | 159.2 | 0 | 113.3 | K732 L733 Y734 H743 F745 | K732-K736 WeakPolarHBondContact O-CB 3.37Å; K732-K736 PolarHBondContact O-N 2.95Å; L733-K736 PolarHBondContact O-N 3.12Å; Y734-K736 PolarHBondContact O-N 3.19Å; K736-H743 WeakPolarHBondContact CD-O 3.36Å; K736-H743 WeakPolarHBondContact CE-O 3.29Å; K736-H743 HydrophobicContact CG-CB 4.28Å; K736-H743 WeakPolarHBondContact CG-O 3.23Å; K736-H743 PolarHBondContact NZ-O 3.14Å; K736-H743 PolarHBondContact O-ND1 3.32Å; K736-F745 HydrophobicContact CB-CD1 4.1Å; K736-F745 HydrophobicContact CB-CE1 3.73Å; K736-F745 HydrophobicContact CD-CD1 4.43Å; K736-F745 HydrophobicContact CD-CE1 3.69Å; K736-F745 HydrophobicContact CD-CZ 3.85Å; K736-F745 HydrophobicContact CG-CE1 4.33Å |
| 737 | S | 91.4 | Very high | 89.7 | Confident | 86 Ų | 86 | 59.1 Ų | 59.1 | 60% | 0.601 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -80.4 | -40.6 | -177.4 | -174.3 | 0 | 0 | 0 | 0 | 112.9 | L733 Y734 Y735 | L733-S737 VanDerWaalsContact O-CB 3.3Å; L733-S737 WeakPolarHBondContact O-CB 3.39Å; L733-S737 PolarHBondContact O-N 3.47Å; Y734-S737 PolarHBondContact O-N 3.22Å; Y735-S737 VanDerWaalsContact C-N 3.28Å; Y735-S737 PolarHBondContact O-N 3.13Å |
| 738 | V | 92.3 | Very high | 89.8 | Confident | 85 Ų | 85 | 59.2 Ų | 59.2 | 52% | 0.515 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -105.8 | -35 | -168.6 | -178.8 | 0 | 0 | 0 | 0 | 113.3 | Y734 | Y734-V738 HydrophobicContact CD2-CG2 3.89Å; Y734-V738 HydrophobicContact CE2-CB 4.26Å; Y734-V738 HydrophobicContact CE2-CG2 3.67Å; Y734-V738 WeakPolarHBondContact O-CB 2.9Å; Y734-V738 PolarHBondContact O-N 3.26Å |
| 739 | Y | 89.7 | Confident | 89.9 | Confident | 78 Ų | 78 | 58.6 Ų | 58.6 | 31% | 0.306 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -36.9 | -168.2 | -75 | -86.8 | 0 | 0 | 0 | 114.1 | Y734 Y735 K741 F751 | Y734-Y739 HydrophobicContact CD1-CE2 4.45Å; Y734-Y739 HydrophobicContact CE1-CD2 4.04Å; Y734-Y739 AromaticContact CE1-CE2 3.54Å; Y734-Y739 HydrophobicContact CE1-CE2 3.54Å; Y734-Y739 AromaticContact CZ-CE2 3.84Å; Y735-Y739 HydrophobicContact CD2-CG 4.4Å; Y735-Y739 WeakPolarHBondContact O-CA 3.38Å; Y735-Y739 PolarHBondContact O-N 3.33Å; Y739-K741 PolarHBondContact O-N 3.32Å; Y739-F751 HydrophobicContact CD1-CE2 4Å; Y739-F751 AromaticContact CD2-CE2 3.88Å; Y739-F751 HydrophobicContact CD2-CE2 3.88Å; Y739-F751 AromaticContact CD2-CZ 3.98Å; Y739-F751 HydrophobicContact CD2-CZ 3.98Å; Y739-F751 AromaticContact CE1-CE2 3.98Å; Y739-F751 HydrophobicContact CE1-CE2 3.98Å; Y739-F751 AromaticContact CE2-CE2 3.88Å; Y739-F751 HydrophobicContact CE2-CE2 3.88Å; Y739-F751 AromaticContact CE2-CZ 3.9Å; Y739-F751 HydrophobicContact CE2-CZ 3.9Å; Y739-F751 AromaticContact CG-CE2 3.95Å; Y739-F751 HydrophobicContact CG-CE2 3.95Å; Y739-F751 HydrophobicContact CG-CZ 4.48Å; Y739-F751 AromaticContact CZ-CE2 3.92Å |
| 740 | S | 89.9 | Confident | 89.9 | Confident | 10 Ų | 10 | 60.4 Ų | 60.4 | 7% | 0.07 | 30% | 0.301 | C | S | . | . | trans | -74.5 | 115.7 | -179.2 | -177.7 | 0 | 0 | 0 | 0 | 110.8 | Y735 E742 H743 N744 | Y735-S740 PolarHBondContact O-N 3.23Å; S740-E742 VanDerWaalsContact C-N 3.27Å; S740-E742 PolarHBondContact O-N 3.16Å; S740-H743 PolarHBondContact O-N 3.06Å; S740-H743 PolarHBondContact OG-N 3.46Å; S740-H743 VanDerWaalsContact OG-N 3.16Å; S740-N744 VanDerWaalsContact CB-O 3.28Å; S740-N744 WeakPolarHBondContact CB-O 3.48Å; S740-N744 PolarHBondContact OG-N 3.03Å; S740-N744 VanDerWaalsContact OG-N 3.17Å; S740-N744 PolarHBondContact OG-O 3.46Å; S740-N744 PolarHBondContact OG-OD1 2.8Å; S740-N744 VanDerWaalsContact OG-OD1 3.06Å | ||
| 741 | K | 88.4 | Confident | 89.9 | Confident | 206 Ų | 206 | 60.2 Ų | 60.2 | 90% | 0.896 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -31.1 | 175.5 | -67.2 | -177.4 | 179.6 | 178.8 | 0 | 112.5 | Y739 | Y739-K741 PolarHBondContact O-N 3.32Š|
| 742 | E | 87.6 | Confident | 89.9 | Confident | 143 Ų | 143 | 60.5 Ų | 60.5 | 67% | 0.668 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 1.1 | -176.2 | -64.5 | -179.5 | 174.5 | 0 | 0 | 112.5 | S740 N744 | S740-E742 VanDerWaalsContact C-N 3.27Å; S740-E742 PolarHBondContact O-N 3.16Å; E742-N744 WeakPolarHBondContact CB-ND2 3.34Å; E742-N744 PolarHBondContact O-N 3.29Å; E742-N744 PolarHBondContact OE2-ND2 3.5Å |
| 743 | H | 88.4 | Confident | 89.9 | Confident | 116 Ų | 116 | 59.2 Ų | 59.2 | 54% | 0.537 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 54.6 | 30.3 | -175.1 | -58.5 | -60.4 | 0 | 0 | 0 | 114.3 | K736 S740 | K736-H743 WeakPolarHBondContact CD-O 3.36Å; K736-H743 WeakPolarHBondContact CE-O 3.29Å; K736-H743 HydrophobicContact CG-CB 4.28Å; K736-H743 WeakPolarHBondContact CG-O 3.23Å; K736-H743 PolarHBondContact NZ-O 3.14Å; K736-H743 PolarHBondContact O-ND1 3.32Å; S740-H743 PolarHBondContact O-N 3.06Å; S740-H743 PolarHBondContact OG-N 3.46Å; S740-H743 VanDerWaalsContact OG-N 3.16Å |
| 744 | N | 90 | Very high | 89.8 | Confident | 33 Ų | 33 | 54.1 Ų | 54.1 | 18% | 0.176 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -107.9 | 174 | 170.8 | 57.9 | 16.6 | 0 | 0 | 0 | 110.9 | S740 E742 L746 | S740-N744 VanDerWaalsContact CB-O 3.28Å; S740-N744 WeakPolarHBondContact CB-O 3.48Å; S740-N744 PolarHBondContact OG-N 3.03Å; S740-N744 VanDerWaalsContact OG-N 3.17Å; S740-N744 PolarHBondContact OG-O 3.46Å; S740-N744 PolarHBondContact OG-OD1 2.8Å; S740-N744 VanDerWaalsContact OG-OD1 3.06Å; E742-N744 WeakPolarHBondContact CB-ND2 3.34Å; E742-N744 PolarHBondContact O-N 3.29Å; E742-N744 PolarHBondContact OE2-ND2 3.5Å; N744-L746 WeakPolarHBondContact ND2-CD1 3.38Å |
| 745 | F | 88.9 | Confident | 89.7 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 10% | 0.101 | 27% | 0.273 | C | S | . | . | trans | -98.2 | 8.1 | 179.6 | -51.9 | -65.6 | 0 | 0 | 0 | 113.5 | D319 V320 K732 K736 G747 F748 | D319-F745 HydrophobicContact CB-CB 4Å; D319-F745 PolarHBondContact OD2-N 3.27Å; V320-F745 HydrophobicContact CG2-CB 3.73Å; K732-F745 HydrophobicContact CB-CD1 3.96Å; K732-F745 HydrophobicContact CB-CE1 3.76Å; K732-F745 HydrophobicContact CB-CZ 4.47Å; K732-F745 HydrophobicContact CG-CD1 4.39Å; K732-F745 WeakPolarHBondContact O-CE1 3.17Å; K736-F745 HydrophobicContact CB-CD1 4.1Å; K736-F745 HydrophobicContact CB-CE1 3.73Å; K736-F745 HydrophobicContact CD-CD1 4.43Å; K736-F745 HydrophobicContact CD-CE1 3.69Å; K736-F745 HydrophobicContact CD-CZ 3.85Å; K736-F745 HydrophobicContact CG-CE1 4.33Å; F745-G747 PolarHBondContact O-N 3.19Å; F745-F748 WeakPolarHBondContact O-CB 3.39Å; F745-F748 PolarHBondContact O-N 3.48Å; F745-F748 VanDerWaalsContact O-N 3.11Å | ||
| 746 | L | 88.6 | Confident | 89.4 | Confident | 76 Ų | 76 | 53.8 Ų | 53.8 | 40% | 0.398 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 133.2 | 173.5 | -68.6 | 174.1 | 0 | 0 | 0 | 110.3 | D319 Y735 N744 F748 | D319-L746 HydrophobicContact CB-CD2 4.02Å; D319-L746 HydrophobicContact CB-CG 4.17Å; Y735-L746 WeakPolarHBondContact CE1-O 3.47Å; Y735-L746 PolarHBondContact OH-O 2.88Å; N744-L746 WeakPolarHBondContact ND2-CD1 3.38Å; L746-F748 VanDerWaalsContact C-N 3.26Å; L746-F748 PolarHBondContact O-N 3.46Å |
| 747 | G | 88.3 | Confident | 89.1 | Confident | 21 Ų | 21 | 52.4 Ų | 52.4 | 22% | 0.216 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | -1.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D323 F745 A749 E750 F751 | D323-G747 WeakPolarHBondContact OD2-CA 3.43Å; D323-G747 PolarHBondContact OD2-N 3.08Å; F745-G747 PolarHBondContact O-N 3.19Å; G747-A749 VanDerWaalsContact C-N 3.3Å; G747-A749 PolarHBondContact O-N 2.92Å; G747-E750 PolarHBondContact O-N 3.25Å; G747-F751 WeakPolarHBondContact O-CB 3.05Å; G747-F751 PolarHBondContact O-N 3.48Å |
| 748 | F | 90.9 | Very high | 88.6 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.2 | -39.5 | 175.1 | 173.4 | -101.7 | 0 | 0 | 0 | 112.1 | V320 D728 P731 K732 Y735 F745 L746 E750 F751 S752 | V320-F748 HydrophobicContact CG1-CD1 4.17Å; V320-F748 HydrophobicContact CG2-CB 4.12Å; V320-F748 HydrophobicContact CG2-CD1 3.94Å; V320-F748 HydrophobicContact CG2-CG 4.4Å; D728-F748 HydrophobicContact CB-CE1 4.31Å; D728-F748 HydrophobicContact CB-CZ 4.29Å; P731-F748 HydrophobicContact CB-CE2 3.96Å; P731-F748 HydrophobicContact CB-CZ 3.88Å; K732-F748 HydrophobicContact CB-CE2 4.44Å; K732-F748 HydrophobicContact CD-CE1 4.46Å; K732-F748 HydrophobicContact CG-CD1 3.89Å; K732-F748 HydrophobicContact CG-CD2 4.17Å; K732-F748 HydrophobicContact CG-CE1 3.62Å; K732-F748 HydrophobicContact CG-CE2 3.92Å; K732-F748 HydrophobicContact CG-CG 4.15Å; K732-F748 HydrophobicContact CG-CZ 3.64Å; Y735-F748 HydrophobicContact CD1-CB 3.96Å; Y735-F748 HydrophobicContact CD1-CD2 4.11Å; Y735-F748 HydrophobicContact CD2-CD2 4.38Å; Y735-F748 HydrophobicContact CE1-CB 4.09Å; Y735-F748 HydrophobicContact CG-CB 4.4Å; Y735-F748 AromaticContact CG-CD2 3.8Å; Y735-F748 HydrophobicContact CG-CD2 3.8Å; F745-F748 WeakPolarHBondContact O-CB 3.39Å; F745-F748 PolarHBondContact O-N 3.48Å; F745-F748 VanDerWaalsContact O-N 3.11Å; L746-F748 VanDerWaalsContact C-N 3.26Å; L746-F748 PolarHBondContact O-N 3.46Å; F748-E750 PolarHBondContact O-N 3.2Å; F748-F751 HydrophobicContact CD2-CD1 4.41Å; F748-F751 WeakPolarHBondContact O-CB 3.47Å; F748-F751 PolarHBondContact O-N 3.35Å; F748-S752 PolarHBondContact O-N 3.32Å |
| 749 | A | 88.3 | Confident | 87.9 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 3% | 0.033 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.3 | -52.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V320 V324 P331 F350 G747 F751 S752 L753 | V320-A749 HydrophobicContact CG1-CB 4.32Å; V324-A749 HydrophobicContact CG2-CB 3.75Å; P331-A749 HydrophobicContact CB-CB 3.9Å; P331-A749 HydrophobicContact CG-CB 4.22Å; F350-A749 HydrophobicContact CE1-CB 4.35Å; G747-A749 VanDerWaalsContact C-N 3.3Å; G747-A749 PolarHBondContact O-N 2.92Å; A749-F751 VanDerWaalsContact C-N 3.35Å; A749-F751 PolarHBondContact O-N 2.78Å; A749-S752 PolarHBondContact O-N 2.75Å; A749-S752 PolarHBondContact O-OG 3.4Å; A749-L753 WeakPolarHBondContact O-CG 3.42Å |
| 750 | E | 88.6 | Confident | 87.1 | Confident | 77 Ų | 77 | 53.1 Ų | 53.1 | 36% | 0.36 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61 | -41.1 | 176.2 | -171.5 | -178.2 | 164.7 | 0 | 0 | 112.2 | S330 G747 F748 S752 L753 | S330-E750 WeakPolarHBondContact CB-OE2 3.15Å; S330-E750 VanDerWaalsContact OG-CD 3.27Å; S330-E750 PolarHBondContact OG-OE2 3.39Å; G747-E750 PolarHBondContact O-N 3.25Å; F748-E750 PolarHBondContact O-N 3.2Å; E750-S752 PolarHBondContact O-N 2.91Å; E750-L753 PolarHBondContact O-N 2.89Å; E750-L753 VanDerWaalsContact O-N 3.12Å |
| 751 | F | 89.6 | Confident | 86.3 | Confident | 22 Ų | 22 | 53 Ų | 53 | 10% | 0.096 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.6 | -33.4 | 177.1 | 172.1 | -95.5 | 0 | 0 | 0 | 113.3 | Y734 Y735 Y739 G747 F748 A749 L753 Y779 M795 | Y734-F751 HydrophobicContact CE1-CZ 4.44Å; Y735-F751 HydrophobicContact CD2-CB 3.86Å; Y735-F751 AromaticContact CD2-CD1 3.63Å; Y735-F751 HydrophobicContact CD2-CD1 3.63Å; Y735-F751 AromaticContact CD2-CD2 3.84Å; Y735-F751 HydrophobicContact CD2-CD2 3.84Å; Y735-F751 HydrophobicContact CD2-CE1 4.1Å; Y735-F751 HydrophobicContact CD2-CE2 4.28Å; Y735-F751 AromaticContact CD2-CG 3.49Å; Y735-F751 HydrophobicContact CD2-CG 3.49Å; Y735-F751 VanDerWaalsContact CD2-CG 3.49Å; Y735-F751 HydrophobicContact CD2-CZ 4.4Å; Y735-F751 HydrophobicContact CE2-CB 3.6Å; Y735-F751 HydrophobicContact CE2-CD1 4.27Å; Y735-F751 AromaticContact CE2-CD2 3.92Å; Y735-F751 HydrophobicContact CE2-CD2 3.92Å; Y735-F751 AromaticContact CE2-CG 3.68Å; Y735-F751 HydrophobicContact CE2-CG 3.68Å; Y735-F751 HydrophobicContact CG-CD1 4.43Å; Y739-F751 HydrophobicContact CD1-CE2 4Å; Y739-F751 AromaticContact CD2-CE2 3.88Å; Y739-F751 HydrophobicContact CD2-CE2 3.88Å; Y739-F751 AromaticContact CD2-CZ 3.98Å; Y739-F751 HydrophobicContact CD2-CZ 3.98Å; Y739-F751 AromaticContact CE1-CE2 3.98Å; Y739-F751 HydrophobicContact CE1-CE2 3.98Å; Y739-F751 AromaticContact CE2-CE2 3.88Å; Y739-F751 HydrophobicContact CE2-CE2 3.88Å; Y739-F751 AromaticContact CE2-CZ 3.9Å; Y739-F751 HydrophobicContact CE2-CZ 3.9Å; Y739-F751 AromaticContact CG-CE2 3.95Å; Y739-F751 HydrophobicContact CG-CE2 3.95Å; Y739-F751 HydrophobicContact CG-CZ 4.48Å; Y739-F751 AromaticContact CZ-CE2 3.92Å; G747-F751 WeakPolarHBondContact O-CB 3.05Å; G747-F751 PolarHBondContact O-N 3.48Å; F748-F751 HydrophobicContact CD2-CD1 4.41Å; F748-F751 WeakPolarHBondContact O-CB 3.47Å; F748-F751 PolarHBondContact O-N 3.35Å; A749-F751 VanDerWaalsContact C-N 3.35Å; A749-F751 PolarHBondContact O-N 2.78Å; F751-L753 VanDerWaalsContact C-N 3.32Å; F751-Y779 HydrophobicContact CD1-CE1 4.2Å; F751-Y779 AromaticContact CE1-CE1 3.79Å; F751-Y779 HydrophobicContact CE1-CE1 3.79Å; F751-Y779 HydrophobicContact CZ-CE1 4.24Å; F751-M795 HydrophobicContact CE1-CE 3.96Å; F751-M795 HydrophobicContact CZ-CE 4.42Å |
| 752 | S | 89.2 | Confident | 85.5 | Confident | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -8 | -179.3 | 75.4 | 0 | 0 | 0 | 0 | 114.4 | F748 A749 E750 G778 | F748-S752 PolarHBondContact O-N 3.32Å; A749-S752 PolarHBondContact O-N 2.75Å; A749-S752 PolarHBondContact O-OG 3.4Å; E750-S752 PolarHBondContact O-N 2.91Å; S752-G778 PolarHBondContact O-N 3.01Å |
| 753 | L | 89 | Confident | 84.8 | Confident | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 152.3 | -176.3 | -62.3 | 170.3 | 0 | 0 | 0 | 112.1 | L334 M336 F350 A749 E750 F751 W775 Y776 K777 G778 | L334-L753 HydrophobicContact CD1-CD1 3.62Å; M336-L753 HydrophobicContact CE-CD2 3.89Å; M336-L753 HydrophobicContact SD-CD1 4.37Å; M336-L753 HydrophobicContact SD-CD2 4.48Å; F350-L753 HydrophobicContact CD1-CD1 4.47Å; F350-L753 HydrophobicContact CE1-CD1 4.37Å; A749-L753 WeakPolarHBondContact O-CG 3.42Å; E750-L753 PolarHBondContact O-N 2.89Å; E750-L753 VanDerWaalsContact O-N 3.12Å; F751-L753 VanDerWaalsContact C-N 3.32Å; L753-W775 HydrophobicContact CB-CE3 3.79Å; L753-W775 HydrophobicContact CB-CZ3 4.43Å; L753-Y776 CarbonylContact C-O 3.55Å; L753-Y776 WeakPolarHBondContact CA-O 3.29Å; L753-K777 HydrophobicContact CD2-CB 4.45Å; L753-G778 CarbonylContact C-O 3.42Å |
| 754 | S | 89.3 | Confident | 84 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 143.2 | 170.1 | -77.7 | 0 | 0 | 0 | 0 | 110.6 | W775 Y776 G778 R780 | S754-W775 WeakPolarHBondContact O-CA 3.41Å; S754-Y776 PolarHBondContact N-O 2.94Å; S754-Y776 WeakPolarHBondContact O-CD1 3.17Å; S754-Y776 WeakPolarHBondContact O-CE1 3.29Å; S754-Y776 PolarHBondContact O-N 3.44Å; S754-G778 WeakPolarHBondContact CB-O 3.18Å; S754-G778 PolarHBondContact N-O 3.13Å; S754-G778 PolarHBondContact OG-O 2.92Å; S754-R780 PolarHBondContact OG-N 3.21Å; S754-R780 PolarHBondContact OG-O 3.25Å |
| 755 | R | 89.6 | Confident | 83.2 | Confident | 54 Ų | 54 | 45 Ų | 45 | 20% | 0.204 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 139.3 | 179.8 | -175.1 | 176.6 | 68.7 | 162.6 | -5.8 | 111.2 | E773 W775 S782 | R755-E773 VanDerWaalsContact CD-OE2 3.31Å; R755-E773 WeakPolarHBondContact CD-OE2 3.45Å; R755-E773 HydrophobicContact CG-CB 4.26Å; R755-E773 IonicContact CZ-OE2 3.75Å; R755-E773 IonicContact NE-OE2 2.75Å; R755-E773 IonicContact NH1-OE2 3.93Å; R755-E773 PolarHBondContact NH1-OE2 3.06Å; R755-W775 HydrophobicContact CB-CD2 4.02Å; R755-W775 HydrophobicContact CB-CE3 3.99Å; R755-W775 HydrophobicContact CB-CH2 4.02Å; R755-W775 HydrophobicContact CB-CZ2 3.98Å; R755-W775 HydrophobicContact CB-CZ3 4.01Å; R755-W775 HydrophobicContact CG-CD2 4.38Å; R755-W775 HydrophobicContact CG-CZ2 4.09Å; R755-S782 WeakPolarHBondContact O-CA 3.43Å |
| 756 | V | 87.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 140 | 173.7 | 148.9 | 0 | 0 | 0 | 0 | 110.1 | P562 L563 E773 C774 Y776 Y786 | P562-V756 HydrophobicContact CG-CG1 4.45Å; P562-V756 HydrophobicContact CG-CG2 4.3Å; L563-V756 HydrophobicContact CD1-CB 4.14Å; L563-V756 HydrophobicContact CD1-CG1 3.35Å; L563-V756 HydrophobicContact CD1-CG2 3.62Å; L563-V756 HydrophobicContact CD2-CG1 4.22Å; L563-V756 HydrophobicContact CG-CG1 3.72Å; V756-E773 VanDerWaalsContact O-CA 3.28Å; V756-E773 WeakPolarHBondContact O-CA 3.13Å; V756-C774 PolarHBondContact N-O 2.91Å; V756-C774 PolarHBondContact O-N 2.97Å; V756-Y776 HydrophobicContact CB-CD1 4.49Å; V756-Y776 HydrophobicContact CB-CE1 4.14Å; V756-Y776 HydrophobicContact CG2-CD1 4.18Å; V756-Y776 HydrophobicContact CG2-CE1 3.41Å; V756-Y776 VanDerWaalsContact CG2-CE1 3.41Å; V756-Y786 HydrophobicContact CB-CE1 4.41Å; V756-Y786 HydrophobicContact CG2-CD1 3.91Å; V756-Y786 HydrophobicContact CG2-CE1 3.73Å |
| 757 | F | 86.7 | Confident | 81.6 | Confident | 48 Ų | 48 | 53.8 Ų | 53.8 | 21% | 0.211 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 128.3 | 173.8 | -66 | -73.6 | 0 | 0 | 0 | 111 | E773 S782 Y783 Y786 | F757-E773 HydrophobicContact CD1-CB 4.23Å; F757-E773 HydrophobicContact CE1-CB 4.49Å; F757-S782 WeakPolarHBondContact CD2-O 3.04Å; F757-S782 VanDerWaalsContact CE2-O 3.25Å; F757-S782 WeakPolarHBondContact CE2-O 3.48Å; F757-Y783 HydrophobicContact CD2-CD1 4.27Å; F757-Y783 HydrophobicContact CD2-CE1 4.48Å; F757-Y783 AromaticContact CE2-CD1 3.52Å; F757-Y783 HydrophobicContact CE2-CD1 3.52Å; F757-Y783 AromaticContact CE2-CE1 3.39Å; F757-Y783 HydrophobicContact CE2-CE1 3.39Å; F757-Y783 HydrophobicContact CE2-CG 4.48Å; F757-Y783 HydrophobicContact CZ-CD1 4.36Å; F757-Y783 AromaticContact CZ-CE1 3.77Å; F757-Y783 HydrophobicContact CZ-CE1 3.77Å; F757-Y786 PolarHBondContact N-OH 3.16Å |
| 758 | T | 80 | Confident | 81 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -96 | 15 | -169.2 | 48 | 0 | 0 | 0 | 0 | 113.7 | N760 W761 I771 T772 E773 C774 | T758-N760 PolarHBondContact O-N 2.85Å; T758-W761 HydrophobicContact CG2-CD2 3.98Å; T758-W761 HydrophobicContact CG2-CE3 3.33Å; T758-W761 HydrophobicContact CG2-CH2 4.01Å; T758-W761 HydrophobicContact CG2-CZ3 3.34Å; T758-W761 WeakPolarHBondContact O-CB 3.35Å; T758-W761 PolarHBondContact O-N 3.01Å; T758-I771 PolarHBondContact OG1-O 3.23Å; T758-T772 PolarHBondContact N-O 3.5Å; T758-T772 VanDerWaalsContact N-O 3.1Å; T758-T772 PolarHBondContact OG1-O 2.03Å; T758-E773 PolarHBondContact OG1-N 3.43Å; T758-C774 HydrophobicContact CG2-CB 3.93Å; T758-C774 VanDerWaalsContact CG2-SG 3.53Å | ||
| 759 | K | 77.6 | Confident | 80.2 | Confident | 165 Ų | 165 | 59.1 Ų | 59.1 | 72% | 0.717 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -31.8 | -178 | -70.1 | -173.7 | 176.9 | -177.1 | 0 | 114.1 | W761 | K759-W761 VanDerWaalsContact C-N 3.34Š|
| 760 | N | 72.9 | Confident | 79.9 | Confident | 99 Ų | 99 | 66.3 Ų | 66.3 | 53% | 0.529 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -21.6 | 179.4 | -68.9 | -13.5 | 0 | 0 | 0 | 113.2 | T758 K763 | T758-N760 PolarHBondContact O-N 2.85Å; N760-K763 PolarHBondContact O-N 2.99Å |
| 761 | W | 73.7 | Confident | 79.5 | Confident | 6 Ų | 6 | 64.2 Ų | 64.2 | 2% | 0.023 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -78.5 | -19.3 | -177.6 | -63.5 | -11 | 0 | 0 | 0 | 113.9 | C337 P338 P562 T758 K759 K763 L764 S765 Y768 C774 | C337-W761 HydrophobicContact CB-CH2 4.06Å; P338-W761 VanDerWaalsContact CD-CH2 3.48Å; P338-W761 HydrophobicContact CG-CE3 4.35Å; P338-W761 HydrophobicContact CG-CH2 3.93Å; P338-W761 HydrophobicContact CG-CZ3 3.7Å; P562-W761 HydrophobicContact CB-CZ2 4.38Å; T758-W761 HydrophobicContact CG2-CD2 3.98Å; T758-W761 HydrophobicContact CG2-CE3 3.33Å; T758-W761 HydrophobicContact CG2-CH2 4.01Å; T758-W761 HydrophobicContact CG2-CZ3 3.34Å; T758-W761 WeakPolarHBondContact O-CB 3.35Å; T758-W761 PolarHBondContact O-N 3.01Å; K759-W761 VanDerWaalsContact C-N 3.34Å; W761-K763 PolarHBondContact O-N 3.49Å; W761-K763 VanDerWaalsContact O-N 3.1Å; W761-L764 WeakPolarHBondContact O-CB 3.22Å; W761-L764 PolarHBondContact O-N 2.54Å; W761-S765 PolarHBondContact O-N 2.86Å; W761-Y768 HydrophobicContact CB-CD1 4.47Å; W761-Y768 HydrophobicContact CB-CG 4.3Å; W761-Y768 AromaticContact CE3-CD1 3.97Å; W761-Y768 HydrophobicContact CE3-CD1 3.97Å; W761-Y768 AromaticContact CE3-CE1 3.95Å; W761-Y768 HydrophobicContact CE3-CE1 3.95Å; W761-Y768 HydrophobicContact CZ3-CE1 4.43Å; W761-C774 WeakPolarHBondContact CH2-SG 3.38Å; W761-C774 HydrophobicContact CZ3-CB 4.48Å; W761-C774 VanDerWaalsContact CZ3-SG 3.56Å |
| 762 | V | 72 | Confident | 79.3 | Confident | 60 Ų | 60 | 67.9 Ų | 67.9 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -57.1 | -26.8 | 172.3 | -172.6 | 0 | 0 | 0 | 0 | 111.4 | L764 E769 | V762-L764 VanDerWaalsContact C-N 3.31Å; V762-E769 HydrophobicContact CG1-CB 4.44Å; V762-E769 HydrophobicContact CG1-CG 4.37Å |
| 763 | K | 72.5 | Confident | 79.2 | Confident | 187 Ų | 187 | 70.4 Ų | 70.4 | 81% | 0.813 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -72.6 | -21.6 | 174.8 | -63 | -177.9 | 179.5 | 179.4 | 0 | 113.6 | N760 W761 | N760-K763 PolarHBondContact O-N 2.99Å; W761-K763 PolarHBondContact O-N 3.49Å; W761-K763 VanDerWaalsContact O-N 3.1Å |
| 764 | L | 71.5 | Confident | 79.1 | Confident | 68 Ų | 68 | 70 Ų | 70 | 36% | 0.356 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -35.2 | -173.9 | -73 | 126 | 0 | 0 | 0 | 113 | P342 L565 W761 V762 | P342-L764 HydrophobicContact CB-CB 3.97Å; P342-L764 HydrophobicContact CG-CB 4.42Å; L565-L764 HydrophobicContact CD1-CD1 3.75Å; L565-L764 HydrophobicContact CD1-CD2 4Å; W761-L764 WeakPolarHBondContact O-CB 3.22Å; W761-L764 PolarHBondContact O-N 2.54Å; V762-L764 VanDerWaalsContact C-N 3.31Å |
| 765 | S | 72.4 | Confident | 79.1 | Confident | 16 Ų | 16 | 71.7 Ų | 71.7 | 11% | 0.112 | 35% | 0.349 | C | S | . | . | trans | -152.2 | 145.6 | 169.2 | 172 | 0 | 0 | 0 | 0 | 111.6 | W761 D767 Y768 | W761-S765 PolarHBondContact O-N 2.86Å; S765-D767 PolarHBondContact O-N 3.17Å; S765-D767 VanDerWaalsContact OG-CG 3.29Å; S765-D767 PolarHBondContact OG-N 3.11Å; S765-D767 VanDerWaalsContact OG-N 3.1Å; S765-D767 PolarHBondContact OG-OD2 3.4Å; S765-Y768 PolarHBondContact O-N 3.46Å | ||
| 766 | K | 73.3 | Confident | 78.9 | Confident | 178 Ų | 178 | 69.5 Ų | 69.5 | 77% | 0.774 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -63 | -23.3 | 172.8 | -68.3 | -172.7 | 177.3 | -175.6 | 0 | 112.4 | Y768 E769 | K766-Y768 PolarHBondContact O-N 3.26Å; K766-E769 WeakPolarHBondContact O-CB 3.46Å; K766-E769 PolarHBondContact O-N 2.94Å; K766-E769 VanDerWaalsContact O-N 3.09Å |
| 767 | D | 72 | Confident | 78.7 | Confident | 106 Ų | 106 | 71.2 Ų | 71.2 | 57% | 0.567 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -62.3 | -18.4 | 179 | -53.8 | -39.3 | 0 | 0 | 0 | 112.5 | S765 | S765-D767 PolarHBondContact O-N 3.17Å; S765-D767 VanDerWaalsContact OG-CG 3.29Å; S765-D767 PolarHBondContact OG-N 3.11Å; S765-D767 VanDerWaalsContact OG-N 3.1Å; S765-D767 PolarHBondContact OG-OD2 3.4Å |
| 768 | Y | 75.6 | Confident | 78.6 | Confident | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.008 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -95.7 | 1.2 | 179.8 | -64.4 | -89.1 | 0 | 0 | 0 | 114.7 | P338 P342 C345 V347 W761 S765 K766 N770 I771 | P338-Y768 HydrophobicContact CG-CE1 4.2Å; P342-Y768 HydrophobicContact CB-CD2 4.45Å; P342-Y768 HydrophobicContact CB-CE2 3.7Å; P342-Y768 HydrophobicContact CG-CE2 3.74Å; C345-Y768 VanDerWaalsContact C-OH 3.32Å; C345-Y768 PolarHBondContact O-OH 3.13Å; V347-Y768 HydrophobicContact CG1-CD1 4.33Å; V347-Y768 HydrophobicContact CG1-CE1 3.86Å; W761-Y768 HydrophobicContact CB-CD1 4.47Å; W761-Y768 HydrophobicContact CB-CG 4.3Å; W761-Y768 AromaticContact CE3-CD1 3.97Å; W761-Y768 HydrophobicContact CE3-CD1 3.97Å; W761-Y768 AromaticContact CE3-CE1 3.95Å; W761-Y768 HydrophobicContact CE3-CE1 3.95Å; W761-Y768 HydrophobicContact CZ3-CE1 4.43Å; S765-Y768 PolarHBondContact O-N 3.46Å; K766-Y768 PolarHBondContact O-N 3.26Å; Y768-N770 PolarHBondContact O-N 3.43Å; Y768-I771 HydrophobicContact CD1-CD1 3.97Å; Y768-I771 PolarHBondContact O-N 3.03Å; Y768-I771 VanDerWaalsContact O-N 3.08Å |
| 769 | E | 74.2 | Confident | 79 | Confident | 134 Ų | 134 | 70.8 Ų | 70.8 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -33.5 | -175.3 | -166.6 | 167.2 | -164.1 | 0 | 0 | 112.5 | V762 K766 | V762-E769 HydrophobicContact CG1-CB 4.44Å; V762-E769 HydrophobicContact CG1-CG 4.37Å; K766-E769 WeakPolarHBondContact O-CB 3.46Å; K766-E769 PolarHBondContact O-N 2.94Å; K766-E769 VanDerWaalsContact O-N 3.09Å |
| 770 | N | 81.1 | Confident | 79.6 | Confident | 156 Ų | 156 | 64.5 Ų | 64.5 | 83% | 0.834 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -1.2 | 179.2 | -67.9 | -24.9 | 0 | 0 | 0 | 114.2 | Y768 | Y768-N770 PolarHBondContact O-N 3.43Š|
| 771 | I | 80.1 | Confident | 80.4 | Confident | 32 Ų | 32 | 64 Ų | 64 | 16% | 0.164 | 32% | 0.316 | C | S | . | . | trans | -107.1 | 109 | -174.1 | -59.5 | 161.7 | 0 | 0 | 0 | 108.7 | V347 T758 Y768 | V347-I771 HydrophobicContact CB-CD1 4.11Å; V347-I771 HydrophobicContact CG1-CD1 3.72Å; V347-I771 HydrophobicContact CG1-CG2 4.27Å; V347-I771 HydrophobicContact CG2-CD1 3.26Å; V347-I771 HydrophobicContact CG2-CG1 4.21Å; T758-I771 PolarHBondContact OG1-O 3.23Å; Y768-I771 HydrophobicContact CD1-CD1 3.97Å; Y768-I771 PolarHBondContact O-N 3.03Å; Y768-I771 VanDerWaalsContact O-N 3.08Å | ||
| 772 | T | 85 | Confident | 81 | Confident | 99 Ų | 99 | 64.8 Ų | 64.8 | 61% | 0.607 | 32% | 0.323 | S | S | * | . | trans | -89.7 | -30.2 | -176.5 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | T758 | T758-T772 PolarHBondContact N-O 3.5Å; T758-T772 VanDerWaalsContact N-O 3.1Å; T758-T772 PolarHBondContact OG1-O 2.03Å | ||
| 773 | E | 87.6 | Confident | 81.7 | Confident | 59 Ų | 59 | 69 Ų | 69 | 28% | 0.276 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 153.4 | -177.9 | 57.3 | 178.2 | -129 | 0 | 0 | 112 | R755 V756 F757 T758 | R755-E773 VanDerWaalsContact CD-OE2 3.31Å; R755-E773 WeakPolarHBondContact CD-OE2 3.45Å; R755-E773 HydrophobicContact CG-CB 4.26Å; R755-E773 IonicContact CZ-OE2 3.75Å; R755-E773 IonicContact NE-OE2 2.75Å; R755-E773 IonicContact NH1-OE2 3.93Å; R755-E773 PolarHBondContact NH1-OE2 3.06Å; V756-E773 VanDerWaalsContact O-CA 3.28Å; V756-E773 WeakPolarHBondContact O-CA 3.13Å; F757-E773 HydrophobicContact CD1-CB 4.23Å; F757-E773 HydrophobicContact CE1-CB 4.49Å; T758-E773 PolarHBondContact OG1-N 3.43Å |
| 774 | C | 87.7 | Confident | 82.1 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 159.4 | 170.7 | 73.2 | 0 | 0 | 0 | 0 | 110.8 | T335 C337 V756 T758 W761 | T335-C774 CarbonylContact O-C 3.57Å; T335-C774 WeakPolarHBondContact O-CA 3.48Å; C337-C774 VanDerWaalsContact CA-SG 3.56Å; C337-C774 HydrophobicContact CB-CB 3.92Å; C337-C774 WeakPolarHBondContact CB-SG 3.49Å; C337-C774 WeakPolarHBondContact SG-CB 3.28Å; C337-C774 CovalentContact SG-SG 2.05Å; C337-C774 PolarHBondContact SG-SG 2.93Å; V756-C774 PolarHBondContact N-O 2.91Å; V756-C774 PolarHBondContact O-N 2.97Å; T758-C774 HydrophobicContact CG2-CB 3.93Å; T758-C774 VanDerWaalsContact CG2-SG 3.53Å; W761-C774 WeakPolarHBondContact CH2-SG 3.38Å; W761-C774 HydrophobicContact CZ3-CB 4.48Å; W761-C774 VanDerWaalsContact CZ3-SG 3.56Å |
| 775 | W | 88.9 | Confident | 82.7 | Confident | 37 Ų | 37 | 66.6 Ų | 66.6 | 14% | 0.14 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 146.9 | -177.7 | -64.8 | 77.1 | 0 | 0 | 0 | 111.4 | L334 T335 M336 C337 L753 S754 R755 | L334-W775 HydrophobicContact CB-CG 4.33Å; L334-W775 HydrophobicContact CD1-CD2 4.04Å; L334-W775 HydrophobicContact CD1-CE3 4.31Å; L334-W775 HydrophobicContact CD1-CG 4.16Å; L334-W775 HydrophobicContact CD2-CD2 4.25Å; L334-W775 HydrophobicContact CD2-CG 4.37Å; L334-W775 HydrophobicContact CD2-CZ2 4.14Å; T335-W775 PolarHBondContact O-N 3.32Å; M336-W775 WeakPolarHBondContact CA-O 3.24Å; M336-W775 WeakPolarHBondContact CE-O 3.11Å; M336-W775 HydrophobicContact SD-CB 4.09Å; C337-W775 PolarHBondContact N-O 3.35Å; C337-W775 PolarHBondContact SG-O 3.47Å; C337-W775 VanDerWaalsContact SG-O 3.36Å; L753-W775 HydrophobicContact CB-CE3 3.79Å; L753-W775 HydrophobicContact CB-CZ3 4.43Å; S754-W775 WeakPolarHBondContact O-CA 3.41Å; R755-W775 HydrophobicContact CB-CD2 4.02Å; R755-W775 HydrophobicContact CB-CE3 3.99Å; R755-W775 HydrophobicContact CB-CH2 4.02Å; R755-W775 HydrophobicContact CB-CZ2 3.98Å; R755-W775 HydrophobicContact CB-CZ3 4.01Å; R755-W775 HydrophobicContact CG-CD2 4.38Å; R755-W775 HydrophobicContact CG-CZ2 4.09Å |
| 776 | Y | 84.7 | Confident | 83.3 | Confident | 8 Ų | 8 | 66.9 Ų | 66.9 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 156.2 | 176.6 | 68.7 | -72.6 | 0 | 0 | 0 | 110 | P562 L571 L753 S754 V756 G778 R780 | P562-Y776 HydrophobicContact CG-CD1 3.8Å; P562-Y776 HydrophobicContact CG-CD2 4.43Å; P562-Y776 HydrophobicContact CG-CE1 4.09Å; P562-Y776 HydrophobicContact CG-CG 4Å; L571-Y776 HydrophobicContact CD2-CD2 4.48Å; L753-Y776 CarbonylContact C-O 3.55Å; L753-Y776 WeakPolarHBondContact CA-O 3.29Å; S754-Y776 PolarHBondContact N-O 2.94Å; S754-Y776 WeakPolarHBondContact O-CD1 3.17Å; S754-Y776 WeakPolarHBondContact O-CE1 3.29Å; S754-Y776 PolarHBondContact O-N 3.44Å; V756-Y776 HydrophobicContact CB-CD1 4.49Å; V756-Y776 HydrophobicContact CB-CE1 4.14Å; V756-Y776 HydrophobicContact CG2-CD1 4.18Å; V756-Y776 HydrophobicContact CG2-CE1 3.41Å; V756-Y776 VanDerWaalsContact CG2-CE1 3.41Å; Y776-G778 PolarHBondContact O-N 3.36Å; Y776-R780 WeakPolarHBondContact OH-CD 3.48Å |
| 777 | K | 83.6 | Confident | 84 | Confident | 35 Ų | 35 | 61 Ų | 61 | 15% | 0.152 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 126.6 | 177.8 | -169.5 | 170.5 | -178.7 | 167 | 0 | 110.1 | D728 L753 | D728-K777 IonicContact OD1-NZ 3.42Å; D728-K777 PolarHBondContact OD1-NZ 3.37Å; D728-K777 IonicContact OD2-NZ 2.76Å; D728-K777 PolarHBondContact OD2-NZ 2.93Å; L753-K777 HydrophobicContact CD2-CB 4.45Å |
| 778 | G | 84.3 | Confident | 84.7 | Confident | 16 Ų | 16 | 58.8 Ų | 58.8 | 17% | 0.165 | 31% | 0.309 | C | S | . | . | S | Bend | trans | 160.4 | 165.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S752 L753 S754 Y776 | S752-G778 PolarHBondContact O-N 3.01Å; L753-G778 CarbonylContact C-O 3.42Å; S754-G778 WeakPolarHBondContact CB-O 3.18Å; S754-G778 PolarHBondContact N-O 3.13Å; S754-G778 PolarHBondContact OG-O 2.92Å; Y776-G778 PolarHBondContact O-N 3.36Å |
| 779 | Y | 87.9 | Confident | 85.4 | Confident | 23 Ų | 23 | 60.7 Ų | 60.7 | 9% | 0.09 | 32% | 0.317 | C | S | . | . | trans | -116.7 | 64 | -180 | -61.7 | -73.7 | 0 | 0 | 0 | 111.6 | F751 K789 R791 F792 M795 | F751-Y779 HydrophobicContact CD1-CE1 4.2Å; F751-Y779 AromaticContact CE1-CE1 3.79Å; F751-Y779 HydrophobicContact CE1-CE1 3.79Å; F751-Y779 HydrophobicContact CZ-CE1 4.24Å; Y779-K789 WeakPolarHBondContact O-CB 3.46Å; Y779-K789 PolarHBondContact O-N 2.88Å; Y779-R791 HydrophobicContact CD1-CB 4.39Å; Y779-F792 HydrophobicContact CD2-CD2 4.4Å; Y779-M795 HydrophobicContact CE1-CE 4.46Å; Y779-M795 HydrophobicContact CE2-CB 4.22Å; Y779-M795 HydrophobicContact CE2-CE 4.46Å; Y779-M795 HydrophobicContact CE2-CG 3.85Å; Y779-M795 WeakPolarHBondContact OH-CE 3.49Å | ||
| 780 | R | 89.5 | Confident | 86.2 | Confident | 33 Ų | 33 | 58.3 Ų | 58.3 | 13% | 0.125 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -117.7 | 154.8 | -176.2 | -72.7 | 175.7 | 176.9 | -110.5 | 7.3 | 112.6 | D560 S754 Y776 Y786 S787 L788 K789 | D560-R780 VanDerWaalsContact CA-NH2 3.3Å; D560-R780 WeakPolarHBondContact O-CD 3.38Å; D560-R780 PolarHBondContact O-NE 3.49Å; D560-R780 PolarHBondContact O-NH2 2.95Å; D560-R780 VanDerWaalsContact O-NH2 3.14Å; D560-R780 IonicContact OD1-CZ 3.17Å; D560-R780 IonicContact OD1-NH1 2.97Å; D560-R780 IonicContact OD1-NH2 3.93Å; D560-R780 PolarHBondContact OD1-NH2 3.45Å; S754-R780 PolarHBondContact OG-N 3.21Å; S754-R780 PolarHBondContact OG-O 3.25Å; Y776-R780 WeakPolarHBondContact OH-CD 3.48Å; R780-Y786 WeakPolarHBondContact CD-O 3.06Å; R780-Y786 PolarHBondContact NH1-O 3.03Å; R780-S787 CarbonylContact C-O 3.59Å; R780-S787 WeakPolarHBondContact CA-O 3.3Å; R780-L788 HydrophobicContact CG-CD2 4Å; R780-K789 WeakPolarHBondContact O-CD 3.08Å; R780-K789 WeakPolarHBondContact O-CE 3.08Å; R780-K789 PolarHBondContact O-NZ 3.48Å |
| 781 | H | 89.8 | Confident | 86.5 | Confident | 89 Ų | 89 | 55.5 Ų | 55.5 | 41% | 0.412 | 29% | 0.293 | S | S | . | . | trans | -63.3 | 145.6 | 172.2 | -76.5 | -85 | 0 | 0 | 0 | 110.3 | Y783 Y786 S787 | H781-Y783 VanDerWaalsContact C-N 3.26Å; H781-Y783 PolarHBondContact O-N 3.45Å; H781-Y786 WeakPolarHBondContact O-CD1 3.32Å; H781-S787 PolarHBondContact CD2-O 3.04Å; H781-S787 PolarHBondContact CD2-OG 2.95Å; H781-S787 PolarHBondContact N-O 3.16Å | ||
| 782 | S | 87.9 | Confident | 87 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 16% | 0.161 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -77.7 | -9 | -175.5 | -54.6 | 0 | 0 | 0 | 0 | 114.4 | R755 F757 Y786 | R755-S782 WeakPolarHBondContact O-CA 3.43Å; F757-S782 WeakPolarHBondContact CD2-O 3.04Å; F757-S782 VanDerWaalsContact CE2-O 3.25Å; F757-S782 WeakPolarHBondContact CE2-O 3.48Å; S782-Y786 WeakPolarHBondContact O-CE1 3.47Å |
| 783 | Y | 86.4 | Confident | 87.4 | Confident | 148 Ų | 148 | 59.7 Ų | 59.7 | 58% | 0.58 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -118.1 | 148.5 | -177.2 | -58 | -76.2 | 0 | 0 | 0 | 109.9 | F757 H781 Y786 | F757-Y783 HydrophobicContact CD2-CD1 4.27Å; F757-Y783 HydrophobicContact CD2-CE1 4.48Å; F757-Y783 AromaticContact CE2-CD1 3.52Å; F757-Y783 HydrophobicContact CE2-CD1 3.52Å; F757-Y783 AromaticContact CE2-CE1 3.39Å; F757-Y783 HydrophobicContact CE2-CE1 3.39Å; F757-Y783 HydrophobicContact CE2-CG 4.48Å; F757-Y783 HydrophobicContact CZ-CD1 4.36Å; F757-Y783 AromaticContact CZ-CE1 3.77Å; F757-Y783 HydrophobicContact CZ-CE1 3.77Å; H781-Y783 VanDerWaalsContact C-N 3.26Å; H781-Y783 PolarHBondContact O-N 3.45Å; Y783-Y786 WeakPolarHBondContact O-CA 2.92Å; Y783-Y786 PolarHBondContact O-N 3.35Å |
| 784 | P | 81.2 | Confident | 87.6 | Confident | 91 Ų | 91 | 60.3 Ų | 60.3 | 59% | 0.591 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | 137.2 | 173 | -25.2 | 32.9 | 0 | 0 | 0 | 111.4 | Y786 | P784-Y786 VanDerWaalsContact C-N 3.35Å; P784-Y786 VanDerWaalsContact CA-N 3.33Å; P784-Y786 HydrophobicContact CB-CD2 4.46Å; P784-Y786 HydrophobicContact CB-CE2 4.2Å; P784-Y786 HydrophobicContact CG-CD2 4.44Å; P784-Y786 HydrophobicContact CG-CE2 3.73Å |
| 785 | P | 83.5 | Confident | 87.8 | Confident | 114 Ų | 114 | 60.4 Ų | 60.4 | 74% | 0.74 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -86.4 | 17.2 | 14 | 35.5 | -37.2 | 0 | 0 | 0 | 115.1 | S787 | P785-S787 VanDerWaalsContact C-N 3.26Å; P785-S787 PolarHBondContact O-N 3.28Å |
| 786 | Y | 83.9 | Confident | 87.9 | Confident | 22 Ų | 22 | 61.3 Ų | 61.3 | 9% | 0.086 | 31% | 0.308 | C | S | . | . | trans | 56 | 41 | -177.9 | -53.9 | -74.8 | 0 | 0 | 0 | 112.6 | T561 L563 V756 F757 R780 H781 S782 Y783 P784 | T561-Y786 HydrophobicContact CG2-CG 4.39Å; L563-Y786 HydrophobicContact CD1-CD2 3.8Å; L563-Y786 HydrophobicContact CD1-CE1 4.43Å; L563-Y786 HydrophobicContact CD1-CE2 3.34Å; L563-Y786 HydrophobicContact CD1-CG 4.5Å; L563-Y786 HydrophobicContact CD2-CE2 4.46Å; V756-Y786 HydrophobicContact CB-CE1 4.41Å; V756-Y786 HydrophobicContact CG2-CD1 3.91Å; V756-Y786 HydrophobicContact CG2-CE1 3.73Å; F757-Y786 PolarHBondContact N-OH 3.16Å; R780-Y786 WeakPolarHBondContact CD-O 3.06Å; R780-Y786 PolarHBondContact NH1-O 3.03Å; H781-Y786 WeakPolarHBondContact O-CD1 3.32Å; S782-Y786 WeakPolarHBondContact O-CE1 3.47Å; Y783-Y786 WeakPolarHBondContact O-CA 2.92Å; Y783-Y786 PolarHBondContact O-N 3.35Å; P784-Y786 VanDerWaalsContact C-N 3.35Å; P784-Y786 VanDerWaalsContact CA-N 3.33Å; P784-Y786 HydrophobicContact CB-CD2 4.46Å; P784-Y786 HydrophobicContact CB-CE2 4.2Å; P784-Y786 HydrophobicContact CG-CD2 4.44Å; P784-Y786 HydrophobicContact CG-CE2 3.73Å | ||
| 787 | S | 88.3 | Confident | 88.4 | Confident | 55 Ų | 55 | 63.7 Ų | 63.7 | 39% | 0.385 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 156.2 | 177.8 | 54.3 | 0 | 0 | 0 | 0 | 111.6 | R780 H781 P785 K789 | R780-S787 CarbonylContact C-O 3.59Å; R780-S787 WeakPolarHBondContact CA-O 3.3Å; H781-S787 PolarHBondContact CD2-O 3.04Å; H781-S787 PolarHBondContact CD2-OG 2.95Å; H781-S787 PolarHBondContact N-O 3.16Å; P785-S787 VanDerWaalsContact C-N 3.26Å; P785-S787 PolarHBondContact O-N 3.28Å; S787-K789 PolarHBondContact O-N 3.49Å |
| 788 | L | 87.6 | Confident | 88.9 | Confident | 59 Ų | 59 | 64 Ų | 64 | 31% | 0.309 | 33% | 0.334 | S | S | . | . | B | Isolated β-bridge | trans | -60.8 | 131.1 | 174 | -62.9 | 168.6 | 0 | 0 | 0 | 109.8 | R780 F792 W793 | R780-L788 HydrophobicContact CG-CD2 4Å; L788-F792 HydrophobicContact CB-CB 4.25Å; L788-F792 HydrophobicContact CB-CD1 4.3Å; L788-F792 HydrophobicContact CB-CG 4.37Å; L788-F792 HydrophobicContact CD1-CD1 3.81Å; L788-F792 HydrophobicContact CD1-CE1 3.85Å; L788-F792 HydrophobicContact CD1-CG 4.44Å; L788-F792 HydrophobicContact CD2-CB 4.33Å; L788-F792 HydrophobicContact CD2-CD1 4.02Å; L788-F792 HydrophobicContact CD2-CD2 3.93Å; L788-F792 HydrophobicContact CD2-CE1 4.31Å; L788-F792 HydrophobicContact CD2-CE2 4.22Å; L788-F792 HydrophobicContact CD2-CG 3.82Å; L788-F792 HydrophobicContact CD2-CZ 4.4Å; L788-F792 HydrophobicContact CG-CD1 4.27Å; L788-F792 HydrophobicContact CG-CG 4.43Å; L788-W793 HydrophobicContact CD1-CZ2 4.34Å |
| 789 | K | 89.7 | Confident | 89.4 | Confident | 42 Ų | 42 | 64.6 Ų | 64.6 | 18% | 0.183 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 157.1 | 171.3 | -74.9 | 167.4 | 168.3 | 152.2 | 0 | 109.4 | Y779 R780 S787 R791 F792 | Y779-K789 WeakPolarHBondContact O-CB 3.46Å; Y779-K789 PolarHBondContact O-N 2.88Å; R780-K789 WeakPolarHBondContact O-CD 3.08Å; R780-K789 WeakPolarHBondContact O-CE 3.08Å; R780-K789 PolarHBondContact O-NZ 3.48Å; S787-K789 PolarHBondContact O-N 3.49Å; K789-R791 HydrophobicContact CB-CB 4.33Å; K789-R791 PolarHBondContact O-N 2.88Å; K789-R791 VanDerWaalsContact O-N 3.13Å; K789-F792 VanDerWaalsContact O-CB 3.27Å; K789-F792 WeakPolarHBondContact O-CB 3.42Å; K789-F792 PolarHBondContact O-N 2.84Å |
| 790 | S | 90.5 | Very high | 89.7 | Confident | 83 Ų | 83 | 67.4 Ų | 67.4 | 58% | 0.58 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -52.8 | -34.2 | 169.4 | 177.1 | 0 | 0 | 0 | 0 | 112.4 | F792 W793 E794 | S790-F792 PolarHBondContact O-N 3.44Å; S790-W793 PolarHBondContact O-N 2.88Å; S790-E794 PolarHBondContact O-N 2.89Å; S790-E794 VanDerWaalsContact O-N 3.13Å |
| 791 | R | 88.9 | Confident | 90 | Very high | 97 Ų | 97 | 72.8 Ų | 72.8 | 37% | 0.366 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -55.6 | -31.8 | 174.1 | -61.7 | -173.7 | -169.2 | 167.3 | 2.9 | 114.5 | Y779 K789 W793 M795 | Y779-R791 HydrophobicContact CD1-CB 4.39Å; K789-R791 HydrophobicContact CB-CB 4.33Å; K789-R791 PolarHBondContact O-N 2.88Å; K789-R791 VanDerWaalsContact O-N 3.13Å; R791-W793 VanDerWaalsContact C-N 3.35Å; R791-M795 VanDerWaalsContact O-CB 3.3Å; R791-M795 WeakPolarHBondContact O-CB 3.34Å; R791-M795 PolarHBondContact O-N 3.39Å |
| 792 | F | 89.9 | Confident | 90.3 | Very high | 66 Ų | 66 | 69 Ų | 69 | 29% | 0.289 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 176.1 | 175.9 | -98.1 | 0 | 0 | 0 | 110.8 | Y779 L788 K789 S790 M795 L796 | Y779-F792 HydrophobicContact CD2-CD2 4.4Å; L788-F792 HydrophobicContact CB-CB 4.25Å; L788-F792 HydrophobicContact CB-CD1 4.3Å; L788-F792 HydrophobicContact CB-CG 4.37Å; L788-F792 HydrophobicContact CD1-CD1 3.81Å; L788-F792 HydrophobicContact CD1-CE1 3.85Å; L788-F792 HydrophobicContact CD1-CG 4.44Å; L788-F792 HydrophobicContact CD2-CB 4.33Å; L788-F792 HydrophobicContact CD2-CD1 4.02Å; L788-F792 HydrophobicContact CD2-CD2 3.93Å; L788-F792 HydrophobicContact CD2-CE1 4.31Å; L788-F792 HydrophobicContact CD2-CE2 4.22Å; L788-F792 HydrophobicContact CD2-CG 3.82Å; L788-F792 HydrophobicContact CD2-CZ 4.4Å; L788-F792 HydrophobicContact CG-CD1 4.27Å; L788-F792 HydrophobicContact CG-CG 4.43Å; K789-F792 VanDerWaalsContact O-CB 3.27Å; K789-F792 WeakPolarHBondContact O-CB 3.42Å; K789-F792 PolarHBondContact O-N 2.84Å; S790-F792 PolarHBondContact O-N 3.44Å; F792-M795 PolarHBondContact O-N 3.26Å; F792-L796 HydrophobicContact CE1-CD2 4.36Å; F792-L796 WeakPolarHBondContact O-CB 3.39Å; F792-L796 PolarHBondContact O-N 3.46Å |
| 793 | W | 92.4 | Very high | 90.6 | Very high | 154 Ų | 154 | 70.4 Ų | 70.4 | 58% | 0.583 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -69.1 | -37.6 | -179.7 | -64.3 | 105.8 | 0 | 0 | 0 | 112.1 | L788 S790 R791 L796 A797 | L788-W793 HydrophobicContact CD1-CZ2 4.34Å; S790-W793 PolarHBondContact O-N 2.88Å; R791-W793 VanDerWaalsContact C-N 3.35Å; W793-L796 HydrophobicContact CE3-CD2 4.11Å; W793-L796 HydrophobicContact CZ3-CD2 4.11Å; W793-L796 PolarHBondContact O-N 2.85Å; W793-A797 WeakPolarHBondContact O-CB 3.49Å; W793-A797 PolarHBondContact O-N 3.43Å |
| 794 | E | 93.3 | Very high | 91.1 | Very high | 71 Ų | 71 | 66.9 Ų | 66.9 | 33% | 0.332 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.2 | -49.4 | 171.5 | -66.4 | 173.8 | 167.8 | 0 | 0 | 111 | Y734 S790 L796 A797 V798 | Y734-E794 PolarHBondContact OH-OE2 3.46Å; Y734-E794 VanDerWaalsContact OH-OE2 3.05Å; S790-E794 PolarHBondContact O-N 2.89Å; S790-E794 VanDerWaalsContact O-N 3.13Å; E794-L796 PolarHBondContact O-N 2.74Å; E794-A797 PolarHBondContact O-N 2.83Å; E794-V798 VanDerWaalsContact O-CG2 3.28Å; E794-V798 WeakPolarHBondContact O-CG2 3.32Å; E794-V798 PolarHBondContact O-N 3.13Å |
| 795 | M | 90.7 | Very high | 91.8 | Very high | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.015 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 178.3 | -170.4 | 62.2 | 59.7 | 0 | 0 | 111.5 | P731 Y734 F751 Y779 R791 F792 A797 V798 R799 | P731-M795 HydrophobicContact CB-CE 4.24Å; P731-M795 HydrophobicContact CB-SD 3.74Å; P731-M795 HydrophobicContact CG-SD 3.83Å; Y734-M795 HydrophobicContact CD1-CE 3.47Å; Y734-M795 VanDerWaalsContact CD1-CE 3.47Å; Y734-M795 HydrophobicContact CD1-SD 4.4Å; Y734-M795 HydrophobicContact CE1-CE 3.94Å; Y734-M795 HydrophobicContact CG-CE 4.37Å; F751-M795 HydrophobicContact CE1-CE 3.96Å; F751-M795 HydrophobicContact CZ-CE 4.42Å; Y779-M795 HydrophobicContact CE1-CE 4.46Å; Y779-M795 HydrophobicContact CE2-CB 4.22Å; Y779-M795 HydrophobicContact CE2-CE 4.46Å; Y779-M795 HydrophobicContact CE2-CG 3.85Å; Y779-M795 WeakPolarHBondContact OH-CE 3.49Å; R791-M795 VanDerWaalsContact O-CB 3.3Å; R791-M795 WeakPolarHBondContact O-CB 3.34Å; R791-M795 PolarHBondContact O-N 3.39Å; F792-M795 PolarHBondContact O-N 3.26Å; M795-A797 PolarHBondContact O-N 2.68Å; M795-V798 PolarHBondContact O-N 3.13Å; M795-R799 WeakPolarHBondContact O-CB 3.33Å; M795-R799 VanDerWaalsContact O-CG 3.29Å; M795-R799 WeakPolarHBondContact O-CG 3.47Å; M795-R799 PolarHBondContact O-N 3.25Å |
| 796 | L | 91.7 | Very high | 92.3 | Very high | 55 Ų | 55 | 60.8 Ų | 60.8 | 29% | 0.288 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 176.7 | -178.6 | 62.4 | 0 | 0 | 0 | 111.5 | F792 W793 E794 V798 R799 I800 | F792-L796 HydrophobicContact CE1-CD2 4.36Å; F792-L796 WeakPolarHBondContact O-CB 3.39Å; F792-L796 PolarHBondContact O-N 3.46Å; W793-L796 HydrophobicContact CE3-CD2 4.11Å; W793-L796 HydrophobicContact CZ3-CD2 4.11Å; W793-L796 PolarHBondContact O-N 2.85Å; E794-L796 PolarHBondContact O-N 2.74Å; L796-V798 PolarHBondContact O-N 3.07Å; L796-R799 PolarHBondContact O-N 1.98Å; L796-I800 HydrophobicContact CD1-CD1 4.14Å; L796-I800 HydrophobicContact CD1-CG1 4.38Å; L796-I800 HydrophobicContact CG-CD1 3.97Å; L796-I800 VanDerWaalsContact O-CG1 3.32Å; L796-I800 WeakPolarHBondContact O-CG1 3.39Å; L796-I800 PolarHBondContact O-N 3.19Å |
| 797 | A | 95 | Very high | 92.9 | Very high | 58 Ų | 58 | 60.9 Ų | 60.9 | 48% | 0.479 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | W793 E794 M795 I800 F801 | W793-A797 WeakPolarHBondContact O-CB 3.49Å; W793-A797 PolarHBondContact O-N 3.43Å; E794-A797 PolarHBondContact O-N 2.83Å; M795-A797 PolarHBondContact O-N 2.68Å; A797-I800 PolarHBondContact O-N 3.49Å; A797-F801 VanDerWaalsContact O-CB 3.32Å; A797-F801 WeakPolarHBondContact O-CB 3.3Å; A797-F801 PolarHBondContact O-N 2.99Å |
| 798 | V | 94.5 | Very high | 93.3 | Very high | 42 Ų | 42 | 61.8 Ų | 61.8 | 26% | 0.255 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 176.6 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | I730 Y734 E794 M795 L796 F801 G802 | I730-V798 HydrophobicContact CG2-CG1 3.65Å; Y734-V798 HydrophobicContact CD2-CG1 4.37Å; Y734-V798 HydrophobicContact CD2-CG2 3.73Å; Y734-V798 HydrophobicContact CE2-CG2 3.95Å; Y734-V798 HydrophobicContact CG-CG2 4.43Å; E794-V798 VanDerWaalsContact O-CG2 3.28Å; E794-V798 WeakPolarHBondContact O-CG2 3.32Å; E794-V798 PolarHBondContact O-N 3.13Å; M795-V798 PolarHBondContact O-N 3.13Å; L796-V798 PolarHBondContact O-N 3.07Å; V798-F801 PolarHBondContact O-N 2.88Å; V798-G802 PolarHBondContact O-N 3.18Å |
| 799 | R | 94.1 | Very high | 93.6 | Very high | 29 Ų | 29 | 62.8 Ų | 62.8 | 11% | 0.109 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 174.2 | -71.6 | -176.9 | 169.1 | -179.1 | -5.6 | 111.9 | E556 S724 F725 I730 M795 L796 G802 F803 | E556-R799 IonicContact OE2-NH1 2.74Å; S724-R799 WeakPolarHBondContact O-CD 3.49Å; S724-R799 WeakPolarHBondContact O-CG 3.39Å; F725-R799 HydrophobicContact CD1-CB 4.16Å; F725-R799 HydrophobicContact CE1-CB 4.08Å; F725-R799 PolarHBondContact O-NH1 3.44Å; I730-R799 HydrophobicContact CG2-CG 4.48Å; M795-R799 WeakPolarHBondContact O-CB 3.33Å; M795-R799 VanDerWaalsContact O-CG 3.29Å; M795-R799 WeakPolarHBondContact O-CG 3.47Å; M795-R799 PolarHBondContact O-N 3.25Å; L796-R799 PolarHBondContact O-N 1.98Å; R799-G802 PolarHBondContact O-N 3.36Å; R799-F803 WeakPolarHBondContact O-CB 3.38Å; R799-F803 PolarHBondContact O-N 3.24Å |
| 800 | I | 95.5 | Very high | 93.9 | Very high | 82 Ų | 82 | 60.8 Ų | 60.8 | 42% | 0.421 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 176.8 | -68.4 | 168.5 | 0 | 0 | 0 | 111.2 | F725 L796 A797 F803 T804 | F725-I800 HydrophobicContact CE1-CG1 4.34Å; F725-I800 HydrophobicContact CZ-CG1 4.33Å; L796-I800 HydrophobicContact CD1-CD1 4.14Å; L796-I800 HydrophobicContact CD1-CG1 4.38Å; L796-I800 HydrophobicContact CG-CD1 3.97Å; L796-I800 VanDerWaalsContact O-CG1 3.32Å; L796-I800 WeakPolarHBondContact O-CG1 3.39Å; L796-I800 PolarHBondContact O-N 3.19Å; A797-I800 PolarHBondContact O-N 3.49Å; I800-F803 PolarHBondContact O-N 3.45Å; I800-T804 PolarHBondContact O-N 3.31Å; I800-T804 PolarHBondContact O-OG1 3.48Å |
| 801 | F | 95.8 | Very high | 94.1 | Very high | 145 Ų | 145 | 60.3 Ų | 60.3 | 64% | 0.636 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.8 | -49.2 | 174.8 | 179.4 | -101.5 | 0 | 0 | 0 | 111.2 | A797 V798 F803 T804 V805 | A797-F801 VanDerWaalsContact O-CB 3.32Å; A797-F801 WeakPolarHBondContact O-CB 3.3Å; A797-F801 PolarHBondContact O-N 2.99Å; V798-F801 PolarHBondContact O-N 2.88Å; F801-F803 VanDerWaalsContact C-N 3.32Å; F801-F803 PolarHBondContact O-N 3.48Å; F801-T804 PolarHBondContact O-N 3.19Å; F801-V805 HydrophobicContact CD1-CG2 4.26Å; F801-V805 HydrophobicContact CD2-CG2 4.42Å; F801-V805 HydrophobicContact CE1-CG2 3.86Å; F801-V805 HydrophobicContact CE2-CG2 4.03Å; F801-V805 HydrophobicContact CZ-CG2 3.73Å; F801-V805 WeakPolarHBondContact O-CG2 3.32Å; F801-V805 PolarHBondContact O-N 2.83Å |
| 802 | G | 94.2 | Very high | 94.4 | Very high | 10 Ų | 10 | 59 Ų | 59 | 10% | 0.103 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.9 | -44.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V798 R799 V805 L806 | V798-G802 PolarHBondContact O-N 3.18Å; R799-G802 PolarHBondContact O-N 3.36Å; G802-V805 PolarHBondContact O-N 3.33Å; G802-L806 WeakPolarHBondContact O-CB 3.34Å; G802-L806 VanDerWaalsContact O-CG 3.28Å; G802-L806 WeakPolarHBondContact O-CG 3.31Å; G802-L806 PolarHBondContact O-N 2.73Å |
| 803 | F | 95.8 | Very high | 94.5 | Very high | 53 Ų | 53 | 58.4 Ų | 58.4 | 23% | 0.232 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.8 | -50.2 | 175.4 | 174.5 | -108.7 | 0 | 0 | 0 | 111.9 | A720 A721 S724 F725 R799 I800 F801 V805 L806 V807 | A720-F803 HydrophobicContact CB-CD2 4.03Å; A720-F803 HydrophobicContact CB-CE2 4.05Å; A721-F803 HydrophobicContact CB-CD2 4.25Å; A721-F803 HydrophobicContact CB-CE2 3.89Å; S724-F803 WeakPolarHBondContact OG-CA 3.03Å; S724-F803 PolarHBondContact OG-N 3.43Å; S724-F803 VanDerWaalsContact OG-N 3.15Å; F725-F803 HydrophobicContact CE2-CB 4.12Å; F725-F803 HydrophobicContact CE2-CD2 4.13Å; F725-F803 AromaticContact CE2-CG 4Å; F725-F803 HydrophobicContact CE2-CG 4Å; F725-F803 HydrophobicContact CZ-CB 4.33Å; F725-F803 HydrophobicContact CZ-CG 4.49Å; R799-F803 WeakPolarHBondContact O-CB 3.38Å; R799-F803 PolarHBondContact O-N 3.24Å; I800-F803 PolarHBondContact O-N 3.45Å; F801-F803 VanDerWaalsContact C-N 3.32Å; F801-F803 PolarHBondContact O-N 3.48Å; F803-V805 PolarHBondContact O-N 2.63Å; F803-L806 PolarHBondContact O-N 3.19Å; F803-V807 HydrophobicContact CD1-CG2 4.46Å; F803-V807 HydrophobicContact CD2-CG2 3.97Å; F803-V807 HydrophobicContact CE1-CG2 4.11Å; F803-V807 HydrophobicContact CE2-CG2 3.57Å; F803-V807 HydrophobicContact CG-CG2 4.41Å; F803-V807 HydrophobicContact CZ-CG2 3.65Å; F803-V807 WeakPolarHBondContact O-CB 3.18Å; F803-V807 VanDerWaalsContact O-CG2 3.25Å; F803-V807 WeakPolarHBondContact O-CG2 3.5Å; F803-V807 PolarHBondContact O-N 3.02Å |
| 804 | T | 96.4 | Very high | 94.5 | Very high | 73 Ų | 73 | 51.7 Ų | 51.7 | 45% | 0.448 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | -179.1 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | I800 F801 V807 C808 | I800-T804 PolarHBondContact O-N 3.31Å; I800-T804 PolarHBondContact O-OG1 3.48Å; F801-T804 PolarHBondContact O-N 3.19Å; T804-V807 PolarHBondContact O-N 3.36Å; T804-C808 WeakPolarHBondContact O-CB 3.28Å; T804-C808 PolarHBondContact O-N 3.03Å; T804-C808 PolarHBondContact O-SG 3.38Å |
| 805 | V | 95.6 | Very high | 94.5 | Very high | 57 Ų | 57 | 55 Ų | 55 | 35% | 0.345 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.6 | -47.9 | 177.9 | 171 | 0 | 0 | 0 | 0 | 111.1 | F801 G802 F803 C808 I809 | F801-V805 HydrophobicContact CD1-CG2 4.26Å; F801-V805 HydrophobicContact CD2-CG2 4.42Å; F801-V805 HydrophobicContact CE1-CG2 3.86Å; F801-V805 HydrophobicContact CE2-CG2 4.03Å; F801-V805 HydrophobicContact CZ-CG2 3.73Å; F801-V805 WeakPolarHBondContact O-CG2 3.32Å; F801-V805 PolarHBondContact O-N 2.83Å; G802-V805 PolarHBondContact O-N 3.33Å; F803-V805 PolarHBondContact O-N 2.63Å; V805-C808 PolarHBondContact O-N 3.24Å; V805-I809 HydrophobicContact CG1-CD1 3.66Å; V805-I809 HydrophobicContact CG1-CG1 4.4Å; V805-I809 VanDerWaalsContact O-CG1 3.28Å; V805-I809 WeakPolarHBondContact O-CG1 3.45Å; V805-I809 PolarHBondContact O-N 3.12Å |
| 806 | L | 94.7 | Very high | 94.7 | Very high | 20 Ų | 20 | 59.3 Ų | 59.3 | 11% | 0.105 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 179.2 | -73.8 | 171.7 | 0 | 0 | 0 | 111.8 | L370 A720 L723 G802 F803 C808 I809 F810 | L370-L806 HydrophobicContact CD1-CD2 4.12Å; A720-L806 HydrophobicContact CB-CB 3.98Å; L723-L806 HydrophobicContact CB-CD1 3.93Å; L723-L806 HydrophobicContact CD1-CD1 4.27Å; G802-L806 WeakPolarHBondContact O-CB 3.34Å; G802-L806 VanDerWaalsContact O-CG 3.28Å; G802-L806 WeakPolarHBondContact O-CG 3.31Å; G802-L806 PolarHBondContact O-N 2.73Å; F803-L806 PolarHBondContact O-N 3.19Å; L806-C808 PolarHBondContact O-N 2.88Å; L806-I809 PolarHBondContact O-N 3.43Å; L806-F810 HydrophobicContact CB-CE2 4.27Å; L806-F810 HydrophobicContact CB-CZ 4.5Å; L806-F810 HydrophobicContact CD2-CE1 4.25Å; L806-F810 HydrophobicContact CD2-CZ 3.94Å; L806-F810 VanDerWaalsContact O-CB 3.32Å; L806-F810 WeakPolarHBondContact O-CB 3.43Å; L806-F810 WeakPolarHBondContact O-CD2 3.08Å; L806-F810 WeakPolarHBondContact O-CG 3.13Å; L806-F810 PolarHBondContact O-N 3.46Å |
| 807 | V | 96.3 | Very high | 94.7 | Very high | 25 Ų | 25 | 58 Ų | 58 | 15% | 0.152 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.4 | -47.3 | 175.4 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | A720 F803 T804 I809 F810 Y811 | A720-V807 HydrophobicContact CB-CG2 3.61Å; F803-V807 HydrophobicContact CD1-CG2 4.46Å; F803-V807 HydrophobicContact CD2-CG2 3.97Å; F803-V807 HydrophobicContact CE1-CG2 4.11Å; F803-V807 HydrophobicContact CE2-CG2 3.57Å; F803-V807 HydrophobicContact CG-CG2 4.41Å; F803-V807 HydrophobicContact CZ-CG2 3.65Å; F803-V807 WeakPolarHBondContact O-CB 3.18Å; F803-V807 VanDerWaalsContact O-CG2 3.25Å; F803-V807 WeakPolarHBondContact O-CG2 3.5Å; F803-V807 PolarHBondContact O-N 3.02Å; T804-V807 PolarHBondContact O-N 3.36Å; V807-I809 PolarHBondContact O-N 3.44Å; V807-F810 PolarHBondContact O-N 3.45Å; V807-Y811 HydrophobicContact CG1-CD2 3.57Å; V807-Y811 HydrophobicContact CG1-CE2 3.75Å; V807-Y811 WeakPolarHBondContact O-CB 3.42Å; V807-Y811 WeakPolarHBondContact O-CD2 3.03Å; V807-Y811 PolarHBondContact O-N 3.49Å |
| 808 | C | 96.3 | Very high | 94.5 | Very high | 74 Ų | 74 | 57.2 Ų | 57.2 | 50% | 0.5 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 177.4 | -73.7 | 0 | 0 | 0 | 0 | 112.3 | T804 V805 L806 S812 | T804-C808 WeakPolarHBondContact O-CB 3.28Å; T804-C808 PolarHBondContact O-N 3.03Å; T804-C808 PolarHBondContact O-SG 3.38Å; V805-C808 PolarHBondContact O-N 3.24Å; L806-C808 PolarHBondContact O-N 2.88Å; C808-S812 VanDerWaalsContact O-CB 3.24Å; C808-S812 WeakPolarHBondContact O-CB 3.45Å; C808-S812 PolarHBondContact O-N 2.91Å; C808-S812 PolarHBondContact O-OG 3.32Å |
| 809 | I | 94.8 | Very high | 94.4 | Very high | 79 Ų | 79 | 64.3 Ų | 64.3 | 41% | 0.405 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.8 | -51.6 | 179 | -70.1 | 168.8 | 0 | 0 | 0 | 110.3 | V805 L806 V807 Y811 S812 I813 | V805-I809 HydrophobicContact CG1-CD1 3.66Å; V805-I809 HydrophobicContact CG1-CG1 4.4Å; V805-I809 VanDerWaalsContact O-CG1 3.28Å; V805-I809 WeakPolarHBondContact O-CG1 3.45Å; V805-I809 PolarHBondContact O-N 3.12Å; L806-I809 PolarHBondContact O-N 3.43Å; V807-I809 PolarHBondContact O-N 3.44Å; I809-Y811 PolarHBondContact O-N 3.37Å; I809-S812 PolarHBondContact O-N 2.91Å; I809-I813 HydrophobicContact CG2-CD1 3.74Å; I809-I813 HydrophobicContact CG2-CG1 4.46Å; I809-I813 WeakPolarHBondContact O-CG1 3.32Å; I809-I813 PolarHBondContact O-N 3.05Å |
| 810 | F | 95.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 0% | 0.004 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.8 | -46.7 | -177.4 | -65.8 | -14.5 | 0 | 0 | 0 | 111.4 | I377 V716 A720 L723 L806 V807 S812 I813 T814 | I377-F810 HydrophobicContact CD1-CB 3.91Å; I377-F810 HydrophobicContact CD1-CD1 3.6Å; I377-F810 HydrophobicContact CD1-CD2 3.18Å; I377-F810 HydrophobicContact CD1-CE1 3.8Å; I377-F810 HydrophobicContact CD1-CE2 3.38Å; I377-F810 HydrophobicContact CD1-CG 3.29Å; I377-F810 HydrophobicContact CD1-CZ 3.69Å; I377-F810 HydrophobicContact CG2-CB 4.29Å; V716-F810 HydrophobicContact CG1-CB 3.73Å; A720-F810 HydrophobicContact CB-CD2 4.06Å; A720-F810 HydrophobicContact CB-CE2 4.08Å; L723-F810 HydrophobicContact CD1-CE2 4.48Å; L723-F810 HydrophobicContact CD1-CZ 4.2Å; L806-F810 HydrophobicContact CB-CE2 4.27Å; L806-F810 HydrophobicContact CB-CZ 4.5Å; L806-F810 HydrophobicContact CD2-CE1 4.25Å; L806-F810 HydrophobicContact CD2-CZ 3.94Å; L806-F810 VanDerWaalsContact O-CB 3.32Å; L806-F810 WeakPolarHBondContact O-CB 3.43Å; L806-F810 WeakPolarHBondContact O-CD2 3.08Å; L806-F810 WeakPolarHBondContact O-CG 3.13Å; L806-F810 PolarHBondContact O-N 3.46Å; V807-F810 PolarHBondContact O-N 3.45Å; F810-S812 VanDerWaalsContact C-N 3.35Å; F810-S812 PolarHBondContact O-N 3.31Å; F810-I813 PolarHBondContact O-N 2.87Å; F810-T814 VanDerWaalsContact O-CG2 3.23Å; F810-T814 WeakPolarHBondContact O-CG2 3.45Å; F810-T814 PolarHBondContact O-N 2.54Å |
| 811 | Y | 95.5 | Very high | 93.9 | Very high | 73 Ų | 73 | 64.5 Ų | 64.5 | 29% | 0.286 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 175.2 | -84.1 | -58.2 | 0 | 0 | 0 | 113.1 | Q713 V716 L717 V807 I809 I813 T814 F815 | Q713-Y811 VanDerWaalsContact OE1-CE1 3.26Å; Q713-Y811 PolarHBondContact OE1-OH 3Å; V716-Y811 HydrophobicContact CB-CE1 4.48Å; V716-Y811 HydrophobicContact CG1-CD1 4.21Å; V716-Y811 HydrophobicContact CG1-CD2 4.08Å; V716-Y811 HydrophobicContact CG1-CE1 4.01Å; V716-Y811 HydrophobicContact CG1-CE2 3.91Å; V716-Y811 HydrophobicContact CG1-CG 4.23Å; L717-Y811 HydrophobicContact CD1-CE2 3.83Å; V807-Y811 HydrophobicContact CG1-CD2 3.57Å; V807-Y811 HydrophobicContact CG1-CE2 3.75Å; V807-Y811 WeakPolarHBondContact O-CB 3.42Å; V807-Y811 WeakPolarHBondContact O-CD2 3.03Å; V807-Y811 PolarHBondContact O-N 3.49Å; I809-Y811 PolarHBondContact O-N 3.37Å; Y811-I813 PolarHBondContact O-N 2.94Å; Y811-T814 WeakPolarHBondContact CA-OG1 3.18Å; Y811-T814 PolarHBondContact O-N 3.23Å; Y811-T814 PolarHBondContact O-OG1 3.07Å; Y811-F815 VanDerWaalsContact O-CB 3.31Å; Y811-F815 WeakPolarHBondContact O-CB 3.45Å; Y811-F815 PolarHBondContact O-N 2.05Å |
| 812 | S | 94.8 | Very high | 93.5 | Very high | 70 Ų | 70 | 60.8 Ų | 60.8 | 49% | 0.49 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 175.7 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | C808 I809 F810 F815 V816 | C808-S812 VanDerWaalsContact O-CB 3.24Å; C808-S812 WeakPolarHBondContact O-CB 3.45Å; C808-S812 PolarHBondContact O-N 2.91Å; C808-S812 PolarHBondContact O-OG 3.32Å; I809-S812 PolarHBondContact O-N 2.91Å; F810-S812 VanDerWaalsContact C-N 3.35Å; F810-S812 PolarHBondContact O-N 3.31Å; S812-F815 PolarHBondContact O-N 3.48Å; S812-V816 VanDerWaalsContact O-CG2 3.29Å; S812-V816 WeakPolarHBondContact O-CG2 3.37Å; S812-V816 PolarHBondContact O-N 3.29Å |
| 813 | I | 92.2 | Very high | 93.3 | Very high | 52 Ų | 52 | 63.3 Ų | 63.3 | 27% | 0.267 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.5 | -50 | 176 | -68.6 | 167.8 | 0 | 0 | 0 | 110.3 | V378 I809 F810 Y811 F815 V816 I817 | V378-I813 HydrophobicContact CG2-CG2 3.6Å; I809-I813 HydrophobicContact CG2-CD1 3.74Å; I809-I813 HydrophobicContact CG2-CG1 4.46Å; I809-I813 WeakPolarHBondContact O-CG1 3.32Å; I809-I813 PolarHBondContact O-N 3.05Å; F810-I813 PolarHBondContact O-N 2.87Å; Y811-I813 PolarHBondContact O-N 2.94Å; I813-F815 VanDerWaalsContact C-N 3.33Å; I813-F815 PolarHBondContact O-N 3.25Å; I813-V816 PolarHBondContact O-N 2.91Å; I813-I817 HydrophobicContact CG2-CD1 3.68Å; I813-I817 HydrophobicContact CG2-CG1 4.5Å; I813-I817 WeakPolarHBondContact O-CG1 3.39Å; I813-I817 PolarHBondContact O-N 2.84Å |
| 814 | T | 92.8 | Very high | 92.8 | Very high | 13 Ų | 13 | 66.5 Ų | 66.5 | 8% | 0.08 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 179.6 | 66.4 | 0 | 0 | 0 | 0 | 112 | I377 V381 V716 F810 Y811 S818 | I377-T814 HydrophobicContact CG2-CG2 3.67Å; V381-T814 HydrophobicContact CG2-CG2 3.57Å; V716-T814 HydrophobicContact CG2-CG2 3.94Å; F810-T814 VanDerWaalsContact O-CG2 3.23Å; F810-T814 WeakPolarHBondContact O-CG2 3.45Å; F810-T814 PolarHBondContact O-N 2.54Å; Y811-T814 WeakPolarHBondContact CA-OG1 3.18Å; Y811-T814 PolarHBondContact O-N 3.23Å; Y811-T814 PolarHBondContact O-OG1 3.07Å; T814-S818 WeakPolarHBondContact O-CB 3.27Å; T814-S818 PolarHBondContact O-N 3.49Å; T814-S818 PolarHBondContact O-OG 2.99Å |
| 815 | F | 93.6 | Very high | 92.3 | Very high | 140 Ų | 140 | 63.2 Ų | 63.2 | 61% | 0.614 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.7 | -50.3 | 177.8 | -179.3 | -100.6 | 0 | 0 | 0 | 111.9 | Y811 S812 I813 I817 S818 R819 | Y811-F815 VanDerWaalsContact O-CB 3.31Å; Y811-F815 WeakPolarHBondContact O-CB 3.45Å; Y811-F815 PolarHBondContact O-N 2.05Å; S812-F815 PolarHBondContact O-N 3.48Å; I813-F815 VanDerWaalsContact C-N 3.33Å; I813-F815 PolarHBondContact O-N 3.25Å; F815-I817 PolarHBondContact O-N 2.88Å; F815-S818 PolarHBondContact O-N 3.07Å; F815-S818 PolarHBondContact O-OG 3.36Å; F815-R819 WeakPolarHBondContact O-CB 3.46Å; F815-R819 PolarHBondContact O-N 2.9Å |
| 816 | V | 93.9 | Very high | 91.6 | Very high | 94 Ų | 94 | 63.8 Ų | 63.8 | 57% | 0.57 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58.9 | -49.6 | 179.7 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | S812 I813 S818 R819 A820 | S812-V816 VanDerWaalsContact O-CG2 3.29Å; S812-V816 WeakPolarHBondContact O-CG2 3.37Å; S812-V816 PolarHBondContact O-N 3.29Å; I813-V816 PolarHBondContact O-N 2.91Å; V816-S818 VanDerWaalsContact C-N 3.35Å; V816-S818 PolarHBondContact O-N 2.98Å; V816-R819 PolarHBondContact O-N 2.89Å; V816-A820 WeakPolarHBondContact O-CB 3.34Å; V816-A820 PolarHBondContact O-N 3.44Å |
| 817 | I | 91.2 | Very high | 91 | Very high | 29 Ų | 29 | 66.6 Ų | 66.6 | 15% | 0.149 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 179.6 | -63.4 | 169.7 | 0 | 0 | 0 | 110.5 | V378 V381 I382 I813 F815 R819 A820 I821 | V378-I817 HydrophobicContact CB-CD1 4.22Å; V378-I817 HydrophobicContact CG1-CD1 3.88Å; V378-I817 HydrophobicContact CG2-CD1 4.03Å; V381-I817 HydrophobicContact CB-CG2 4.27Å; V381-I817 HydrophobicContact CG1-CB 3.92Å; V381-I817 HydrophobicContact CG1-CG2 3.61Å; I382-I817 HydrophobicContact CG1-CG2 4.02Å; I813-I817 HydrophobicContact CG2-CD1 3.68Å; I813-I817 HydrophobicContact CG2-CG1 4.5Å; I813-I817 WeakPolarHBondContact O-CG1 3.39Å; I813-I817 PolarHBondContact O-N 2.84Å; F815-I817 PolarHBondContact O-N 2.88Å; I817-R819 PolarHBondContact O-N 3.25Å; I817-A820 PolarHBondContact O-N 2.75Å; I817-I821 HydrophobicContact CG2-CD1 3.94Å; I817-I821 PolarHBondContact O-N 3.35Å |
| 818 | S | 91.2 | Very high | 90.4 | Very high | 41 Ų | 41 | 65.5 Ų | 65.5 | 29% | 0.287 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.3 | -31.3 | -177.9 | 77.1 | 0 | 0 | 0 | 0 | 113.1 | K385 T814 F815 V816 | K385-S818 VanDerWaalsContact CE-O 3.32Å; K385-S818 WeakPolarHBondContact CE-O 3.49Å; K385-S818 PolarHBondContact NZ-O 3.47Å; T814-S818 WeakPolarHBondContact O-CB 3.27Å; T814-S818 PolarHBondContact O-N 3.49Å; T814-S818 PolarHBondContact O-OG 2.99Å; F815-S818 PolarHBondContact O-N 3.07Å; F815-S818 PolarHBondContact O-OG 3.36Å; V816-S818 VanDerWaalsContact C-N 3.35Å; V816-S818 PolarHBondContact O-N 2.98Å |
| 819 | R | 91.7 | Very high | 89.8 | Confident | 190 Ų | 190 | 66.4 Ų | 66.4 | 72% | 0.717 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -83.5 | -31.1 | 178.4 | -173.7 | 61.4 | 178.5 | 83.1 | -1.4 | 112.8 | F815 V816 I817 | F815-R819 WeakPolarHBondContact O-CB 3.46Å; F815-R819 PolarHBondContact O-N 2.9Å; V816-R819 PolarHBondContact O-N 2.89Å; I817-R819 PolarHBondContact O-N 3.25Å |
| 820 | A | 90.8 | Very high | 89.3 | Confident | 81 Ų | 81 | 67.2 Ų | 67.2 | 67% | 0.669 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -70.9 | -38.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V816 I817 | V816-A820 WeakPolarHBondContact O-CB 3.34Å; V816-A820 PolarHBondContact O-N 3.44Å; I817-A820 PolarHBondContact O-N 2.75Å |
| 821 | I | 88.7 | Confident | 88.8 | Confident | 35 Ų | 35 | 69.1 Ų | 69.1 | 18% | 0.179 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -97.6 | 115.8 | -176.5 | -54.7 | 170.8 | 0 | 0 | 0 | 110.5 | K385 F386 I817 | K385-I821 HydrophobicContact CB-CB 4.14Å; K385-I821 HydrophobicContact CB-CD1 4.31Å; K385-I821 HydrophobicContact CB-CG2 3.84Å; K385-I821 HydrophobicContact CD-CB 4.4Å; K385-I821 HydrophobicContact CG-CB 4.31Å; K385-I821 HydrophobicContact CG-CG2 4.49Å; F386-I821 HydrophobicContact CD1-CD1 4.47Å; F386-I821 HydrophobicContact CE1-CD1 3.98Å; F386-I821 HydrophobicContact CE1-CG2 4.45Å; I817-I821 HydrophobicContact CG2-CD1 3.94Å; I817-I821 PolarHBondContact O-N 3.35Å |
| 822 | S | 88.9 | Confident | 88.3 | Confident | 66 Ų | 66 | 66.9 Ų | 66.9 | 46% | 0.462 | 36% | 0.357 | S | S | . | . | trans | -72.7 | 137.7 | 173.1 | -179.3 | 0 | 0 | 0 | 0 | 112.1 | R389 R824 | R389-S822 WeakPolarHBondContact CD-O 3.2Å; R389-S822 WeakPolarHBondContact CG-O 3.29Å; R389-S822 PolarHBondContact NH1-O 2.84Å; S822-R824 VanDerWaalsContact C-N 3.29Å; S822-R824 PolarHBondContact O-N 2.88Å; S822-R824 PolarHBondContact OG-O 3.14Å | ||
| 823 | D | 88.3 | Confident | 88 | Confident | 63 Ų | 63 | 67.1 Ų | 67.1 | 34% | 0.337 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -63 | -31.9 | -178.2 | -69.8 | 0.4 | 0 | 0 | 0 | 112.7 | K385 K388 R389 | K385-D823 WeakPolarHBondContact CD-OD1 3.48Å; K385-D823 IonicContact NZ-OD1 3.55Å; K385-D823 PolarHBondContact NZ-OD1 2.58Å; K388-D823 CarbonylContact C-O 3.59Å; K388-D823 HydrophobicContact CB-CB 4.46Å; K388-D823 HydrophobicContact CD-CB 4.41Å; K388-D823 IonicContact NZ-OD2 2.91Å; R389-D823 VanDerWaalsContact CA-O 3.31Å; R389-D823 WeakPolarHBondContact CA-O 3.5Å; R389-D823 WeakPolarHBondContact CG-O 3.28Å; R389-D823 PolarHBondContact N-O 3.05Å |
| 824 | R | 85.3 | Confident | 87.6 | Confident | 121 Ų | 121 | 69.4 Ų | 69.4 | 46% | 0.457 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -108.2 | 128.5 | 174.4 | -66 | -174.4 | -176.8 | -173.6 | -0.2 | 110.2 | A392 S822 Q829 | A392-R824 HydrophobicContact CB-CG 4.06Å; S822-R824 VanDerWaalsContact C-N 3.29Å; S822-R824 PolarHBondContact O-N 2.88Å; S822-R824 PolarHBondContact OG-O 3.14Å; R824-Q829 HydrophobicContact CB-CG 4.19Å; R824-Q829 PolarHBondContact O-NE2 2.85Å |
| 825 | P | 85.8 | Confident | 87.3 | Confident | 4 Ų | 4 | 69.8 Ų | 69.8 | 3% | 0.026 | 37% | 0.366 | C | S | . | . | trans | -66 | 145.5 | 175 | 29.8 | -34.8 | 0 | 0 | 0 | 111 | W827 V828 Q829 | P825-W827 VanDerWaalsContact C-N 3.29Å; P825-W827 PolarHBondContact O-N 3.13Å; P825-V828 HydrophobicContact CG-CB 3.9Å; P825-V828 HydrophobicContact CG-CG2 3.5Å; P825-V828 VanDerWaalsContact CG-CG2 3.5Å; P825-V828 PolarHBondContact O-N 3.06Å; P825-V828 VanDerWaalsContact O-N 3.13Å; P825-Q829 PolarHBondContact O-N 3.13Å | ||
| 826 | A | 81.9 | Confident | 87 | Confident | 69 Ų | 69 | 69.4 Ų | 69.4 | 57% | 0.57 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -57.3 | -40.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V828 Q829 T830 | A826-V828 VanDerWaalsContact C-N 3.32Å; A826-V828 PolarHBondContact O-N 3.29Å; A826-Q829 WeakPolarHBondContact O-CB 3.39Å; A826-Q829 PolarHBondContact O-N 3.05Å; A826-Q829 VanDerWaalsContact O-N 3.13Å; A826-T830 PolarHBondContact O-N 3.2Å; A826-T830 PolarHBondContact O-OG1 2.95Å |
| 827 | W | 81.5 | Confident | 86.7 | Confident | 79 Ų | 79 | 71.7 Ų | 71.7 | 30% | 0.299 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.6 | -34.9 | 179.4 | 71.1 | -99.5 | 0 | 0 | 0 | 113.2 | S393 P825 T830 R831 | S393-W827 WeakPolarHBondContact OG-CH2 3.26Å; S393-W827 WeakPolarHBondContact OG-CZ2 3.42Å; P825-W827 VanDerWaalsContact C-N 3.29Å; P825-W827 PolarHBondContact O-N 3.13Å; W827-T830 PolarHBondContact O-N 3.09Å; W827-R831 HydrophobicContact CE3-CG 4.35Å; W827-R831 WeakPolarHBondContact O-CB 3.42Å; W827-R831 WeakPolarHBondContact O-CG 3.44Å; W827-R831 PolarHBondContact O-N 3.24Å |
| 828 | V | 83.4 | Confident | 86.5 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.012 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.7 | -42 | 175.2 | 169 | 0 | 0 | 0 | 0 | 110 | F396 P825 A826 T830 R831 I832 | F396-V828 HydrophobicContact CB-CG1 4.04Å; F396-V828 HydrophobicContact CG-CG1 4.27Å; P825-V828 HydrophobicContact CG-CB 3.9Å; P825-V828 HydrophobicContact CG-CG2 3.5Å; P825-V828 VanDerWaalsContact CG-CG2 3.5Å; P825-V828 PolarHBondContact O-N 3.06Å; P825-V828 VanDerWaalsContact O-N 3.13Å; A826-V828 VanDerWaalsContact C-N 3.32Å; A826-V828 PolarHBondContact O-N 3.29Å; V828-T830 PolarHBondContact O-N 3.31Å; V828-R831 PolarHBondContact O-N 3.21Å; V828-I832 HydrophobicContact CG1-CD1 3.77Å; V828-I832 HydrophobicContact CG1-CG1 4.32Å; V828-I832 VanDerWaalsContact O-CG1 3.29Å; V828-I832 WeakPolarHBondContact O-CG1 3.28Å; V828-I832 PolarHBondContact O-N 3.28Å |
| 829 | Q | 85.4 | Confident | 86.3 | Confident | 92 Ų | 92 | 68.9 Ų | 68.9 | 43% | 0.43 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 176.8 | -59.5 | -176.9 | 12.9 | 0 | 0 | 111 | R824 P825 A826 R831 I832 S833 | R824-Q829 HydrophobicContact CB-CG 4.19Å; R824-Q829 PolarHBondContact O-NE2 2.85Å; P825-Q829 PolarHBondContact O-N 3.13Å; A826-Q829 WeakPolarHBondContact O-CB 3.39Å; A826-Q829 PolarHBondContact O-N 3.05Å; A826-Q829 VanDerWaalsContact O-N 3.13Å; Q829-R831 VanDerWaalsContact C-N 3.35Å; Q829-R831 PolarHBondContact O-N 3.39Å; Q829-I832 PolarHBondContact O-N 3.24Å; Q829-S833 PolarHBondContact O-N 3.41Å; Q829-S833 VanDerWaalsContact O-N 3.08Å; Q829-S833 PolarHBondContact O-OG 3.1Å |
| 830 | T | 83.2 | Confident | 86 | Confident | 96 Ų | 96 | 61.3 Ų | 61.3 | 59% | 0.589 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -59.7 | -43.3 | 175.3 | -55 | 0 | 0 | 0 | 0 | 111.8 | A826 W827 V828 S833 R834 | A826-T830 PolarHBondContact O-N 3.2Å; A826-T830 PolarHBondContact O-OG1 2.95Å; W827-T830 PolarHBondContact O-N 3.09Å; V828-T830 PolarHBondContact O-N 3.31Å; T830-S833 PolarHBondContact O-N 3.25Å; T830-R834 WeakPolarHBondContact O-CB 3.47Å; T830-R834 PolarHBondContact O-N 3.08Å |
| 831 | R | 83.8 | Confident | 85.8 | Confident | 42 Ų | 42 | 63 Ų | 63 | 16% | 0.158 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.5 | -37.3 | 178.7 | -76.2 | -170.1 | -176.9 | -157.3 | -9.7 | 113.5 | H147 D150 F396 W827 V828 Q829 S833 R834 T835 | H147-R831 PolarHBondContact ND1-NH2 2.66Å; D150-R831 IonicContact OD2-CZ 2.63Å; D150-R831 IonicContact OD2-NH1 3.86Å; D150-R831 IonicContact OD2-NH2 2.87Å; D150-R831 PolarHBondContact OD2-NH2 3.19Å; F396-R831 HydrophobicContact CE1-CB 3.63Å; F396-R831 HydrophobicContact CE1-CG 4.43Å; F396-R831 HydrophobicContact CZ-CB 3.62Å; W827-R831 HydrophobicContact CE3-CG 4.35Å; W827-R831 WeakPolarHBondContact O-CB 3.42Å; W827-R831 WeakPolarHBondContact O-CG 3.44Å; W827-R831 PolarHBondContact O-N 3.24Å; V828-R831 PolarHBondContact O-N 3.21Å; Q829-R831 VanDerWaalsContact C-N 3.35Å; Q829-R831 PolarHBondContact O-N 3.39Å; R831-S833 VanDerWaalsContact C-N 3.33Å; R831-R834 PolarHBondContact O-N 2.69Å; R831-T835 WeakPolarHBondContact O-CB 3.45Å; R831-T835 PolarHBondContact O-N 2.75Å; R831-T835 PolarHBondContact O-OG1 3.43Å |
| 832 | I | 85.6 | Confident | 85.4 | Confident | 25 Ų | 25 | 61.7 Ų | 61.7 | 13% | 0.128 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.7 | -47.9 | 172.8 | -70.7 | 166.3 | 0 | 0 | 0 | 109.6 | F396 V828 Q829 T835 K836 | F396-I832 HydrophobicContact CD2-CD1 4.2Å; F396-I832 HydrophobicContact CD2-CG1 3.4Å; F396-I832 HydrophobicContact CE2-CB 4.34Å; F396-I832 HydrophobicContact CE2-CG1 3.52Å; F396-I832 HydrophobicContact CG-CG1 4.32Å; V828-I832 HydrophobicContact CG1-CD1 3.77Å; V828-I832 HydrophobicContact CG1-CG1 4.32Å; V828-I832 VanDerWaalsContact O-CG1 3.29Å; V828-I832 WeakPolarHBondContact O-CG1 3.28Å; V828-I832 PolarHBondContact O-N 3.28Å; Q829-I832 PolarHBondContact O-N 3.24Å; I832-T835 PolarHBondContact O-N 2.81Å; I832-K836 WeakPolarHBondContact O-CG 3.31Å; I832-K836 PolarHBondContact O-N 3.13Å |
| 833 | S | 88.3 | Confident | 84.9 | Confident | 76 Ų | 76 | 59.1 Ų | 59.1 | 53% | 0.531 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 177 | -62.5 | 0 | 0 | 0 | 0 | 112 | Q829 T830 R831 T835 K836 Y837 | Q829-S833 PolarHBondContact O-N 3.41Å; Q829-S833 VanDerWaalsContact O-N 3.08Å; Q829-S833 PolarHBondContact O-OG 3.1Å; T830-S833 PolarHBondContact O-N 3.25Å; R831-S833 VanDerWaalsContact C-N 3.33Å; S833-T835 PolarHBondContact O-N 2.88Å; S833-K836 PolarHBondContact O-N 2.64Å; S833-Y837 PolarHBondContact O-N 3.23Å |
| 834 | R | 85.4 | Confident | 83.9 | Confident | 100 Ų | 100 | 65.3 Ų | 65.3 | 38% | 0.377 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 175.2 | -175.9 | 177.7 | 178 | 163.2 | 2 | 112 | F119 T830 R831 K836 Y837 L838 | F119-R834 PolarHBondContact O-NH2 3.04Å; T830-R834 WeakPolarHBondContact O-CB 3.47Å; T830-R834 PolarHBondContact O-N 3.08Å; R831-R834 PolarHBondContact O-N 2.69Å; R834-K836 VanDerWaalsContact C-N 3.34Å; R834-K836 PolarHBondContact O-N 3.06Å; R834-Y837 WeakPolarHBondContact O-CB 3.37Å; R834-Y837 PolarHBondContact O-N 2.94Å; R834-L838 HydrophobicContact CG-CD1 3.85Å; R834-L838 HydrophobicContact CG-CG 4.26Å; R834-L838 WeakPolarHBondContact O-CB 3.22Å; R834-L838 VanDerWaalsContact O-CG 3.3Å; R834-L838 WeakPolarHBondContact O-CG 2.95Å; R834-L838 PolarHBondContact O-N 3.38Å |
| 835 | T | 84.8 | Confident | 83.8 | Confident | 20 Ų | 20 | 62.6 Ų | 62.6 | 12% | 0.123 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63 | -42.3 | 179.4 | -55.3 | 0 | 0 | 0 | 0 | 110.9 | F155 W157 R831 I832 S833 L838 A839 | F155-T835 HydrophobicContact CB-CG2 4.37Å; F155-T835 HydrophobicContact CD2-CG2 3.71Å; F155-T835 HydrophobicContact CG-CG2 4.43Å; W157-T835 HydrophobicContact CE3-CG2 3.83Å; W157-T835 HydrophobicContact CZ3-CG2 4.04Å; R831-T835 WeakPolarHBondContact O-CB 3.45Å; R831-T835 PolarHBondContact O-N 2.75Å; R831-T835 PolarHBondContact O-OG1 3.43Å; I832-T835 PolarHBondContact O-N 2.81Å; S833-T835 PolarHBondContact O-N 2.88Å; T835-L838 PolarHBondContact O-N 3.1Å; T835-A839 VanDerWaalsContact O-CB 3.27Å; T835-A839 WeakPolarHBondContact O-CB 3.34Å; T835-A839 PolarHBondContact O-N 3.1Å |
| 836 | K | 88.3 | Confident | 83.7 | Confident | 133 Ų | 133 | 65.6 Ų | 65.6 | 58% | 0.578 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -62.9 | -42.2 | 173.8 | -70.2 | 177.7 | 179 | -177.8 | 0 | 112.2 | W157 I832 S833 R834 G840 | W157-K836 HydrophobicContact CH2-CB 4.49Å; W157-K836 HydrophobicContact CH2-CG 4.12Å; W157-K836 HydrophobicContact CZ3-CG 4.2Å; I832-K836 WeakPolarHBondContact O-CG 3.31Å; I832-K836 PolarHBondContact O-N 3.13Å; S833-K836 PolarHBondContact O-N 2.64Å; R834-K836 VanDerWaalsContact C-N 3.34Å; R834-K836 PolarHBondContact O-N 3.06Å; K836-G840 PolarHBondContact O-N 2.99Å |
| 837 | Y | 88.4 | Confident | 83.8 | Confident | 142 Ų | 142 | 65.4 Ų | 65.4 | 56% | 0.557 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.8 | -49.1 | 176.3 | 174.7 | -93.8 | 0 | 0 | 0 | 111.9 | S833 R834 G840 K841 | S833-Y837 PolarHBondContact O-N 3.23Å; R834-Y837 WeakPolarHBondContact O-CB 3.37Å; R834-Y837 PolarHBondContact O-N 2.94Å; Y837-G840 PolarHBondContact O-N 3.43Å; Y837-K841 HydrophobicContact CE1-CG 4.21Å; Y837-K841 PolarHBondContact O-N 2.85Å |
| 838 | L | 86.5 | Confident | 84 | Confident | 8 Ų | 8 | 64.6 Ų | 64.6 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.8 | -44 | 178.4 | -69.7 | 170 | 0 | 0 | 0 | 111.4 | L115 F119 F155 R834 T835 G840 K841 V842 | L115-L838 HydrophobicContact CD2-CD1 3.93Å; L115-L838 HydrophobicContact CD2-CD2 4.14Å; L115-L838 HydrophobicContact CD2-CG 4.46Å; F119-L838 HydrophobicContact CB-CD2 3.98Å; F119-L838 HydrophobicContact CD1-CD2 3.37Å; F119-L838 HydrophobicContact CD2-CD2 4.33Å; F119-L838 HydrophobicContact CE1-CD2 3.76Å; F119-L838 HydrophobicContact CG-CD2 3.68Å; F119-L838 HydrophobicContact CZ-CD2 4.35Å; F155-L838 HydrophobicContact CE1-CB 4.35Å; F155-L838 HydrophobicContact CZ-CB 4.44Å; R834-L838 HydrophobicContact CG-CD1 3.85Å; R834-L838 HydrophobicContact CG-CG 4.26Å; R834-L838 WeakPolarHBondContact O-CB 3.22Å; R834-L838 VanDerWaalsContact O-CG 3.3Å; R834-L838 WeakPolarHBondContact O-CG 2.95Å; R834-L838 PolarHBondContact O-N 3.38Å; T835-L838 PolarHBondContact O-N 3.1Å; L838-G840 VanDerWaalsContact C-N 3.28Å; L838-G840 PolarHBondContact O-N 3.47Å; L838-K841 PolarHBondContact O-N 2.85Å; L838-V842 WeakPolarHBondContact O-CB 3.34Å; L838-V842 WeakPolarHBondContact O-CG2 3.25Å; L838-V842 PolarHBondContact O-N 2.91Å |
| 839 | A | 85.8 | Confident | 84 | Confident | 2 Ų | 2 | 68.6 Ų | 68.6 | 2% | 0.017 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.8 | -40.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F155 W157 T835 K841 V842 L843 | F155-A839 HydrophobicContact CE2-CB 4.01Å; F155-A839 HydrophobicContact CZ-CB 4.48Å; W157-A839 HydrophobicContact CD2-CB 3.41Å; W157-A839 VanDerWaalsContact CD2-CB 3.41Å; W157-A839 HydrophobicContact CE3-CB 3.53Å; W157-A839 HydrophobicContact CG-CB 4.14Å; W157-A839 HydrophobicContact CH2-CB 3.5Å; W157-A839 VanDerWaalsContact CH2-CB 3.5Å; W157-A839 HydrophobicContact CZ2-CB 3.4Å; W157-A839 HydrophobicContact CZ3-CB 3.57Å; T835-A839 VanDerWaalsContact O-CB 3.27Å; T835-A839 WeakPolarHBondContact O-CB 3.34Å; T835-A839 PolarHBondContact O-N 3.1Å; A839-K841 PolarHBondContact O-N 3.43Å; A839-V842 PolarHBondContact O-N 3.33Å; A839-L843 HydrophobicContact CB-CD1 4.48Å; A839-L843 WeakPolarHBondContact O-CA 3.33Å; A839-L843 WeakPolarHBondContact O-CB 3.5Å; A839-L843 PolarHBondContact O-N 3.46Å |
| 840 | G | 86.7 | Confident | 83.9 | Confident | 31 Ų | 31 | 67 Ų | 67 | 32% | 0.32 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -72.5 | -8.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | K836 Y837 L838 | K836-G840 PolarHBondContact O-N 2.99Å; Y837-G840 PolarHBondContact O-N 3.43Å; L838-G840 VanDerWaalsContact C-N 3.28Å; L838-G840 PolarHBondContact O-N 3.47Å |
| 841 | K | 85.5 | Confident | 84 | Confident | 118 Ų | 118 | 64.9 Ų | 64.9 | 51% | 0.513 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -102.4 | -26.4 | 172.6 | -72.2 | -69.8 | -175.2 | -179.1 | 0 | 113 | F119 Y837 L838 A839 | F119-K841 HydrophobicContact CE1-CB 4.34Å; F119-K841 HydrophobicContact CZ-CB 3.85Å; Y837-K841 HydrophobicContact CE1-CG 4.21Å; Y837-K841 PolarHBondContact O-N 2.85Å; L838-K841 PolarHBondContact O-N 2.85Å; A839-K841 PolarHBondContact O-N 3.43Å |
| 842 | V | 80.8 | Confident | 84 | Confident | 7 Ų | 7 | 66.7 Ų | 66.7 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -100 | -28.8 | -175.3 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | V113 F119 F155 R166 L838 A839 | V113-V842 HydrophobicContact CG1-CG1 4.01Å; F119-V842 HydrophobicContact CD2-CG2 4.5Å; F119-V842 HydrophobicContact CE2-CG2 3.7Å; F119-V842 HydrophobicContact CZ-CG2 4.21Å; F155-V842 HydrophobicContact CE1-CG2 4.47Å; F155-V842 HydrophobicContact CZ-CB 4.41Å; R166-V842 WeakPolarHBondContact CD-O 3.36Å; R166-V842 PolarHBondContact NE-O 2.88Å; R166-V842 PolarHBondContact NH1-O 2.93Å; L838-V842 WeakPolarHBondContact O-CB 3.34Å; L838-V842 WeakPolarHBondContact O-CG2 3.25Å; L838-V842 PolarHBondContact O-N 2.91Å; A839-V842 PolarHBondContact O-N 3.33Å |
| 843 | L | 77.8 | Confident | 83.8 | Confident | 11 Ų | 11 | 70.2 Ų | 70.2 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | trans | -120.8 | -5.8 | -173.9 | -57.4 | 170.1 | 0 | 0 | 0 | 113.4 | W157 L160 H163 A839 | W157-L843 HydrophobicContact CB-CD1 4.35Å; W157-L843 HydrophobicContact CG-CD1 3.78Å; L160-L843 HydrophobicContact CD1-CD1 4.37Å; H163-L843 HydrophobicContact CB-CD2 3.56Å; H163-L843 PolarHBondContact NE2-O 3.39Å; H163-L843 VanDerWaalsContact NE2-O 3.1Å; A839-L843 HydrophobicContact CB-CD1 4.48Å; A839-L843 WeakPolarHBondContact O-CA 3.33Å; A839-L843 WeakPolarHBondContact O-CB 3.5Å; A839-L843 PolarHBondContact O-N 3.46Å | ||
| 844 | L | 68.1 | Low | 83.4 | Confident | 194 Ų | 194 | 69.6 Ų | 69.6 | 100% | 1.016 | 33% | 0.331 | S | S | * | . | trans | -119.1 | 0 | 169.2 | -60 | 176.1 | 0 | 0 | 0 | 107.3 |
Retrieved 844 of 844 residues in 647.3 ms
(Link to these results)