| 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 | 34.4 | Very low | 46.5 | Very low | 182 Ų | 182 | 113.1 Ų | 113.1 | 90% | 0.897 | 56% | 0.56 | S | S | * | * | 0 | -29.2 | 0 | -71.8 | -174.3 | -160.3 | 0 | 0 | 112.9 | Y3 L4 I5 | M1-Y3 PolarHBondContact O-N 2.79Å; M1-L4 PolarHBondContact O-N 3.28Å; M1-I5 HydrophobicContact CB-CD1 4.02Å; M1-I5 HydrophobicContact CB-CG1 4.47Å; M1-I5 PolarHBondContact O-N 3.41Å; M1-I5 VanDerWaalsContact O-N 3.15Å | |||
| 2 | A | 40.3 | Very low | 48 | Very low | 37 Ų | 37 | 111.2 Ų | 111.2 | 31% | 0.306 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -32.8 | -45.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 117 | I5 K6 E58 | A2-I5 PolarHBondContact O-N 3.43Å; A2-K6 WeakPolarHBondContact O-CB 3.46Å; A2-K6 PolarHBondContact O-N 2.9Å; A2-E58 WeakPolarHBondContact CB-OE2 3.35Å |
| 3 | Y | 41 | Very low | 49.6 | Very low | 198 Ų | 198 | 110.7 Ų | 110.7 | 78% | 0.776 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.2 | -31.3 | -179.2 | -126.7 | -84.9 | 0 | 0 | 0 | 114.3 | M1 L7 | M1-Y3 PolarHBondContact O-N 2.79Å; Y3-L7 HydrophobicContact CD1-CD1 4.18Å; Y3-L7 HydrophobicContact CE1-CD1 3.98Å |
| 4 | L | 42.6 | Very low | 51.4 | Low | 132 Ų | 132 | 107.7 Ų | 107.7 | 69% | 0.691 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -78.4 | -28.2 | 171.2 | -77.7 | 165 | 0 | 0 | 0 | 111.7 | M1 S8 | M1-L4 PolarHBondContact O-N 3.28Å; L4-S8 WeakPolarHBondContact O-CB 3.19Å; L4-S8 PolarHBondContact O-N 3Å; L4-S8 PolarHBondContact O-OG 2.99Å |
| 5 | I | 45.2 | Very low | 53 | Low | 52 Ų | 52 | 101.1 Ų | 101.1 | 27% | 0.267 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -74.6 | -42.7 | 176.7 | -66.7 | 174.4 | 0 | 0 | 0 | 111.1 | M1 A2 L7 F11 | M1-I5 HydrophobicContact CB-CD1 4.02Å; M1-I5 HydrophobicContact CB-CG1 4.47Å; M1-I5 PolarHBondContact O-N 3.41Å; M1-I5 VanDerWaalsContact O-N 3.15Å; A2-I5 PolarHBondContact O-N 3.43Å; I5-L7 VanDerWaalsContact C-N 3.3Å; I5-L7 PolarHBondContact O-N 3.34Å; I5-F11 HydrophobicContact CB-CD1 4.43Å; I5-F11 HydrophobicContact CB-CG 4.34Å; I5-F11 HydrophobicContact CD1-CD2 4.4Å; I5-F11 HydrophobicContact CD1-CE1 4.27Å; I5-F11 HydrophobicContact CD1-CE2 3.99Å; I5-F11 HydrophobicContact CD1-CZ 3.92Å; I5-F11 HydrophobicContact CG1-CD1 4.25Å; I5-F11 HydrophobicContact CG1-CD2 3.82Å; I5-F11 HydrophobicContact CG1-CE1 4.34Å; I5-F11 HydrophobicContact CG1-CE2 3.93Å; I5-F11 HydrophobicContact CG1-CG 3.98Å; I5-F11 HydrophobicContact CG1-CZ 4.18Å; I5-F11 HydrophobicContact CG2-CB 4.45Å; I5-F11 HydrophobicContact CG2-CD1 3.62Å; I5-F11 HydrophobicContact CG2-CE1 3.97Å; I5-F11 HydrophobicContact CG2-CG 4Å |
| 6 | K | 45.9 | Very low | 54.5 | Low | 157 Ų | 157 | 97.9 Ų | 97.9 | 68% | 0.683 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.7 | -18.6 | 179 | -81.4 | -170.3 | 171.2 | -175.7 | 0 | 114.6 | A2 | A2-K6 WeakPolarHBondContact O-CB 3.46Å; A2-K6 PolarHBondContact O-N 2.9Å |
| 7 | L | 45.2 | Very low | 56.1 | Low | 131 Ų | 131 | 94.6 Ų | 94.6 | 69% | 0.686 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -129.3 | 2.2 | -173.4 | -80.8 | 165.5 | 0 | 0 | 0 | 115.6 | Y3 I5 | Y3-L7 HydrophobicContact CD1-CD1 4.18Å; Y3-L7 HydrophobicContact CE1-CD1 3.98Å; I5-L7 VanDerWaalsContact C-N 3.3Å; I5-L7 PolarHBondContact O-N 3.34Å |
| 8 | S | 45.5 | Very low | 57.8 | Low | 38 Ų | 38 | 92.8 Ų | 92.8 | 27% | 0.266 | 47% | 0.474 | S | S | . | . | trans | -98.7 | 118.5 | 166.3 | 70 | 0 | 0 | 0 | 0 | 110.7 | L4 F10 F11 | L4-S8 WeakPolarHBondContact O-CB 3.19Å; L4-S8 PolarHBondContact O-N 3Å; L4-S8 PolarHBondContact O-OG 2.99Å; S8-F10 PolarHBondContact O-N 2.95Å; S8-F11 PolarHBondContact O-N 3.42Å; S8-F11 VanDerWaalsContact O-N 3.14Å | ||
| 9 | P | 54.5 | Low | 59.2 | Low | 96 Ų | 96 | 88.3 Ų | 88.3 | 62% | 0.623 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -53.2 | -23.8 | 165.7 | -26.8 | 35.4 | 0 | 0 | 0 | 112.4 | F11 L12 N13 | P9-F11 PolarHBondContact O-N 3.25Å; P9-L12 PolarHBondContact O-N 3.32Å; P9-N13 VanDerWaalsContact O-CB 3.26Å; P9-N13 WeakPolarHBondContact O-CB 3.28Å; P9-N13 PolarHBondContact O-N 2.85Å; P9-N13 PolarHBondContact O-ND2 3.45Å |
| 10 | F | 56.3 | Low | 60.5 | Low | 170 Ų | 170 | 91.3 Ų | 91.3 | 75% | 0.746 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -55.9 | -42.3 | 175.8 | -137.6 | -82.9 | 0 | 0 | 0 | 113.6 | S8 L14 | S8-F10 PolarHBondContact O-N 2.95Å; F10-L14 WeakPolarHBondContact O-CB 3.32Å; F10-L14 PolarHBondContact O-N 2.82Å |
| 11 | F | 61.1 | Low | 61.8 | Low | 51 Ų | 51 | 88.7 Ų | 88.7 | 22% | 0.224 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -75.5 | -38.4 | -178.1 | -153.5 | -88.2 | 0 | 0 | 0 | 112.2 | I5 S8 P9 N13 L14 V15 | I5-F11 HydrophobicContact CB-CD1 4.43Å; I5-F11 HydrophobicContact CB-CG 4.34Å; I5-F11 HydrophobicContact CD1-CD2 4.4Å; I5-F11 HydrophobicContact CD1-CE1 4.27Å; I5-F11 HydrophobicContact CD1-CE2 3.99Å; I5-F11 HydrophobicContact CD1-CZ 3.92Å; I5-F11 HydrophobicContact CG1-CD1 4.25Å; I5-F11 HydrophobicContact CG1-CD2 3.82Å; I5-F11 HydrophobicContact CG1-CE1 4.34Å; I5-F11 HydrophobicContact CG1-CE2 3.93Å; I5-F11 HydrophobicContact CG1-CG 3.98Å; I5-F11 HydrophobicContact CG1-CZ 4.18Å; I5-F11 HydrophobicContact CG2-CB 4.45Å; I5-F11 HydrophobicContact CG2-CD1 3.62Å; I5-F11 HydrophobicContact CG2-CE1 3.97Å; I5-F11 HydrophobicContact CG2-CG 4Å; S8-F11 PolarHBondContact O-N 3.42Å; S8-F11 VanDerWaalsContact O-N 3.14Å; P9-F11 PolarHBondContact O-N 3.25Å; F11-N13 VanDerWaalsContact C-N 3.34Å; F11-L14 PolarHBondContact O-N 2.78Å; F11-V15 HydrophobicContact CD1-CG2 4.15Å; F11-V15 HydrophobicContact CE1-CG2 4.06Å; F11-V15 PolarHBondContact O-N 3.16Å |
| 12 | L | 63.6 | Low | 64.2 | Low | 90 Ų | 90 | 80 Ų | 80 | 47% | 0.471 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 174.1 | -141.9 | 107.8 | 0 | 0 | 0 | 110.8 | P9 L14 V15 S16 L83 | P9-L12 PolarHBondContact O-N 3.32Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.47Å; L12-V15 PolarHBondContact O-N 3.4Å; L12-S16 WeakPolarHBondContact O-CB 3.36Å; L12-S16 PolarHBondContact O-N 3.06Å; L12-S16 PolarHBondContact O-OG 3.39Å; L12-L83 HydrophobicContact CD1-CD2 4.37Å |
| 13 | N | 68.8 | Low | 66.4 | Low | 105 Ų | 105 | 81 Ų | 81 | 56% | 0.561 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.5 | -37 | 173.7 | -72.8 | -12.6 | 0 | 0 | 0 | 112.2 | P9 F11 S17 | P9-N13 VanDerWaalsContact O-CB 3.26Å; P9-N13 WeakPolarHBondContact O-CB 3.28Å; P9-N13 PolarHBondContact O-N 2.85Å; P9-N13 PolarHBondContact O-ND2 3.45Å; F11-N13 VanDerWaalsContact C-N 3.34Å; N13-S17 WeakPolarHBondContact O-CB 3.4Å; N13-S17 PolarHBondContact O-N 3.02Å |
| 14 | L | 75 | Confident | 68.5 | Low | 69 Ų | 69 | 74.4 Ų | 74.4 | 36% | 0.361 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67 | -43.5 | 177.1 | -173.1 | 66 | 0 | 0 | 0 | 112 | F10 F11 L12 S17 K18 Y47 | F10-L14 WeakPolarHBondContact O-CB 3.32Å; F10-L14 PolarHBondContact O-N 2.82Å; F11-L14 PolarHBondContact O-N 2.78Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.47Å; L14-S17 PolarHBondContact O-N 2.94Å; L14-K18 WeakPolarHBondContact O-CG 3.46Å; L14-K18 PolarHBondContact O-N 3.26Å; L14-Y47 WeakPolarHBondContact CD2-OH 3.07Å |
| 15 | V | 75.1 | Confident | 70.5 | Confident | 8 Ų | 8 | 70.3 Ų | 70.3 | 5% | 0.048 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.2 | -47.8 | 176.1 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | F11 L12 S17 K18 V19 F48 L83 | F11-V15 HydrophobicContact CD1-CG2 4.15Å; F11-V15 HydrophobicContact CE1-CG2 4.06Å; F11-V15 PolarHBondContact O-N 3.16Å; L12-V15 PolarHBondContact O-N 3.4Å; V15-S17 VanDerWaalsContact C-N 3.31Å; V15-S17 PolarHBondContact O-N 3.36Å; V15-K18 PolarHBondContact O-N 3.16Å; V15-K18 VanDerWaalsContact O-N 3.15Å; V15-V19 PolarHBondContact O-N 3.01Å; V15-F48 HydrophobicContact CG1-CE1 4.27Å; V15-L83 HydrophobicContact CB-CD2 4.25Å; V15-L83 HydrophobicContact CG1-CB 4.36Å; V15-L83 HydrophobicContact CG1-CD2 4.2Å; V15-L83 HydrophobicContact CG2-CD1 4.42Å; V15-L83 HydrophobicContact CG2-CD2 4.09Å |
| 16 | S | 77.9 | Confident | 72.4 | Confident | 50 Ų | 50 | 71.2 Ų | 71.2 | 35% | 0.35 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.5 | -36.6 | 176.2 | -65.1 | 0 | 0 | 0 | 0 | 112.6 | L12 V19 R20 | L12-S16 WeakPolarHBondContact O-CB 3.36Å; L12-S16 PolarHBondContact O-N 3.06Å; L12-S16 PolarHBondContact O-OG 3.39Å; S16-V19 PolarHBondContact O-N 3.19Å; S16-R20 PolarHBondContact O-N 3.4Å |
| 17 | S | 82.2 | Confident | 74.1 | Confident | 42 Ų | 42 | 69.7 Ų | 69.7 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 171.8 | -175.7 | 0 | 0 | 0 | 0 | 111.1 | N13 L14 V15 V19 R20 N21 | N13-S17 WeakPolarHBondContact O-CB 3.4Å; N13-S17 PolarHBondContact O-N 3.02Å; L14-S17 PolarHBondContact O-N 2.94Å; V15-S17 VanDerWaalsContact C-N 3.31Å; V15-S17 PolarHBondContact O-N 3.36Å; S17-V19 PolarHBondContact O-N 2.67Å; S17-R20 CarbonylContact O-C 3.25Å; S17-R20 WeakPolarHBondContact O-CA 3.33Å; S17-R20 WeakPolarHBondContact O-CB 3.34Å; S17-R20 PolarHBondContact O-N 3.23Å; S17-N21 PolarHBondContact O-N 3.13Å; S17-N21 PolarHBondContact O-OD1 3.16Å |
| 18 | K | 85.2 | Confident | 75.7 | Confident | 63 Ų | 63 | 67 Ų | 67 | 27% | 0.274 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65 | -33.1 | 176.4 | -71.2 | -59.4 | -169.9 | 179.2 | 0 | 113.9 | L14 V15 L22 T44 Y47 F48 | L14-K18 WeakPolarHBondContact O-CG 3.46Å; L14-K18 PolarHBondContact O-N 3.26Å; V15-K18 PolarHBondContact O-N 3.16Å; V15-K18 VanDerWaalsContact O-N 3.15Å; K18-L22 PolarHBondContact O-N 2.68Å; K18-T44 HydrophobicContact CD-CG2 4.26Å; K18-Y47 HydrophobicContact CB-CE1 4.43Å; K18-Y47 HydrophobicContact CG-CD1 4.14Å; K18-Y47 HydrophobicContact CG-CE1 4Å; K18-F48 HydrophobicContact CB-CE1 4.47Å; K18-F48 HydrophobicContact CB-CE2 4.12Å; K18-F48 HydrophobicContact CB-CZ 3.67Å |
| 19 | V | 85.4 | Confident | 77.1 | Confident | 6 Ų | 6 | 65.7 Ų | 65.7 | 4% | 0.036 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.7 | -38.8 | 169.8 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | V15 S16 S17 L22 N23 F48 L88 A91 | V15-V19 PolarHBondContact O-N 3.01Å; S16-V19 PolarHBondContact O-N 3.19Å; S17-V19 PolarHBondContact O-N 2.67Å; V19-L22 WeakPolarHBondContact O-CB 3.49Å; V19-L22 PolarHBondContact O-N 3.04Å; V19-N23 PolarHBondContact O-N 3.49Å; V19-F48 HydrophobicContact CG2-CE1 4.1Å; V19-F48 HydrophobicContact CG2-CZ 3.75Å; V19-L88 HydrophobicContact CG2-CB 4.36Å; V19-A91 HydrophobicContact CG1-CB 4.38Å |
| 20 | R | 85.6 | Confident | 78.3 | Confident | 149 Ų | 149 | 64.3 Ų | 64.3 | 56% | 0.562 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63 | -43.2 | 173.8 | -156.6 | -175.7 | 72.8 | -149.4 | -3 | 111.8 | S16 S17 L22 N23 E24 | S16-R20 PolarHBondContact O-N 3.4Å; S17-R20 CarbonylContact O-C 3.25Å; S17-R20 WeakPolarHBondContact O-CA 3.33Å; S17-R20 WeakPolarHBondContact O-CB 3.34Å; S17-R20 PolarHBondContact O-N 3.23Å; R20-L22 VanDerWaalsContact C-N 3.25Å; R20-L22 PolarHBondContact O-N 3.13Å; R20-N23 CarbonylContact O-C 3.59Å; R20-N23 PolarHBondContact O-N 3.34Å; R20-E24 HydrophobicContact CG-CG 4.5Å; R20-E24 IonicContact CZ-OE1 3.15Å; R20-E24 IonicContact NE-OE1 2.78Å; R20-E24 PolarHBondContact NE-OE1 3.05Å; R20-E24 IonicContact NH2-OE1 2.73Å; R20-E24 PolarHBondContact NH2-OE1 2.89Å; R20-E24 VanDerWaalsContact NH2-OE1 3.17Å; R20-E24 WeakPolarHBondContact O-CG 3.47Å; R20-E24 PolarHBondContact O-N 2.7Å |
| 21 | N | 86.3 | Confident | 79.2 | Confident | 37 Ų | 37 | 60.1 Ų | 60.1 | 20% | 0.198 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -54.7 | -37.8 | 172.7 | -79.6 | 74 | 0 | 0 | 0 | 112.8 | S17 E24 Y25 | S17-N21 PolarHBondContact O-N 3.13Å; S17-N21 PolarHBondContact O-OD1 3.16Å; N21-E24 PolarHBondContact O-N 3.33Å; N21-Y25 WeakPolarHBondContact O-CD2 3.43Å; N21-Y25 VanDerWaalsContact O-CG 3.31Å; N21-Y25 PolarHBondContact O-N 3.2Å |
| 22 | L | 86.5 | Confident | 79.3 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 175.8 | -68.2 | -171.3 | 0 | 0 | 0 | 112.1 | K18 V19 R20 Y25 Y26 I41 T44 L45 F48 L88 A91 I95 | K18-L22 PolarHBondContact O-N 2.68Å; V19-L22 WeakPolarHBondContact O-CB 3.49Å; V19-L22 PolarHBondContact O-N 3.04Å; R20-L22 VanDerWaalsContact C-N 3.25Å; R20-L22 PolarHBondContact O-N 3.13Å; L22-Y25 HydrophobicContact CD2-CD2 4.19Å; L22-Y25 PolarHBondContact O-N 2.93Å; L22-Y26 PolarHBondContact O-N 3.18Å; L22-I41 HydrophobicContact CD2-CG2 4.36Å; L22-T44 HydrophobicContact CD2-CG2 3.46Å; L22-T44 VanDerWaalsContact CD2-CG2 3.46Å; L22-T44 HydrophobicContact CG-CG2 4Å; L22-L45 HydrophobicContact CD1-CD2 4.16Å; L22-F48 HydrophobicContact CD1-CD2 4.31Å; L22-F48 HydrophobicContact CD1-CE2 3.75Å; L22-F48 HydrophobicContact CG-CE2 4.28Å; L22-L88 HydrophobicContact CD1-CD1 3.81Å; L22-A91 HydrophobicContact CB-CB 3.95Å; L22-A91 HydrophobicContact CD1-CB 4.16Å; L22-I95 HydrophobicContact CB-CD1 4.03Å; L22-I95 HydrophobicContact CD1-CD1 3.85Å; L22-I95 HydrophobicContact CD2-CD1 3.75Å; L22-I95 HydrophobicContact CG-CD1 4.06Å |
| 23 | N | 86.4 | Confident | 79 | Confident | 56 Ų | 56 | 64 Ų | 64 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -71.7 | -30.2 | 174.2 | -71.5 | -34.4 | 0 | 0 | 0 | 112.8 | V19 R20 Y26 Q27 N94 | V19-N23 PolarHBondContact O-N 3.49Å; R20-N23 CarbonylContact O-C 3.59Å; R20-N23 PolarHBondContact O-N 3.34Å; N23-Y26 PolarHBondContact O-N 3.2Å; N23-Q27 PolarHBondContact O-N 3.19Å; N23-N94 PolarHBondContact OD1-ND2 3.3Å; N23-N94 VanDerWaalsContact OD1-ND2 3.15Å |
| 24 | E | 85.1 | Confident | 78.4 | Confident | 61 Ų | 61 | 67.9 Ų | 67.9 | 29% | 0.285 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 169.9 | -72.6 | 164.6 | -170.4 | 0 | 0 | 110.2 | R20 N21 Y26 Q27 H28 | R20-E24 HydrophobicContact CG-CG 4.5Å; R20-E24 IonicContact CZ-OE1 3.15Å; R20-E24 IonicContact NE-OE1 2.78Å; R20-E24 PolarHBondContact NE-OE1 3.05Å; R20-E24 IonicContact NH2-OE1 2.73Å; R20-E24 PolarHBondContact NH2-OE1 2.89Å; R20-E24 VanDerWaalsContact NH2-OE1 3.17Å; R20-E24 WeakPolarHBondContact O-CG 3.47Å; R20-E24 PolarHBondContact O-N 2.7Å; N21-E24 PolarHBondContact O-N 3.33Å; E24-Y26 VanDerWaalsContact C-N 3.35Å; E24-Y26 PolarHBondContact O-N 2.85Å; E24-Q27 PolarHBondContact O-N 3.07Å; E24-H28 PolarHBondContact O-CD2 2.97Å; E24-H28 PolarHBondContact O-N 2.85Å |
| 25 | Y | 83.8 | Confident | 77.7 | Confident | 45 Ų | 45 | 69 Ų | 69 | 18% | 0.176 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 172.3 | -65.7 | -43.5 | 0 | 0 | 0 | 112.3 | N21 L22 H28 V29 P36 I41 | N21-Y25 WeakPolarHBondContact O-CD2 3.43Å; N21-Y25 VanDerWaalsContact O-CG 3.31Å; N21-Y25 PolarHBondContact O-N 3.2Å; L22-Y25 HydrophobicContact CD2-CD2 4.19Å; L22-Y25 PolarHBondContact O-N 2.93Å; Y25-H28 PolarHBondContact O-N 2.89Å; Y25-V29 WeakPolarHBondContact O-CG2 3.12Å; Y25-V29 PolarHBondContact O-N 3.31Å; Y25-P36 HydrophobicContact CD1-CB 3.94Å; Y25-P36 HydrophobicContact CD1-CG 3.91Å; Y25-P36 HydrophobicContact CE1-CB 4.26Å; Y25-P36 HydrophobicContact CG-CG 4.44Å; Y25-I41 HydrophobicContact CD2-CG1 3.9Å; Y25-I41 HydrophobicContact CE2-CG1 4.42Å; Y25-I41 HydrophobicContact CG-CG1 4.15Å |
| 26 | Y | 84.3 | Confident | 77.3 | Confident | 71 Ų | 71 | 69.6 Ų | 69.6 | 28% | 0.278 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 172.8 | 175.3 | -100.4 | 0 | 0 | 0 | 112.1 | L22 N23 E24 V29 T30 N94 I98 | L22-Y26 PolarHBondContact O-N 3.18Å; N23-Y26 PolarHBondContact O-N 3.2Å; E24-Y26 VanDerWaalsContact C-N 3.35Å; E24-Y26 PolarHBondContact O-N 2.85Å; Y26-V29 PolarHBondContact O-N 3.36Å; Y26-T30 HydrophobicContact CD2-CG2 4.21Å; Y26-T30 HydrophobicContact CE1-CG2 4.27Å; Y26-T30 HydrophobicContact CE2-CG2 3.82Å; Y26-T30 WeakPolarHBondContact O-CB 3.44Å; Y26-T30 WeakPolarHBondContact O-CG2 3.39Å; Y26-T30 PolarHBondContact O-N 2.95Å; Y26-T30 PolarHBondContact O-OG1 3.33Å; Y26-N94 HydrophobicContact CD1-CB 4.43Å; Y26-N94 HydrophobicContact CD2-CB 3.64Å; Y26-N94 WeakPolarHBondContact CD2-O 3.38Å; Y26-N94 HydrophobicContact CE2-CB 4.02Å; Y26-N94 HydrophobicContact CG-CB 3.85Å; Y26-I98 HydrophobicContact CD2-CG2 3.57Å; Y26-I98 HydrophobicContact CE2-CG2 3.76Å |
| 27 | Q | 82.3 | Confident | 77.1 | Confident | 126 Ų | 126 | 69 Ų | 69 | 59% | 0.589 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.9 | -38.6 | 178.1 | -75.8 | -163.3 | -11.7 | 0 | 0 | 112.7 | N23 E24 T30 T31 | N23-Q27 PolarHBondContact O-N 3.19Å; E24-Q27 PolarHBondContact O-N 3.07Å; Q27-T30 WeakPolarHBondContact CA-OG1 3.39Å; Q27-T30 PolarHBondContact O-N 3.1Å; Q27-T30 PolarHBondContact O-OG1 3.39Å; Q27-T31 VanDerWaalsContact O-CB 3.28Å; Q27-T31 WeakPolarHBondContact O-CB 3.39Å; Q27-T31 VanDerWaalsContact O-CG2 3.31Å; Q27-T31 WeakPolarHBondContact O-CG2 3.14Å; Q27-T31 PolarHBondContact O-N 3.39Å; Q27-T31 PolarHBondContact O-OG1 3.21Å |
| 28 | H | 78.6 | Confident | 76.9 | Confident | 73 Ų | 73 | 67 Ų | 67 | 34% | 0.338 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 175.5 | -75.6 | -59.4 | 0 | 0 | 0 | 112 | E24 Y25 T30 S32 Q33 | E24-H28 PolarHBondContact O-CD2 2.97Å; E24-H28 PolarHBondContact O-N 2.85Å; Y25-H28 PolarHBondContact O-N 2.89Å; H28-T30 PolarHBondContact O-N 3.21Å; H28-S32 PolarHBondContact O-N 3.38Å; H28-Q33 PolarHBondContact ND1-OE1 3.47Å; H28-Q33 PolarHBondContact O-N 3.47Å; H28-Q33 VanDerWaalsContact O-O 3.09Å |
| 29 | V | 75.5 | Confident | 76.8 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 7% | 0.073 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 177.1 | 176.2 | 0 | 0 | 0 | 0 | 111.9 | Y25 Y26 P36 I98 L101 | Y25-V29 WeakPolarHBondContact O-CG2 3.12Å; Y25-V29 PolarHBondContact O-N 3.31Å; Y26-V29 PolarHBondContact O-N 3.36Å; V29-P36 HydrophobicContact CG2-CG 3.93Å; V29-I98 HydrophobicContact CB-CD1 4.11Å; V29-I98 HydrophobicContact CB-CG2 4.38Å; V29-I98 HydrophobicContact CG1-CB 3.96Å; V29-I98 HydrophobicContact CG1-CD1 4.38Å; V29-I98 HydrophobicContact CG1-CG2 4Å; V29-I98 HydrophobicContact CG2-CD1 4.01Å; V29-L101 HydrophobicContact CG1-CB 3.85Å; V29-L101 HydrophobicContact CG1-CD1 3.75Å; V29-L101 HydrophobicContact CG1-CG 4.47Å |
| 30 | T | 79.6 | Confident | 76.6 | Confident | 66 Ų | 66 | 71.5 Ų | 71.5 | 41% | 0.405 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -83.3 | -23.7 | -178.6 | 51.6 | 0 | 0 | 0 | 0 | 114.7 | Y26 Q27 H28 S32 I98 | Y26-T30 HydrophobicContact CD2-CG2 4.21Å; Y26-T30 HydrophobicContact CE1-CG2 4.27Å; Y26-T30 HydrophobicContact CE2-CG2 3.82Å; Y26-T30 WeakPolarHBondContact O-CB 3.44Å; Y26-T30 WeakPolarHBondContact O-CG2 3.39Å; Y26-T30 PolarHBondContact O-N 2.95Å; Y26-T30 PolarHBondContact O-OG1 3.33Å; Q27-T30 WeakPolarHBondContact CA-OG1 3.39Å; Q27-T30 PolarHBondContact O-N 3.1Å; Q27-T30 PolarHBondContact O-OG1 3.39Å; H28-T30 PolarHBondContact O-N 3.21Å; T30-S32 VanDerWaalsContact C-N 3.34Å; T30-I98 HydrophobicContact CG2-CG2 4.01Å |
| 31 | T | 75.8 | Confident | 76.6 | Confident | 82 Ų | 82 | 64.4 Ų | 64.4 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 12 | 175.6 | 59.6 | 0 | 0 | 0 | 0 | 113.6 | Q27 Q33 | Q27-T31 VanDerWaalsContact O-CB 3.28Å; Q27-T31 WeakPolarHBondContact O-CB 3.39Å; Q27-T31 VanDerWaalsContact O-CG2 3.31Å; Q27-T31 WeakPolarHBondContact O-CG2 3.14Å; Q27-T31 PolarHBondContact O-N 3.39Å; Q27-T31 PolarHBondContact O-OG1 3.21Å; T31-Q33 PolarHBondContact O-N 3.46Å; T31-Q33 VanDerWaalsContact O-N 3.13Å |
| 32 | S | 63.2 | Low | 76.7 | Confident | 110 Ų | 110 | 62.7 Ų | 62.7 | 77% | 0.769 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 23.6 | 178.9 | -56.6 | 0 | 0 | 0 | 0 | 115 | H28 T30 | H28-S32 PolarHBondContact O-N 3.38Å; T30-S32 VanDerWaalsContact C-N 3.34Å |
| 33 | Q | 55.8 | Low | 76.7 | Confident | 112 Ų | 112 | 67 Ų | 67 | 52% | 0.523 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -83.9 | 158 | 165.8 | -65.5 | -171.5 | -6.7 | 0 | 0 | 109.7 | H28 T31 L35 | H28-Q33 PolarHBondContact ND1-OE1 3.47Å; H28-Q33 PolarHBondContact O-N 3.47Å; H28-Q33 VanDerWaalsContact O-O 3.09Å; T31-Q33 PolarHBondContact O-N 3.46Å; T31-Q33 VanDerWaalsContact O-N 3.13Å; Q33-L35 PolarHBondContact O-N 2.92Å; Q33-L35 VanDerWaalsContact O-N 3.1Å |
| 34 | Q | 56.5 | Low | 76.8 | Confident | 187 Ų | 187 | 64.7 Ų | 64.7 | 87% | 0.874 | 34% | 0.338 | S | S | * | . | trans | -33.1 | 112.4 | -171 | -77 | -174.4 | -23 | 0 | 0 | 114.2 | P36 | Q34-P36 WeakPolarHBondContact O-CD 3.4Š| ||
| 35 | L | 61.1 | Low | 77 | Confident | 93 Ų | 93 | 61.8 Ų | 61.8 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 119.3 | -177.5 | -80.8 | 80.5 | 0 | 0 | 0 | 110.5 | Q33 L101 | Q33-L35 PolarHBondContact O-N 2.92Å; Q33-L35 VanDerWaalsContact O-N 3.1Å; L35-L101 WeakPolarHBondContact CD2-O 3.27Å |
| 36 | P | 65.3 | Low | 77.2 | Confident | 21 Ų | 21 | 65.1 Ų | 65.1 | 14% | 0.136 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -66 | 142.3 | 174.5 | 27.7 | -35.2 | 0 | 0 | 0 | 110.9 | Y25 V29 Q34 | Y25-P36 HydrophobicContact CD1-CB 3.94Å; Y25-P36 HydrophobicContact CD1-CG 3.91Å; Y25-P36 HydrophobicContact CE1-CB 4.26Å; Y25-P36 HydrophobicContact CG-CG 4.44Å; V29-P36 HydrophobicContact CG2-CG 3.93Å; Q34-P36 WeakPolarHBondContact O-CD 3.4Å |
| 37 | S | 75 | Confident | 77.4 | Confident | 36 Ų | 36 | 64.4 Ų | 64.4 | 25% | 0.252 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 143.4 | 170.2 | 76.7 | 0 | 0 | 0 | 0 | 110.8 | L39 N40 T104 | S37-L39 PolarHBondContact O-N 2.71Å; S37-N40 WeakPolarHBondContact O-CB 3.39Å; S37-N40 PolarHBondContact O-N 3.23Å; S37-T104 WeakPolarHBondContact CB-OG1 3.35Å |
| 38 | G | 78.5 | Confident | 77.7 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.7 | -24.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N40 I41 V42 T104 | G38-N40 VanDerWaalsContact C-N 3.3Å; G38-N40 PolarHBondContact O-N 3.39Å; G38-I41 PolarHBondContact O-N 3.46Å; G38-V42 VanDerWaalsContact O-CG2 3.28Å; G38-V42 WeakPolarHBondContact O-CG2 3.46Å; G38-V42 PolarHBondContact O-N 3.31Å; G38-T104 VanDerWaalsContact CA-O 3.3Å; G38-T104 WeakPolarHBondContact CA-O 3.49Å; G38-T104 PolarHBondContact N-O 3.22Å |
| 39 | L | 82.3 | Confident | 78.2 | Confident | 90 Ų | 90 | 56.7 Ų | 56.7 | 47% | 0.471 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.7 | -31.7 | 175.6 | -64.4 | 175.8 | 0 | 0 | 0 | 113.2 | S37 V42 N43 A108 | S37-L39 PolarHBondContact O-N 2.71Å; L39-V42 PolarHBondContact O-N 3.19Å; L39-N43 PolarHBondContact O-N 2.69Å; L39-N43 PolarHBondContact O-ND2 2.9Å; L39-A108 HydrophobicContact CD2-CB 4.5Å |
| 40 | N | 81.8 | Confident | 78.7 | Confident | 74 Ų | 74 | 63 Ų | 63 | 40% | 0.396 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.2 | -39.9 | 175.6 | -68.5 | -8.5 | 0 | 0 | 0 | 111.2 | S37 G38 T44 | S37-N40 WeakPolarHBondContact O-CB 3.39Å; S37-N40 PolarHBondContact O-N 3.23Å; G38-N40 VanDerWaalsContact C-N 3.3Å; G38-N40 PolarHBondContact O-N 3.39Å; N40-T44 PolarHBondContact O-N 3.19Å; N40-T44 PolarHBondContact O-OG1 3.16Å |
| 41 | I | 85.8 | Confident | 78.9 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.8 | -47.3 | 174.3 | -54.4 | 174.5 | 0 | 0 | 0 | 109.6 | L22 Y25 G38 N43 T44 L45 I95 V102 L109 | L22-I41 HydrophobicContact CD2-CG2 4.36Å; Y25-I41 HydrophobicContact CD2-CG1 3.9Å; Y25-I41 HydrophobicContact CE2-CG1 4.42Å; Y25-I41 HydrophobicContact CG-CG1 4.15Å; G38-I41 PolarHBondContact O-N 3.46Å; I41-N43 VanDerWaalsContact C-N 3.32Å; I41-N43 PolarHBondContact O-N 3.34Å; I41-T44 CarbonylContact O-C 3.6Å; I41-T44 WeakPolarHBondContact O-CA 3.16Å; I41-T44 WeakPolarHBondContact O-CB 2.97Å; I41-T44 PolarHBondContact O-N 2.91Å; I41-L45 HydrophobicContact CG2-CD1 4.23Å; I41-L45 HydrophobicContact CG2-CG 4.29Å; I41-L45 PolarHBondContact O-N 2.76Å; I41-I95 HydrophobicContact CG2-CD1 3.99Å; I41-I95 HydrophobicContact CG2-CG1 4.46Å; I41-I95 HydrophobicContact CG2-CG2 4.12Å; I41-V102 HydrophobicContact CD1-CG2 4.41Å; I41-L109 HydrophobicContact CB-CD1 3.94Å; I41-L109 HydrophobicContact CD1-CD2 4.46Å; I41-L109 HydrophobicContact CG2-CD1 3.59Å |
| 42 | V | 87.7 | Confident | 79.4 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -53.5 | -44.9 | 176.2 | 167.7 | 0 | 0 | 0 | 0 | 112.3 | G38 L39 T44 L45 R46 A108 L109 A112 | G38-V42 VanDerWaalsContact O-CG2 3.28Å; G38-V42 WeakPolarHBondContact O-CG2 3.46Å; G38-V42 PolarHBondContact O-N 3.31Å; L39-V42 PolarHBondContact O-N 3.19Å; V42-T44 VanDerWaalsContact C-N 3.26Å; V42-T44 PolarHBondContact O-N 3.11Å; V42-L45 PolarHBondContact O-N 2.98Å; V42-R46 HydrophobicContact CG1-CG 4.37Å; V42-R46 WeakPolarHBondContact O-CG 3.46Å; V42-R46 PolarHBondContact O-N 3.23Å; V42-A108 HydrophobicContact CG2-CB 4.31Å; V42-L109 VanDerWaalsContact CG2-CA 3.47Å; V42-L109 HydrophobicContact CG2-CB 4.03Å; V42-L109 HydrophobicContact CG2-CD1 4.21Å; V42-A112 HydrophobicContact CB-CB 4.44Å; V42-A112 HydrophobicContact CG1-CB 4.24Å; V42-A112 HydrophobicContact CG2-CB 3.99Å |
| 43 | N | 86.9 | Confident | 80.5 | Confident | 91 Ų | 91 | 53.1 Ų | 53.1 | 49% | 0.487 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.5 | -33.4 | 178.2 | -74 | -27.6 | 0 | 0 | 0 | 112.3 | L39 I41 R46 Y47 | L39-N43 PolarHBondContact O-N 2.69Å; L39-N43 PolarHBondContact O-ND2 2.9Å; I41-N43 VanDerWaalsContact C-N 3.32Å; I41-N43 PolarHBondContact O-N 3.34Å; N43-R46 PolarHBondContact OD1-NH1 2.82Å; N43-Y47 PolarHBondContact O-N 3.31Å |
| 44 | T | 87.2 | Confident | 81.7 | Confident | 7 Ų | 7 | 49.1 Ų | 49.1 | 4% | 0.043 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -73.2 | -38.1 | 174 | -56 | 0 | 0 | 0 | 0 | 111.8 | K18 L22 N40 I41 V42 Y47 F48 | K18-T44 HydrophobicContact CD-CG2 4.26Å; L22-T44 HydrophobicContact CD2-CG2 3.46Å; L22-T44 VanDerWaalsContact CD2-CG2 3.46Å; L22-T44 HydrophobicContact CG-CG2 4Å; N40-T44 PolarHBondContact O-N 3.19Å; N40-T44 PolarHBondContact O-OG1 3.16Å; I41-T44 CarbonylContact O-C 3.6Å; I41-T44 WeakPolarHBondContact O-CA 3.16Å; I41-T44 WeakPolarHBondContact O-CB 2.97Å; I41-T44 PolarHBondContact O-N 2.91Å; V42-T44 VanDerWaalsContact C-N 3.26Å; V42-T44 PolarHBondContact O-N 3.11Å; T44-Y47 WeakPolarHBondContact O-CB 3.41Å; T44-Y47 PolarHBondContact O-N 2.83Å; T44-F48 HydrophobicContact CG2-CD2 4.43Å; T44-F48 HydrophobicContact CG2-CE2 3.95Å; T44-F48 WeakPolarHBondContact O-CD2 3.44Å; T44-F48 PolarHBondContact O-N 3.44Å |
| 45 | L | 89.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67 | -41.1 | 174.6 | -66.9 | -177.6 | 0 | 0 | 0 | 112.8 | L22 I41 V42 Y47 F48 Q49 L92 I95 L109 A112 I113 T116 | L22-L45 HydrophobicContact CD1-CD2 4.16Å; I41-L45 HydrophobicContact CG2-CD1 4.23Å; I41-L45 HydrophobicContact CG2-CG 4.29Å; I41-L45 PolarHBondContact O-N 2.76Å; V42-L45 PolarHBondContact O-N 2.98Å; L45-Y47 VanDerWaalsContact C-N 3.27Å; L45-Y47 PolarHBondContact O-N 3.25Å; L45-F48 WeakPolarHBondContact O-CA 3.45Å; L45-F48 WeakPolarHBondContact O-CB 3.26Å; L45-F48 PolarHBondContact O-N 3.48Å; L45-Q49 WeakPolarHBondContact O-CG 3.26Å; L45-Q49 PolarHBondContact O-N 3.42Å; L45-L92 HydrophobicContact CD2-CD2 3.68Å; L45-I95 HydrophobicContact CD2-CD1 4.49Å; L45-L109 HydrophobicContact CD1-CD1 3.93Å; L45-A112 HydrophobicContact CB-CB 4.2Å; L45-A112 HydrophobicContact CD1-CB 3.98Å; L45-I113 HydrophobicContact CD1-CG1 3.81Å; L45-T116 HydrophobicContact CD2-CG2 4.47Å |
| 46 | R | 89.4 | Confident | 83.9 | Confident | 115 Ų | 115 | 36.8 Ų | 36.8 | 43% | 0.434 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60 | -36 | 174.2 | -72.9 | -170.7 | -159.9 | 132.3 | -1.7 | 112.7 | V42 N43 F48 Q49 Q50 | V42-R46 HydrophobicContact CG1-CG 4.37Å; V42-R46 WeakPolarHBondContact O-CG 3.46Å; V42-R46 PolarHBondContact O-N 3.23Å; N43-R46 PolarHBondContact OD1-NH1 2.82Å; R46-F48 VanDerWaalsContact C-N 3.33Å; R46-Q49 PolarHBondContact O-N 2.99Å; R46-Q50 WeakPolarHBondContact O-CG 3.42Å; R46-Q50 PolarHBondContact O-N 3.31Å |
| 47 | Y | 87.2 | Confident | 84.7 | Confident | 55 Ų | 55 | 41.3 Ų | 41.3 | 22% | 0.216 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.2 | -43.3 | 173 | 171.5 | -92 | 0 | 0 | 0 | 111.3 | L14 K18 N43 T44 L45 T51 | L14-Y47 WeakPolarHBondContact CD2-OH 3.07Å; K18-Y47 HydrophobicContact CB-CE1 4.43Å; K18-Y47 HydrophobicContact CG-CD1 4.14Å; K18-Y47 HydrophobicContact CG-CE1 4Å; N43-Y47 PolarHBondContact O-N 3.31Å; T44-Y47 WeakPolarHBondContact O-CB 3.41Å; T44-Y47 PolarHBondContact O-N 2.83Å; L45-Y47 VanDerWaalsContact C-N 3.27Å; L45-Y47 PolarHBondContact O-N 3.25Å; Y47-T51 WeakPolarHBondContact O-CB 3.33Å; Y47-T51 PolarHBondContact O-N 2.85Å; Y47-T51 PolarHBondContact O-OG1 3.36Å |
| 48 | F | 88.7 | Confident | 84.6 | Confident | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.7 | -44.1 | 174 | -71.6 | -67.2 | 0 | 0 | 0 | 112.5 | V15 K18 V19 L22 T44 L45 R46 Q50 T51 L52 L88 T116 | V15-F48 HydrophobicContact CG1-CE1 4.27Å; K18-F48 HydrophobicContact CB-CE1 4.47Å; K18-F48 HydrophobicContact CB-CE2 4.12Å; K18-F48 HydrophobicContact CB-CZ 3.67Å; V19-F48 HydrophobicContact CG2-CE1 4.1Å; V19-F48 HydrophobicContact CG2-CZ 3.75Å; L22-F48 HydrophobicContact CD1-CD2 4.31Å; L22-F48 HydrophobicContact CD1-CE2 3.75Å; L22-F48 HydrophobicContact CG-CE2 4.28Å; T44-F48 HydrophobicContact CG2-CD2 4.43Å; T44-F48 HydrophobicContact CG2-CE2 3.95Å; T44-F48 WeakPolarHBondContact O-CD2 3.44Å; T44-F48 PolarHBondContact O-N 3.44Å; L45-F48 WeakPolarHBondContact O-CA 3.45Å; L45-F48 WeakPolarHBondContact O-CB 3.26Å; L45-F48 PolarHBondContact O-N 3.48Å; R46-F48 VanDerWaalsContact C-N 3.33Å; F48-Q50 PolarHBondContact O-N 3.28Å; F48-T51 PolarHBondContact O-N 3.23Å; F48-L52 WeakPolarHBondContact O-CB 3.43Å; F48-L52 VanDerWaalsContact O-CG 3.28Å; F48-L52 WeakPolarHBondContact O-CG 3.5Å; F48-L52 PolarHBondContact O-N 2.69Å; F48-L88 HydrophobicContact CB-CD2 4.14Å; F48-L88 HydrophobicContact CD1-CD1 4.06Å; F48-L88 HydrophobicContact CD1-CD2 3.61Å; F48-L88 HydrophobicContact CD1-CG 4.47Å; F48-L88 HydrophobicContact CD2-CD1 3.71Å; F48-L88 HydrophobicContact CE1-CD1 4.03Å; F48-L88 HydrophobicContact CE1-CD2 4.08Å; F48-L88 HydrophobicContact CE2-CD1 3.69Å; F48-L88 HydrophobicContact CG-CD1 3.9Å; F48-L88 HydrophobicContact CG-CD2 3.85Å; F48-L88 HydrophobicContact CZ-CD1 3.85Å; F48-T116 HydrophobicContact CB-CG2 4.38Å |
| 49 | Q | 88.8 | Confident | 84.2 | Confident | 29 Ų | 29 | 45.7 Ų | 45.7 | 14% | 0.136 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.5 | -51.8 | 176.3 | -67.9 | 162.6 | 7 | 0 | 0 | 111.9 | L45 R46 T51 L52 L53 A112 T116 | L45-Q49 WeakPolarHBondContact O-CG 3.26Å; L45-Q49 PolarHBondContact O-N 3.42Å; R46-Q49 PolarHBondContact O-N 2.99Å; Q49-T51 VanDerWaalsContact C-N 3.32Å; Q49-T51 PolarHBondContact O-N 3.34Å; Q49-L52 PolarHBondContact O-N 2.93Å; Q49-L53 WeakPolarHBondContact O-CB 3.38Å; Q49-L53 WeakPolarHBondContact O-CG 3.42Å; Q49-L53 PolarHBondContact O-N 3.39Å; Q49-A112 PolarHBondContact NE2-O 3.07Å; Q49-T116 PolarHBondContact NE2-OG1 3.14Å |
| 50 | Q | 87.1 | Confident | 83.3 | Confident | 145 Ų | 145 | 50.8 Ų | 50.8 | 68% | 0.678 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -63.5 | -36.8 | 178.5 | -71.1 | -178.7 | -11.3 | 0 | 0 | 112.2 | R46 F48 G54 | R46-Q50 WeakPolarHBondContact O-CG 3.42Å; R46-Q50 PolarHBondContact O-N 3.31Å; F48-Q50 PolarHBondContact O-N 3.28Å; Q50-G54 PolarHBondContact O-N 2.96Å |
| 51 | T | 84.6 | Confident | 82.3 | Confident | 27 Ų | 27 | 48.5 Ų | 48.5 | 17% | 0.166 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.7 | -46.1 | 176.8 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | Y47 F48 Q49 G54 I55 | Y47-T51 WeakPolarHBondContact O-CB 3.33Å; Y47-T51 PolarHBondContact O-N 2.85Å; Y47-T51 PolarHBondContact O-OG1 3.36Å; F48-T51 PolarHBondContact O-N 3.23Å; Q49-T51 VanDerWaalsContact C-N 3.32Å; Q49-T51 PolarHBondContact O-N 3.34Å; T51-G54 PolarHBondContact O-N 2.88Å; T51-I55 HydrophobicContact CG2-CD1 4.26Å; T51-I55 WeakPolarHBondContact O-CG1 3.25Å; T51-I55 PolarHBondContact O-N 3.49Å |
| 52 | L | 85.7 | Confident | 80.9 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.1 | -44.6 | -179.8 | -68.1 | 170.1 | 0 | 0 | 0 | 111.8 | F48 Q49 G54 I55 L56 Y85 C119 L120 F123 | F48-L52 WeakPolarHBondContact O-CB 3.43Å; F48-L52 VanDerWaalsContact O-CG 3.28Å; F48-L52 WeakPolarHBondContact O-CG 3.5Å; F48-L52 PolarHBondContact O-N 2.69Å; Q49-L52 PolarHBondContact O-N 2.93Å; L52-G54 VanDerWaalsContact C-N 3.32Å; L52-G54 PolarHBondContact O-N 2.88Å; L52-I55 PolarHBondContact O-N 2.83Å; L52-L56 PolarHBondContact O-N 3.32Å; L52-Y85 HydrophobicContact CD2-CD1 4.23Å; L52-Y85 HydrophobicContact CD2-CE1 3.84Å; L52-C119 HydrophobicContact CB-CB 4.05Å; L52-C119 HydrophobicContact CD1-CB 3.92Å; L52-L120 HydrophobicContact CD1-CB 4.2Å; L52-L120 HydrophobicContact CD1-CD1 4.15Å; L52-F123 HydrophobicContact CB-CE2 4.18Å; L52-F123 HydrophobicContact CD2-CD1 4.31Å; L52-F123 HydrophobicContact CD2-CD2 3.87Å; L52-F123 HydrophobicContact CD2-CE1 4.31Å; L52-F123 HydrophobicContact CD2-CE2 3.88Å; L52-F123 HydrophobicContact CD2-CG 4.08Å; L52-F123 HydrophobicContact CD2-CZ 4.1Å |
| 53 | L | 85.4 | Confident | 79.6 | Confident | 18 Ų | 18 | 53.8 Ų | 53.8 | 9% | 0.094 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 173.3 | -74 | 167.8 | 0 | 0 | 0 | 112 | Q49 L56 R57 A307 | Q49-L53 WeakPolarHBondContact O-CB 3.38Å; Q49-L53 WeakPolarHBondContact O-CG 3.42Å; Q49-L53 PolarHBondContact O-N 3.39Å; L53-L56 PolarHBondContact O-N 3.04Å; L53-R57 WeakPolarHBondContact O-CG 3.41Å; L53-R57 PolarHBondContact O-N 2.85Å; L53-A307 HydrophobicContact CD2-CB 4.36Å |
| 54 | G | 82.6 | Confident | 78.1 | Confident | 28 Ų | 28 | 50.6 Ų | 50.6 | 29% | 0.289 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.9 | -43.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q50 T51 L52 R57 E58 | Q50-G54 PolarHBondContact O-N 2.96Å; T51-G54 PolarHBondContact O-N 2.88Å; L52-G54 VanDerWaalsContact C-N 3.32Å; L52-G54 PolarHBondContact O-N 2.88Å; G54-R57 PolarHBondContact O-N 2.91Å; G54-E58 PolarHBondContact O-N 2.76Å; G54-E58 VanDerWaalsContact O-N 3.17Å |
| 55 | I | 80.8 | Confident | 76.7 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 11% | 0.113 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 174.3 | -67.7 | 162 | 0 | 0 | 0 | 110.7 | T51 L52 R57 E58 T59 F80 P81 L83 F123 | T51-I55 HydrophobicContact CG2-CD1 4.26Å; T51-I55 WeakPolarHBondContact O-CG1 3.25Å; T51-I55 PolarHBondContact O-N 3.49Å; L52-I55 PolarHBondContact O-N 2.83Å; I55-R57 VanDerWaalsContact C-N 3.33Å; I55-R57 PolarHBondContact O-N 3.43Å; I55-E58 PolarHBondContact O-N 2.87Å; I55-E58 VanDerWaalsContact O-N 3.15Å; I55-T59 WeakPolarHBondContact O-CG2 3.38Å; I55-T59 PolarHBondContact O-N 3.46Å; I55-T59 VanDerWaalsContact O-N 3.17Å; I55-F80 HydrophobicContact CG2-CD1 3.7Å; I55-F80 HydrophobicContact CG2-CE1 4.17Å; I55-P81 HydrophobicContact CD1-CG 3.9Å; I55-P81 HydrophobicContact CG1-CG 4.21Å; I55-P81 HydrophobicContact CG2-CG 4.49Å; I55-L83 HydrophobicContact CD1-CD1 3.9Å; I55-F123 HydrophobicContact CB-CE1 4.42Å; I55-F123 HydrophobicContact CB-CZ 4.4Å; I55-F123 HydrophobicContact CG2-CE1 3.81Å; I55-F123 HydrophobicContact CG2-CZ 4.15Å |
| 56 | L | 81.4 | Confident | 74.9 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.4 | -41.5 | 177.7 | -66.9 | -178.4 | 0 | 0 | 0 | 112.2 | L52 L53 E58 T59 F80 L122 F123 P303 A307 A313 | L52-L56 PolarHBondContact O-N 3.32Å; L53-L56 PolarHBondContact O-N 3.04Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-E58 PolarHBondContact O-N 3.42Å; L56-T59 PolarHBondContact O-N 3.31Å; L56-T59 PolarHBondContact O-OG1 3.31Å; L56-F80 HydrophobicContact CD2-CE1 4.12Å; L56-F80 HydrophobicContact CD2-CZ 4.29Å; L56-L122 HydrophobicContact CD2-CD1 4.33Å; L56-F123 HydrophobicContact CD2-CE2 4Å; L56-F123 HydrophobicContact CD2-CZ 3.63Å; L56-F123 HydrophobicContact CG-CE2 4.2Å; L56-F123 HydrophobicContact CG-CZ 3.93Å; L56-P303 HydrophobicContact CD2-CB 4.12Å; L56-A307 HydrophobicContact CB-CB 3.9Å; L56-A313 HydrophobicContact CD1-CB 4.34Å |
| 57 | R | 82.4 | Confident | 73.3 | Confident | 115 Ų | 115 | 50 Ų | 50 | 43% | 0.434 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.4 | -33.1 | 175.4 | -70.9 | 177.2 | 179.6 | 150.2 | 6.2 | 113.9 | L53 G54 I55 A307 D311 | L53-R57 WeakPolarHBondContact O-CG 3.41Å; L53-R57 PolarHBondContact O-N 2.85Å; G54-R57 PolarHBondContact O-N 2.91Å; I55-R57 VanDerWaalsContact C-N 3.33Å; I55-R57 PolarHBondContact O-N 3.43Å; R57-A307 HydrophobicContact CG-CB 3.85Å; R57-A307 PolarHBondContact NE-O 3.39Å; R57-A307 PolarHBondContact NH2-O 3.09Å; R57-D311 IonicContact CZ-OD1 2.91Å; R57-D311 VanDerWaalsContact NH2-CG 3.29Å; R57-D311 IonicContact NH2-OD1 2.66Å; R57-D311 PolarHBondContact NH2-OD1 2.92Å; R57-D311 IonicContact NH2-OD2 2.74Å |
| 58 | E | 73.5 | Confident | 71.6 | Confident | 113 Ų | 113 | 49.5 Ų | 49.5 | 53% | 0.528 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -85.4 | -5.9 | 178.1 | -69.2 | -168.5 | 159.8 | 0 | 0 | 113.5 | A2 G54 I55 L56 | A2-E58 WeakPolarHBondContact CB-OE2 3.35Å; G54-E58 PolarHBondContact O-N 2.76Å; G54-E58 VanDerWaalsContact O-N 3.17Å; I55-E58 PolarHBondContact O-N 2.87Å; I55-E58 VanDerWaalsContact O-N 3.15Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-E58 PolarHBondContact O-N 3.42Å |
| 59 | T | 69.5 | Low | 69.8 | Low | 16 Ų | 16 | 58.1 Ų | 58.1 | 10% | 0.098 | 30% | 0.296 | C | S | . | . | trans | -72.2 | 136.9 | 177.9 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | I55 L56 F80 V304 | I55-T59 WeakPolarHBondContact O-CG2 3.38Å; I55-T59 PolarHBondContact O-N 3.46Å; I55-T59 VanDerWaalsContact O-N 3.17Å; L56-T59 PolarHBondContact O-N 3.31Å; L56-T59 PolarHBondContact O-OG1 3.31Å; T59-F80 HydrophobicContact CG2-CD1 3.92Å; T59-F80 HydrophobicContact CG2-CE1 3.66Å; T59-V304 VanDerWaalsContact O-CG2 3.29Å; T59-V304 WeakPolarHBondContact O-CG2 3.34Å | ||
| 60 | Q | 62.7 | Low | 67.8 | Low | 197 Ų | 197 | 58.9 Ų | 58.9 | 92% | 0.921 | 30% | 0.301 | S | S | * | . | trans | -87.8 | -4.9 | -177.5 | -65.9 | -175.5 | -7.1 | 0 | 0 | 114.5 | ||||
| 61 | S | 61.8 | Low | 65.9 | Low | 25 Ų | 25 | 61.5 Ų | 61.5 | 18% | 0.175 | 31% | 0.31 | C | S | . | . | trans | -98 | 117.8 | -176.6 | 55.4 | 0 | 0 | 0 | 0 | 112.7 | F67 | S61-F67 WeakPolarHBondContact OG-CZ 3.19Š| ||
| 62 | T | 57 | Low | 64.3 | Low | 61 Ų | 61 | 63.1 Ų | 63.1 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | trans | -85 | -21.3 | 175.3 | 53.7 | 0 | 0 | 0 | 0 | 113.7 | C302 | T62-C302 PolarHBondContact O-SG 3.48Š| ||
| 63 | S | 59.9 | Low | 62.6 | Low | 52 Ų | 52 | 70 Ų | 70 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | trans | -80.2 | 133.9 | -178.1 | 179 | 0 | 0 | 0 | 0 | 112 | A65 P66 F67 | S63-A65 VanDerWaalsContact C-N 3.26Å; S63-A65 PolarHBondContact O-N 2.88Å; S63-A65 WeakPolarHBondContact OG-CB 3.31Å; S63-A65 PolarHBondContact OG-N 3.21Å; S63-P66 VanDerWaalsContact O-CD 3.24Å; S63-P66 WeakPolarHBondContact O-CD 3.45Å; S63-F67 WeakPolarHBondContact O-CD2 3.19Å; S63-F67 WeakPolarHBondContact O-CE2 3.34Å | ||
| 64 | L | 55 | Low | 60.9 | Low | 24 Ų | 24 | 73.5 Ų | 73.5 | 13% | 0.126 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -72.5 | -18.3 | 173 | -153 | 75.2 | 0 | 0 | 0 | 113.5 | P66 F67 M68 Y301 P303 | L64-P66 VanDerWaalsContact C-CD 3.43Å; L64-F67 HydrophobicContact CD1-CD2 4.41Å; L64-F67 WeakPolarHBondContact O-CB 3.26Å; L64-F67 PolarHBondContact O-N 2.97Å; L64-M68 HydrophobicContact CB-CG 4.5Å; L64-M68 HydrophobicContact CD2-CG 3.57Å; L64-M68 HydrophobicContact CD2-SD 3.65Å; L64-M68 HydrophobicContact CG-CG 3.84Å; L64-M68 HydrophobicContact CG-SD 4.28Å; L64-M68 PolarHBondContact O-N 3.33Å; L64-Y301 WeakPolarHBondContact CD1-O 3.23Å; L64-Y301 HydrophobicContact CD2-CD1 4.07Å; L64-Y301 HydrophobicContact CD2-CG 3.92Å; L64-P303 HydrophobicContact CD1-CG 4.14Å |
| 65 | A | 57.4 | Low | 59.5 | Low | 42 Ų | 42 | 74.4 Ų | 74.4 | 35% | 0.347 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57.8 | -36.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S63 R69 | S63-A65 VanDerWaalsContact C-N 3.26Å; S63-A65 PolarHBondContact O-N 2.88Å; S63-A65 WeakPolarHBondContact OG-CB 3.31Å; S63-A65 PolarHBondContact OG-N 3.21Å; A65-R69 WeakPolarHBondContact O-CB 3.16Å; A65-R69 VanDerWaalsContact O-CG 3.29Å; A65-R69 WeakPolarHBondContact O-CG 3.21Å; A65-R69 PolarHBondContact O-N 3.44Å; A65-R69 VanDerWaalsContact O-N 3.14Å |
| 66 | P | 52.7 | Low | 58.3 | Low | 56 Ų | 56 | 76 Ų | 76 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.7 | -36.6 | 173.2 | -19.6 | 33.8 | 0 | 0 | 0 | 112.6 | S63 L64 L79 | S63-P66 VanDerWaalsContact O-CD 3.24Å; S63-P66 WeakPolarHBondContact O-CD 3.45Å; L64-P66 VanDerWaalsContact C-CD 3.43Å; P66-L79 HydrophobicContact CB-CD1 4.06Å |
| 67 | F | 54.2 | Low | 57.1 | Low | 12 Ų | 12 | 78.9 Ų | 78.9 | 5% | 0.053 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -73.4 | -37.6 | -178.7 | -53.2 | -81.8 | 0 | 0 | 0 | 112.2 | S61 S63 L64 L70 F80 P303 | S61-F67 WeakPolarHBondContact OG-CZ 3.19Å; S63-F67 WeakPolarHBondContact O-CD2 3.19Å; S63-F67 WeakPolarHBondContact O-CE2 3.34Å; L64-F67 HydrophobicContact CD1-CD2 4.41Å; L64-F67 WeakPolarHBondContact O-CB 3.26Å; L64-F67 PolarHBondContact O-N 2.97Å; F67-L70 WeakPolarHBondContact O-CD1 3.34Å; F67-F80 HydrophobicContact CD1-CE2 4.24Å; F67-F80 HydrophobicContact CD1-CZ 4.1Å; F67-F80 HydrophobicContact CE1-CE1 4.27Å; F67-F80 AromaticContact CE1-CE2 3.92Å; F67-F80 HydrophobicContact CE1-CE2 3.92Å; F67-F80 AromaticContact CE1-CZ 3.48Å; F67-F80 HydrophobicContact CE1-CZ 3.48Å; F67-F80 VanDerWaalsContact CE1-CZ 3.48Å; F67-P303 HydrophobicContact CD2-CG 4.23Å; F67-P303 HydrophobicContact CE2-CG 3.88Å; F67-P303 HydrophobicContact CZ-CG 4.18Å |
| 68 | M | 52.1 | Low | 55.9 | Low | 45 Ų | 45 | 78.8 Ų | 78.8 | 22% | 0.222 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -75.5 | -26.6 | 176.2 | -59.9 | -61.1 | -76.9 | 0 | 0 | 112.9 | L64 L70 F162 L165 | L64-M68 HydrophobicContact CB-CG 4.5Å; L64-M68 HydrophobicContact CD2-CG 3.57Å; L64-M68 HydrophobicContact CD2-SD 3.65Å; L64-M68 HydrophobicContact CG-CG 3.84Å; L64-M68 HydrophobicContact CG-SD 4.28Å; L64-M68 PolarHBondContact O-N 3.33Å; M68-L70 VanDerWaalsContact C-N 3.3Å; M68-L70 PolarHBondContact O-N 2.86Å; M68-L70 VanDerWaalsContact O-N 3.14Å; M68-F162 HydrophobicContact CE-CD2 4.17Å; M68-F162 HydrophobicContact SD-CD2 3.45Å; M68-F162 WeakPolarHBondContact SD-CD2 3.31Å; M68-F162 HydrophobicContact SD-CE2 3.48Å; M68-F162 WeakPolarHBondContact SD-CE2 3.39Å; M68-L165 HydrophobicContact CE-CB 3.52Å; M68-L165 HydrophobicContact CE-CD1 4.32Å |
| 69 | R | 51.4 | Low | 55.4 | Low | 188 Ų | 188 | 76 Ų | 76 | 71% | 0.709 | 41% | 0.406 | S | S | * | . | trans | -87.7 | 66.2 | 177.2 | -69.4 | 178.8 | 179.5 | 177.2 | 1.3 | 110.7 | A65 K71 | A65-R69 WeakPolarHBondContact O-CB 3.16Å; A65-R69 VanDerWaalsContact O-CG 3.29Å; A65-R69 WeakPolarHBondContact O-CG 3.21Å; A65-R69 PolarHBondContact O-N 3.44Å; A65-R69 VanDerWaalsContact O-N 3.14Å; R69-K71 PolarHBondContact O-N 2.95Å | ||
| 70 | L | 47.2 | Very low | 55.4 | Low | 46 Ų | 46 | 75.9 Ų | 75.9 | 24% | 0.241 | 40% | 0.404 | C | S | . | . | trans | -63.8 | 74.7 | 170 | -73.6 | 95.2 | 0 | 0 | 0 | 111.4 | F67 M68 K126 F162 | F67-L70 WeakPolarHBondContact O-CD1 3.34Å; M68-L70 VanDerWaalsContact C-N 3.3Å; M68-L70 PolarHBondContact O-N 2.86Å; M68-L70 VanDerWaalsContact O-N 3.14Å; L70-K126 HydrophobicContact CB-CB 4.36Å; L70-K126 HydrophobicContact CB-CG 4.4Å; L70-K126 HydrophobicContact CD2-CB 3.85Å; L70-K126 HydrophobicContact CD2-CG 4.27Å; L70-F162 HydrophobicContact CD1-CZ 4.25Å | ||
| 71 | K | 47.5 | Very low | 55.7 | Low | 199 Ų | 199 | 68 Ų | 68 | 87% | 0.865 | 37% | 0.37 | S | S | * | . | trans | -129.2 | -8.2 | -177.7 | -78 | -160.7 | 171.6 | -168.9 | 0 | 116.4 | R69 | R69-K71 PolarHBondContact O-N 2.95Š| ||
| 72 | S | 50.4 | Low | 56.1 | Low | 61 Ų | 61 | 72.6 Ų | 72.6 | 43% | 0.427 | 39% | 0.393 | S | S | . | . | trans | -160.1 | 125.4 | 169.2 | 58.6 | 0 | 0 | 0 | 0 | 114.2 | P74 S75 | S72-P74 VanDerWaalsContact C-CD 3.49Å; S72-S75 PolarHBondContact O-N 3.03Å; S72-S75 PolarHBondContact O-OG 2.92Å; S72-S75 PolarHBondContact OG-OG 3.41Å | ||
| 73 | E | 49.9 | Very low | 56.8 | Low | 149 Ų | 149 | 71 Ų | 71 | 70% | 0.696 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -45.1 | -48.1 | 170.7 | -79.9 | -166.9 | 108.4 | 0 | 0 | 115.6 | S75 R76 S77 | E73-S75 PolarHBondContact O-N 3.02Å; E73-R76 WeakPolarHBondContact O-CB 3.45Å; E73-R76 PolarHBondContact O-N 3.09Å; E73-S77 PolarHBondContact O-N 3.47Å |
| 74 | P | 50.1 | Low | 57.8 | Low | 92 Ų | 92 | 72.4 Ų | 72.4 | 60% | 0.597 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.5 | -19.1 | -176.3 | 20.7 | -34.7 | 0 | 0 | 0 | 114.5 | S72 S77 T78 | S72-P74 VanDerWaalsContact C-CD 3.49Å; P74-S77 PolarHBondContact O-OG 3.3Å; P74-T78 PolarHBondContact O-OG1 3Å |
| 75 | S | 53.2 | Low | 59.1 | Low | 47 Ų | 47 | 72.7 Ų | 72.7 | 33% | 0.329 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -80.6 | -19.7 | 172.9 | 69.7 | 0 | 0 | 0 | 0 | 113.4 | S72 E73 T78 L79 | S72-S75 PolarHBondContact O-N 3.03Å; S72-S75 PolarHBondContact O-OG 2.92Å; S72-S75 PolarHBondContact OG-OG 3.41Å; E73-S75 PolarHBondContact O-N 3.02Å; S75-T78 PolarHBondContact O-OG1 2.82Å; S75-L79 WeakPolarHBondContact O-CD1 3.44Å; S75-L79 WeakPolarHBondContact O-CG 3.48Å |
| 76 | R | 56 | Low | 60.3 | Low | 56 Ų | 56 | 72 Ų | 72 | 21% | 0.211 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -86.5 | -39.1 | 175.9 | -67.2 | 177.8 | 66.5 | 118.9 | 6 | 112.6 | E73 T78 L79 F80 L122 F123 L124 | E73-R76 WeakPolarHBondContact O-CB 3.45Å; E73-R76 PolarHBondContact O-N 3.09Å; R76-T78 PolarHBondContact O-N 3.26Å; R76-T78 VanDerWaalsContact O-N 3.15Å; R76-L79 PolarHBondContact O-N 2.88Å; R76-F80 PolarHBondContact O-N 2.93Å; R76-L122 PolarHBondContact NH2-O 3.07Å; R76-F123 PolarHBondContact NH2-O 3.23Å; R76-L124 VanDerWaalsContact CZ-O 3.22Å; R76-L124 PolarHBondContact NH1-O 2.85Å; R76-L124 PolarHBondContact NH2-O 2.98Å; R76-L124 VanDerWaalsContact NH2-O 3.07Å |
| 77 | S | 55.7 | Low | 61.8 | Low | 61 Ų | 61 | 70 Ų | 70 | 43% | 0.427 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -12.3 | 180 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | E73 P74 | E73-S77 PolarHBondContact O-N 3.47Å; P74-S77 PolarHBondContact O-OG 3.3Å |
| 78 | T | 57.6 | Low | 63.4 | Low | 112 Ų | 112 | 69.6 Ų | 69.6 | 69% | 0.687 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -26.7 | 168.7 | 44.6 | 0 | 0 | 0 | 0 | 113.5 | P74 S75 R76 | P74-T78 PolarHBondContact O-OG1 3Å; S75-T78 PolarHBondContact O-OG1 2.82Å; R76-T78 PolarHBondContact O-N 3.26Å; R76-T78 VanDerWaalsContact O-N 3.15Å |
| 79 | L | 62.1 | Low | 65.1 | Low | 55 Ų | 55 | 67.8 Ų | 67.8 | 29% | 0.288 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -37.3 | -179.6 | -72.3 | 170.1 | 0 | 0 | 0 | 113.1 | P66 S75 R76 | P66-L79 HydrophobicContact CB-CD1 4.06Å; S75-L79 WeakPolarHBondContact O-CD1 3.44Å; S75-L79 WeakPolarHBondContact O-CG 3.48Å; R76-L79 PolarHBondContact O-N 2.88Å |
| 80 | F | 70.1 | Confident | 66.7 | Low | 13 Ų | 13 | 62.8 Ų | 62.8 | 6% | 0.057 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -125.1 | 150.9 | -175.8 | -62.8 | -51.5 | 0 | 0 | 0 | 111.7 | I55 L56 T59 F67 R76 F123 | I55-F80 HydrophobicContact CG2-CD1 3.7Å; I55-F80 HydrophobicContact CG2-CE1 4.17Å; L56-F80 HydrophobicContact CD2-CE1 4.12Å; L56-F80 HydrophobicContact CD2-CZ 4.29Å; T59-F80 HydrophobicContact CG2-CD1 3.92Å; T59-F80 HydrophobicContact CG2-CE1 3.66Å; F67-F80 HydrophobicContact CD1-CE2 4.24Å; F67-F80 HydrophobicContact CD1-CZ 4.1Å; F67-F80 HydrophobicContact CE1-CE1 4.27Å; F67-F80 AromaticContact CE1-CE2 3.92Å; F67-F80 HydrophobicContact CE1-CE2 3.92Å; F67-F80 AromaticContact CE1-CZ 3.48Å; F67-F80 HydrophobicContact CE1-CZ 3.48Å; F67-F80 VanDerWaalsContact CE1-CZ 3.48Å; R76-F80 PolarHBondContact O-N 2.93Å; F80-F123 HydrophobicContact CD1-CD1 4.09Å; F80-F123 AromaticContact CD1-CE1 3.47Å; F80-F123 HydrophobicContact CD1-CE1 3.47Å; F80-F123 VanDerWaalsContact CD1-CE1 3.47Å; F80-F123 HydrophobicContact CD1-CZ 4.36Å; F80-F123 AromaticContact CD2-CD1 3.86Å; F80-F123 HydrophobicContact CD2-CD1 3.86Å; F80-F123 HydrophobicContact CD2-CE1 4.08Å; F80-F123 HydrophobicContact CE1-CD1 4.09Å; F80-F123 AromaticContact CE1-CE1 3.36Å; F80-F123 HydrophobicContact CE1-CE1 3.36Å; F80-F123 AromaticContact CE1-CZ 3.87Å; F80-F123 HydrophobicContact CE1-CZ 3.87Å; F80-F123 AromaticContact CE2-CD1 3.88Å; F80-F123 HydrophobicContact CE2-CD1 3.88Å; F80-F123 HydrophobicContact CE2-CE1 4Å; F80-F123 AromaticContact CG-CD1 3.94Å; F80-F123 HydrophobicContact CG-CD1 3.94Å; F80-F123 AromaticContact CG-CE1 3.81Å; F80-F123 HydrophobicContact CG-CE1 3.81Å; F80-F123 AromaticContact CZ-CD1 3.96Å; F80-F123 HydrophobicContact CZ-CD1 3.96Å; F80-F123 AromaticContact CZ-CE1 3.62Å; F80-F123 HydrophobicContact CZ-CE1 3.62Å; F80-F123 HydrophobicContact CZ-CZ 4.08Å |
| 81 | P | 68.3 | Low | 68.6 | Low | 33 Ų | 33 | 60.6 Ų | 60.6 | 21% | 0.214 | 33% | 0.333 | C | S | . | . | trans | -63.9 | 141.3 | 170.6 | 27.7 | -32.9 | 0 | 0 | 0 | 110.5 | I55 L83 Y85 | I55-P81 HydrophobicContact CD1-CG 3.9Å; I55-P81 HydrophobicContact CG1-CG 4.21Å; I55-P81 HydrophobicContact CG2-CG 4.49Å; P81-L83 VanDerWaalsContact C-N 3.27Å; P81-L83 HydrophobicContact CB-CG 4.41Å; P81-L83 HydrophobicContact CG-CD1 4.31Å; P81-L83 HydrophobicContact CG-CG 4.31Å; P81-L83 PolarHBondContact O-N 3.19Å; P81-Y85 VanDerWaalsContact O-CE2 3.26Å; P81-Y85 WeakPolarHBondContact O-CE2 3.39Å; P81-Y85 PolarHBondContact O-OH 3.08Å | ||
| 82 | N | 69.4 | Low | 70.5 | Confident | 121 Ų | 121 | 51.2 Ų | 51.2 | 65% | 0.647 | 29% | 0.292 | S | S | * | . | trans | -70.6 | 81 | 173.8 | -89.8 | 10.3 | 0 | 0 | 0 | 110.7 | ||||
| 83 | L | 72.6 | Confident | 72.2 | Confident | 27 Ų | 27 | 50.1 Ų | 50.1 | 14% | 0.141 | 28% | 0.282 | C | S | . | . | trans | -96.5 | 160.9 | 166.5 | -59.3 | 178.4 | 0 | 0 | 0 | 109.4 | L12 V15 I55 P81 Y85 | L12-L83 HydrophobicContact CD1-CD2 4.37Å; V15-L83 HydrophobicContact CB-CD2 4.25Å; V15-L83 HydrophobicContact CG1-CB 4.36Å; V15-L83 HydrophobicContact CG1-CD2 4.2Å; V15-L83 HydrophobicContact CG2-CD1 4.42Å; V15-L83 HydrophobicContact CG2-CD2 4.09Å; I55-L83 HydrophobicContact CD1-CD1 3.9Å; P81-L83 VanDerWaalsContact C-N 3.27Å; P81-L83 HydrophobicContact CB-CG 4.41Å; P81-L83 HydrophobicContact CG-CD1 4.31Å; P81-L83 HydrophobicContact CG-CG 4.31Å; P81-L83 PolarHBondContact O-N 3.19Å; L83-Y85 HydrophobicContact CB-CE1 4.08Å; L83-Y85 HydrophobicContact CB-CE2 4.09Å; L83-Y85 HydrophobicContact CD1-CE1 4.49Å; L83-Y85 WeakPolarHBondContact O-CD2 3.43Å; L83-Y85 WeakPolarHBondContact O-CE2 3.29Å; L83-Y85 PolarHBondContact O-N 3.26Å | ||
| 84 | N | 80.2 | Confident | 74 | Confident | 81 Ų | 81 | 45.1 Ų | 45.1 | 43% | 0.433 | 26% | 0.26 | S | S | . | . | trans | -77.6 | 67.5 | -179.2 | -169.3 | 2.2 | 0 | 0 | 0 | 112.1 | G87 L88 | N84-G87 PolarHBondContact O-N 3.16Å; N84-G87 WeakPolarHBondContact OD1-CA 3.22Å; N84-G87 PolarHBondContact OD1-N 3.25Å; N84-L88 PolarHBondContact O-N 3.19Å | ||
| 85 | Y | 84.1 | Confident | 75.7 | Confident | 31 Ų | 31 | 40.8 Ų | 40.8 | 12% | 0.122 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.9 | -41.1 | -178.5 | -55.9 | -73.4 | 0 | 0 | 0 | 112.5 | L52 P81 L83 G87 L88 Y89 L120 F123 | L52-Y85 HydrophobicContact CD2-CD1 4.23Å; L52-Y85 HydrophobicContact CD2-CE1 3.84Å; P81-Y85 VanDerWaalsContact O-CE2 3.26Å; P81-Y85 WeakPolarHBondContact O-CE2 3.39Å; P81-Y85 PolarHBondContact O-OH 3.08Å; L83-Y85 HydrophobicContact CB-CE1 4.08Å; L83-Y85 HydrophobicContact CB-CE2 4.09Å; L83-Y85 HydrophobicContact CD1-CE1 4.49Å; L83-Y85 WeakPolarHBondContact O-CD2 3.43Å; L83-Y85 WeakPolarHBondContact O-CE2 3.29Å; L83-Y85 PolarHBondContact O-N 3.26Å; Y85-G87 VanDerWaalsContact C-N 3.34Å; Y85-G87 PolarHBondContact O-N 3.49Å; Y85-L88 PolarHBondContact O-N 3.24Å; Y85-Y89 PolarHBondContact O-N 3.26Å; Y85-L120 HydrophobicContact CD1-CD1 4.26Å; Y85-F123 HydrophobicContact CD1-CB 3.65Å; Y85-F123 HydrophobicContact CD1-CD1 4.22Å; Y85-F123 HydrophobicContact CD1-CG 4.15Å; Y85-F123 HydrophobicContact CE1-CB 3.94Å; Y85-F123 AromaticContact CE1-CD1 3.6Å; Y85-F123 HydrophobicContact CE1-CD1 3.6Å; Y85-F123 HydrophobicContact CE1-CE1 4.35Å; Y85-F123 AromaticContact CE1-CG 3.96Å; Y85-F123 HydrophobicContact CE1-CG 3.96Å; Y85-F123 HydrophobicContact CG-CB 4.01Å; Y85-F123 AromaticContact CZ-CD1 3.8Å |
| 86 | A | 80.6 | Confident | 77.2 | Confident | 26 Ų | 26 | 39.4 Ų | 39.4 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.9 | -39.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | L88 Y89 N90 | A86-L88 VanDerWaalsContact C-N 3.34Å; A86-L88 PolarHBondContact O-N 2.92Å; A86-Y89 PolarHBondContact O-N 2.93Å; A86-N90 VanDerWaalsContact O-CG 3.31Å; A86-N90 PolarHBondContact O-N 3.3Å |
| 87 | G | 84.5 | Confident | 78.5 | Confident | 14 Ų | 14 | 41.7 Ų | 41.7 | 14% | 0.144 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.4 | -36.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N84 Y85 A91 | N84-G87 PolarHBondContact O-N 3.16Å; N84-G87 WeakPolarHBondContact OD1-CA 3.22Å; N84-G87 PolarHBondContact OD1-N 3.25Å; Y85-G87 VanDerWaalsContact C-N 3.34Å; Y85-G87 PolarHBondContact O-N 3.49Å; G87-A91 VanDerWaalsContact O-CB 3.22Å; G87-A91 WeakPolarHBondContact O-CB 3.37Å; G87-A91 PolarHBondContact O-N 2.92Å |
| 88 | L | 88.4 | Confident | 79.8 | Confident | 5 Ų | 5 | 38.9 Ų | 38.9 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.7 | -38.9 | 173.2 | -179.5 | 60.2 | 0 | 0 | 0 | 112.2 | V19 L22 F48 N84 Y85 A86 A91 L92 L120 | V19-L88 HydrophobicContact CG2-CB 4.36Å; L22-L88 HydrophobicContact CD1-CD1 3.81Å; F48-L88 HydrophobicContact CB-CD2 4.14Å; F48-L88 HydrophobicContact CD1-CD1 4.06Å; F48-L88 HydrophobicContact CD1-CD2 3.61Å; F48-L88 HydrophobicContact CD1-CG 4.47Å; F48-L88 HydrophobicContact CD2-CD1 3.71Å; F48-L88 HydrophobicContact CE1-CD1 4.03Å; F48-L88 HydrophobicContact CE1-CD2 4.08Å; F48-L88 HydrophobicContact CE2-CD1 3.69Å; F48-L88 HydrophobicContact CG-CD1 3.9Å; F48-L88 HydrophobicContact CG-CD2 3.85Å; F48-L88 HydrophobicContact CZ-CD1 3.85Å; N84-L88 PolarHBondContact O-N 3.19Å; Y85-L88 PolarHBondContact O-N 3.24Å; A86-L88 VanDerWaalsContact C-N 3.34Å; A86-L88 PolarHBondContact O-N 2.92Å; L88-A91 PolarHBondContact O-N 3.49Å; L88-L92 HydrophobicContact CG-CD1 4.33Å; L88-L92 WeakPolarHBondContact O-CB 3.23Å; L88-L92 WeakPolarHBondContact O-CG 3.28Å; L88-L92 PolarHBondContact O-N 3.19Å; L88-L120 HydrophobicContact CD2-CD1 4.06Å; L88-L120 HydrophobicContact CD2-CD2 4.42Å; L88-L120 HydrophobicContact CG-CD2 4.27Å |
| 89 | Y | 87.1 | Confident | 81.1 | Confident | 7 Ų | 7 | 33.6 Ų | 33.6 | 3% | 0.027 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.2 | -48.2 | 174.5 | 175.9 | -108.9 | 0 | 0 | 0 | 111.9 | Y85 A86 A91 L92 N93 L124 Q128 L132 N135 | Y85-Y89 PolarHBondContact O-N 3.26Å; A86-Y89 PolarHBondContact O-N 2.93Å; Y89-A91 VanDerWaalsContact C-N 3.35Å; Y89-A91 PolarHBondContact O-N 2.93Å; Y89-L92 WeakPolarHBondContact O-CB 3.32Å; Y89-L92 PolarHBondContact O-N 3.02Å; Y89-L92 VanDerWaalsContact O-N 3.14Å; Y89-N93 VanDerWaalsContact CE1-ND2 3.34Å; Y89-N93 WeakPolarHBondContact CE1-ND2 3.4Å; Y89-N93 PolarHBondContact O-N 3.22Å; Y89-L124 HydrophobicContact CD2-CD1 3.94Å; Y89-L124 HydrophobicContact CD2-CD2 3.87Å; Y89-L124 HydrophobicContact CE2-CD1 4.14Å; Y89-L124 HydrophobicContact CG-CD2 3.89Å; Y89-Q128 HydrophobicContact CD1-CB 4.18Å; Y89-Q128 HydrophobicContact CD1-CG 3.78Å; Y89-Q128 HydrophobicContact CE1-CB 3.92Å; Y89-Q128 HydrophobicContact CE1-CG 3.67Å; Y89-L132 HydrophobicContact CE2-CD1 3.87Å; Y89-N135 PolarHBondContact OH-ND2 3.42Å |
| 90 | N | 86.5 | Confident | 82 | Confident | 82 Ų | 82 | 34.6 Ų | 34.6 | 44% | 0.439 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.6 | -39.7 | 177.1 | -66.8 | -10.9 | 0 | 0 | 0 | 111.4 | A86 L92 N93 N94 | A86-N90 VanDerWaalsContact O-CG 3.31Å; A86-N90 PolarHBondContact O-N 3.3Å; N90-L92 VanDerWaalsContact C-N 3.32Å; N90-L92 PolarHBondContact O-N 3.27Å; N90-N93 PolarHBondContact O-N 3.08Å; N90-N94 PolarHBondContact O-N 3.41Å; N90-N94 PolarHBondContact O-OD1 2.94Å |
| 91 | A | 87.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.9 | -32.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V19 L22 G87 L88 Y89 I95 | V19-A91 HydrophobicContact CG1-CB 4.38Å; L22-A91 HydrophobicContact CB-CB 3.95Å; L22-A91 HydrophobicContact CD1-CB 4.16Å; G87-A91 VanDerWaalsContact O-CB 3.22Å; G87-A91 WeakPolarHBondContact O-CB 3.37Å; G87-A91 PolarHBondContact O-N 2.92Å; L88-A91 PolarHBondContact O-N 3.49Å; Y89-A91 VanDerWaalsContact C-N 3.35Å; Y89-A91 PolarHBondContact O-N 2.93Å; A91-I95 WeakPolarHBondContact O-CD1 3.26Å; A91-I95 WeakPolarHBondContact O-CG1 3.49Å; A91-I95 PolarHBondContact O-N 3.45Å |
| 92 | L | 87 | Confident | 83 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.3 | -41.7 | 172.9 | -81.5 | 165.7 | 0 | 0 | 0 | 112.2 | L45 L88 Y89 N90 I95 I96 I113 T116 L120 | L45-L92 HydrophobicContact CD2-CD2 3.68Å; L88-L92 HydrophobicContact CG-CD1 4.33Å; L88-L92 WeakPolarHBondContact O-CB 3.23Å; L88-L92 WeakPolarHBondContact O-CG 3.28Å; L88-L92 PolarHBondContact O-N 3.19Å; Y89-L92 WeakPolarHBondContact O-CB 3.32Å; Y89-L92 PolarHBondContact O-N 3.02Å; Y89-L92 VanDerWaalsContact O-N 3.14Å; N90-L92 VanDerWaalsContact C-N 3.32Å; N90-L92 PolarHBondContact O-N 3.27Å; L92-I95 PolarHBondContact O-N 3.19Å; L92-I96 WeakPolarHBondContact O-CG1 3.32Å; L92-I96 PolarHBondContact O-N 3.47Å; L92-I113 HydrophobicContact CD2-CG2 4.49Å; L92-T116 HydrophobicContact CD1-CG2 3.93Å; L92-T116 HydrophobicContact CD2-CG2 4.3Å; L92-L120 HydrophobicContact CD1-CD2 3.53Å |
| 93 | N | 85.4 | Confident | 83.4 | Confident | 38 Ų | 38 | 36.7 Ų | 36.7 | 20% | 0.203 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.4 | -46.1 | 174.4 | -65.3 | -23.5 | 0 | 0 | 0 | 110.6 | Y89 N90 I95 I96 D97 | Y89-N93 VanDerWaalsContact CE1-ND2 3.34Å; Y89-N93 WeakPolarHBondContact CE1-ND2 3.4Å; Y89-N93 PolarHBondContact O-N 3.22Å; N90-N93 PolarHBondContact O-N 3.08Å; N93-I95 VanDerWaalsContact C-N 3.25Å; N93-I95 PolarHBondContact O-N 3.07Å; N93-I96 WeakPolarHBondContact O-CA 3.18Å; N93-I96 WeakPolarHBondContact O-CB 3.42Å; N93-I96 PolarHBondContact O-N 3.42Å; N93-D97 PolarHBondContact O-N 3.41Å |
| 94 | N | 87.2 | Confident | 83.9 | Confident | 45 Ų | 45 | 38.8 Ų | 38.8 | 24% | 0.241 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.7 | -39.5 | 172.6 | -67.7 | -9.6 | 0 | 0 | 0 | 112.3 | N23 Y26 N90 I98 | N23-N94 PolarHBondContact OD1-ND2 3.3Å; N23-N94 VanDerWaalsContact OD1-ND2 3.15Å; Y26-N94 HydrophobicContact CD1-CB 4.43Å; Y26-N94 HydrophobicContact CD2-CB 3.64Å; Y26-N94 WeakPolarHBondContact CD2-O 3.38Å; Y26-N94 HydrophobicContact CE2-CB 4.02Å; Y26-N94 HydrophobicContact CG-CB 3.85Å; N90-N94 PolarHBondContact O-N 3.41Å; N90-N94 PolarHBondContact O-OD1 2.94Å; N94-I98 WeakPolarHBondContact O-CG1 3.29Å; N94-I98 PolarHBondContact O-N 3.37Å |
| 95 | I | 86 | Confident | 83.9 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.7 | -34.3 | 176 | -69.7 | 162 | 0 | 0 | 0 | 112.4 | L22 I41 L45 A91 L92 N93 I98 Y99 L109 I113 | L22-I95 HydrophobicContact CB-CD1 4.03Å; L22-I95 HydrophobicContact CD1-CD1 3.85Å; L22-I95 HydrophobicContact CD2-CD1 3.75Å; L22-I95 HydrophobicContact CG-CD1 4.06Å; I41-I95 HydrophobicContact CG2-CD1 3.99Å; I41-I95 HydrophobicContact CG2-CG1 4.46Å; I41-I95 HydrophobicContact CG2-CG2 4.12Å; L45-I95 HydrophobicContact CD2-CD1 4.49Å; A91-I95 WeakPolarHBondContact O-CD1 3.26Å; A91-I95 WeakPolarHBondContact O-CG1 3.49Å; A91-I95 PolarHBondContact O-N 3.45Å; L92-I95 PolarHBondContact O-N 3.19Å; N93-I95 VanDerWaalsContact C-N 3.25Å; N93-I95 PolarHBondContact O-N 3.07Å; I95-I98 WeakPolarHBondContact O-CG1 3.29Å; I95-Y99 PolarHBondContact O-N 2.88Å; I95-L109 HydrophobicContact CG2-CD1 4.28Å; I95-I113 HydrophobicContact CG2-CD1 3.88Å; I95-I113 HydrophobicContact CG2-CG1 4.36Å |
| 96 | I | 84.9 | Confident | 84 | Confident | 18 Ų | 18 | 38 Ų | 38 | 9% | 0.092 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.9 | -43.4 | 174.5 | -75 | 164.5 | 0 | 0 | 0 | 110 | L92 N93 I98 Y99 I113 L139 I142 | L92-I96 WeakPolarHBondContact O-CG1 3.32Å; L92-I96 PolarHBondContact O-N 3.47Å; N93-I96 WeakPolarHBondContact O-CA 3.18Å; N93-I96 WeakPolarHBondContact O-CB 3.42Å; N93-I96 PolarHBondContact O-N 3.42Å; I96-I98 VanDerWaalsContact C-N 3.3Å; I96-I98 PolarHBondContact O-N 2.94Å; I96-Y99 WeakPolarHBondContact O-CB 3.5Å; I96-Y99 PolarHBondContact O-N 3.1Å; I96-I113 HydrophobicContact CD1-CG2 4Å; I96-I113 HydrophobicContact CG1-CD1 4.42Å; I96-I113 HydrophobicContact CG1-CG2 3.97Å; I96-L139 HydrophobicContact CB-CD2 4.27Å; I96-L139 HydrophobicContact CD1-CD1 4.24Å; I96-L139 HydrophobicContact CD1-CD2 4.07Å; I96-L139 HydrophobicContact CG1-CD2 3.94Å; I96-L139 HydrophobicContact CG2-CD2 3.4Å; I96-I142 HydrophobicContact CG2-CD1 4.36Å |
| 97 | D | 83 | Confident | 84.2 | Confident | 104 Ų | 104 | 40.7 Ų | 40.7 | 56% | 0.556 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -63.6 | -35 | -179.5 | -63.2 | -26.5 | 0 | 0 | 0 | 112.3 | N93 | N93-D97 PolarHBondContact O-N 3.41Å |
| 98 | I | 83.5 | Confident | 84.4 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -1.9 | 174 | 64.6 | 165.9 | 0 | 0 | 0 | 114.2 | Y26 V29 T30 N94 I95 I96 P100 L101 V102 | Y26-I98 HydrophobicContact CD2-CG2 3.57Å; Y26-I98 HydrophobicContact CE2-CG2 3.76Å; V29-I98 HydrophobicContact CB-CD1 4.11Å; V29-I98 HydrophobicContact CB-CG2 4.38Å; V29-I98 HydrophobicContact CG1-CB 3.96Å; V29-I98 HydrophobicContact CG1-CD1 4.38Å; V29-I98 HydrophobicContact CG1-CG2 4Å; V29-I98 HydrophobicContact CG2-CD1 4.01Å; T30-I98 HydrophobicContact CG2-CG2 4.01Å; N94-I98 WeakPolarHBondContact O-CG1 3.29Å; N94-I98 PolarHBondContact O-N 3.37Å; I95-I98 WeakPolarHBondContact O-CG1 3.29Å; I96-I98 VanDerWaalsContact C-N 3.3Å; I96-I98 PolarHBondContact O-N 2.94Å; I98-P100 VanDerWaalsContact C-CD 3.46Å; I98-P100 VanDerWaalsContact C-N 3.35Å; I98-L101 HydrophobicContact CB-CD1 4.31Å; I98-L101 HydrophobicContact CG2-CD1 4.25Å; I98-L101 WeakPolarHBondContact O-CB 3.42Å; I98-L101 PolarHBondContact O-N 3.08Å; I98-V102 PolarHBondContact O-N 3.05Å |
| 99 | Y | 85.7 | Confident | 84.4 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -53.5 | -43 | -176.5 | 176.7 | -87.1 | 0 | 0 | 0 | 113.3 | I95 I96 L101 V102 Q106 L109 I113 I142 Y143 P144 | I95-Y99 PolarHBondContact O-N 2.88Å; I96-Y99 WeakPolarHBondContact O-CB 3.5Å; I96-Y99 PolarHBondContact O-N 3.1Å; Y99-L101 PolarHBondContact O-N 3.12Å; Y99-V102 PolarHBondContact O-N 2.95Å; Y99-Q106 HydrophobicContact CE2-CB 4.32Å; Y99-Q106 WeakPolarHBondContact CE2-O 3.3Å; Y99-Q106 PolarHBondContact O-NE2 3.37Å; Y99-Q106 PolarHBondContact OH-O 2.86Å; Y99-L109 HydrophobicContact CD2-CD2 4.01Å; Y99-L109 HydrophobicContact CD2-CG 4.1Å; Y99-L109 HydrophobicContact CE2-CB 4.33Å; Y99-L109 HydrophobicContact CE2-CD2 4.47Å; Y99-L109 HydrophobicContact CE2-CG 4.29Å; Y99-I113 HydrophobicContact CD2-CD1 4.11Å; Y99-I142 HydrophobicContact CD1-CG2 4.09Å; Y99-Y143 AromaticContact CD1-CD1 3.69Å; Y99-Y143 HydrophobicContact CD1-CD1 3.69Å; Y99-Y143 AromaticContact CD1-CE1 3.76Å; Y99-Y143 HydrophobicContact CD1-CE1 3.76Å; Y99-Y143 HydrophobicContact CD2-CD1 4.32Å; Y99-Y143 AromaticContact CD2-CE1 3.67Å; Y99-Y143 HydrophobicContact CD2-CE1 3.67Å; Y99-Y143 AromaticContact CE1-CD1 3.42Å; Y99-Y143 HydrophobicContact CE1-CD1 3.42Å; Y99-Y143 VanDerWaalsContact CE1-CD1 3.42Å; Y99-Y143 AromaticContact CE1-CE1 3.8Å; Y99-Y143 HydrophobicContact CE1-CE1 3.8Å; Y99-Y143 HydrophobicContact CE1-CG 4.31Å; Y99-Y143 HydrophobicContact CE2-CD1 4.07Å; Y99-Y143 AromaticContact CE2-CE1 3.69Å; Y99-Y143 HydrophobicContact CE2-CE1 3.69Å; Y99-Y143 HydrophobicContact CG-CD1 4.14Å; Y99-Y143 AromaticContact CG-CE1 3.7Å; Y99-Y143 HydrophobicContact CG-CE1 3.7Å; Y99-Y143 AromaticContact CZ-CD1 3.61Å; Y99-Y143 AromaticContact CZ-CE1 3.74Å; Y99-P144 VanDerWaalsContact OH-CD 3.27Å; Y99-P144 WeakPolarHBondContact OH-CD 3.4Å |
| 100 | P | 80.7 | Confident | 84.5 | Confident | 76 Ų | 76 | 41.4 Ų | 41.4 | 49% | 0.494 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -59.7 | -31.4 | 174.8 | -25.7 | 36.7 | 0 | 0 | 0 | 114.3 | I98 V102 Q106 I142 | I98-P100 VanDerWaalsContact C-CD 3.46Å; I98-P100 VanDerWaalsContact C-N 3.35Å; P100-V102 VanDerWaalsContact C-N 3.33Å; P100-Q106 PolarHBondContact O-NE2 3.49Å; P100-I142 HydrophobicContact CG-CG2 3.49Å; P100-I142 VanDerWaalsContact CG-CG2 3.49Å |
| 101 | L | 81.9 | Confident | 84.6 | Confident | 91 Ų | 91 | 40.4 Ų | 40.4 | 48% | 0.476 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -78 | -19.1 | -176.3 | -56.7 | 173.5 | 0 | 0 | 0 | 112.4 | V29 L35 I98 Y99 T103 | V29-L101 HydrophobicContact CG1-CB 3.85Å; V29-L101 HydrophobicContact CG1-CD1 3.75Å; V29-L101 HydrophobicContact CG1-CG 4.47Å; L35-L101 WeakPolarHBondContact CD2-O 3.27Å; I98-L101 HydrophobicContact CB-CD1 4.31Å; I98-L101 HydrophobicContact CG2-CD1 4.25Å; I98-L101 WeakPolarHBondContact O-CB 3.42Å; I98-L101 PolarHBondContact O-N 3.08Å; Y99-L101 PolarHBondContact O-N 3.12Å; L101-T103 PolarHBondContact O-N 3.45Å; L101-T103 VanDerWaalsContact O-N 3.14Å |
| 102 | V | 77.9 | Confident | 84.7 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | trans | -74.9 | 102.7 | 178.6 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | I41 I98 Y99 P100 T104 Q106 L109 | I41-V102 HydrophobicContact CD1-CG2 4.41Å; I98-V102 PolarHBondContact O-N 3.05Å; Y99-V102 PolarHBondContact O-N 2.95Å; P100-V102 VanDerWaalsContact C-N 3.33Å; V102-T104 WeakPolarHBondContact CG1-O 3.44Å; V102-T104 PolarHBondContact O-N 3.16Å; V102-Q106 WeakPolarHBondContact O-CG 3.39Å; V102-Q106 PolarHBondContact O-NE2 3.37Å; V102-L109 HydrophobicContact CB-CD2 4.2Å; V102-L109 HydrophobicContact CG1-CD2 4.05Å; V102-L109 HydrophobicContact CG2-CD2 3.94Å | ||
| 103 | T | 78 | Confident | 84.9 | Confident | 117 Ų | 117 | 40.5 Ų | 40.5 | 72% | 0.718 | 24% | 0.239 | S | C | * | . | trans | -74.3 | -21.3 | -175.8 | 57.1 | 0 | 0 | 0 | 0 | 114.7 | L101 | L101-T103 PolarHBondContact O-N 3.45Å; L101-T103 VanDerWaalsContact O-N 3.14Å | ||
| 104 | T | 82.5 | Confident | 85.1 | Confident | 72 Ų | 72 | 39 Ų | 39 | 44% | 0.442 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -125.9 | 126.7 | -174.8 | 52.5 | 0 | 0 | 0 | 0 | 112.4 | S37 G38 V102 | S37-T104 WeakPolarHBondContact CB-OG1 3.35Å; G38-T104 VanDerWaalsContact CA-O 3.3Å; G38-T104 WeakPolarHBondContact CA-O 3.49Å; G38-T104 PolarHBondContact N-O 3.22Å; V102-T104 WeakPolarHBondContact CG1-O 3.44Å; V102-T104 PolarHBondContact O-N 3.16Å |
| 105 | G | 81 | Confident | 85.2 | Confident | 32 Ų | 32 | 40.2 Ų | 40.2 | 33% | 0.33 | 24% | 0.237 | S | C | . | . | trans | 85.4 | 16.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | L107 A108 L109 | G105-L107 PolarHBondContact O-N 3.08Å; G105-A108 PolarHBondContact O-N 3Å; G105-A108 VanDerWaalsContact O-N 3.07Å; G105-L109 PolarHBondContact O-N 2.82Å | ||
| 106 | Q | 84.5 | Confident | 85.4 | Confident | 62 Ų | 62 | 40.2 Ų | 40.2 | 29% | 0.29 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -47.5 | -53.1 | -177.8 | -73.2 | -171.5 | -15.7 | 0 | 0 | 114.3 | Y99 P100 V102 A108 L109 G110 | Y99-Q106 HydrophobicContact CE2-CB 4.32Å; Y99-Q106 WeakPolarHBondContact CE2-O 3.3Å; Y99-Q106 PolarHBondContact O-NE2 3.37Å; Y99-Q106 PolarHBondContact OH-O 2.86Å; P100-Q106 PolarHBondContact O-NE2 3.49Å; V102-Q106 WeakPolarHBondContact O-CG 3.39Å; V102-Q106 PolarHBondContact O-NE2 3.37Å; Q106-A108 VanDerWaalsContact C-N 3.26Å; Q106-A108 PolarHBondContact O-N 3.27Å; Q106-L109 CarbonylContact O-C 3.4Å; Q106-L109 WeakPolarHBondContact O-CA 3.09Å; Q106-L109 WeakPolarHBondContact O-CB 2.95Å; Q106-L109 PolarHBondContact O-N 3.46Å; Q106-G110 PolarHBondContact O-N 2.99Å |
| 107 | L | 85.8 | Confident | 85.5 | Confident | 84 Ų | 84 | 39.8 Ų | 39.8 | 44% | 0.44 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.2 | -37.2 | 180 | -73.9 | 170.5 | 0 | 0 | 0 | 113.5 | G105 N111 P144 E146 L147 | G105-L107 PolarHBondContact O-N 3.08Å; L107-N111 WeakPolarHBondContact O-CB 3.46Å; L107-N111 PolarHBondContact O-N 3.04Å; L107-N111 PolarHBondContact O-ND2 3.03Å; L107-P144 HydrophobicContact CD2-CB 4.4Å; L107-P144 HydrophobicContact CD2-CG 3.47Å; L107-P144 VanDerWaalsContact CD2-CG 3.47Å; L107-P144 HydrophobicContact CG-CG 4.34Å; L107-E146 HydrophobicContact CD2-CB 3.93Å; L107-L147 HydrophobicContact CD2-CD1 4.48Å; L107-L147 HydrophobicContact CD2-CD2 4.32Å; L107-L147 HydrophobicContact CD2-CG 4.07Å |
| 108 | A | 87.9 | Confident | 85.7 | Confident | 41 Ų | 41 | 36.5 Ų | 36.5 | 34% | 0.339 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -74 | -35.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L39 V42 G105 Q106 A112 | L39-A108 HydrophobicContact CD2-CB 4.5Å; V42-A108 HydrophobicContact CG2-CB 4.31Å; G105-A108 PolarHBondContact O-N 3Å; G105-A108 VanDerWaalsContact O-N 3.07Å; Q106-A108 VanDerWaalsContact C-N 3.26Å; Q106-A108 PolarHBondContact O-N 3.27Å; A108-A112 VanDerWaalsContact O-CB 3.22Å; A108-A112 WeakPolarHBondContact O-CB 3.25Å; A108-A112 PolarHBondContact O-N 3.45Å |
| 109 | L | 89.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.7 | -46.7 | 174.1 | 179.3 | 58.4 | 0 | 0 | 0 | 111.9 | I41 V42 L45 I95 Y99 V102 G105 Q106 A112 I113 | I41-L109 HydrophobicContact CB-CD1 3.94Å; I41-L109 HydrophobicContact CD1-CD2 4.46Å; I41-L109 HydrophobicContact CG2-CD1 3.59Å; V42-L109 VanDerWaalsContact CG2-CA 3.47Å; V42-L109 HydrophobicContact CG2-CB 4.03Å; V42-L109 HydrophobicContact CG2-CD1 4.21Å; L45-L109 HydrophobicContact CD1-CD1 3.93Å; I95-L109 HydrophobicContact CG2-CD1 4.28Å; Y99-L109 HydrophobicContact CD2-CD2 4.01Å; Y99-L109 HydrophobicContact CD2-CG 4.1Å; Y99-L109 HydrophobicContact CE2-CB 4.33Å; Y99-L109 HydrophobicContact CE2-CD2 4.47Å; Y99-L109 HydrophobicContact CE2-CG 4.29Å; V102-L109 HydrophobicContact CB-CD2 4.2Å; V102-L109 HydrophobicContact CG1-CD2 4.05Å; V102-L109 HydrophobicContact CG2-CD2 3.94Å; G105-L109 PolarHBondContact O-N 2.82Å; Q106-L109 CarbonylContact O-C 3.4Å; Q106-L109 WeakPolarHBondContact O-CA 3.09Å; Q106-L109 WeakPolarHBondContact O-CB 2.95Å; Q106-L109 PolarHBondContact O-N 3.46Å; L109-A112 CarbonylContact O-C 3.5Å; L109-A112 WeakPolarHBondContact O-CA 3.18Å; L109-A112 WeakPolarHBondContact O-CB 3.39Å; L109-A112 PolarHBondContact O-N 2.84Å; L109-A112 VanDerWaalsContact O-N 3.12Å; L109-I113 HydrophobicContact CD1-CD1 4.05Å; L109-I113 HydrophobicContact CD1-CG1 4.26Å; L109-I113 HydrophobicContact CG-CD1 3.91Å; L109-I113 VanDerWaalsContact O-CG1 3.3Å; L109-I113 WeakPolarHBondContact O-CG1 3.23Å; L109-I113 PolarHBondContact O-N 3.37Å |
| 110 | G | 88.8 | Confident | 86 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.2 | -48.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q106 A112 I113 L114 | Q106-G110 PolarHBondContact O-N 2.99Å; G110-A112 VanDerWaalsContact C-N 3.29Å; G110-A112 PolarHBondContact O-N 2.94Å; G110-I113 PolarHBondContact O-N 3.39Å; G110-I113 VanDerWaalsContact O-N 3.09Å; G110-L114 WeakPolarHBondContact O-CG 3.42Å; G110-L114 PolarHBondContact O-N 3.03Å |
| 111 | N | 89.2 | Confident | 86.1 | Confident | 60 Ų | 60 | 33.4 Ų | 33.4 | 32% | 0.321 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57.7 | -39.7 | 170.6 | -90.6 | -50.7 | 0 | 0 | 0 | 112.9 | L107 N115 L147 | L107-N111 WeakPolarHBondContact O-CB 3.46Å; L107-N111 PolarHBondContact O-N 3.04Å; L107-N111 PolarHBondContact O-ND2 3.03Å; N111-N115 VanDerWaalsContact O-CB 3.3Å; N111-N115 WeakPolarHBondContact O-CB 3.47Å; N111-N115 VanDerWaalsContact O-CG 3.24Å; N111-N115 PolarHBondContact O-N 3.21Å; N111-N115 PolarHBondContact O-ND2 2.9Å; N111-N115 VanDerWaalsContact O-ND2 3.12Å; N111-L147 HydrophobicContact CB-CD2 4.45Å; N111-L147 WeakPolarHBondContact ND2-CD2 3.19Å |
| 112 | A | 88.5 | Confident | 86 | Confident | 5 Ų | 5 | 29.3 Ų | 29.3 | 4% | 0.041 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.2 | -36.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V42 L45 Q49 A108 L109 G110 T116 | V42-A112 HydrophobicContact CB-CB 4.44Å; V42-A112 HydrophobicContact CG1-CB 4.24Å; V42-A112 HydrophobicContact CG2-CB 3.99Å; L45-A112 HydrophobicContact CB-CB 4.2Å; L45-A112 HydrophobicContact CD1-CB 3.98Å; Q49-A112 PolarHBondContact NE2-O 3.07Å; A108-A112 VanDerWaalsContact O-CB 3.22Å; A108-A112 WeakPolarHBondContact O-CB 3.25Å; A108-A112 PolarHBondContact O-N 3.45Å; L109-A112 CarbonylContact O-C 3.5Å; L109-A112 WeakPolarHBondContact O-CA 3.18Å; L109-A112 WeakPolarHBondContact O-CB 3.39Å; L109-A112 PolarHBondContact O-N 2.84Å; L109-A112 VanDerWaalsContact O-N 3.12Å; G110-A112 VanDerWaalsContact C-N 3.29Å; G110-A112 PolarHBondContact O-N 2.94Å; A112-T116 WeakPolarHBondContact O-CB 3.21Å; A112-T116 PolarHBondContact O-N 2.99Å; A112-T116 PolarHBondContact O-OG1 3.26Å |
| 113 | I | 90.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.2 | -51.4 | 175 | -67.8 | 159.6 | 0 | 0 | 0 | 109.8 | L45 L92 I95 I96 Y99 L109 G110 N115 T116 V117 Y143 | L45-I113 HydrophobicContact CD1-CG1 3.81Å; L92-I113 HydrophobicContact CD2-CG2 4.49Å; I95-I113 HydrophobicContact CG2-CD1 3.88Å; I95-I113 HydrophobicContact CG2-CG1 4.36Å; I96-I113 HydrophobicContact CD1-CG2 4Å; I96-I113 HydrophobicContact CG1-CD1 4.42Å; I96-I113 HydrophobicContact CG1-CG2 3.97Å; Y99-I113 HydrophobicContact CD2-CD1 4.11Å; L109-I113 HydrophobicContact CD1-CD1 4.05Å; L109-I113 HydrophobicContact CD1-CG1 4.26Å; L109-I113 HydrophobicContact CG-CD1 3.91Å; L109-I113 VanDerWaalsContact O-CG1 3.3Å; L109-I113 WeakPolarHBondContact O-CG1 3.23Å; L109-I113 PolarHBondContact O-N 3.37Å; G110-I113 PolarHBondContact O-N 3.39Å; G110-I113 VanDerWaalsContact O-N 3.09Å; I113-N115 PolarHBondContact O-N 3.02Å; I113-T116 PolarHBondContact O-N 2.97Å; I113-T116 VanDerWaalsContact O-N 3.08Å; I113-V117 HydrophobicContact CG2-CG2 4.34Å; I113-V117 WeakPolarHBondContact O-CG2 3.48Å; I113-V117 PolarHBondContact O-N 3.14Å; I113-Y143 VanDerWaalsContact CB-OH 3.3Å; I113-Y143 WeakPolarHBondContact CB-OH 3.45Å; I113-Y143 VanDerWaalsContact CD1-OH 3.26Å; I113-Y143 WeakPolarHBondContact CD1-OH 3.29Å; I113-Y143 VanDerWaalsContact CG2-OH 3.28Å; I113-Y143 WeakPolarHBondContact CG2-OH 3.38Å |
| 114 | L | 89.6 | Confident | 86.2 | Confident | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.026 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.8 | -47.9 | 178 | -62.1 | -178.8 | 0 | 0 | 0 | 112 | G110 T116 V117 Q118 L136 L139 Y143 D150 V151 L154 | G110-L114 WeakPolarHBondContact O-CG 3.42Å; G110-L114 PolarHBondContact O-N 3.03Å; L114-T116 VanDerWaalsContact C-N 3.33Å; L114-T116 PolarHBondContact O-N 3.01Å; L114-V117 PolarHBondContact O-N 2.85Å; L114-Q118 WeakPolarHBondContact O-CB 3.31Å; L114-Q118 PolarHBondContact O-N 3.44Å; L114-L136 HydrophobicContact CD2-CD2 3.41Å; L114-L136 VanDerWaalsContact CD2-CD2 3.41Å; L114-L139 HydrophobicContact CD2-CD1 4.01Å; L114-Y143 HydrophobicContact CD1-CE2 4.4Å; L114-Y143 HydrophobicContact CD2-CE2 4.01Å; L114-Y143 HydrophobicContact CG-CE2 4.05Å; L114-D150 HydrophobicContact CD1-CB 4.01Å; L114-V151 HydrophobicContact CD1-CG2 3.91Å; L114-V151 HydrophobicContact CD2-CG2 3.92Å; L114-L154 HydrophobicContact CB-CD2 4.34Å; L114-L154 HydrophobicContact CD2-CD2 4.28Å |
| 115 | N | 88.7 | Confident | 85.8 | Confident | 72 Ų | 72 | 25.3 Ų | 25.3 | 39% | 0.385 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -66.2 | -34.1 | 177.8 | -71 | -29.2 | 0 | 0 | 0 | 112.4 | N111 I113 C119 | N111-N115 VanDerWaalsContact O-CB 3.3Å; N111-N115 WeakPolarHBondContact O-CB 3.47Å; N111-N115 VanDerWaalsContact O-CG 3.24Å; N111-N115 PolarHBondContact O-N 3.21Å; N111-N115 PolarHBondContact O-ND2 2.9Å; N111-N115 VanDerWaalsContact O-ND2 3.12Å; I113-N115 PolarHBondContact O-N 3.02Å; N115-C119 PolarHBondContact O-N 3.2Å; N115-C119 PolarHBondContact O-SG 3.17Å |
| 116 | T | 90.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.1 | -42.2 | 174.4 | -50.8 | 0 | 0 | 0 | 0 | 110.8 | L45 F48 Q49 L92 A112 I113 L114 C119 L120 | L45-T116 HydrophobicContact CD2-CG2 4.47Å; F48-T116 HydrophobicContact CB-CG2 4.38Å; Q49-T116 PolarHBondContact NE2-OG1 3.14Å; L92-T116 HydrophobicContact CD1-CG2 3.93Å; L92-T116 HydrophobicContact CD2-CG2 4.3Å; A112-T116 WeakPolarHBondContact O-CB 3.21Å; A112-T116 PolarHBondContact O-N 2.99Å; A112-T116 PolarHBondContact O-OG1 3.26Å; I113-T116 PolarHBondContact O-N 2.97Å; I113-T116 VanDerWaalsContact O-N 3.08Å; L114-T116 VanDerWaalsContact C-N 3.33Å; L114-T116 PolarHBondContact O-N 3.01Å; T116-C119 CarbonylContact O-C 3.43Å; T116-C119 PolarHBondContact O-N 3.34Å; T116-C119 VanDerWaalsContact O-N 3.15Å; T116-L120 WeakPolarHBondContact O-CB 3.43Å; T116-L120 PolarHBondContact O-N 3.26Å |
| 117 | V | 87.9 | Confident | 84.8 | Confident | 9 Ų | 9 | 32.6 Ų | 32.6 | 6% | 0.055 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.5 | -42.6 | 175.2 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | I113 L114 C119 L120 Y121 L132 L136 L154 | I113-V117 HydrophobicContact CG2-CG2 4.34Å; I113-V117 WeakPolarHBondContact O-CG2 3.48Å; I113-V117 PolarHBondContact O-N 3.14Å; L114-V117 PolarHBondContact O-N 2.85Å; V117-C119 VanDerWaalsContact C-N 3.28Å; V117-C119 PolarHBondContact O-N 3.04Å; V117-L120 PolarHBondContact O-N 3.1Å; V117-L120 VanDerWaalsContact O-N 3.09Å; V117-Y121 PolarHBondContact O-N 3.2Å; V117-L132 HydrophobicContact CG1-CD1 3.77Å; V117-L132 HydrophobicContact CG1-CD2 3.74Å; V117-L132 HydrophobicContact CG1-CG 4.01Å; V117-L136 HydrophobicContact CG1-CD1 3.7Å; V117-L154 HydrophobicContact CG1-CD2 4.39Å |
| 118 | Q | 87 | Confident | 84.4 | Confident | 35 Ų | 35 | 29.8 Ų | 29.8 | 16% | 0.164 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.9 | -32.9 | 173.7 | -167.6 | 179.9 | -3.5 | 0 | 0 | 112.4 | L114 Y121 L154 A313 | L114-Q118 WeakPolarHBondContact O-CB 3.31Å; L114-Q118 PolarHBondContact O-N 3.44Å; Q118-Y121 WeakPolarHBondContact O-CD1 3.45Å; Q118-Y121 VanDerWaalsContact O-CE1 3.28Å; Q118-Y121 WeakPolarHBondContact O-CE1 3.46Å; Q118-L154 HydrophobicContact CB-CD1 3.7Å; Q118-L154 HydrophobicContact CG-CD1 3.72Å; Q118-A313 HydrophobicContact CG-CB 4.39Å; Q118-A313 WeakPolarHBondContact O-CB 3.48Å |
| 119 | C | 87.5 | Confident | 83.6 | Confident | 10 Ų | 10 | 28.2 Ų | 28.2 | 7% | 0.068 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -76.3 | -30.7 | 171.5 | -64.8 | 0 | 0 | 0 | 0 | 112.8 | L52 N115 T116 V117 F123 | L52-C119 HydrophobicContact CB-CB 4.05Å; L52-C119 HydrophobicContact CD1-CB 3.92Å; N115-C119 PolarHBondContact O-N 3.2Å; N115-C119 PolarHBondContact O-SG 3.17Å; T116-C119 CarbonylContact O-C 3.43Å; T116-C119 PolarHBondContact O-N 3.34Å; T116-C119 VanDerWaalsContact O-N 3.15Å; V117-C119 VanDerWaalsContact C-N 3.28Å; V117-C119 PolarHBondContact O-N 3.04Å; C119-F123 WeakPolarHBondContact O-CD2 3.05Å; C119-F123 WeakPolarHBondContact O-CE2 3.47Å |
| 120 | L | 86.7 | Confident | 82.8 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -88.2 | -29.7 | -169.5 | -175.6 | 63.5 | 0 | 0 | 0 | 114.1 | L52 Y85 L88 L92 T116 V117 L122 F123 L124 | L52-L120 HydrophobicContact CD1-CB 4.2Å; L52-L120 HydrophobicContact CD1-CD1 4.15Å; Y85-L120 HydrophobicContact CD1-CD1 4.26Å; L88-L120 HydrophobicContact CD2-CD1 4.06Å; L88-L120 HydrophobicContact CD2-CD2 4.42Å; L88-L120 HydrophobicContact CG-CD2 4.27Å; L92-L120 HydrophobicContact CD1-CD2 3.53Å; T116-L120 WeakPolarHBondContact O-CB 3.43Å; T116-L120 PolarHBondContact O-N 3.26Å; V117-L120 PolarHBondContact O-N 3.1Å; V117-L120 VanDerWaalsContact O-N 3.09Å; L120-L122 VanDerWaalsContact C-N 3.26Å; L120-L122 PolarHBondContact O-N 2.83Å; L120-L122 VanDerWaalsContact O-N 3.09Å; L120-F123 HydrophobicContact CD1-CB 4.21Å; L120-F123 WeakPolarHBondContact O-CA 3.45Å; L120-F123 WeakPolarHBondContact O-CB 3.46Å; L120-F123 PolarHBondContact O-N 3.1Å; L120-L124 HydrophobicContact CD1-CD2 4.32Å; L120-L124 HydrophobicContact CD2-CD2 3.95Å; L120-L124 HydrophobicContact CG-CD2 3.77Å; L120-L124 HydrophobicContact CG-CG 4.17Å; L120-L124 PolarHBondContact O-N 2.87Å |
| 121 | Y | 84.2 | Confident | 82.1 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -57.4 | -33.1 | -168.2 | 83.2 | -83.4 | 0 | 0 | 0 | 114.6 | V117 Q118 F123 L124 L132 V158 L159 F162 A313 P314 | V117-Y121 PolarHBondContact O-N 3.2Å; Q118-Y121 WeakPolarHBondContact O-CD1 3.45Å; Q118-Y121 VanDerWaalsContact O-CE1 3.28Å; Q118-Y121 WeakPolarHBondContact O-CE1 3.46Å; Y121-F123 PolarHBondContact O-N 3Å; Y121-L124 PolarHBondContact O-N 3.45Å; Y121-L132 VanDerWaalsContact CB-CD2 3.49Å; Y121-V158 HydrophobicContact CE1-CG1 3.93Å; Y121-L159 HydrophobicContact CD1-CD2 4.26Å; Y121-L159 HydrophobicContact CD2-CD2 3.9Å; Y121-L159 HydrophobicContact CG-CD2 3.73Å; Y121-F162 AromaticContact CD2-CD1 3.78Å; Y121-F162 HydrophobicContact CD2-CD1 3.78Å; Y121-F162 HydrophobicContact CD2-CD2 4.44Å; Y121-F162 AromaticContact CD2-CE1 3.81Å; Y121-F162 HydrophobicContact CD2-CE1 3.81Å; Y121-F162 HydrophobicContact CD2-CE2 4.46Å; Y121-F162 HydrophobicContact CD2-CG 4.11Å; Y121-F162 HydrophobicContact CD2-CZ 4.16Å; Y121-F162 HydrophobicContact CE2-CB 4.34Å; Y121-F162 AromaticContact CE2-CD1 3.89Å; Y121-F162 HydrophobicContact CE2-CD1 3.89Å; Y121-F162 AromaticContact CE2-CD2 3.74Å; Y121-F162 HydrophobicContact CE2-CD2 3.74Å; Y121-F162 HydrophobicContact CE2-CE1 4.05Å; Y121-F162 AromaticContact CE2-CE2 3.91Å; Y121-F162 HydrophobicContact CE2-CE2 3.91Å; Y121-F162 AromaticContact CE2-CG 3.73Å; Y121-F162 HydrophobicContact CE2-CG 3.73Å; Y121-F162 HydrophobicContact CE2-CZ 4.06Å; Y121-A313 HydrophobicContact CE1-CB 4.49Å; Y121-P314 PolarHBondContact OH-O 3.25Å |
| 122 | L | 79.5 | Confident | 81.6 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -66.3 | -24.7 | 174.5 | -69.7 | 176.1 | 0 | 0 | 0 | 113 | L56 R76 L120 F162 P314 | L56-L122 HydrophobicContact CD2-CD1 4.33Å; R76-L122 PolarHBondContact NH2-O 3.07Å; L120-L122 VanDerWaalsContact C-N 3.26Å; L120-L122 PolarHBondContact O-N 2.83Å; L120-L122 VanDerWaalsContact O-N 3.09Å; L122-F162 HydrophobicContact CD2-CE2 3.9Å; L122-F162 HydrophobicContact CD2-CZ 4.22Å; L122-P314 HydrophobicContact CD1-CG 4.18Å |
| 123 | F | 79.9 | Confident | 80.8 | Confident | 6 Ų | 6 | 34.6 Ų | 34.6 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -92.9 | -11.8 | -177.3 | -58.3 | -92.2 | 0 | 0 | 0 | 113.5 | L52 I55 L56 R76 F80 Y85 C119 L120 Y121 | L52-F123 HydrophobicContact CB-CE2 4.18Å; L52-F123 HydrophobicContact CD2-CD1 4.31Å; L52-F123 HydrophobicContact CD2-CD2 3.87Å; L52-F123 HydrophobicContact CD2-CE1 4.31Å; L52-F123 HydrophobicContact CD2-CE2 3.88Å; L52-F123 HydrophobicContact CD2-CG 4.08Å; L52-F123 HydrophobicContact CD2-CZ 4.1Å; I55-F123 HydrophobicContact CB-CE1 4.42Å; I55-F123 HydrophobicContact CB-CZ 4.4Å; I55-F123 HydrophobicContact CG2-CE1 3.81Å; I55-F123 HydrophobicContact CG2-CZ 4.15Å; L56-F123 HydrophobicContact CD2-CE2 4Å; L56-F123 HydrophobicContact CD2-CZ 3.63Å; L56-F123 HydrophobicContact CG-CE2 4.2Å; L56-F123 HydrophobicContact CG-CZ 3.93Å; R76-F123 PolarHBondContact NH2-O 3.23Å; F80-F123 HydrophobicContact CD1-CD1 4.09Å; F80-F123 AromaticContact CD1-CE1 3.47Å; F80-F123 HydrophobicContact CD1-CE1 3.47Å; F80-F123 VanDerWaalsContact CD1-CE1 3.47Å; F80-F123 HydrophobicContact CD1-CZ 4.36Å; F80-F123 AromaticContact CD2-CD1 3.86Å; F80-F123 HydrophobicContact CD2-CD1 3.86Å; F80-F123 HydrophobicContact CD2-CE1 4.08Å; F80-F123 HydrophobicContact CE1-CD1 4.09Å; F80-F123 AromaticContact CE1-CE1 3.36Å; F80-F123 HydrophobicContact CE1-CE1 3.36Å; F80-F123 AromaticContact CE1-CZ 3.87Å; F80-F123 HydrophobicContact CE1-CZ 3.87Å; F80-F123 AromaticContact CE2-CD1 3.88Å; F80-F123 HydrophobicContact CE2-CD1 3.88Å; F80-F123 HydrophobicContact CE2-CE1 4Å; F80-F123 AromaticContact CG-CD1 3.94Å; F80-F123 HydrophobicContact CG-CD1 3.94Å; F80-F123 AromaticContact CG-CE1 3.81Å; F80-F123 HydrophobicContact CG-CE1 3.81Å; F80-F123 AromaticContact CZ-CD1 3.96Å; F80-F123 HydrophobicContact CZ-CD1 3.96Å; F80-F123 AromaticContact CZ-CE1 3.62Å; F80-F123 HydrophobicContact CZ-CE1 3.62Å; F80-F123 HydrophobicContact CZ-CZ 4.08Å; Y85-F123 HydrophobicContact CD1-CB 3.65Å; Y85-F123 HydrophobicContact CD1-CD1 4.22Å; Y85-F123 HydrophobicContact CD1-CG 4.15Å; Y85-F123 HydrophobicContact CE1-CB 3.94Å; Y85-F123 AromaticContact CE1-CD1 3.6Å; Y85-F123 HydrophobicContact CE1-CD1 3.6Å; Y85-F123 HydrophobicContact CE1-CE1 4.35Å; Y85-F123 AromaticContact CE1-CG 3.96Å; Y85-F123 HydrophobicContact CE1-CG 3.96Å; Y85-F123 HydrophobicContact CG-CB 4.01Å; Y85-F123 AromaticContact CZ-CD1 3.8Å; C119-F123 WeakPolarHBondContact O-CD2 3.05Å; C119-F123 WeakPolarHBondContact O-CE2 3.47Å; L120-F123 HydrophobicContact CD1-CB 4.21Å; L120-F123 WeakPolarHBondContact O-CA 3.45Å; L120-F123 WeakPolarHBondContact O-CB 3.46Å; L120-F123 PolarHBondContact O-N 3.1Å; Y121-F123 PolarHBondContact O-N 3Å |
| 124 | L | 79.1 | Confident | 79.8 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -72.2 | 153.4 | 176.2 | -61.1 | -178.4 | 0 | 0 | 0 | 113.7 | R76 Y89 L120 Y121 Q128 A129 L132 | R76-L124 VanDerWaalsContact CZ-O 3.22Å; R76-L124 PolarHBondContact NH1-O 2.85Å; R76-L124 PolarHBondContact NH2-O 2.98Å; R76-L124 VanDerWaalsContact NH2-O 3.07Å; Y89-L124 HydrophobicContact CD2-CD1 3.94Å; Y89-L124 HydrophobicContact CD2-CD2 3.87Å; Y89-L124 HydrophobicContact CE2-CD1 4.14Å; Y89-L124 HydrophobicContact CG-CD2 3.89Å; L120-L124 HydrophobicContact CD1-CD2 4.32Å; L120-L124 HydrophobicContact CD2-CD2 3.95Å; L120-L124 HydrophobicContact CG-CD2 3.77Å; L120-L124 HydrophobicContact CG-CG 4.17Å; L120-L124 PolarHBondContact O-N 2.87Å; Y121-L124 PolarHBondContact O-N 3.45Å; L124-Q128 HydrophobicContact CB-CB 4.09Å; L124-Q128 HydrophobicContact CD1-CB 4.28Å; L124-Q128 HydrophobicContact CD2-CB 4.46Å; L124-A129 HydrophobicContact CB-CB 4.33Å; L124-L132 HydrophobicContact CD1-CD1 4.19Å; L124-L132 HydrophobicContact CD1-CD2 4.09Å |
| 125 | E | 74.1 | Confident | 79.1 | Confident | 101 Ų | 101 | 40.5 Ų | 40.5 | 47% | 0.472 | 19% | 0.192 | S | C | . | . | trans | -69.6 | 166.2 | 167.1 | -72.5 | 169.4 | -143 | 0 | 0 | 111.8 | E127 Q128 A129 | E125-E127 PolarHBondContact O-N 3.39Å; E125-Q128 PolarHBondContact O-N 3.3Å; E125-A129 WeakPolarHBondContact O-CB 3.3Å; E125-A129 PolarHBondContact O-N 3.48Å | ||
| 126 | K | 71.1 | Confident | 78.5 | Confident | 101 Ų | 101 | 37.2 Ų | 37.2 | 44% | 0.439 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.4 | -46.3 | -171.9 | -172.4 | -174.9 | 173.1 | -91.3 | 0 | 113 | L70 A129 E130 | L70-K126 HydrophobicContact CB-CB 4.36Å; L70-K126 HydrophobicContact CB-CG 4.4Å; L70-K126 HydrophobicContact CD2-CB 3.85Å; L70-K126 HydrophobicContact CD2-CG 4.27Å; K126-A129 PolarHBondContact O-N 3.18Å; K126-E130 WeakPolarHBondContact CE-OE1 3.28Å; K126-E130 HydrophobicContact CG-CG 4.4Å; K126-E130 IonicContact NZ-OE1 3.93Å; K126-E130 PolarHBondContact NZ-OE1 3.37Å; K126-E130 IonicContact NZ-OE2 2.79Å; K126-E130 PolarHBondContact NZ-OE2 2.85Å; K126-E130 WeakPolarHBondContact O-CB 3.23Å; K126-E130 WeakPolarHBondContact O-CG 3.5Å; K126-E130 PolarHBondContact O-N 3.26Å |
| 127 | E | 73.5 | Confident | 77.4 | Confident | 145 Ų | 145 | 37.2 Ų | 37.2 | 68% | 0.678 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -67.4 | -43.2 | -176.5 | -61.3 | -177.4 | 174.5 | 0 | 0 | 111.2 | E125 A129 E130 Q131 | E125-E127 PolarHBondContact O-N 3.39Å; E127-A129 VanDerWaalsContact C-N 3.34Å; E127-A129 PolarHBondContact O-N 3.32Å; E127-E130 PolarHBondContact O-N 3.06Å; E127-Q131 VanDerWaalsContact O-CG 3.31Å; E127-Q131 WeakPolarHBondContact O-CG 3.45Å; E127-Q131 PolarHBondContact O-N 3.06Å |
| 128 | Q | 77.7 | Confident | 76.6 | Confident | 26 Ų | 26 | 38.2 Ų | 38.2 | 12% | 0.121 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.4 | -39.8 | 174.3 | -64.5 | 179.1 | -13.5 | 0 | 0 | 111.9 | Y89 L124 E125 L132 | Y89-Q128 HydrophobicContact CD1-CB 4.18Å; Y89-Q128 HydrophobicContact CD1-CG 3.78Å; Y89-Q128 HydrophobicContact CE1-CB 3.92Å; Y89-Q128 HydrophobicContact CE1-CG 3.67Å; L124-Q128 HydrophobicContact CB-CB 4.09Å; L124-Q128 HydrophobicContact CD1-CB 4.28Å; L124-Q128 HydrophobicContact CD2-CB 4.46Å; E125-Q128 PolarHBondContact O-N 3.3Å; Q128-L132 PolarHBondContact O-N 3.09Å; Q128-L132 VanDerWaalsContact O-N 3.14Å |
| 129 | A | 72.3 | Confident | 76.1 | Confident | 7 Ų | 7 | 36.7 Ų | 36.7 | 6% | 0.058 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.5 | -35.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L124 E125 K126 E127 L132 | L124-A129 HydrophobicContact CB-CB 4.33Å; E125-A129 WeakPolarHBondContact O-CB 3.3Å; E125-A129 PolarHBondContact O-N 3.48Å; K126-A129 PolarHBondContact O-N 3.18Å; E127-A129 VanDerWaalsContact C-N 3.34Å; E127-A129 PolarHBondContact O-N 3.32Å; A129-L132 PolarHBondContact O-N 3.09Å |
| 130 | E | 72.1 | Confident | 75.2 | Confident | 80 Ų | 80 | 36.6 Ų | 36.6 | 37% | 0.374 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -72.2 | -29.8 | 175.7 | -75.9 | -178.2 | 151.7 | 0 | 0 | 112.2 | K126 E127 P133 R167 | K126-E130 WeakPolarHBondContact CE-OE1 3.28Å; K126-E130 HydrophobicContact CG-CG 4.4Å; K126-E130 IonicContact NZ-OE1 3.93Å; K126-E130 PolarHBondContact NZ-OE1 3.37Å; K126-E130 IonicContact NZ-OE2 2.79Å; K126-E130 PolarHBondContact NZ-OE2 2.85Å; K126-E130 WeakPolarHBondContact O-CB 3.23Å; K126-E130 WeakPolarHBondContact O-CG 3.5Å; K126-E130 PolarHBondContact O-N 3.26Å; E127-E130 PolarHBondContact O-N 3.06Å; E130-P133 WeakPolarHBondContact O-CD 3.5Å; E130-R167 IonicContact OE1-NH2 3.91Å |
| 131 | Q | 74.6 | Confident | 74.3 | Confident | 102 Ų | 102 | 37.9 Ų | 37.9 | 48% | 0.477 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -78.1 | -22.6 | 172.9 | -70.7 | 173.4 | 1.8 | 0 | 0 | 113.6 | E127 P133 Y134 N135 | E127-Q131 VanDerWaalsContact O-CG 3.31Å; E127-Q131 WeakPolarHBondContact O-CG 3.45Å; E127-Q131 PolarHBondContact O-N 3.06Å; Q131-P133 VanDerWaalsContact C-CD 3.5Å; Q131-Y134 WeakPolarHBondContact O-CA 3.08Å; Q131-Y134 VanDerWaalsContact O-CB 3.29Å; Q131-Y134 WeakPolarHBondContact O-CB 3.38Å; Q131-Y134 PolarHBondContact O-N 3.15Å; Q131-N135 PolarHBondContact O-N 3.47Å; Q131-N135 VanDerWaalsContact O-N 3.09Å |
| 132 | L | 77.4 | Confident | 73.7 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.7 | -40.3 | -172.2 | -162.5 | 68.8 | 0 | 0 | 0 | 114.9 | Y89 V117 Y121 L124 Q128 A129 Y134 N135 L136 L159 | Y89-L132 HydrophobicContact CE2-CD1 3.87Å; V117-L132 HydrophobicContact CG1-CD1 3.77Å; V117-L132 HydrophobicContact CG1-CD2 3.74Å; V117-L132 HydrophobicContact CG1-CG 4.01Å; Y121-L132 VanDerWaalsContact CB-CD2 3.49Å; L124-L132 HydrophobicContact CD1-CD1 4.19Å; L124-L132 HydrophobicContact CD1-CD2 4.09Å; Q128-L132 PolarHBondContact O-N 3.09Å; Q128-L132 VanDerWaalsContact O-N 3.14Å; A129-L132 PolarHBondContact O-N 3.09Å; L132-Y134 VanDerWaalsContact C-N 3.32Å; L132-Y134 PolarHBondContact O-N 3.44Å; L132-N135 PolarHBondContact O-N 3.12Å; L132-L136 HydrophobicContact CG-CD1 4.35Å; L132-L136 WeakPolarHBondContact O-CB 3.1Å; L132-L136 PolarHBondContact O-N 2.93Å; L132-L159 HydrophobicContact CB-CD1 4.44Å; L132-L159 HydrophobicContact CD2-CD1 3.72Å; L132-L159 HydrophobicContact CD2-CD2 3.8Å; L132-L159 HydrophobicContact CD2-CG 4.44Å; L132-L159 HydrophobicContact CG-CD1 3.84Å |
| 133 | P | 73 | Confident | 73.8 | Confident | 10 Ų | 10 | 40.6 Ų | 40.6 | 7% | 0.065 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.2 | -33.2 | 174.5 | -19.9 | 32.5 | 0 | 0 | 0 | 113.4 | E130 Q131 A137 L155 L159 L160 T163 | E130-P133 WeakPolarHBondContact O-CD 3.5Å; Q131-P133 VanDerWaalsContact C-CD 3.5Å; P133-A137 WeakPolarHBondContact O-CB 3.36Å; P133-A137 PolarHBondContact O-N 3.36Å; P133-L155 HydrophobicContact CB-CD1 3.87Å; P133-L155 VanDerWaalsContact O-CD1 3.29Å; P133-L155 WeakPolarHBondContact O-CD1 3.28Å; P133-L159 HydrophobicContact CG-CB 4.27Å; P133-L160 HydrophobicContact CB-CD2 4.11Å; P133-L160 HydrophobicContact CG-CD2 4.49Å; P133-T163 HydrophobicContact CG-CG2 3.98Å |
| 134 | Y | 69.8 | Low | 73.7 | Confident | 84 Ų | 84 | 42 Ų | 42 | 33% | 0.329 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.6 | -54 | 174.1 | 179.3 | -69.4 | 0 | 0 | 0 | 109.4 | Q131 L132 L136 A137 C138 L182 | Q131-Y134 WeakPolarHBondContact O-CA 3.08Å; Q131-Y134 VanDerWaalsContact O-CB 3.29Å; Q131-Y134 WeakPolarHBondContact O-CB 3.38Å; Q131-Y134 PolarHBondContact O-N 3.15Å; L132-Y134 VanDerWaalsContact C-N 3.32Å; L132-Y134 PolarHBondContact O-N 3.44Å; Y134-L136 VanDerWaalsContact C-N 3.28Å; Y134-L136 PolarHBondContact O-N 3.2Å; Y134-A137 WeakPolarHBondContact O-CB 3.28Å; Y134-A137 PolarHBondContact O-N 3.13Å; Y134-A137 VanDerWaalsContact O-N 3.17Å; Y134-C138 VanDerWaalsContact CE1-SG 3.54Å; Y134-C138 PolarHBondContact O-N 2.7Å; Y134-C138 PolarHBondContact O-SG 2.89Å; Y134-C138 VanDerWaalsContact O-SG 3.39Å; Y134-L182 HydrophobicContact CD1-CD2 4.08Å; Y134-L182 HydrophobicContact CD2-CD1 3.77Å; Y134-L182 HydrophobicContact CD2-CD2 3.27Å; Y134-L182 HydrophobicContact CD2-CG 3.72Å; Y134-L182 HydrophobicContact CE1-CD2 4.25Å; Y134-L182 HydrophobicContact CE2-CD2 3.47Å; Y134-L182 VanDerWaalsContact CE2-CD2 3.47Å; Y134-L182 HydrophobicContact CE2-CG 4.13Å; Y134-L182 HydrophobicContact CG-CD1 4.09Å; Y134-L182 HydrophobicContact CG-CD2 3.56Å; Y134-L182 HydrophobicContact CG-CG 4.27Å |
| 135 | N | 75 | Confident | 73.1 | Confident | 45 Ų | 45 | 43.8 Ų | 43.8 | 24% | 0.241 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.7 | -34.6 | -176.3 | -64.1 | -12.4 | 0 | 0 | 0 | 112 | Y89 Q131 L132 C138 L139 | Y89-N135 PolarHBondContact OH-ND2 3.42Å; Q131-N135 PolarHBondContact O-N 3.47Å; Q131-N135 VanDerWaalsContact O-N 3.09Å; L132-N135 PolarHBondContact O-N 3.12Å; N135-C138 WeakPolarHBondContact O-CB 3.41Å; N135-C138 PolarHBondContact O-N 2.86Å; N135-L139 PolarHBondContact O-N 3.39Å |
| 136 | L | 76.3 | Confident | 73.2 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -74.4 | -36.2 | 174.5 | -102.1 | 158.7 | 0 | 0 | 0 | 114.3 | L114 V117 L132 Y134 C138 L139 V151 L154 L155 L159 | L114-L136 HydrophobicContact CD2-CD2 3.41Å; L114-L136 VanDerWaalsContact CD2-CD2 3.41Å; V117-L136 HydrophobicContact CG1-CD1 3.7Å; L132-L136 HydrophobicContact CG-CD1 4.35Å; L132-L136 WeakPolarHBondContact O-CB 3.1Å; L132-L136 PolarHBondContact O-N 2.93Å; Y134-L136 VanDerWaalsContact C-N 3.28Å; Y134-L136 PolarHBondContact O-N 3.2Å; L136-C138 VanDerWaalsContact C-N 3.27Å; L136-L139 HydrophobicContact CD2-CD1 3.83Å; L136-L139 HydrophobicContact CG-CD1 4.35Å; L136-L139 WeakPolarHBondContact O-CB 3.38Å; L136-L139 PolarHBondContact O-N 3.08Å; L136-L139 VanDerWaalsContact O-N 3.15Å; L136-V151 HydrophobicContact CD2-CG1 4.15Å; L136-V151 WeakPolarHBondContact O-CG1 3.3Å; L136-L154 HydrophobicContact CD1-CD2 3.57Å; L136-L154 HydrophobicContact CD1-CG 3.93Å; L136-L154 HydrophobicContact CD2-CD2 3.92Å; L136-L154 HydrophobicContact CG-CD2 4.44Å; L136-L155 HydrophobicContact CB-CD1 4.36Å; L136-L159 HydrophobicContact CD1-CD1 3.21Å |
| 137 | A | 67.6 | Low | 73.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.9 | -47.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | P133 Y134 L139 L140 L155 L182 T186 | P133-A137 WeakPolarHBondContact O-CB 3.36Å; P133-A137 PolarHBondContact O-N 3.36Å; Y134-A137 WeakPolarHBondContact O-CB 3.28Å; Y134-A137 PolarHBondContact O-N 3.13Å; Y134-A137 VanDerWaalsContact O-N 3.17Å; A137-L139 PolarHBondContact O-N 3.42Å; A137-L139 VanDerWaalsContact O-N 3.08Å; A137-L140 WeakPolarHBondContact O-CB 3.21Å; A137-L140 WeakPolarHBondContact O-CG 3.43Å; A137-L140 PolarHBondContact O-N 2.95Å; A137-L155 HydrophobicContact CB-CD2 4.34Å; A137-L182 HydrophobicContact CB-CB 4.22Å; A137-L182 HydrophobicContact CB-CD2 4.17Å; A137-T186 VanDerWaalsContact C-CG2 3.43Å; A137-T186 WeakPolarHBondContact O-CG2 3.43Å |
| 138 | C | 71 | Confident | 73.6 | Confident | 30 Ų | 30 | 33.3 Ų | 33.3 | 20% | 0.203 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.4 | -24.2 | 174.8 | -67.2 | 0 | 0 | 0 | 0 | 114.7 | Y134 N135 L136 L140 S141 | Y134-C138 VanDerWaalsContact CE1-SG 3.54Å; Y134-C138 PolarHBondContact O-N 2.7Å; Y134-C138 PolarHBondContact O-SG 2.89Å; Y134-C138 VanDerWaalsContact O-SG 3.39Å; N135-C138 WeakPolarHBondContact O-CB 3.41Å; N135-C138 PolarHBondContact O-N 2.86Å; L136-C138 VanDerWaalsContact C-N 3.27Å; C138-L140 PolarHBondContact O-N 3.48Å; C138-S141 PolarHBondContact O-N 3.28Å; C138-S141 PolarHBondContact O-OG 3.46Å |
| 139 | L | 75.4 | Confident | 73.2 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.7 | -24.3 | 172.2 | -67.4 | -178.3 | 0 | 0 | 0 | 113.4 | I96 L114 N135 L136 A137 S141 I142 Y143 | I96-L139 HydrophobicContact CB-CD2 4.27Å; I96-L139 HydrophobicContact CD1-CD1 4.24Å; I96-L139 HydrophobicContact CD1-CD2 4.07Å; I96-L139 HydrophobicContact CG1-CD2 3.94Å; I96-L139 HydrophobicContact CG2-CD2 3.4Å; L114-L139 HydrophobicContact CD2-CD1 4.01Å; N135-L139 PolarHBondContact O-N 3.39Å; L136-L139 HydrophobicContact CD2-CD1 3.83Å; L136-L139 HydrophobicContact CG-CD1 4.35Å; L136-L139 WeakPolarHBondContact O-CB 3.38Å; L136-L139 PolarHBondContact O-N 3.08Å; L136-L139 VanDerWaalsContact O-N 3.15Å; A137-L139 PolarHBondContact O-N 3.42Å; A137-L139 VanDerWaalsContact O-N 3.08Å; L139-S141 PolarHBondContact O-N 2.81Å; L139-S141 VanDerWaalsContact O-N 3.16Å; L139-I142 PolarHBondContact O-N 3.49Å; L139-I142 VanDerWaalsContact O-N 3.11Å; L139-Y143 HydrophobicContact CB-CD2 4.23Å; L139-Y143 HydrophobicContact CB-CE2 4.27Å; L139-Y143 HydrophobicContact CB-CG 4.37Å; L139-Y143 HydrophobicContact CD1-CE1 4.5Å; L139-Y143 HydrophobicContact CD1-CE2 3.91Å; L139-Y143 HydrophobicContact CD2-CD1 4.29Å; L139-Y143 HydrophobicContact CD2-CE1 3.76Å; L139-Y143 HydrophobicContact CG-CE2 4.48Å; L139-Y143 WeakPolarHBondContact O-CB 3.5Å; L139-Y143 PolarHBondContact O-N 3.5Å |
| 140 | L | 68.9 | Low | 73.4 | Confident | 8 Ų | 8 | 35.2 Ų | 35.2 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -17.9 | 168.8 | -61.9 | 175.8 | 0 | 0 | 0 | 112.4 | A137 C138 Y148 V151 L152 L183 T186 Y198 | A137-L140 WeakPolarHBondContact O-CB 3.21Å; A137-L140 WeakPolarHBondContact O-CG 3.43Å; A137-L140 PolarHBondContact O-N 2.95Å; C138-L140 PolarHBondContact O-N 3.48Å; L140-Y148 HydrophobicContact CD2-CD1 3.67Å; L140-Y148 HydrophobicContact CD2-CD2 4.05Å; L140-Y148 HydrophobicContact CD2-CE1 4.31Å; L140-Y148 HydrophobicContact CD2-CG 3.56Å; L140-Y148 PolarHBondContact O-OH 2.94Å; L140-V151 HydrophobicContact CD2-CB 3.76Å; L140-V151 HydrophobicContact CD2-CG1 3.63Å; L140-V151 HydrophobicContact CD2-CG2 4.28Å; L140-V151 HydrophobicContact CG-CB 4.47Å; L140-V151 HydrophobicContact CG-CG1 3.8Å; L140-L152 HydrophobicContact CD1-CD2 4.4Å; L140-L183 HydrophobicContact CD1-CD2 4.05Å; L140-T186 HydrophobicContact CB-CG2 4.36Å; L140-Y198 HydrophobicContact CD1-CD1 4.23Å; L140-Y198 HydrophobicContact CD1-CE1 4.44Å; L140-Y198 HydrophobicContact CD2-CE1 4.35Å |
| 141 | S | 67 | Low | 73.7 | Confident | 29 Ų | 29 | 31.4 Ų | 31.4 | 20% | 0.203 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -1.6 | 175.5 | 70.5 | 0 | 0 | 0 | 0 | 115.7 | C138 L139 | C138-S141 PolarHBondContact O-N 3.28Å; C138-S141 PolarHBondContact O-OG 3.46Å; L139-S141 PolarHBondContact O-N 2.81Å; L139-S141 VanDerWaalsContact O-N 3.16Å |
| 142 | I | 71.9 | Confident | 73.4 | Confident | 59 Ų | 59 | 26.9 Ų | 26.9 | 30% | 0.303 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.8 | -30.9 | -169 | -44.7 | 179.6 | 0 | 0 | 0 | 111.5 | I96 Y99 P100 L139 | I96-I142 HydrophobicContact CG2-CD1 4.36Å; Y99-I142 HydrophobicContact CD1-CG2 4.09Å; P100-I142 HydrophobicContact CG-CG2 3.49Å; P100-I142 VanDerWaalsContact CG-CG2 3.49Å; L139-I142 PolarHBondContact O-N 3.49Å; L139-I142 VanDerWaalsContact O-N 3.11Å |
| 143 | Y | 81.9 | Confident | 73.2 | Confident | 6 Ų | 6 | 31.8 Ų | 31.8 | 2% | 0.024 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -81.3 | 159.5 | -179.7 | -76.6 | 9.7 | 0 | 0 | 0 | 111.9 | Y99 I113 L114 L139 L147 Y148 V151 | Y99-Y143 AromaticContact CD1-CD1 3.69Å; Y99-Y143 HydrophobicContact CD1-CD1 3.69Å; Y99-Y143 AromaticContact CD1-CE1 3.76Å; Y99-Y143 HydrophobicContact CD1-CE1 3.76Å; Y99-Y143 HydrophobicContact CD2-CD1 4.32Å; Y99-Y143 AromaticContact CD2-CE1 3.67Å; Y99-Y143 HydrophobicContact CD2-CE1 3.67Å; Y99-Y143 AromaticContact CE1-CD1 3.42Å; Y99-Y143 HydrophobicContact CE1-CD1 3.42Å; Y99-Y143 VanDerWaalsContact CE1-CD1 3.42Å; Y99-Y143 AromaticContact CE1-CE1 3.8Å; Y99-Y143 HydrophobicContact CE1-CE1 3.8Å; Y99-Y143 HydrophobicContact CE1-CG 4.31Å; Y99-Y143 HydrophobicContact CE2-CD1 4.07Å; Y99-Y143 AromaticContact CE2-CE1 3.69Å; Y99-Y143 HydrophobicContact CE2-CE1 3.69Å; Y99-Y143 HydrophobicContact CG-CD1 4.14Å; Y99-Y143 AromaticContact CG-CE1 3.7Å; Y99-Y143 HydrophobicContact CG-CE1 3.7Å; Y99-Y143 AromaticContact CZ-CD1 3.61Å; Y99-Y143 AromaticContact CZ-CE1 3.74Å; I113-Y143 VanDerWaalsContact CB-OH 3.3Å; I113-Y143 WeakPolarHBondContact CB-OH 3.45Å; I113-Y143 VanDerWaalsContact CD1-OH 3.26Å; I113-Y143 WeakPolarHBondContact CD1-OH 3.29Å; I113-Y143 VanDerWaalsContact CG2-OH 3.28Å; I113-Y143 WeakPolarHBondContact CG2-OH 3.38Å; L114-Y143 HydrophobicContact CD1-CE2 4.4Å; L114-Y143 HydrophobicContact CD2-CE2 4.01Å; L114-Y143 HydrophobicContact CG-CE2 4.05Å; L139-Y143 HydrophobicContact CB-CD2 4.23Å; L139-Y143 HydrophobicContact CB-CE2 4.27Å; L139-Y143 HydrophobicContact CB-CG 4.37Å; L139-Y143 HydrophobicContact CD1-CE1 4.5Å; L139-Y143 HydrophobicContact CD1-CE2 3.91Å; L139-Y143 HydrophobicContact CD2-CD1 4.29Å; L139-Y143 HydrophobicContact CD2-CE1 3.76Å; L139-Y143 HydrophobicContact CG-CE2 4.48Å; L139-Y143 WeakPolarHBondContact O-CB 3.5Å; L139-Y143 PolarHBondContact O-N 3.5Å; Y143-L147 HydrophobicContact CD2-CB 3.98Å; Y143-L147 HydrophobicContact CD2-CD1 3.47Å; Y143-L147 VanDerWaalsContact CD2-CD1 3.47Å; Y143-L147 HydrophobicContact CD2-CG 4.37Å; Y143-L147 HydrophobicContact CE2-CD1 3.98Å; Y143-L147 HydrophobicContact CG-CD1 3.92Å; Y143-Y148 WeakPolarHBondContact O-CE1 3.45Å; Y143-Y148 VanDerWaalsContact O-CZ 3.25Å; Y143-Y148 PolarHBondContact O-OH 2.91Å; Y143-V151 HydrophobicContact CD2-CG2 4.2Å |
| 144 | P | 79.1 | Confident | 73.5 | Confident | 36 Ų | 36 | 31.7 Ų | 31.7 | 23% | 0.234 | 16% | 0.16 | C | C | . | . | trans | -73.8 | 155.9 | 168 | 32.9 | -37.9 | 0 | 0 | 0 | 111.6 | Y99 L107 E146 L147 Y148 | Y99-P144 VanDerWaalsContact OH-CD 3.27Å; Y99-P144 WeakPolarHBondContact OH-CD 3.4Å; L107-P144 HydrophobicContact CD2-CB 4.4Å; L107-P144 HydrophobicContact CD2-CG 3.47Å; L107-P144 VanDerWaalsContact CD2-CG 3.47Å; L107-P144 HydrophobicContact CG-CG 4.34Å; P144-E146 PolarHBondContact O-N 2.91Å; P144-L147 HydrophobicContact CG-CD1 4.32Å; P144-L147 HydrophobicContact CG-CG 4.38Å; P144-L147 PolarHBondContact O-N 3.43Å; P144-Y148 WeakPolarHBondContact O-CD1 3.39Å; P144-Y148 WeakPolarHBondContact O-CE1 3.46Å | ||
| 145 | S | 65 | Low | 73.6 | Confident | 37 Ų | 37 | 27.7 Ų | 27.7 | 26% | 0.259 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -52.2 | -31.1 | -172.9 | 72.9 | 0 | 0 | 0 | 0 | 115.1 | L147 Y148 P149 I194 | S145-L147 PolarHBondContact O-N 3.09Å; S145-Y148 WeakPolarHBondContact O-CB 3.37Å; S145-Y148 PolarHBondContact O-N 3.29Å; S145-Y148 VanDerWaalsContact O-N 3.11Å; S145-P149 WeakPolarHBondContact O-CD 3.35Å; S145-I194 VanDerWaalsContact CB-CD1 3.47Å |
| 146 | E | 77 | Confident | 73.2 | Confident | 118 Ų | 118 | 25.8 Ų | 25.8 | 55% | 0.551 | 14% | 0.135 | S | C | * | . | G | 310 helix | trans | -63.8 | -26.4 | -177.5 | -68 | 84.4 | 159.9 | 0 | 0 | 112.2 | L107 P144 | L107-E146 HydrophobicContact CD2-CB 3.93Å; P144-E146 PolarHBondContact O-N 2.91Å |
| 147 | L | 81.1 | Confident | 72.9 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -91 | -12.8 | 177.2 | -61.6 | -178.1 | 0 | 0 | 0 | 113.2 | L107 N111 Y143 P144 S145 D150 V151 | L107-L147 HydrophobicContact CD2-CD1 4.48Å; L107-L147 HydrophobicContact CD2-CD2 4.32Å; L107-L147 HydrophobicContact CD2-CG 4.07Å; N111-L147 HydrophobicContact CB-CD2 4.45Å; N111-L147 WeakPolarHBondContact ND2-CD2 3.19Å; Y143-L147 HydrophobicContact CD2-CB 3.98Å; Y143-L147 HydrophobicContact CD2-CD1 3.47Å; Y143-L147 VanDerWaalsContact CD2-CD1 3.47Å; Y143-L147 HydrophobicContact CD2-CG 4.37Å; Y143-L147 HydrophobicContact CE2-CD1 3.98Å; Y143-L147 HydrophobicContact CG-CD1 3.92Å; P144-L147 HydrophobicContact CG-CD1 4.32Å; P144-L147 HydrophobicContact CG-CG 4.38Å; P144-L147 PolarHBondContact O-N 3.43Å; S145-L147 PolarHBondContact O-N 3.09Å; L147-D150 PolarHBondContact O-N 2.81Å; L147-V151 WeakPolarHBondContact O-CG2 3.36Å; L147-V151 PolarHBondContact O-N 3.19Å |
| 148 | Y | 71.5 | Confident | 73.2 | Confident | 8 Ų | 8 | 26.3 Ų | 26.3 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.8 | -37.4 | -173.8 | -65.6 | 3.9 | 0 | 0 | 0 | 113.9 | L140 Y143 P144 S145 D150 V151 L152 I194 Y198 | L140-Y148 HydrophobicContact CD2-CD1 3.67Å; L140-Y148 HydrophobicContact CD2-CD2 4.05Å; L140-Y148 HydrophobicContact CD2-CE1 4.31Å; L140-Y148 HydrophobicContact CD2-CG 3.56Å; L140-Y148 PolarHBondContact O-OH 2.94Å; Y143-Y148 WeakPolarHBondContact O-CE1 3.45Å; Y143-Y148 VanDerWaalsContact O-CZ 3.25Å; Y143-Y148 PolarHBondContact O-OH 2.91Å; P144-Y148 WeakPolarHBondContact O-CD1 3.39Å; P144-Y148 WeakPolarHBondContact O-CE1 3.46Å; S145-Y148 WeakPolarHBondContact O-CB 3.37Å; S145-Y148 PolarHBondContact O-N 3.29Å; S145-Y148 VanDerWaalsContact O-N 3.11Å; Y148-D150 PolarHBondContact O-N 3.17Å; Y148-V151 PolarHBondContact O-N 2.94Å; Y148-L152 WeakPolarHBondContact O-CB 3.47Å; Y148-L152 VanDerWaalsContact O-CG 3.28Å; Y148-L152 WeakPolarHBondContact O-CG 3.43Å; Y148-L152 PolarHBondContact O-N 3.26Å; Y148-I194 HydrophobicContact CD2-CD1 3.91Å; Y148-I194 HydrophobicContact CD2-CG1 4.34Å; Y148-I194 HydrophobicContact CD2-CG2 4.21Å; Y148-I194 HydrophobicContact CE2-CB 4.03Å; Y148-I194 HydrophobicContact CE2-CD1 3.11Å; Y148-I194 HydrophobicContact CE2-CG1 3.79Å; Y148-I194 HydrophobicContact CE2-CG2 3.87Å; Y148-I194 WeakPolarHBondContact OH-CD1 3.23Å; Y148-Y198 WeakPolarHBondContact CB-OH 3.28Å; Y148-Y198 HydrophobicContact CD2-CE1 4.24Å; Y148-Y198 HydrophobicContact CD2-CE2 4.32Å; Y148-Y198 AromaticContact CD2-CZ 3.71Å; Y148-Y198 VanDerWaalsContact CD2-OH 3.26Å; Y148-Y198 WeakPolarHBondContact CD2-OH 3.48Å |
| 149 | P | 68.5 | Low | 73.3 | Confident | 27 Ų | 27 | 25 Ų | 25 | 18% | 0.175 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.3 | -33.1 | 171.3 | -22.8 | 32.1 | 0 | 0 | 0 | 112.9 | S145 R153 L273 | S145-P149 WeakPolarHBondContact O-CD 3.35Å; P149-R153 VanDerWaalsContact O-CB 3.27Å; P149-R153 WeakPolarHBondContact O-CB 3.44Å; P149-R153 PolarHBondContact O-N 3.29Å; P149-L273 HydrophobicContact CB-CD2 4.34Å; P149-L273 HydrophobicContact CG-CD2 3.71Å; P149-L273 HydrophobicContact CG-CG 4.39Å |
| 150 | D | 77.5 | Confident | 73 | Confident | 45 Ų | 45 | 25.5 Ų | 25.5 | 24% | 0.241 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -83.1 | -38.6 | -177.6 | -60.4 | -43.3 | 0 | 0 | 0 | 111.8 | L114 L147 Y148 R153 L154 | L114-D150 HydrophobicContact CD1-CB 4.01Å; L147-D150 PolarHBondContact O-N 2.81Å; Y148-D150 PolarHBondContact O-N 3.17Å; D150-R153 PolarHBondContact O-N 3.36Å; D150-R153 IonicContact OD1-CZ 2.62Å; D150-R153 IonicContact OD1-NH1 2.72Å; D150-R153 PolarHBondContact OD1-NH1 3.49Å; D150-R153 IonicContact OD1-NH2 3.3Å; D150-R153 PolarHBondContact OD1-NH2 3.21Å; D150-L154 WeakPolarHBondContact O-CB 3.46Å; D150-L154 PolarHBondContact O-N 3.43Å |
| 151 | V | 77.7 | Confident | 72.7 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.2 | -52.1 | 167.6 | 175.9 | 0 | 0 | 0 | 0 | 110.1 | L114 L136 L140 Y143 L147 Y148 R153 L154 L155 | L114-V151 HydrophobicContact CD1-CG2 3.91Å; L114-V151 HydrophobicContact CD2-CG2 3.92Å; L136-V151 HydrophobicContact CD2-CG1 4.15Å; L136-V151 WeakPolarHBondContact O-CG1 3.3Å; L140-V151 HydrophobicContact CD2-CB 3.76Å; L140-V151 HydrophobicContact CD2-CG1 3.63Å; L140-V151 HydrophobicContact CD2-CG2 4.28Å; L140-V151 HydrophobicContact CG-CB 4.47Å; L140-V151 HydrophobicContact CG-CG1 3.8Å; Y143-V151 HydrophobicContact CD2-CG2 4.2Å; L147-V151 WeakPolarHBondContact O-CG2 3.36Å; L147-V151 PolarHBondContact O-N 3.19Å; Y148-V151 PolarHBondContact O-N 2.94Å; V151-R153 VanDerWaalsContact C-N 3.33Å; V151-R153 PolarHBondContact O-N 3.09Å; V151-L154 PolarHBondContact O-N 2.72Å; V151-L155 WeakPolarHBondContact O-CB 3.28Å; V151-L155 PolarHBondContact O-N 3.1Å |
| 152 | L | 69 | Low | 72.6 | Confident | 7 Ų | 7 | 24.9 Ų | 24.9 | 4% | 0.037 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.9 | -40.9 | 177.5 | -74.9 | 172.9 | 0 | 0 | 0 | 112.5 | L140 Y148 L155 C156 Y198 V201 L273 | L140-L152 HydrophobicContact CD1-CD2 4.4Å; Y148-L152 WeakPolarHBondContact O-CB 3.47Å; Y148-L152 VanDerWaalsContact O-CG 3.28Å; Y148-L152 WeakPolarHBondContact O-CG 3.43Å; Y148-L152 PolarHBondContact O-N 3.26Å; L152-L155 PolarHBondContact O-N 3.18Å; L152-C156 VanDerWaalsContact O-CB 3.23Å; L152-C156 WeakPolarHBondContact O-CB 3.09Å; L152-C156 PolarHBondContact O-N 2.98Å; L152-C156 PolarHBondContact O-SG 3.05Å; L152-Y198 HydrophobicContact CD1-CD1 3.91Å; L152-Y198 HydrophobicContact CD1-CE1 3.34Å; L152-Y198 HydrophobicContact CD2-CD1 4.09Å; L152-Y198 HydrophobicContact CD2-CE1 4.19Å; L152-Y198 HydrophobicContact CG-CD1 4.32Å; L152-Y198 HydrophobicContact CG-CE1 3.91Å; L152-V201 HydrophobicContact CB-CG1 4.41Å; L152-V201 HydrophobicContact CD1-CB 4.23Å; L152-V201 HydrophobicContact CD1-CG1 3.81Å; L152-V201 HydrophobicContact CD1-CG2 3.97Å; L152-V201 HydrophobicContact CD2-CB 4.1Å; L152-V201 HydrophobicContact CD2-CG1 3.68Å; L152-V201 HydrophobicContact CG-CG1 4.17Å; L152-L273 HydrophobicContact CD1-CD2 4.02Å |
| 153 | R | 73.6 | Confident | 72.3 | Confident | 112 Ų | 112 | 23.5 Ų | 23.5 | 42% | 0.423 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -64.3 | -45.9 | 177.8 | -163.2 | -177.7 | -53.4 | 120.8 | 16.9 | 110.7 | P149 D150 V151 N157 | P149-R153 VanDerWaalsContact O-CB 3.27Å; P149-R153 WeakPolarHBondContact O-CB 3.44Å; P149-R153 PolarHBondContact O-N 3.29Å; D150-R153 PolarHBondContact O-N 3.36Å; D150-R153 IonicContact OD1-CZ 2.62Å; D150-R153 IonicContact OD1-NH1 2.72Å; D150-R153 PolarHBondContact OD1-NH1 3.49Å; D150-R153 IonicContact OD1-NH2 3.3Å; D150-R153 PolarHBondContact OD1-NH2 3.21Å; V151-R153 VanDerWaalsContact C-N 3.33Å; V151-R153 PolarHBondContact O-N 3.09Å; R153-N157 HydrophobicContact CG-CB 4.49Å; R153-N157 WeakPolarHBondContact O-CA 3.49Å; R153-N157 WeakPolarHBondContact O-CB 3.32Å; R153-N157 PolarHBondContact O-N 3.29Å |
| 154 | L | 78.1 | Confident | 71.1 | Confident | 7 Ų | 7 | 24.8 Ų | 24.8 | 4% | 0.037 | 13% | 0.127 | C | C | . | . | I | π-helix | trans | -61.5 | -46.1 | 176.7 | -175.3 | 56.2 | 0 | 0 | 0 | 111.3 | L114 V117 Q118 L136 D150 V151 V158 L159 | L114-L154 HydrophobicContact CB-CD2 4.34Å; L114-L154 HydrophobicContact CD2-CD2 4.28Å; V117-L154 HydrophobicContact CG1-CD2 4.39Å; Q118-L154 HydrophobicContact CB-CD1 3.7Å; Q118-L154 HydrophobicContact CG-CD1 3.72Å; L136-L154 HydrophobicContact CD1-CD2 3.57Å; L136-L154 HydrophobicContact CD1-CG 3.93Å; L136-L154 HydrophobicContact CD2-CD2 3.92Å; L136-L154 HydrophobicContact CG-CD2 4.44Å; D150-L154 WeakPolarHBondContact O-CB 3.46Å; D150-L154 PolarHBondContact O-N 3.43Å; V151-L154 PolarHBondContact O-N 2.72Å; L154-V158 HydrophobicContact CD1-CB 3.98Å; L154-V158 HydrophobicContact CD1-CG1 4.31Å; L154-V158 HydrophobicContact CD1-CG2 3.9Å; L154-V158 WeakPolarHBondContact O-CA 3.49Å; L154-V158 VanDerWaalsContact O-CB 3.22Å; L154-V158 WeakPolarHBondContact O-CB 3.35Å; L154-V158 PolarHBondContact O-N 3.37Å; L154-L159 HydrophobicContact CD1-CG 4.43Å; L154-L159 HydrophobicContact CG-CD1 4.29Å; L154-L159 HydrophobicContact CG-CG 4.42Å; L154-L159 PolarHBondContact O-N 3.48Å |
| 155 | L | 72.5 | Confident | 69.7 | Low | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -62.5 | -53.3 | 179.7 | -168.8 | 64.3 | 0 | 0 | 0 | 112.4 | P133 L136 A137 V151 L152 L160 F179 | P133-L155 HydrophobicContact CB-CD1 3.87Å; P133-L155 VanDerWaalsContact O-CD1 3.29Å; P133-L155 WeakPolarHBondContact O-CD1 3.28Å; L136-L155 HydrophobicContact CB-CD1 4.36Å; A137-L155 HydrophobicContact CB-CD2 4.34Å; V151-L155 WeakPolarHBondContact O-CB 3.28Å; V151-L155 PolarHBondContact O-N 3.1Å; L152-L155 PolarHBondContact O-N 3.18Å; L155-L160 HydrophobicContact CG-CD1 4.29Å; L155-L160 WeakPolarHBondContact O-CB 3.48Å; L155-L160 WeakPolarHBondContact O-CG 3.26Å; L155-L160 PolarHBondContact O-N 2.78Å; L155-F179 HydrophobicContact CD1-CE2 4.09Å; L155-F179 HydrophobicContact CD2-CE2 3.53Å; L155-F179 HydrophobicContact CD2-CZ 3.66Å; L155-F179 HydrophobicContact CG-CE2 3.72Å; L155-F179 HydrophobicContact CG-CZ 4.18Å |
| 156 | C | 66.3 | Low | 68.7 | Low | 5 Ų | 5 | 28.7 Ų | 28.7 | 3% | 0.034 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -84.8 | -36.1 | -171.5 | -54.6 | 0 | 0 | 0 | 0 | 113.9 | L152 P161 I205 C209 | L152-C156 VanDerWaalsContact O-CB 3.23Å; L152-C156 WeakPolarHBondContact O-CB 3.09Å; L152-C156 PolarHBondContact O-N 2.98Å; L152-C156 PolarHBondContact O-SG 3.05Å; C156-P161 VanDerWaalsContact O-CD 3.25Å; C156-P161 WeakPolarHBondContact O-CD 3.49Å; C156-P161 WeakPolarHBondContact O-CG 3.48Å; C156-I205 HydrophobicContact CB-CG1 3.99Å; C156-I205 VanDerWaalsContact SG-CG1 3.51Å; C156-C209 PolarHBondContact O-SG 3.42Å |
| 157 | N | 70.4 | Confident | 67 | Low | 6 Ų | 6 | 27.8 Ų | 27.8 | 3% | 0.032 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -96.4 | -20.1 | -174.5 | -67.7 | -1.3 | 0 | 0 | 0 | 113.2 | R153 R208 P315 F317 | R153-N157 HydrophobicContact CG-CB 4.49Å; R153-N157 WeakPolarHBondContact O-CA 3.49Å; R153-N157 WeakPolarHBondContact O-CB 3.32Å; R153-N157 PolarHBondContact O-N 3.29Å; N157-R208 WeakPolarHBondContact OD1-CD 3.48Å; N157-R208 PolarHBondContact OD1-NH1 3.44Å; N157-R208 VanDerWaalsContact OD1-NH1 3.15Å; N157-P315 WeakPolarHBondContact O-CG 3.08Å; N157-F317 HydrophobicContact CB-CE2 4.01Å; N157-F317 HydrophobicContact CB-CZ 3.73Å |
| 158 | V | 73.2 | Confident | 64.9 | Low | 8 Ų | 8 | 31 Ų | 31 | 5% | 0.048 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -114.6 | -65.1 | -177.3 | -168.4 | 0 | 0 | 0 | 0 | 111.3 | Y121 L154 F162 P314 | Y121-V158 HydrophobicContact CE1-CG1 3.93Å; L154-V158 HydrophobicContact CD1-CB 3.98Å; L154-V158 HydrophobicContact CD1-CG1 4.31Å; L154-V158 HydrophobicContact CD1-CG2 3.9Å; L154-V158 WeakPolarHBondContact O-CA 3.49Å; L154-V158 VanDerWaalsContact O-CB 3.22Å; L154-V158 WeakPolarHBondContact O-CB 3.35Å; L154-V158 PolarHBondContact O-N 3.37Å; V158-F162 VanDerWaalsContact O-CB 3.32Å; V158-F162 WeakPolarHBondContact O-CB 3.45Å; V158-F162 PolarHBondContact O-N 3.08Å; V158-F162 VanDerWaalsContact O-N 3.15Å; V158-P314 WeakPolarHBondContact CG1-O 3.44Å |
| 159 | L | 74.6 | Confident | 63.1 | Low | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -80.1 | -46.2 | -162.5 | -63.1 | -175.8 | 0 | 0 | 0 | 114.5 | Y121 L132 P133 L136 L154 F162 T163 | Y121-L159 HydrophobicContact CD1-CD2 4.26Å; Y121-L159 HydrophobicContact CD2-CD2 3.9Å; Y121-L159 HydrophobicContact CG-CD2 3.73Å; L132-L159 HydrophobicContact CB-CD1 4.44Å; L132-L159 HydrophobicContact CD2-CD1 3.72Å; L132-L159 HydrophobicContact CD2-CD2 3.8Å; L132-L159 HydrophobicContact CD2-CG 4.44Å; L132-L159 HydrophobicContact CG-CD1 3.84Å; P133-L159 HydrophobicContact CG-CB 4.27Å; L136-L159 HydrophobicContact CD1-CD1 3.21Å; L154-L159 HydrophobicContact CD1-CG 4.43Å; L154-L159 HydrophobicContact CG-CD1 4.29Å; L154-L159 HydrophobicContact CG-CG 4.42Å; L154-L159 PolarHBondContact O-N 3.48Å; L159-F162 WeakPolarHBondContact O-CB 3.32Å; L159-F162 PolarHBondContact O-N 3.16Å; L159-F162 VanDerWaalsContact O-N 3.1Å; L159-T163 PolarHBondContact O-N 2.9Å; L159-T163 PolarHBondContact O-OG1 3.18Å |
| 160 | L | 67.2 | Low | 61.4 | Low | 13 Ų | 13 | 46 Ų | 46 | 7% | 0.068 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 175.8 | -71.3 | 169.5 | 0 | 0 | 0 | 112.5 | P133 L155 F162 T163 L164 F179 I205 | P133-L160 HydrophobicContact CB-CD2 4.11Å; P133-L160 HydrophobicContact CG-CD2 4.49Å; L155-L160 HydrophobicContact CG-CD1 4.29Å; L155-L160 WeakPolarHBondContact O-CB 3.48Å; L155-L160 WeakPolarHBondContact O-CG 3.26Å; L155-L160 PolarHBondContact O-N 2.78Å; L160-F162 VanDerWaalsContact C-N 3.26Å; L160-F162 PolarHBondContact O-N 2.99Å; L160-T163 PolarHBondContact O-N 3Å; L160-T163 PolarHBondContact O-OG1 3.42Å; L160-L164 HydrophobicContact CB-CD1 4.3Å; L160-L164 WeakPolarHBondContact O-CB 3.39Å; L160-L164 WeakPolarHBondContact O-CG 3.47Å; L160-L164 PolarHBondContact O-N 2.62Å; L160-F179 HydrophobicContact CD1-CD2 3.73Å; L160-F179 HydrophobicContact CD1-CE2 3.59Å; L160-F179 HydrophobicContact CD1-CG 4.44Å; L160-F179 HydrophobicContact CD1-CZ 4.21Å; L160-F179 HydrophobicContact CD2-CD2 4.12Å; L160-I205 HydrophobicContact CD1-CD1 3.64Å; L160-I205 HydrophobicContact CD1-CG1 4.22Å; L160-I205 HydrophobicContact CD1-CG2 3.87Å |
| 161 | P | 62.6 | Low | 59.3 | Low | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.032 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -53.2 | -45.2 | 168.4 | -26.5 | 33.2 | 0 | 0 | 0 | 112.2 | C156 L165 | C156-P161 VanDerWaalsContact O-CD 3.25Å; C156-P161 WeakPolarHBondContact O-CD 3.49Å; C156-P161 WeakPolarHBondContact O-CG 3.48Å; P161-L165 HydrophobicContact CB-CD1 4.36Å; P161-L165 WeakPolarHBondContact O-CB 3.39Å; P161-L165 VanDerWaalsContact O-CD1 3.31Å; P161-L165 WeakPolarHBondContact O-CD1 3.49Å; P161-L165 WeakPolarHBondContact O-CG 3.35Å; P161-L165 PolarHBondContact O-N 2.72Å |
| 162 | F | 65.3 | Low | 57.3 | Low | 18 Ų | 18 | 47.3 Ų | 47.3 | 8% | 0.079 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.2 | -48 | -178.1 | -179.9 | -104.6 | 0 | 0 | 0 | 113 | M68 L70 Y121 L122 V158 L159 L160 | M68-F162 HydrophobicContact CE-CD2 4.17Å; M68-F162 HydrophobicContact SD-CD2 3.45Å; M68-F162 WeakPolarHBondContact SD-CD2 3.31Å; M68-F162 HydrophobicContact SD-CE2 3.48Å; M68-F162 WeakPolarHBondContact SD-CE2 3.39Å; L70-F162 HydrophobicContact CD1-CZ 4.25Å; Y121-F162 AromaticContact CD2-CD1 3.78Å; Y121-F162 HydrophobicContact CD2-CD1 3.78Å; Y121-F162 HydrophobicContact CD2-CD2 4.44Å; Y121-F162 AromaticContact CD2-CE1 3.81Å; Y121-F162 HydrophobicContact CD2-CE1 3.81Å; Y121-F162 HydrophobicContact CD2-CE2 4.46Å; Y121-F162 HydrophobicContact CD2-CG 4.11Å; Y121-F162 HydrophobicContact CD2-CZ 4.16Å; Y121-F162 HydrophobicContact CE2-CB 4.34Å; Y121-F162 AromaticContact CE2-CD1 3.89Å; Y121-F162 HydrophobicContact CE2-CD1 3.89Å; Y121-F162 AromaticContact CE2-CD2 3.74Å; Y121-F162 HydrophobicContact CE2-CD2 3.74Å; Y121-F162 HydrophobicContact CE2-CE1 4.05Å; Y121-F162 AromaticContact CE2-CE2 3.91Å; Y121-F162 HydrophobicContact CE2-CE2 3.91Å; Y121-F162 AromaticContact CE2-CG 3.73Å; Y121-F162 HydrophobicContact CE2-CG 3.73Å; Y121-F162 HydrophobicContact CE2-CZ 4.06Å; L122-F162 HydrophobicContact CD2-CE2 3.9Å; L122-F162 HydrophobicContact CD2-CZ 4.22Å; V158-F162 VanDerWaalsContact O-CB 3.32Å; V158-F162 WeakPolarHBondContact O-CB 3.45Å; V158-F162 PolarHBondContact O-N 3.08Å; V158-F162 VanDerWaalsContact O-N 3.15Å; L159-F162 WeakPolarHBondContact O-CB 3.32Å; L159-F162 PolarHBondContact O-N 3.16Å; L159-F162 VanDerWaalsContact O-N 3.1Å; L160-F162 VanDerWaalsContact C-N 3.26Å; L160-F162 PolarHBondContact O-N 2.99Å |
| 163 | T | 65.5 | Low | 55.8 | Low | 31 Ų | 31 | 51 Ų | 51 | 19% | 0.19 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -73.5 | -31.3 | -179.7 | 58 | 0 | 0 | 0 | 0 | 113 | P133 L159 L160 | P133-T163 HydrophobicContact CG-CG2 3.98Å; L159-T163 PolarHBondContact O-N 2.9Å; L159-T163 PolarHBondContact O-OG1 3.18Å; L160-T163 PolarHBondContact O-N 3Å; L160-T163 PolarHBondContact O-OG1 3.42Å |
| 164 | L | 56.5 | Low | 54.1 | Low | 33 Ų | 33 | 49.9 Ų | 49.9 | 17% | 0.173 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -85.3 | -34.4 | -179.3 | -61.2 | 174.1 | 0 | 0 | 0 | 113.6 | L160 G166 R167 | L160-L164 HydrophobicContact CB-CD1 4.3Å; L160-L164 WeakPolarHBondContact O-CB 3.39Å; L160-L164 WeakPolarHBondContact O-CG 3.47Å; L160-L164 PolarHBondContact O-N 2.62Å; L164-G166 PolarHBondContact O-N 2.79Å; L164-G166 VanDerWaalsContact O-N 3.14Å; L164-R167 PolarHBondContact O-N 3.17Å |
| 165 | L | 49.8 | Very low | 52.2 | Low | 95 Ų | 95 | 51.4 Ų | 51.4 | 50% | 0.497 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.2 | -26 | -178.9 | -87.6 | 163.7 | 0 | 0 | 0 | 113.4 | M68 P161 R167 | M68-L165 HydrophobicContact CE-CB 3.52Å; M68-L165 HydrophobicContact CE-CD1 4.32Å; P161-L165 HydrophobicContact CB-CD1 4.36Å; P161-L165 WeakPolarHBondContact O-CB 3.39Å; P161-L165 VanDerWaalsContact O-CD1 3.31Å; P161-L165 WeakPolarHBondContact O-CD1 3.49Å; P161-L165 WeakPolarHBondContact O-CG 3.35Å; P161-L165 PolarHBondContact O-N 2.72Å; L165-R167 PolarHBondContact O-N 2.82Å |
| 166 | G | 44.5 | Very low | 50.8 | Low | 60 Ų | 60 | 53.4 Ų | 53.4 | 62% | 0.619 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -17.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L164 | L164-G166 PolarHBondContact O-N 2.79Å; L164-G166 VanDerWaalsContact O-N 3.14Å |
| 167 | R | 41.7 | Very low | 49.7 | Very low | 99 Ų | 99 | 55.5 Ų | 55.5 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 50.7 | -177.1 | -60.6 | -171.2 | -176 | 178.9 | 0.9 | 112.8 | E130 L164 L165 F169 F170 | E130-R167 IonicContact OE1-NH2 3.91Å; L164-R167 PolarHBondContact O-N 3.17Å; L165-R167 PolarHBondContact O-N 2.82Å; R167-F169 PolarHBondContact O-N 3.43Å; R167-F170 WeakPolarHBondContact CB-O 3.36Å; R167-F170 VanDerWaalsContact CD-O 3.27Å; R167-F170 WeakPolarHBondContact CD-O 3.19Å; R167-F170 PolarHBondContact O-N 3.25Å |
| 168 | A | 36.1 | Very low | 48.4 | Very low | 69 Ų | 69 | 60 Ų | 60 | 57% | 0.57 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -4.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 169 | F | 34 | Very low | 47 | Very low | 184 Ų | 184 | 59.9 Ų | 59.9 | 81% | 0.807 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.3 | -6.6 | 174.6 | -74.3 | -78.3 | 0 | 0 | 0 | 115.2 | R167 | R167-F169 PolarHBondContact O-N 3.43Š|
| 170 | F | 32.6 | Very low | 45.7 | Very low | 165 Ų | 165 | 61 Ų | 61 | 72% | 0.724 | 35% | 0.346 | S | S | * | . | trans | -148.1 | 75.3 | -177.5 | -80.8 | -86.8 | 0 | 0 | 0 | 110.5 | R167 P172 | R167-F170 WeakPolarHBondContact CB-O 3.36Å; R167-F170 VanDerWaalsContact CD-O 3.27Å; R167-F170 WeakPolarHBondContact CD-O 3.19Å; R167-F170 PolarHBondContact O-N 3.25Å; F170-P172 WeakPolarHBondContact O-CD 3.5Å | ||
| 171 | C | 33.2 | Very low | 44.5 | Very low | 30 Ų | 30 | 64 Ų | 64 | 20% | 0.203 | 37% | 0.365 | C | S | . | . | trans | -84.2 | 97.6 | 151.4 | -173.2 | 0 | 0 | 0 | 0 | 106.8 | Y213 | C171-Y213 HydrophobicContact CB-CE1 4.27Š| ||
| 172 | P | 36.8 | Very low | 43.6 | Very low | 43 Ų | 43 | 64.3 Ų | 64.3 | 28% | 0.279 | 37% | 0.366 | S | S | . | . | trans | -63.8 | 149 | 172.3 | 30.4 | -36 | 0 | 0 | 0 | 108.8 | F170 T174 S175 | F170-P172 WeakPolarHBondContact O-CD 3.5Å; P172-T174 WeakPolarHBondContact CB-OG1 3.42Å; P172-T174 WeakPolarHBondContact CG-OG1 3.21Å; P172-T174 PolarHBondContact O-N 3.25Å; P172-S175 PolarHBondContact O-N 3.35Å | ||
| 173 | P | 37.7 | Very low | 42.5 | Very low | 86 Ų | 86 | 63.8 Ų | 63.8 | 56% | 0.558 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -51.9 | -28.6 | 175.5 | -27.9 | 35.2 | 0 | 0 | 0 | 112.6 | S175 F176 A177 | P173-S175 VanDerWaalsContact C-N 3.27Å; P173-S175 PolarHBondContact O-N 3.36Å; P173-F176 PolarHBondContact O-N 3.2Å; P173-F176 VanDerWaalsContact O-N 3.12Å; P173-A177 WeakPolarHBondContact O-CB 3.2Å; P173-A177 PolarHBondContact O-N 2.94Å |
| 174 | T | 36.5 | Very low | 41.4 | Very low | 88 Ų | 88 | 68.2 Ų | 68.2 | 54% | 0.54 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58 | -27.6 | 177.5 | 50.6 | 0 | 0 | 0 | 0 | 114.9 | P172 L178 | P172-T174 WeakPolarHBondContact CB-OG1 3.42Å; P172-T174 WeakPolarHBondContact CG-OG1 3.21Å; P172-T174 PolarHBondContact O-N 3.25Å; T174-L178 VanDerWaalsContact O-CB 3.28Å; T174-L178 WeakPolarHBondContact O-CB 3.34Å; T174-L178 PolarHBondContact O-N 3.09Å |
| 175 | S | 39.9 | Very low | 40.7 | Very low | 39 Ų | 39 | 73.5 Ų | 73.5 | 27% | 0.273 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -76.9 | -31.6 | 175.8 | -71.1 | 0 | 0 | 0 | 0 | 112.9 | P172 P173 F179 | P172-S175 PolarHBondContact O-N 3.35Å; P173-S175 VanDerWaalsContact C-N 3.27Å; P173-S175 PolarHBondContact O-N 3.36Å; S175-F179 PolarHBondContact O-N 3.48Å |
| 176 | F | 43.3 | Very low | 40.2 | Very low | 41 Ų | 41 | 69.5 Ų | 69.5 | 18% | 0.18 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -82.5 | -36.8 | 173.3 | -168.2 | -96.6 | 0 | 0 | 0 | 111.6 | P173 L178 F179 I180 G202 I205 L206 | P173-F176 PolarHBondContact O-N 3.2Å; P173-F176 VanDerWaalsContact O-N 3.12Å; F176-L178 VanDerWaalsContact C-N 3.32Å; F176-L178 PolarHBondContact O-N 2.85Å; F176-F179 WeakPolarHBondContact O-CA 3.49Å; F176-F179 VanDerWaalsContact O-CB 3.3Å; F176-F179 WeakPolarHBondContact O-CB 3.32Å; F176-F179 PolarHBondContact O-N 3.13Å; F176-I180 HydrophobicContact CD1-CG1 4.13Å; F176-I180 HydrophobicContact CE1-CD1 4.06Å; F176-I180 HydrophobicContact CE1-CG1 3.79Å; F176-I180 HydrophobicContact CZ-CD1 4.31Å; F176-I180 HydrophobicContact CZ-CG1 4.41Å; F176-I180 PolarHBondContact O-N 3Å; F176-G202 WeakPolarHBondContact CE2-O 3.23Å; F176-G202 WeakPolarHBondContact CZ-O 3.02Å; F176-I205 HydrophobicContact CE2-CB 4.49Å; F176-I205 HydrophobicContact CE2-CG2 4.47Å; F176-L206 HydrophobicContact CE1-CD1 3.88Å; F176-L206 HydrophobicContact CE1-CG 4.35Å; F176-L206 HydrophobicContact CE2-CD1 4.18Å; F176-L206 HydrophobicContact CE2-CD2 4.48Å; F176-L206 HydrophobicContact CE2-CG 3.79Å; F176-L206 HydrophobicContact CZ-CD1 3.53Å; F176-L206 HydrophobicContact CZ-CG 3.68Å |
| 177 | A | 41.8 | Very low | 40.1 | Very low | 49 Ų | 49 | 68.5 Ų | 68.5 | 41% | 0.405 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | P173 F179 I180 V181 | P173-A177 WeakPolarHBondContact O-CB 3.2Å; P173-A177 PolarHBondContact O-N 2.94Å; A177-F179 PolarHBondContact O-N 3.24Å; A177-I180 PolarHBondContact O-N 3.03Å; A177-V181 WeakPolarHBondContact O-CB 3.47Å; A177-V181 WeakPolarHBondContact O-CG2 3.49Å; A177-V181 PolarHBondContact O-N 3.34Å |
| 178 | L | 43.1 | Very low | 40.1 | Very low | 101 Ų | 101 | 70.4 Ų | 70.4 | 53% | 0.529 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58 | -38 | 170.9 | -121.2 | 85.4 | 0 | 0 | 0 | 111.4 | T174 F176 V181 L182 | T174-L178 VanDerWaalsContact O-CB 3.28Å; T174-L178 WeakPolarHBondContact O-CB 3.34Å; T174-L178 PolarHBondContact O-N 3.09Å; F176-L178 VanDerWaalsContact C-N 3.32Å; F176-L178 PolarHBondContact O-N 2.85Å; L178-V181 CarbonylContact O-C 2.76Å; L178-L182 WeakPolarHBondContact O-CA 3.39Å; L178-L182 WeakPolarHBondContact O-CB 3.35Å; L178-L182 WeakPolarHBondContact O-CD1 3.46Å; L178-L182 VanDerWaalsContact O-CG 3.24Å; L178-L182 WeakPolarHBondContact O-CG 3.29Å; L178-L182 PolarHBondContact O-N 2.98Å |
| 179 | F | 44.7 | Very low | 40.3 | Very low | 6 Ų | 6 | 76 Ų | 76 | 3% | 0.026 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.5 | -44.3 | 178.8 | -171.3 | -91.7 | 0 | 0 | 0 | 112.9 | L155 L160 S175 F176 A177 L182 L183 I205 | L155-F179 HydrophobicContact CD1-CE2 4.09Å; L155-F179 HydrophobicContact CD2-CE2 3.53Å; L155-F179 HydrophobicContact CD2-CZ 3.66Å; L155-F179 HydrophobicContact CG-CE2 3.72Å; L155-F179 HydrophobicContact CG-CZ 4.18Å; L160-F179 HydrophobicContact CD1-CD2 3.73Å; L160-F179 HydrophobicContact CD1-CE2 3.59Å; L160-F179 HydrophobicContact CD1-CG 4.44Å; L160-F179 HydrophobicContact CD1-CZ 4.21Å; L160-F179 HydrophobicContact CD2-CD2 4.12Å; S175-F179 PolarHBondContact O-N 3.48Å; F176-F179 WeakPolarHBondContact O-CA 3.49Å; F176-F179 VanDerWaalsContact O-CB 3.3Å; F176-F179 WeakPolarHBondContact O-CB 3.32Å; F176-F179 PolarHBondContact O-N 3.13Å; A177-F179 PolarHBondContact O-N 3.24Å; F179-L182 WeakPolarHBondContact O-CB 3.17Å; F179-L182 PolarHBondContact O-N 3.12Å; F179-L183 HydrophobicContact CD1-CD1 4.26Å; F179-L183 HydrophobicContact CE1-CD1 3.58Å; F179-L183 HydrophobicContact CE1-CG 4.03Å; F179-L183 HydrophobicContact CZ-CD1 4.26Å; F179-L183 HydrophobicContact CZ-CG 4.35Å; F179-L183 PolarHBondContact O-N 3.25Å; F179-I205 HydrophobicContact CD1-CD1 3.66Å; F179-I205 HydrophobicContact CD2-CD1 4.46Å; F179-I205 HydrophobicContact CE1-CD1 3.11Å; F179-I205 HydrophobicContact CE2-CD1 4.01Å; F179-I205 HydrophobicContact CG-CD1 4.31Å; F179-I205 HydrophobicContact CZ-CD1 3.31Å |
| 180 | I | 46 | Very low | 40.3 | Very low | 26 Ų | 26 | 68.6 Ų | 68.6 | 13% | 0.133 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.8 | -41 | 174.2 | -63.4 | -69 | 0 | 0 | 0 | 110.8 | F176 A177 L182 L183 R184 | F176-I180 HydrophobicContact CD1-CG1 4.13Å; F176-I180 HydrophobicContact CE1-CD1 4.06Å; F176-I180 HydrophobicContact CE1-CG1 3.79Å; F176-I180 HydrophobicContact CZ-CD1 4.31Å; F176-I180 HydrophobicContact CZ-CG1 4.41Å; F176-I180 PolarHBondContact O-N 3Å; A177-I180 PolarHBondContact O-N 3.03Å; I180-L182 VanDerWaalsContact C-N 3.25Å; I180-L182 PolarHBondContact O-N 2.81Å; I180-L183 PolarHBondContact O-N 2.99Å; I180-R184 WeakPolarHBondContact O-CB 3.27Å; I180-R184 PolarHBondContact O-N 2.91Å |
| 181 | V | 43.3 | Very low | 40.5 | Very low | 77 Ų | 77 | 72.2 Ų | 72.2 | 47% | 0.467 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.9 | -27 | 174.6 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | A177 L178 R184 R185 | A177-V181 WeakPolarHBondContact O-CB 3.47Å; A177-V181 WeakPolarHBondContact O-CG2 3.49Å; A177-V181 PolarHBondContact O-N 3.34Å; L178-V181 CarbonylContact O-C 2.76Å; V181-R184 WeakPolarHBondContact O-CB 3.37Å; V181-R185 WeakPolarHBondContact O-CB 3.41Å; V181-R185 PolarHBondContact O-N 3.25Å |
| 182 | L | 43.9 | Very low | 40.6 | Very low | 10 Ų | 10 | 74 Ų | 74 | 5% | 0.052 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -70.8 | -48 | 172.2 | -95.8 | 165.1 | 0 | 0 | 0 | 111.9 | Y134 A137 L178 F179 I180 R184 R185 T186 | Y134-L182 HydrophobicContact CD1-CD2 4.08Å; Y134-L182 HydrophobicContact CD2-CD1 3.77Å; Y134-L182 HydrophobicContact CD2-CD2 3.27Å; Y134-L182 HydrophobicContact CD2-CG 3.72Å; Y134-L182 HydrophobicContact CE1-CD2 4.25Å; Y134-L182 HydrophobicContact CE2-CD2 3.47Å; Y134-L182 VanDerWaalsContact CE2-CD2 3.47Å; Y134-L182 HydrophobicContact CE2-CG 4.13Å; Y134-L182 HydrophobicContact CG-CD1 4.09Å; Y134-L182 HydrophobicContact CG-CD2 3.56Å; Y134-L182 HydrophobicContact CG-CG 4.27Å; A137-L182 HydrophobicContact CB-CB 4.22Å; A137-L182 HydrophobicContact CB-CD2 4.17Å; L178-L182 WeakPolarHBondContact O-CA 3.39Å; L178-L182 WeakPolarHBondContact O-CB 3.35Å; L178-L182 WeakPolarHBondContact O-CD1 3.46Å; L178-L182 VanDerWaalsContact O-CG 3.24Å; L178-L182 WeakPolarHBondContact O-CG 3.29Å; L178-L182 PolarHBondContact O-N 2.98Å; F179-L182 WeakPolarHBondContact O-CB 3.17Å; F179-L182 PolarHBondContact O-N 3.12Å; I180-L182 VanDerWaalsContact C-N 3.25Å; I180-L182 PolarHBondContact O-N 2.81Å; L182-R184 PolarHBondContact O-N 3Å; L182-R185 PolarHBondContact O-N 2.91Å; L182-T186 PolarHBondContact O-N 3.25Å; L182-T186 PolarHBondContact O-OG1 2.96Å |
| 183 | L | 41.9 | Very low | 40.3 | Very low | 8 Ų | 8 | 80.6 Ų | 80.6 | 4% | 0.042 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.8 | -39 | 171.2 | -75.3 | 175.7 | 0 | 0 | 0 | 111.5 | L140 F179 I180 R185 T186 G187 Y199 | L140-L183 HydrophobicContact CD1-CD2 4.05Å; F179-L183 HydrophobicContact CD1-CD1 4.26Å; F179-L183 HydrophobicContact CE1-CD1 3.58Å; F179-L183 HydrophobicContact CE1-CG 4.03Å; F179-L183 HydrophobicContact CZ-CD1 4.26Å; F179-L183 HydrophobicContact CZ-CG 4.35Å; F179-L183 PolarHBondContact O-N 3.25Å; I180-L183 PolarHBondContact O-N 2.99Å; L183-R185 VanDerWaalsContact C-N 3.35Å; L183-R185 PolarHBondContact O-N 3.25Å; L183-T186 VanDerWaalsContact CA-OG1 3.31Å; L183-T186 WeakPolarHBondContact CA-OG1 3.44Å; L183-T186 PolarHBondContact O-N 3.39Å; L183-T186 PolarHBondContact O-OG1 3.18Å; L183-G187 PolarHBondContact O-N 3.06Å; L183-Y199 HydrophobicContact CB-CD1 4.27Å; L183-Y199 HydrophobicContact CB-CE1 4.06Å |
| 184 | R | 42.4 | Very low | 39.9 | Very low | 123 Ų | 123 | 79.2 Ų | 79.2 | 46% | 0.464 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.1 | -39 | 172.1 | -177.1 | -178.2 | -179.2 | 171.4 | 1.3 | 112.5 | I180 V181 L182 Q188 T228 | I180-R184 WeakPolarHBondContact O-CB 3.27Å; I180-R184 PolarHBondContact O-N 2.91Å; V181-R184 WeakPolarHBondContact O-CB 3.37Å; L182-R184 PolarHBondContact O-N 3Å; R184-Q188 PolarHBondContact O-N 3.4Å; R184-T228 HydrophobicContact CG-CG2 4.04Å |
| 185 | R | 40.6 | Very low | 39.8 | Very low | 144 Ų | 144 | 76.2 Ų | 76.2 | 54% | 0.543 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -77.2 | -32 | -179.4 | -152.8 | 168.8 | -165.6 | 156.4 | 4.8 | 112.7 | V181 L182 L183 | V181-R185 WeakPolarHBondContact O-CB 3.41Å; V181-R185 PolarHBondContact O-N 3.25Å; L182-R185 PolarHBondContact O-N 2.91Å; L183-R185 VanDerWaalsContact C-N 3.35Å; L183-R185 PolarHBondContact O-N 3.25Å |
| 186 | T | 40 | Very low | 39.6 | Very low | 11 Ų | 11 | 77.6 Ų | 77.6 | 7% | 0.067 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.8 | -40 | 170.2 | 45.1 | 0 | 0 | 0 | 0 | 112.5 | A137 L140 L182 L183 Q188 Y189 V190 | A137-T186 VanDerWaalsContact C-CG2 3.43Å; A137-T186 WeakPolarHBondContact O-CG2 3.43Å; L140-T186 HydrophobicContact CB-CG2 4.36Å; L182-T186 PolarHBondContact O-N 3.25Å; L182-T186 PolarHBondContact O-OG1 2.96Å; L183-T186 VanDerWaalsContact CA-OG1 3.31Å; L183-T186 WeakPolarHBondContact CA-OG1 3.44Å; L183-T186 PolarHBondContact O-N 3.39Å; L183-T186 PolarHBondContact O-OG1 3.18Å; T186-Q188 VanDerWaalsContact C-N 3.3Å; T186-Q188 PolarHBondContact O-N 3.45Å; T186-Y189 PolarHBondContact O-N 3.16Å; T186-V190 PolarHBondContact O-N 3.37Å |
| 187 | G | 42.1 | Very low | 39.3 | Very low | 39 Ų | 39 | 76 Ų | 76 | 40% | 0.402 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.9 | -36.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | L183 Y189 V190 | L183-G187 PolarHBondContact O-N 3.06Å; G187-Y189 VanDerWaalsContact C-N 3.32Å; G187-Y189 PolarHBondContact O-N 3.45Å; G187-V190 CarbonylContact O-C 3.54Å; G187-V190 PolarHBondContact O-N 3.03Å |
| 188 | Q | 42.3 | Very low | 39.1 | Very low | 139 Ų | 139 | 74.7 Ų | 74.7 | 65% | 0.65 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65 | -31.1 | 177.3 | -77.9 | -172.6 | -36.9 | 0 | 0 | 114.2 | R184 T186 | R184-Q188 PolarHBondContact O-N 3.4Å; T186-Q188 VanDerWaalsContact C-N 3.3Å; T186-Q188 PolarHBondContact O-N 3.45Å |
| 189 | Y | 39.5 | Very low | 38.8 | Very low | 186 Ų | 186 | 70.9 Ų | 70.9 | 73% | 0.729 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -83.1 | -15.7 | 177.2 | -83.6 | -82.1 | 0 | 0 | 0 | 113.6 | T186 G187 | T186-Y189 PolarHBondContact O-N 3.16Å; G187-Y189 VanDerWaalsContact C-N 3.32Å; G187-Y189 PolarHBondContact O-N 3.45Å |
| 190 | V | 35.3 | Very low | 38.3 | Very low | 29 Ų | 29 | 72.5 Ų | 72.5 | 18% | 0.176 | 36% | 0.356 | C | S | . | . | trans | -117.6 | 56.8 | 178.1 | -164.1 | 0 | 0 | 0 | 0 | 111.1 | T186 G187 G192 F193 | T186-V190 PolarHBondContact O-N 3.37Å; G187-V190 CarbonylContact O-C 3.54Å; G187-V190 PolarHBondContact O-N 3.03Å; V190-G192 PolarHBondContact O-N 3.39Å; V190-F193 HydrophobicContact CG1-CB 4.29Å; V190-F193 WeakPolarHBondContact CG1-O 3.1Å | ||
| 191 | R | 35.2 | Very low | 37.8 | Very low | 242 Ų | 242 | 71.5 Ų | 71.5 | 91% | 0.913 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -67.6 | -15.5 | 173.9 | -117.7 | -180 | 174.1 | -174.1 | -4.4 | 114.3 | ||
| 192 | G | 36.1 | Very low | 37.6 | Very low | 68 Ų | 68 | 67.8 Ų | 67.8 | 70% | 0.701 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -110 | -15.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | V190 | V190-G192 PolarHBondContact O-N 3.39Š|
| 193 | F | 30.4 | Very low | 37.4 | Very low | 181 Ų | 181 | 68.9 Ų | 68.9 | 79% | 0.794 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -156.3 | 65.5 | -170.7 | -92.8 | -85 | 0 | 0 | 0 | 112.1 | V190 | V190-F193 HydrophobicContact CG1-CB 4.29Å; V190-F193 WeakPolarHBondContact CG1-O 3.1Å |
| 194 | I | 28.7 | Very low | 37.3 | Very low | 56 Ų | 56 | 69 Ų | 69 | 29% | 0.287 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 173.1 | 146.5 | 142.6 | -94.3 | 124.3 | 0 | 0 | 0 | 111.4 | S145 Y148 Y198 | S145-I194 VanDerWaalsContact CB-CD1 3.47Å; Y148-I194 HydrophobicContact CD2-CD1 3.91Å; Y148-I194 HydrophobicContact CD2-CG1 4.34Å; Y148-I194 HydrophobicContact CD2-CG2 4.21Å; Y148-I194 HydrophobicContact CE2-CB 4.03Å; Y148-I194 HydrophobicContact CE2-CD1 3.11Å; Y148-I194 HydrophobicContact CE2-CG1 3.79Å; Y148-I194 HydrophobicContact CE2-CG2 3.87Å; Y148-I194 WeakPolarHBondContact OH-CD1 3.23Å; I194-Y198 HydrophobicContact CG2-CD2 4Å; I194-Y198 HydrophobicContact CG2-CE2 3.62Å |
| 195 | P | 35.2 | Very low | 37.4 | Very low | 26 Ų | 26 | 63.2 Ų | 63.2 | 17% | 0.169 | 31% | 0.314 | C | S | . | . | trans | -82.4 | 156.7 | -160.6 | -14.3 | 33.9 | 0 | 0 | 0 | 114.2 | G197 V266 F270 | P195-G197 PolarHBondContact O-N 2.81Å; P195-V266 HydrophobicContact CB-CG1 3.84Å; P195-V266 HydrophobicContact CG-CG1 3.18Å; P195-F270 HydrophobicContact CB-CB 4.42Å; P195-F270 HydrophobicContact CG-CB 4.49Å | ||
| 196 | T | 36.4 | Very low | 37.5 | Very low | 67 Ų | 67 | 57.2 Ų | 57.2 | 41% | 0.411 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.1 | -1.6 | -177.8 | 42.9 | 0 | 0 | 0 | 0 | 118.7 | E230 L453 | T196-E230 HydrophobicContact CG2-CG 4.45Å; T196-L453 HydrophobicContact CG2-CD1 4.45Å |
| 197 | G | 37.2 | Very low | 37.7 | Very low | 9 Ų | 9 | 57.7 Ų | 57.7 | 9% | 0.093 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -9 | -164.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | P195 Y199 D200 F270 | P195-G197 PolarHBondContact O-N 2.81Å; G197-Y199 PolarHBondContact O-N 2.83Å; G197-D200 WeakPolarHBondContact O-CB 3.33Å; G197-D200 PolarHBondContact O-N 3.34Å; G197-F270 WeakPolarHBondContact O-CE2 3.26Å; G197-F270 WeakPolarHBondContact O-CZ 3.23Å |
| 198 | Y | 36.9 | Very low | 37.7 | Very low | 21 Ų | 21 | 58 Ų | 58 | 8% | 0.082 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -17.5 | -171.6 | -90 | -105.2 | 0 | 0 | 0 | 115.4 | L140 Y148 L152 I194 D200 V201 L273 | L140-Y198 HydrophobicContact CD1-CD1 4.23Å; L140-Y198 HydrophobicContact CD1-CE1 4.44Å; L140-Y198 HydrophobicContact CD2-CE1 4.35Å; Y148-Y198 WeakPolarHBondContact CB-OH 3.28Å; Y148-Y198 HydrophobicContact CD2-CE1 4.24Å; Y148-Y198 HydrophobicContact CD2-CE2 4.32Å; Y148-Y198 AromaticContact CD2-CZ 3.71Å; Y148-Y198 VanDerWaalsContact CD2-OH 3.26Å; Y148-Y198 WeakPolarHBondContact CD2-OH 3.48Å; L152-Y198 HydrophobicContact CD1-CD1 3.91Å; L152-Y198 HydrophobicContact CD1-CE1 3.34Å; L152-Y198 HydrophobicContact CD2-CD1 4.09Å; L152-Y198 HydrophobicContact CD2-CE1 4.19Å; L152-Y198 HydrophobicContact CG-CD1 4.32Å; L152-Y198 HydrophobicContact CG-CE1 3.91Å; I194-Y198 HydrophobicContact CG2-CD2 4Å; I194-Y198 HydrophobicContact CG2-CE2 3.62Å; Y198-D200 PolarHBondContact O-N 3.42Å; Y198-V201 PolarHBondContact O-N 2.85Å; Y198-L273 HydrophobicContact CE1-CD2 4.41Å; Y198-L273 HydrophobicContact CE2-CD1 4.13Å; Y198-L273 WeakPolarHBondContact OH-CD1 3.13Å; Y198-L273 WeakPolarHBondContact OH-CD2 3.34Å |
| 199 | Y | 36.6 | Very low | 37.9 | Very low | 20 Ų | 20 | 53.1 Ų | 53.1 | 8% | 0.078 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.5 | -32 | 169.8 | -58.9 | -72 | 0 | 0 | 0 | 113 | L183 G197 V201 G202 E230 | L183-Y199 HydrophobicContact CB-CD1 4.27Å; L183-Y199 HydrophobicContact CB-CE1 4.06Å; G197-Y199 PolarHBondContact O-N 2.83Å; Y199-V201 PolarHBondContact O-N 3.46Å; Y199-G202 WeakPolarHBondContact O-CA 3.49Å; Y199-G202 PolarHBondContact O-N 2.9Å; Y199-E230 HydrophobicContact CD2-CB 4.39Å; Y199-E230 HydrophobicContact CE2-CB 3.92Å; Y199-E230 WeakPolarHBondContact CE2-OE2 3.32Å; Y199-E230 PolarHBondContact OH-OE2 3.02Å |
| 200 | D | 34.7 | Very low | 38 | Very low | 41 Ų | 41 | 44.9 Ų | 44.9 | 22% | 0.219 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.8 | -7.9 | 173.2 | -85.5 | -26.2 | 0 | 0 | 0 | 113.8 | G197 Y198 P204 P234 F270 V274 | G197-D200 WeakPolarHBondContact O-CB 3.33Å; G197-D200 PolarHBondContact O-N 3.34Å; Y198-D200 PolarHBondContact O-N 3.42Å; D200-P204 WeakPolarHBondContact O-CD 3.39Å; D200-P204 WeakPolarHBondContact O-CG 3.42Å; D200-P234 WeakPolarHBondContact OD1-CB 3.12Å; D200-F270 HydrophobicContact CB-CZ 4.09Å; D200-V274 HydrophobicContact CB-CG2 4.49Å |
| 201 | V | 35.6 | Very low | 38.4 | Very low | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.024 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -91.7 | -20.4 | 167.9 | -165.8 | 0 | 0 | 0 | 0 | 111.5 | L152 Y198 Y199 I203 P204 A277 | L152-V201 HydrophobicContact CB-CG1 4.41Å; L152-V201 HydrophobicContact CD1-CB 4.23Å; L152-V201 HydrophobicContact CD1-CG1 3.81Å; L152-V201 HydrophobicContact CD1-CG2 3.97Å; L152-V201 HydrophobicContact CD2-CB 4.1Å; L152-V201 HydrophobicContact CD2-CG1 3.68Å; L152-V201 HydrophobicContact CG-CG1 4.17Å; Y198-V201 PolarHBondContact O-N 2.85Å; Y199-V201 PolarHBondContact O-N 3.46Å; V201-I203 PolarHBondContact O-N 3.32Å; V201-P204 WeakPolarHBondContact O-CD 3.31Å; V201-A277 HydrophobicContact CG1-CB 3.88Å; V201-A277 HydrophobicContact CG2-CB 4.11Å |
| 202 | G | 38.2 | Very low | 38.8 | Very low | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.7 | -21.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F176 Y199 I205 | F176-G202 WeakPolarHBondContact CE2-O 3.23Å; F176-G202 WeakPolarHBondContact CZ-O 3.02Å; Y199-G202 WeakPolarHBondContact O-CA 3.49Å; Y199-G202 PolarHBondContact O-N 2.9Å; G202-I205 VanDerWaalsContact O-CB 3.3Å; G202-I205 WeakPolarHBondContact O-CB 3.29Å |
| 203 | I | 40.1 | Very low | 39.1 | Very low | 33 Ų | 33 | 37.6 Ų | 37.6 | 17% | 0.169 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -102.8 | -24.2 | -173.8 | -59.8 | -179.2 | 0 | 0 | 0 | 113.8 | V201 I205 L206 Q207 L238 | V201-I203 PolarHBondContact O-N 3.32Å; I203-I205 PolarHBondContact O-N 3.42Å; I203-L206 HydrophobicContact CG1-CD1 4.24Å; I203-L206 HydrophobicContact CG2-CB 4.29Å; I203-L206 HydrophobicContact CG2-CD1 4.2Å; I203-L206 WeakPolarHBondContact O-CA 3.38Å; I203-L206 VanDerWaalsContact O-CB 3.31Å; I203-L206 WeakPolarHBondContact O-CB 3.2Å; I203-L206 PolarHBondContact O-N 2.83Å; I203-Q207 PolarHBondContact O-N 3.43Å; I203-L238 HydrophobicContact CB-CD1 4.39Å; I203-L238 HydrophobicContact CD1-CD1 3.39Å; I203-L238 HydrophobicContact CG1-CD1 4.41Å; I203-L238 HydrophobicContact CG2-CD1 4.27Å |
| 204 | P | 39.9 | Very low | 39.8 | Very low | 10 Ų | 10 | 30.5 Ų | 30.5 | 7% | 0.065 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -51.1 | -26.4 | 152.4 | -34.3 | 38.2 | 0 | 0 | 0 | 114 | D200 V201 Q207 R208 | D200-P204 WeakPolarHBondContact O-CD 3.39Å; D200-P204 WeakPolarHBondContact O-CG 3.42Å; V201-P204 WeakPolarHBondContact O-CD 3.31Å; P204-Q207 PolarHBondContact O-N 2.85Å; P204-R208 VanDerWaalsContact O-CB 3.25Å; P204-R208 WeakPolarHBondContact O-CB 3.17Å; P204-R208 WeakPolarHBondContact O-CG 3.35Å; P204-R208 PolarHBondContact O-N 3.43Å |
| 205 | I | 43.6 | Very low | 40.5 | Very low | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.7 | -45.6 | 170.1 | -54.4 | 165.8 | 0 | 0 | 0 | 110.3 | C156 L160 F176 F179 G202 I203 Q207 R208 C209 | C156-I205 HydrophobicContact CB-CG1 3.99Å; C156-I205 VanDerWaalsContact SG-CG1 3.51Å; L160-I205 HydrophobicContact CD1-CD1 3.64Å; L160-I205 HydrophobicContact CD1-CG1 4.22Å; L160-I205 HydrophobicContact CD1-CG2 3.87Å; F176-I205 HydrophobicContact CE2-CB 4.49Å; F176-I205 HydrophobicContact CE2-CG2 4.47Å; F179-I205 HydrophobicContact CD1-CD1 3.66Å; F179-I205 HydrophobicContact CD2-CD1 4.46Å; F179-I205 HydrophobicContact CE1-CD1 3.11Å; F179-I205 HydrophobicContact CE2-CD1 4.01Å; F179-I205 HydrophobicContact CG-CD1 4.31Å; F179-I205 HydrophobicContact CZ-CD1 3.31Å; G202-I205 VanDerWaalsContact O-CB 3.3Å; G202-I205 WeakPolarHBondContact O-CB 3.29Å; I203-I205 PolarHBondContact O-N 3.42Å; I205-Q207 PolarHBondContact O-N 2.94Å; I205-R208 PolarHBondContact O-N 2.77Å; I205-C209 HydrophobicContact CG2-CB 4.04Å; I205-C209 WeakPolarHBondContact O-CA 3.32Å; I205-C209 WeakPolarHBondContact O-CB 3.49Å; I205-C209 PolarHBondContact O-N 3.41Å |
| 206 | L | 42.9 | Very low | 41.2 | Very low | 17 Ų | 17 | 31.5 Ų | 31.5 | 9% | 0.089 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55 | -37.7 | 172.2 | -86.4 | 162.8 | 0 | 0 | 0 | 111.4 | F176 I203 T210 A211 V214 | F176-L206 HydrophobicContact CE1-CD1 3.88Å; F176-L206 HydrophobicContact CE1-CG 4.35Å; F176-L206 HydrophobicContact CE2-CD1 4.18Å; F176-L206 HydrophobicContact CE2-CD2 4.48Å; F176-L206 HydrophobicContact CE2-CG 3.79Å; F176-L206 HydrophobicContact CZ-CD1 3.53Å; F176-L206 HydrophobicContact CZ-CG 3.68Å; I203-L206 HydrophobicContact CG1-CD1 4.24Å; I203-L206 HydrophobicContact CG2-CB 4.29Å; I203-L206 HydrophobicContact CG2-CD1 4.2Å; I203-L206 WeakPolarHBondContact O-CA 3.38Å; I203-L206 VanDerWaalsContact O-CB 3.31Å; I203-L206 WeakPolarHBondContact O-CB 3.2Å; I203-L206 PolarHBondContact O-N 2.83Å; L206-T210 WeakPolarHBondContact CA-OG1 3.48Å; L206-T210 CarbonylContact O-C 3.32Å; L206-T210 PolarHBondContact O-N 2.87Å; L206-T210 PolarHBondContact O-OG1 2.68Å; L206-A211 PolarHBondContact O-N 2.83Å; L206-V214 HydrophobicContact CB-CG2 3.93Å; L206-V214 HydrophobicContact CD2-CG2 3.87Å; L206-V214 HydrophobicContact CG-CG2 4.46Å |
| 207 | Q | 44.4 | Very low | 41.7 | Very low | 22 Ų | 22 | 28.8 Ų | 28.8 | 10% | 0.103 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -80.7 | -33.6 | 179.3 | -157.1 | 166.1 | 17.9 | 0 | 0 | 114.8 | I203 P204 I205 | I203-Q207 PolarHBondContact O-N 3.43Å; P204-Q207 PolarHBondContact O-N 2.85Å; I205-Q207 PolarHBondContact O-N 2.94Å |
| 208 | R | 43.4 | Very low | 42.9 | Very low | 46 Ų | 46 | 30.1 Ų | 30.1 | 17% | 0.174 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -93.1 | -27.2 | -177.8 | -73.7 | -177.9 | 175.7 | 154.9 | 9.9 | 115 | N157 P204 I205 A277 Y337 | N157-R208 WeakPolarHBondContact OD1-CD 3.48Å; N157-R208 PolarHBondContact OD1-NH1 3.44Å; N157-R208 VanDerWaalsContact OD1-NH1 3.15Å; P204-R208 VanDerWaalsContact O-CB 3.25Å; P204-R208 WeakPolarHBondContact O-CB 3.17Å; P204-R208 WeakPolarHBondContact O-CG 3.35Å; P204-R208 PolarHBondContact O-N 3.43Å; I205-R208 PolarHBondContact O-N 2.77Å; R208-A277 PolarHBondContact NH1-O 2.99Å; R208-A277 PolarHBondContact NH2-O 2.84Å; R208-Y337 HydrophobicContact CG-CE2 4.17Å; R208-Y337 PolarHBondContact NE-OH 2.73Å; R208-Y337 PolarHBondContact NH2-OH 2.72Å; R208-Y337 VanDerWaalsContact NH2-OH 3.16Å |
| 209 | C | 44.8 | Very low | 44.1 | Very low | 35 Ų | 35 | 31.5 Ų | 31.5 | 24% | 0.236 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -105.7 | -35.8 | -175.3 | -59.1 | 0 | 0 | 0 | 0 | 112.5 | C156 I205 | C156-C209 PolarHBondContact O-SG 3.42Å; I205-C209 HydrophobicContact CG2-CB 4.04Å; I205-C209 WeakPolarHBondContact O-CA 3.32Å; I205-C209 WeakPolarHBondContact O-CB 3.49Å; I205-C209 PolarHBondContact O-N 3.41Å |
| 210 | T | 42.1 | Very low | 45.6 | Very low | 13 Ų | 13 | 31.5 Ų | 31.5 | 8% | 0.08 | 18% | 0.183 | C | C | . | . | trans | -140.3 | 39.3 | -160.1 | 49.1 | 0 | 0 | 0 | 0 | 114.2 | L206 Y213 V214 | L206-T210 WeakPolarHBondContact CA-OG1 3.48Å; L206-T210 CarbonylContact O-C 3.32Å; L206-T210 PolarHBondContact O-N 2.87Å; L206-T210 PolarHBondContact O-OG1 2.68Å; T210-Y213 HydrophobicContact CG2-CD2 3.87Å; T210-Y213 HydrophobicContact CG2-CE2 4.42Å; T210-Y213 PolarHBondContact O-N 3.25Å; T210-V214 PolarHBondContact O-N 3.14Å | ||
| 211 | A | 44.4 | Very low | 47.4 | Very low | 14 Ų | 14 | 29.9 Ų | 29.9 | 12% | 0.116 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.1 | -35.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | L206 Y213 F338 T394 | L206-A211 PolarHBondContact O-N 2.83Å; A211-Y213 VanDerWaalsContact C-N 3.34Å; A211-Y213 PolarHBondContact O-N 3.03Å; A211-F338 HydrophobicContact CB-CD2 4.49Å; A211-F338 HydrophobicContact CB-CE2 4.35Å; A211-T394 WeakPolarHBondContact O-CG2 3.49Å |
| 212 | P | 42.4 | Very low | 49 | Very low | 88 Ų | 88 | 30.8 Ų | 30.8 | 57% | 0.571 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -24.8 | 172.4 | -24 | 36.2 | 0 | 0 | 0 | 116 | ||
| 213 | Y | 43.2 | Very low | 50.4 | Low | 85 Ų | 85 | 32.3 Ų | 32.3 | 33% | 0.333 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -21.4 | -172.5 | -65.3 | -89.4 | 0 | 0 | 0 | 113.6 | C171 T210 A211 A215 S216 | C171-Y213 HydrophobicContact CB-CE1 4.27Å; T210-Y213 HydrophobicContact CG2-CD2 3.87Å; T210-Y213 HydrophobicContact CG2-CE2 4.42Å; T210-Y213 PolarHBondContact O-N 3.25Å; A211-Y213 VanDerWaalsContact C-N 3.34Å; A211-Y213 PolarHBondContact O-N 3.03Å; Y213-A215 PolarHBondContact O-N 2.93Å; Y213-S216 PolarHBondContact O-N 3Å; Y213-S216 PolarHBondContact O-OG 3.1Å |
| 214 | V | 44.1 | Very low | 52.1 | Low | 31 Ų | 31 | 30.7 Ų | 30.7 | 19% | 0.188 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -12.8 | 175.8 | -170.5 | 0 | 0 | 0 | 0 | 112.9 | L206 T210 S216 | L206-V214 HydrophobicContact CB-CG2 3.93Å; L206-V214 HydrophobicContact CD2-CG2 3.87Å; L206-V214 HydrophobicContact CG-CG2 4.46Å; T210-V214 PolarHBondContact O-N 3.14Å; V214-S216 PolarHBondContact O-N 3.19Å |
| 215 | A | 43.3 | Very low | 53.9 | Low | 48 Ų | 48 | 30.6 Ų | 30.6 | 40% | 0.397 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -24.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y213 T394 | Y213-A215 PolarHBondContact O-N 2.93Å; A215-T394 HydrophobicContact CB-CG2 4.46Å |
| 216 | S | 49.9 | Very low | 55.4 | Low | 55 Ų | 55 | 36.9 Ų | 36.9 | 39% | 0.385 | 21% | 0.207 | S | C | . | . | trans | -92.1 | 99.8 | 172.8 | 45.2 | 0 | 0 | 0 | 0 | 111.9 | Y213 V214 N218 D219 | Y213-S216 PolarHBondContact O-N 3Å; Y213-S216 PolarHBondContact O-OG 3.1Å; V214-S216 PolarHBondContact O-N 3.19Å; S216-N218 PolarHBondContact O-N 2.65Å; S216-D219 PolarHBondContact O-N 3.36Å; S216-D219 VanDerWaalsContact O-N 3.12Å | ||
| 217 | G | 48.4 | Very low | 56.4 | Low | 10 Ų | 10 | 36.8 Ų | 36.8 | 10% | 0.103 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -16 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | D219 I220 L221 | G217-D219 PolarHBondContact O-N 2.88Å; G217-D219 VanDerWaalsContact O-N 3.13Å; G217-I220 PolarHBondContact O-N 3.38Å; G217-L221 PolarHBondContact O-N 3.45Å |
| 218 | N | 61.7 | Low | 57.6 | Low | 38 Ų | 38 | 37 Ų | 37 | 20% | 0.203 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -51.9 | -28.6 | 170.7 | -55.9 | 53.3 | 0 | 0 | 0 | 112.2 | S216 A222 T409 | S216-N218 PolarHBondContact O-N 2.65Å; N218-A222 WeakPolarHBondContact O-CB 3.32Å; N218-A222 PolarHBondContact O-N 3.44Å; N218-T409 PolarHBondContact ND2-OG1 2.91Å |
| 219 | D | 62.4 | Low | 58.7 | Low | 50 Ų | 50 | 36 Ų | 36 | 27% | 0.267 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -69.9 | -39.6 | 176.8 | -70.1 | -9.2 | 0 | 0 | 0 | 112.2 | S216 G217 V223 | S216-D219 PolarHBondContact O-N 3.36Å; S216-D219 VanDerWaalsContact O-N 3.12Å; G217-D219 PolarHBondContact O-N 2.88Å; G217-D219 VanDerWaalsContact O-N 3.13Å; D219-V223 WeakPolarHBondContact O-CG2 3.39Å; D219-V223 PolarHBondContact O-N 2.98Å; D219-V223 VanDerWaalsContact O-N 3.08Å |
| 220 | I | 67.8 | Low | 59.5 | Low | 20 Ų | 20 | 37.8 Ų | 37.8 | 10% | 0.103 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -75.6 | -40.5 | 177.2 | -58.3 | -177.6 | 0 | 0 | 0 | 110.7 | G217 A222 V223 I224 A235 L239 W243 | G217-I220 PolarHBondContact O-N 3.38Å; I220-A222 VanDerWaalsContact C-N 3.28Å; I220-A222 PolarHBondContact O-N 2.93Å; I220-V223 PolarHBondContact O-N 3.49Å; I220-V223 VanDerWaalsContact O-N 3.08Å; I220-I224 HydrophobicContact CG2-CD1 4.4Å; I220-I224 WeakPolarHBondContact O-CG1 3.24Å; I220-I224 PolarHBondContact O-N 2.96Å; I220-A235 HydrophobicContact CG2-CB 4.38Å; I220-A235 VanDerWaalsContact CG2-O 3.31Å; I220-A235 WeakPolarHBondContact CG2-O 3.45Å; I220-L239 HydrophobicContact CB-CD1 4.35Å; I220-L239 HydrophobicContact CG2-CB 3.85Å; I220-L239 HydrophobicContact CG2-CD1 4.04Å; I220-W243 HydrophobicContact CD1-CE3 4.45Å; I220-W243 HydrophobicContact CD1-CZ3 3.91Å |
| 221 | L | 72.7 | Confident | 60.6 | Low | 6 Ų | 6 | 37.4 Ų | 37.4 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.2 | -40.3 | 173.2 | -72.9 | 171.3 | 0 | 0 | 0 | 111.2 | G217 V223 I224 A225 L239 T409 D412 | G217-L221 PolarHBondContact O-N 3.45Å; L221-V223 VanDerWaalsContact C-N 3.34Å; L221-V223 PolarHBondContact O-N 3.23Å; L221-I224 PolarHBondContact O-N 2.89Å; L221-I224 VanDerWaalsContact O-N 3.17Å; L221-A225 WeakPolarHBondContact O-CB 3.34Å; L221-A225 PolarHBondContact O-N 3.44Å; L221-L239 HydrophobicContact CD2-CD1 4.4Å; L221-L239 HydrophobicContact CD2-CD2 3.98Å; L221-L239 HydrophobicContact CG-CD1 4.47Å; L221-T409 HydrophobicContact CD1-CG2 4.23Å; L221-D412 HydrophobicContact CB-CB 4.14Å |
| 222 | A | 69 | Low | 62 | Low | 24 Ų | 24 | 38.5 Ų | 38.5 | 20% | 0.198 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.7 | -34 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | N218 I220 Y226 | N218-A222 WeakPolarHBondContact O-CB 3.32Å; N218-A222 PolarHBondContact O-N 3.44Å; I220-A222 VanDerWaalsContact C-N 3.28Å; I220-A222 PolarHBondContact O-N 2.93Å; A222-Y226 HydrophobicContact CB-CD2 3.98Å; A222-Y226 HydrophobicContact CB-CE2 4.33Å; A222-Y226 WeakPolarHBondContact O-CA 3.31Å; A222-Y226 VanDerWaalsContact O-CB 3.28Å; A222-Y226 WeakPolarHBondContact O-CB 3.23Å; A222-Y226 VanDerWaalsContact O-CD2 3.26Å; A222-Y226 WeakPolarHBondContact O-CD2 3.17Å; A222-Y226 PolarHBondContact O-N 3.41Å |
| 223 | V | 67.6 | Low | 63 | Low | 31 Ų | 31 | 35.2 Ų | 35.2 | 19% | 0.188 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.3 | -33.3 | 172.2 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | D219 I220 L221 G227 A235 | D219-V223 WeakPolarHBondContact O-CG2 3.39Å; D219-V223 PolarHBondContact O-N 2.98Å; D219-V223 VanDerWaalsContact O-N 3.08Å; I220-V223 PolarHBondContact O-N 3.49Å; I220-V223 VanDerWaalsContact O-N 3.08Å; L221-V223 VanDerWaalsContact C-N 3.34Å; L221-V223 PolarHBondContact O-N 3.23Å; V223-G227 WeakPolarHBondContact O-CA 3.34Å; V223-G227 PolarHBondContact O-N 3.43Å; V223-A235 HydrophobicContact CB-CB 3.98Å; V223-A235 HydrophobicContact CG1-CB 3.48Å; V223-A235 VanDerWaalsContact CG1-CB 3.48Å |
| 224 | I | 76.2 | Confident | 63.7 | Low | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.7 | -42.7 | 174.4 | -60.4 | 167.5 | 0 | 0 | 0 | 110.7 | I220 L221 R232 A235 L239 A416 L420 | I220-I224 HydrophobicContact CG2-CD1 4.4Å; I220-I224 WeakPolarHBondContact O-CG1 3.24Å; I220-I224 PolarHBondContact O-N 2.96Å; L221-I224 PolarHBondContact O-N 2.89Å; L221-I224 VanDerWaalsContact O-N 3.17Å; I224-R232 WeakPolarHBondContact O-CG 3.35Å; I224-R232 PolarHBondContact O-NE 3.25Å; I224-A235 HydrophobicContact CG1-CB 3.88Å; I224-L239 HydrophobicContact CD1-CB 4.04Å; I224-L239 HydrophobicContact CD1-CD2 3.68Å; I224-L239 HydrophobicContact CD1-CG 4.4Å; I224-A416 HydrophobicContact CB-CB 4.23Å; I224-A416 HydrophobicContact CG2-CB 3.73Å; I224-L420 HydrophobicContact CG2-CD1 4.41Å; I224-L420 HydrophobicContact CG2-CD2 4.44Å; I224-L420 HydrophobicContact CG2-CG 4.26Å |
| 225 | A | 77.2 | Confident | 64.7 | Low | 7 Ų | 7 | 30.7 Ų | 30.7 | 6% | 0.058 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.2 | -41.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | L221 C415 S419 | L221-A225 WeakPolarHBondContact O-CB 3.34Å; L221-A225 PolarHBondContact O-N 3.44Å; A225-C415 HydrophobicContact CB-CB 3.67Å; A225-S419 PolarHBondContact O-OG 2.84Å |
| 226 | Y | 75.4 | Confident | 66 | Low | 135 Ų | 135 | 28.4 Ų | 28.4 | 53% | 0.529 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -123.7 | -4.4 | -167.3 | -49 | -61.6 | 0 | 0 | 0 | 114.8 | A222 | A222-Y226 HydrophobicContact CB-CD2 3.98Å; A222-Y226 HydrophobicContact CB-CE2 4.33Å; A222-Y226 WeakPolarHBondContact O-CA 3.31Å; A222-Y226 VanDerWaalsContact O-CB 3.28Å; A222-Y226 WeakPolarHBondContact O-CB 3.23Å; A222-Y226 VanDerWaalsContact O-CD2 3.26Å; A222-Y226 WeakPolarHBondContact O-CD2 3.17Å; A222-Y226 PolarHBondContact O-N 3.41Å |
| 227 | G | 64.2 | Low | 66.7 | Low | 14 Ų | 14 | 27.4 Ų | 27.4 | 14% | 0.144 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -74.9 | 170 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V223 S231 R232 | V223-G227 WeakPolarHBondContact O-CA 3.34Å; V223-G227 PolarHBondContact O-N 3.43Å; G227-S231 WeakPolarHBondContact CA-OG 3.33Å; G227-R232 PolarHBondContact O-NE 2.91Å |
| 228 | T | 69.4 | Low | 67.4 | Low | 26 Ų | 26 | 27.6 Ų | 27.6 | 16% | 0.16 | 15% | 0.146 | C | C | . | . | trans | -67.1 | 154.5 | 168.8 | 57.1 | 0 | 0 | 0 | 0 | 110.5 | R184 E230 S231 R232 | R184-T228 HydrophobicContact CG-CG2 4.04Å; T228-E230 VanDerWaalsContact C-N 3.25Å; T228-E230 PolarHBondContact O-N 3.26Å; T228-S231 PolarHBondContact N-OG 2.99Å; T228-S231 CarbonylContact O-C 3.42Å; T228-S231 WeakPolarHBondContact O-CA 3.45Å; T228-S231 PolarHBondContact O-N 3.44Å; T228-S231 PolarHBondContact O-OG 3.38Å; T228-S231 WeakPolarHBondContact OG1-CB 3.35Å; T228-S231 PolarHBondContact OG1-N 3.35Å; T228-S231 PolarHBondContact OG1-OG 3.12Å; T228-R232 WeakPolarHBondContact O-CG 3.4Å; T228-R232 PolarHBondContact O-N 3.05Å | ||
| 229 | S | 66.8 | Low | 67.8 | Low | 26 Ų | 26 | 26 Ų | 26 | 18% | 0.182 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -49.7 | -46.1 | 173.1 | 46.1 | 0 | 0 | 0 | 0 | 112.2 | S231 R232 I233 E423 | S229-S231 VanDerWaalsContact C-N 3.26Å; S229-S231 PolarHBondContact O-N 3.05Å; S229-R232 WeakPolarHBondContact O-CB 3.32Å; S229-R232 PolarHBondContact O-N 3.47Å; S229-I233 PolarHBondContact O-N 3.29Å; S229-E423 WeakPolarHBondContact CB-OE2 3.38Å |
| 230 | E | 62.4 | Low | 68.1 | Low | 72 Ų | 72 | 24.8 Ų | 24.8 | 34% | 0.336 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -56.3 | -34.3 | 173 | -61 | 176.8 | 157.1 | 0 | 0 | 113.9 | T196 Y199 T228 P234 | T196-E230 HydrophobicContact CG2-CG 4.45Å; Y199-E230 HydrophobicContact CD2-CB 4.39Å; Y199-E230 HydrophobicContact CE2-CB 3.92Å; Y199-E230 WeakPolarHBondContact CE2-OE2 3.32Å; Y199-E230 PolarHBondContact OH-OE2 3.02Å; T228-E230 VanDerWaalsContact C-N 3.25Å; T228-E230 PolarHBondContact O-N 3.26Å; E230-P234 WeakPolarHBondContact O-CD 3.37Å; E230-P234 WeakPolarHBondContact O-CG 3.45Å |
| 231 | S | 65.2 | Low | 67.9 | Low | 5 Ų | 5 | 24.3 Ų | 24.3 | 4% | 0.035 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -85.5 | -22.9 | 176.5 | 74.5 | 0 | 0 | 0 | 0 | 113 | G227 T228 S229 P234 A235 | G227-S231 WeakPolarHBondContact CA-OG 3.33Å; T228-S231 PolarHBondContact N-OG 2.99Å; T228-S231 CarbonylContact O-C 3.42Å; T228-S231 WeakPolarHBondContact O-CA 3.45Å; T228-S231 PolarHBondContact O-N 3.44Å; T228-S231 PolarHBondContact O-OG 3.38Å; T228-S231 WeakPolarHBondContact OG1-CB 3.35Å; T228-S231 PolarHBondContact OG1-N 3.35Å; T228-S231 PolarHBondContact OG1-OG 3.12Å; S229-S231 VanDerWaalsContact C-N 3.26Å; S229-S231 PolarHBondContact O-N 3.05Å; S231-P234 WeakPolarHBondContact O-CD 3.22Å; S231-P234 WeakPolarHBondContact O-CG 3.42Å; S231-A235 WeakPolarHBondContact O-CB 3.45Å; S231-A235 PolarHBondContact O-N 3.27Å |
| 232 | R | 72.2 | Confident | 67.3 | Low | 38 Ų | 38 | 25.4 Ų | 25.4 | 14% | 0.143 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.6 | -35.5 | 175.3 | -70.7 | 174.1 | -174.2 | 146 | 1.1 | 111.7 | I224 G227 T228 S229 T236 E423 | I224-R232 WeakPolarHBondContact O-CG 3.35Å; I224-R232 PolarHBondContact O-NE 3.25Å; G227-R232 PolarHBondContact O-NE 2.91Å; T228-R232 WeakPolarHBondContact O-CG 3.4Å; T228-R232 PolarHBondContact O-N 3.05Å; S229-R232 WeakPolarHBondContact O-CB 3.32Å; S229-R232 PolarHBondContact O-N 3.47Å; R232-T236 WeakPolarHBondContact O-CB 3.33Å; R232-T236 PolarHBondContact O-N 3.4Å; R232-T236 PolarHBondContact O-OG1 3.11Å; R232-E423 WeakPolarHBondContact CD-OE1 3.5Å; R232-E423 IonicContact CZ-OE1 3.11Å; R232-E423 IonicContact NE-OE1 2.64Å; R232-E423 IonicContact NH1-OE1 3.35Å; R232-E423 PolarHBondContact NH1-OE1 3.37Å |
| 233 | I | 64.8 | Low | 67.2 | Low | 19 Ų | 19 | 25.1 Ų | 25.1 | 10% | 0.097 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56.9 | -62.9 | 174.5 | -60.7 | 163.8 | 0 | 0 | 0 | 110.7 | S229 A235 T236 N237 L453 R457 L460 | S229-I233 PolarHBondContact O-N 3.29Å; I233-A235 PolarHBondContact O-N 2.77Å; I233-T236 PolarHBondContact O-N 3.45Å; I233-N237 VanDerWaalsContact O-CB 3.32Å; I233-N237 WeakPolarHBondContact O-CB 3.36Å; I233-N237 PolarHBondContact O-N 3.43Å; I233-N237 PolarHBondContact O-ND2 2.82Å; I233-L453 HydrophobicContact CD1-CD2 4.13Å; I233-R457 HydrophobicContact CD1-CG 4.47Å; I233-L460 HydrophobicContact CG1-CD1 3.66Å; I233-L460 HydrophobicContact CG1-CG 4.5Å |
| 234 | P | 57.1 | Low | 66.9 | Low | 18 Ų | 18 | 24.3 Ų | 24.3 | 12% | 0.117 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.1 | -38.2 | 177.3 | 26.1 | -32.8 | 0 | 0 | 0 | 112.1 | D200 E230 S231 T236 N237 L238 | D200-P234 WeakPolarHBondContact OD1-CB 3.12Å; E230-P234 WeakPolarHBondContact O-CD 3.37Å; E230-P234 WeakPolarHBondContact O-CG 3.45Å; S231-P234 WeakPolarHBondContact O-CD 3.22Å; S231-P234 WeakPolarHBondContact O-CG 3.42Å; P234-T236 PolarHBondContact O-N 2.6Å; P234-N237 CarbonylContact O-C 3.55Å; P234-N237 PolarHBondContact O-N 2.88Å; P234-L238 HydrophobicContact CB-CD1 4.48Å; P234-L238 WeakPolarHBondContact O-CB 3.48Å; P234-L238 WeakPolarHBondContact O-CD1 3.47Å; P234-L238 WeakPolarHBondContact O-CG 3.33Å; P234-L238 PolarHBondContact O-N 3.02Å |
| 235 | A | 64.9 | Low | 66 | Low | 2 Ų | 2 | 26.5 Ų | 26.5 | 2% | 0.017 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.6 | -39.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | I220 V223 I224 S231 I233 L238 L239 | I220-A235 HydrophobicContact CG2-CB 4.38Å; I220-A235 VanDerWaalsContact CG2-O 3.31Å; I220-A235 WeakPolarHBondContact CG2-O 3.45Å; V223-A235 HydrophobicContact CB-CB 3.98Å; V223-A235 HydrophobicContact CG1-CB 3.48Å; V223-A235 VanDerWaalsContact CG1-CB 3.48Å; I224-A235 HydrophobicContact CG1-CB 3.88Å; S231-A235 WeakPolarHBondContact O-CB 3.45Å; S231-A235 PolarHBondContact O-N 3.27Å; I233-A235 PolarHBondContact O-N 2.77Å; A235-L238 PolarHBondContact O-N 2.87Å; A235-L239 WeakPolarHBondContact O-CB 3.35Å; A235-L239 PolarHBondContact O-N 3.24Å |
| 236 | T | 69.9 | Low | 64.9 | Low | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.3 | -44 | 173.7 | -57.2 | 0 | 0 | 0 | 0 | 110.4 | R232 I233 P234 L238 L239 F240 L460 L463 | R232-T236 WeakPolarHBondContact O-CB 3.33Å; R232-T236 PolarHBondContact O-N 3.4Å; R232-T236 PolarHBondContact O-OG1 3.11Å; I233-T236 PolarHBondContact O-N 3.45Å; P234-T236 PolarHBondContact O-N 2.6Å; T236-L238 VanDerWaalsContact C-N 3.29Å; T236-L238 PolarHBondContact O-N 3.47Å; T236-L239 PolarHBondContact O-N 3.05Å; T236-F240 HydrophobicContact CG2-CD2 3.75Å; T236-F240 HydrophobicContact CG2-CE2 3.58Å; T236-F240 WeakPolarHBondContact O-CD2 3.26Å; T236-F240 PolarHBondContact O-N 3.33Å; T236-L460 HydrophobicContact CG2-CD2 4.05Å; T236-L463 HydrophobicContact CG2-CD1 3.98Å |
| 237 | N | 65.5 | Low | 63.8 | Low | 34 Ų | 34 | 30.5 Ų | 30.5 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.8 | -37.8 | 174.6 | -69.3 | -16.3 | 0 | 0 | 0 | 111.8 | I233 P234 F240 H241 Y258 | I233-N237 VanDerWaalsContact O-CB 3.32Å; I233-N237 WeakPolarHBondContact O-CB 3.36Å; I233-N237 PolarHBondContact O-N 3.43Å; I233-N237 PolarHBondContact O-ND2 2.82Å; P234-N237 CarbonylContact O-C 3.55Å; P234-N237 PolarHBondContact O-N 2.88Å; N237-F240 CarbonylContact O-C 3.55Å; N237-H241 WeakPolarHBondContact O-CA 3.3Å; N237-H241 WeakPolarHBondContact O-CB 3.32Å; N237-H241 PolarHBondContact O-N 2.92Å; N237-Y258 WeakPolarHBondContact OD1-CD1 3.42Å; N237-Y258 WeakPolarHBondContact OD1-CE1 3.5Å |
| 238 | L | 64.3 | Low | 63 | Low | 14 Ų | 14 | 33.1 Ų | 33.1 | 7% | 0.073 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -78.4 | -34.9 | 180 | -71.7 | 167.6 | 0 | 0 | 0 | 112.6 | I203 P234 A235 T236 H241 Y242 | I203-L238 HydrophobicContact CB-CD1 4.39Å; I203-L238 HydrophobicContact CD1-CD1 3.39Å; I203-L238 HydrophobicContact CG1-CD1 4.41Å; I203-L238 HydrophobicContact CG2-CD1 4.27Å; P234-L238 HydrophobicContact CB-CD1 4.48Å; P234-L238 WeakPolarHBondContact O-CB 3.48Å; P234-L238 WeakPolarHBondContact O-CD1 3.47Å; P234-L238 WeakPolarHBondContact O-CG 3.33Å; P234-L238 PolarHBondContact O-N 3.02Å; A235-L238 PolarHBondContact O-N 2.87Å; T236-L238 VanDerWaalsContact C-N 3.29Å; T236-L238 PolarHBondContact O-N 3.47Å; L238-H241 PolarHBondContact O-N 3.31Å; L238-Y242 HydrophobicContact CD2-CD2 4.12Å; L238-Y242 HydrophobicContact CD2-CE2 3.78Å; L238-Y242 WeakPolarHBondContact O-CB 3.36Å; L238-Y242 PolarHBondContact O-N 2.82Å |
| 239 | L | 69.9 | Low | 62.1 | Low | 6 Ų | 6 | 38.7 Ų | 38.7 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.9 | -58.7 | 166 | -171.8 | 73.2 | 0 | 0 | 0 | 108.1 | I220 L221 I224 A235 T236 H241 Y242 W243 I399 | I220-L239 HydrophobicContact CB-CD1 4.35Å; I220-L239 HydrophobicContact CG2-CB 3.85Å; I220-L239 HydrophobicContact CG2-CD1 4.04Å; L221-L239 HydrophobicContact CD2-CD1 4.4Å; L221-L239 HydrophobicContact CD2-CD2 3.98Å; L221-L239 HydrophobicContact CG-CD1 4.47Å; I224-L239 HydrophobicContact CD1-CB 4.04Å; I224-L239 HydrophobicContact CD1-CD2 3.68Å; I224-L239 HydrophobicContact CD1-CG 4.4Å; A235-L239 WeakPolarHBondContact O-CB 3.35Å; A235-L239 PolarHBondContact O-N 3.24Å; T236-L239 PolarHBondContact O-N 3.05Å; L239-H241 PolarHBondContact O-N 2.95Å; L239-Y242 PolarHBondContact O-N 3.25Å; L239-W243 HydrophobicContact CD1-CD2 4.12Å; L239-W243 HydrophobicContact CD1-CE3 4.1Å; L239-W243 HydrophobicContact CD1-CG 4.32Å; L239-W243 WeakPolarHBondContact O-CA 3.29Å; L239-W243 VanDerWaalsContact O-CB 3.22Å; L239-W243 WeakPolarHBondContact O-CB 3.15Å; L239-W243 PolarHBondContact O-N 3.16Å; L239-I399 HydrophobicContact CD1-CD1 4.22Å |
| 240 | F | 68.7 | Low | 61.2 | Low | 24 Ų | 24 | 41.2 Ų | 41.2 | 11% | 0.105 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.1 | -18.3 | 178.8 | -67.3 | -59.6 | 0 | 0 | 0 | 114.2 | T236 N237 L245 R253 L463 | T236-F240 HydrophobicContact CG2-CD2 3.75Å; T236-F240 HydrophobicContact CG2-CE2 3.58Å; T236-F240 WeakPolarHBondContact O-CD2 3.26Å; T236-F240 PolarHBondContact O-N 3.33Å; N237-F240 CarbonylContact O-C 3.55Å; F240-L245 HydrophobicContact CD1-CD1 4.22Å; F240-L245 HydrophobicContact CD1-CD2 4.05Å; F240-L245 HydrophobicContact CE1-CD2 4.1Å; F240-R253 PolarHBondContact O-NH2 3.26Å; F240-L463 HydrophobicContact CE2-CD1 4.31Å; F240-L463 HydrophobicContact CE2-CD2 4.49Å |
| 241 | H | 63.2 | Low | 60.4 | Low | 10 Ų | 10 | 38.9 Ų | 38.9 | 5% | 0.046 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -74.8 | -56.5 | 172.9 | -172.2 | 103.3 | 0 | 0 | 0 | 111 | N237 L238 L239 I260 L344 R379 | N237-H241 WeakPolarHBondContact O-CA 3.3Å; N237-H241 WeakPolarHBondContact O-CB 3.32Å; N237-H241 PolarHBondContact O-N 2.92Å; L238-H241 PolarHBondContact O-N 3.31Å; L239-H241 PolarHBondContact O-N 2.95Å; H241-I260 WeakPolarHBondContact ND1-CD1 3.21Å; H241-L344 HydrophobicContact CB-CD2 4.25Å; H241-L344 VanDerWaalsContact ND1-CD2 3.32Å; H241-L344 WeakPolarHBondContact ND1-CD2 3.37Å; H241-R379 PolarHBondContact O-NH1 3.29Å; H241-R379 PolarHBondContact O-NH2 3.45Å |
| 242 | Y | 60.3 | Low | 59.3 | Low | 28 Ų | 28 | 43.5 Ų | 43.5 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -86.5 | -31 | -171.9 | -76.3 | -74.1 | 0 | 0 | 0 | 113.8 | L238 L239 L341 | L238-Y242 HydrophobicContact CD2-CD2 4.12Å; L238-Y242 HydrophobicContact CD2-CE2 3.78Å; L238-Y242 WeakPolarHBondContact O-CB 3.36Å; L238-Y242 PolarHBondContact O-N 2.82Å; L239-Y242 PolarHBondContact O-N 3.25Å; Y242-L341 HydrophobicContact CD1-CD2 3.89Å; Y242-L341 HydrophobicContact CE1-CB 3.93Å; Y242-L341 HydrophobicContact CE1-CD2 3.59Å; Y242-L341 HydrophobicContact CE1-CG 4.4Å |
| 243 | W | 66.1 | Low | 57.9 | Low | 19 Ų | 19 | 44 Ų | 44 | 7% | 0.072 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -79.4 | 133.7 | 178 | -101.6 | -104.1 | 0 | 0 | 0 | 112.7 | I220 L239 V396 N397 I399 | I220-W243 HydrophobicContact CD1-CE3 4.45Å; I220-W243 HydrophobicContact CD1-CZ3 3.91Å; L239-W243 HydrophobicContact CD1-CD2 4.12Å; L239-W243 HydrophobicContact CD1-CE3 4.1Å; L239-W243 HydrophobicContact CD1-CG 4.32Å; L239-W243 WeakPolarHBondContact O-CA 3.29Å; L239-W243 VanDerWaalsContact O-CB 3.22Å; L239-W243 WeakPolarHBondContact O-CB 3.15Å; L239-W243 PolarHBondContact O-N 3.16Å; W243-V396 HydrophobicContact CD2-CG1 3.97Å; W243-V396 HydrophobicContact CE3-CG1 4.12Å; W243-V396 HydrophobicContact CH2-CG1 3.43Å; W243-V396 VanDerWaalsContact CH2-CG1 3.43Å; W243-V396 HydrophobicContact CH2-CG2 4.32Å; W243-V396 HydrophobicContact CZ2-CG1 3.27Å; W243-V396 HydrophobicContact CZ3-CG1 3.87Å; W243-N397 VanDerWaalsContact CD1-O 3.31Å; W243-N397 PolarHBondContact NE1-O 3.39Å; W243-I399 HydrophobicContact CG-CD1 4.28Å |
| 244 | P | 60.6 | Low | 56.9 | Low | 13 Ų | 13 | 54.1 Ų | 54.1 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 132.7 | 173.6 | 22.7 | -21.4 | 0 | 0 | 0 | 112 | A360 V361 | P244-A360 WeakPolarHBondContact CB-O 3.34Å; P244-V361 WeakPolarHBondContact CG-O 3.35Å |
| 245 | L | 58.3 | Low | 56.2 | Low | 47 Ų | 47 | 58.2 Ų | 58.2 | 25% | 0.246 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -97.7 | 127.2 | 177.4 | -65.8 | 169.8 | 0 | 0 | 0 | 110.5 | F240 L251 | F240-L245 HydrophobicContact CD1-CD1 4.22Å; F240-L245 HydrophobicContact CD1-CD2 4.05Å; F240-L245 HydrophobicContact CE1-CD2 4.1Å; L245-L251 HydrophobicContact CD1-CB 4.31Å; L245-L251 HydrophobicContact CD1-CD1 3.97Å |
| 246 | S | 54.6 | Low | 55 | Low | 95 Ų | 95 | 58.8 Ų | 58.8 | 66% | 0.664 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -84.8 | -9.7 | -170.8 | 57.6 | 0 | 0 | 0 | 0 | 116 | ||
| 247 | K | 50.9 | Low | 53.5 | Low | 131 Ų | 131 | 61.5 Ų | 61.5 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | trans | -126 | 137.1 | 171 | -79.8 | -169 | 172.4 | -171.4 | 0 | 110.4 | ||||
| 248 | A | 48.6 | Very low | 52.4 | Low | 69 Ų | 69 | 62.2 Ų | 62.2 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -74 | -33.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F250 | A248-F250 VanDerWaalsContact C-N 3.33Å; A248-F250 PolarHBondContact O-N 3.27Å |
| 249 | D | 49.1 | Very low | 51.2 | Low | 143 Ų | 143 | 68.2 Ų | 68.2 | 77% | 0.765 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -25.8 | -164.8 | -45.3 | -46.1 | 0 | 0 | 0 | 114 | L251 | D249-L251 PolarHBondContact O-N 2.77Š|
| 250 | F | 49 | Very low | 49.8 | Very low | 78 Ų | 78 | 70.7 Ų | 70.7 | 34% | 0.342 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -17.5 | -172.9 | -115.6 | -98.9 | 0 | 0 | 0 | 114.9 | A248 R466 R470 | A248-F250 VanDerWaalsContact C-N 3.33Å; A248-F250 PolarHBondContact O-N 3.27Å; F250-R466 HydrophobicContact CD1-CB 4.31Å; F250-R466 HydrophobicContact CD1-CG 4.3Å; F250-R466 HydrophobicContact CE1-CB 4.03Å; F250-R466 HydrophobicContact CE1-CG 4.02Å; F250-R466 PolarHBondContact O-NH1 3.34Å; F250-R470 HydrophobicContact CE1-CB 4.38Å |
| 251 | L | 45 | Very low | 48.2 | Very low | 24 Ų | 24 | 76.1 Ų | 76.1 | 13% | 0.126 | 39% | 0.389 | C | S | . | . | trans | -140.2 | 91.7 | 174.6 | -92.8 | 105.9 | 0 | 0 | 0 | 110.6 | L245 D249 R253 Y258 | L245-L251 HydrophobicContact CD1-CB 4.31Å; L245-L251 HydrophobicContact CD1-CD1 3.97Å; D249-L251 PolarHBondContact O-N 2.77Å; L251-R253 HydrophobicContact CB-CG 4.25Å; L251-R253 HydrophobicContact CD2-CG 4.32Å; L251-R253 PolarHBondContact O-N 3.41Å; L251-Y258 HydrophobicContact CD2-CE2 3.82Å | ||
| 252 | N | 43 | Very low | 46.7 | Very low | 102 Ų | 102 | 76.5 Ų | 76.5 | 55% | 0.545 | 40% | 0.396 | S | S | . | . | trans | -66.8 | 80.8 | 157.7 | -153.5 | -8.6 | 0 | 0 | 0 | 108.1 | R254 T255 | N252-R254 PolarHBondContact O-N 2.91Å; N252-T255 PolarHBondContact O-N 3.21Å; N252-T255 PolarHBondContact O-OG1 3.47Å; N252-T255 VanDerWaalsContact O-OG1 3.07Å | ||
| 253 | R | 43.1 | Very low | 45.3 | Very low | 47 Ų | 47 | 80.4 Ų | 80.4 | 18% | 0.177 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -2.6 | -174.4 | -78.6 | -165.7 | -178.6 | 163.3 | 7 | 115.2 | F240 L251 L344 N346 | F240-R253 PolarHBondContact O-NH2 3.26Å; L251-R253 HydrophobicContact CB-CG 4.25Å; L251-R253 HydrophobicContact CD2-CG 4.32Å; L251-R253 PolarHBondContact O-N 3.41Å; R253-L344 PolarHBondContact NH1-O 3.34Å; R253-N346 VanDerWaalsContact CZ-ND2 3.27Å; R253-N346 VanDerWaalsContact CZ-OD1 3.3Å; R253-N346 VanDerWaalsContact NH1-CG 3.3Å; R253-N346 PolarHBondContact NH1-ND2 2.97Å; R253-N346 PolarHBondContact NH1-OD1 3.31Å; R253-N346 PolarHBondContact NH2-ND2 2.78Å; R253-N346 PolarHBondContact NH2-OD1 2.95Å |
| 254 | R | 42.7 | Very low | 43.6 | Very low | 232 Ų | 232 | 80.3 Ų | 80.3 | 88% | 0.875 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -25.7 | 169.6 | -72.1 | -169.2 | -108.3 | -165.7 | -4.1 | 113.4 | N252 | N252-R254 PolarHBondContact O-N 2.91Š|
| 255 | T | 42.2 | Very low | 42.5 | Very low | 104 Ų | 104 | 84.7 Ų | 84.7 | 64% | 0.638 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -29.7 | 178.1 | 55.7 | 0 | 0 | 0 | 0 | 113 | N252 G257 | N252-T255 PolarHBondContact O-N 3.21Å; N252-T255 PolarHBondContact O-OG1 3.47Å; N252-T255 VanDerWaalsContact O-OG1 3.07Å; T255-G257 VanDerWaalsContact C-N 3.29Å; T255-G257 PolarHBondContact O-N 3.38Å |
| 256 | T | 39.8 | Very low | 41.4 | Very low | 15 Ų | 15 | 84.8 Ų | 84.8 | 9% | 0.092 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -77.3 | 87.4 | 159.3 | 51.2 | 0 | 0 | 0 | 0 | 108.5 | Y258 | T256-Y258 VanDerWaalsContact CB-CE2 3.45Å; T256-Y258 HydrophobicContact CG2-CE2 4.23Å; T256-Y258 WeakPolarHBondContact O-CD2 3.13Å; T256-Y258 PolarHBondContact O-N 3.32Å; T256-Y258 WeakPolarHBondContact OG1-CE2 3.41Å |
| 257 | G | 38.1 | Very low | 40.3 | Very low | 57 Ų | 57 | 81.8 Ų | 81.8 | 59% | 0.588 | 43% | 0.431 | S | S | * | . | trans | -68.9 | 67.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T255 R259 | T255-G257 VanDerWaalsContact C-N 3.29Å; T255-G257 PolarHBondContact O-N 3.38Å; G257-R259 VanDerWaalsContact C-N 3.3Å; G257-R259 WeakPolarHBondContact O-CG 3.39Å; G257-R259 PolarHBondContact O-N 2.89Å | ||
| 258 | Y | 43.4 | Very low | 39.5 | Very low | 49 Ų | 49 | 78 Ų | 78 | 19% | 0.192 | 42% | 0.424 | C | S | . | . | trans | -63.9 | 86.4 | 175.6 | -67.2 | -65.1 | 0 | 0 | 0 | 110.5 | N237 L251 T256 I260 L463 | N237-Y258 WeakPolarHBondContact OD1-CD1 3.42Å; N237-Y258 WeakPolarHBondContact OD1-CE1 3.5Å; L251-Y258 HydrophobicContact CD2-CE2 3.82Å; T256-Y258 VanDerWaalsContact CB-CE2 3.45Å; T256-Y258 HydrophobicContact CG2-CE2 4.23Å; T256-Y258 WeakPolarHBondContact O-CD2 3.13Å; T256-Y258 PolarHBondContact O-N 3.32Å; T256-Y258 WeakPolarHBondContact OG1-CE2 3.41Å; Y258-I260 VanDerWaalsContact C-N 3.31Å; Y258-I260 PolarHBondContact O-N 3.43Å; Y258-L463 HydrophobicContact CE1-CD1 4.33Å; Y258-L463 WeakPolarHBondContact OH-CD1 3.2Å; Y258-L463 WeakPolarHBondContact OH-CD2 3.27Å | ||
| 259 | R | 39.1 | Very low | 38.9 | Very low | 140 Ų | 140 | 77.9 Ų | 77.9 | 53% | 0.528 | 42% | 0.416 | S | S | . | . | trans | -77.6 | 75.7 | -178.9 | -61 | -167.4 | -161.3 | 154.4 | 2.3 | 111.4 | G257 H261 G262 T263 E452 | G257-R259 VanDerWaalsContact C-N 3.3Å; G257-R259 WeakPolarHBondContact O-CG 3.39Å; G257-R259 PolarHBondContact O-N 2.89Å; R259-H261 PolarHBondContact O-N 2.88Å; R259-H261 VanDerWaalsContact O-N 3.13Å; R259-G262 PolarHBondContact O-N 3.28Å; R259-T263 PolarHBondContact NH1-OG1 2.78Å; R259-E452 IonicContact CZ-OE1 2.7Å; R259-E452 IonicContact NH1-OE1 2.64Å; R259-E452 PolarHBondContact NH1-OE1 2.86Å; R259-E452 IonicContact NH2-OE1 2.76Å | ||
| 260 | I | 40.6 | Very low | 38.3 | Very low | 57 Ų | 57 | 72 Ų | 72 | 29% | 0.292 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -20.2 | 161.2 | -55.8 | 175.9 | 0 | 0 | 0 | 110.3 | H241 Y258 | H241-I260 WeakPolarHBondContact ND1-CD1 3.21Å; Y258-I260 VanDerWaalsContact C-N 3.31Å; Y258-I260 PolarHBondContact O-N 3.43Å |
| 261 | H | 34.3 | Very low | 37.6 | Very low | 139 Ų | 139 | 69.7 Ų | 69.7 | 64% | 0.644 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | 63.6 | 171.7 | -54.2 | -43.6 | 0 | 0 | 0 | 110.2 | R259 | R259-H261 PolarHBondContact O-N 2.88Å; R259-H261 VanDerWaalsContact O-N 3.13Å |
| 262 | G | 31.6 | Very low | 37.2 | Very low | 18 Ų | 18 | 75.3 Ų | 75.3 | 19% | 0.186 | 40% | 0.4 | C | S | . | . | trans | -62.2 | 141.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | R259 | R259-G262 PolarHBondContact O-N 3.28Š| ||
| 263 | T | 30.4 | Very low | 37 | Very low | 110 Ų | 110 | 70.9 Ų | 70.9 | 68% | 0.675 | 38% | 0.376 | S | S | * | . | trans | -92.8 | 1.9 | -176.3 | 42.6 | 0 | 0 | 0 | 0 | 114.6 | R259 T265 | R259-T263 PolarHBondContact NH1-OG1 2.78Å; T263-T265 PolarHBondContact O-N 3.09Å | ||
| 264 | C | 32.2 | Very low | 36.8 | Very low | 16 Ų | 16 | 69.4 Ų | 69.4 | 11% | 0.108 | 37% | 0.372 | C | S | . | . | trans | -55.5 | 138.8 | 173.5 | 160.3 | 0 | 0 | 0 | 0 | 110.3 | V267 A268 E449 E452 | C264-V267 HydrophobicContact CB-CB 3.74Å; C264-V267 HydrophobicContact CB-CG2 3.76Å; C264-V267 CarbonylContact O-C 3.46Å; C264-V267 WeakPolarHBondContact O-CA 3.35Å; C264-V267 VanDerWaalsContact O-CB 3.26Å; C264-V267 WeakPolarHBondContact O-CB 3.18Å; C264-V267 PolarHBondContact O-N 3.35Å; C264-V267 VanDerWaalsContact O-N 3.08Å; C264-V267 PolarHBondContact SG-N 3.04Å; C264-V267 VanDerWaalsContact SG-N 3.44Å; C264-A268 PolarHBondContact O-N 3.04Å; C264-E449 VanDerWaalsContact SG-CG 3.52Å; C264-E452 WeakPolarHBondContact CB-OE2 3.34Å | ||
| 265 | T | 36.1 | Very low | 36.6 | Very low | 105 Ų | 105 | 63.1 Ų | 63.1 | 64% | 0.644 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -73.5 | -28.7 | -172.7 | 46.5 | 0 | 0 | 0 | 0 | 113 | T263 V267 A268 | T263-T265 PolarHBondContact O-N 3.09Å; T265-V267 VanDerWaalsContact C-N 3.34Å; T265-A268 WeakPolarHBondContact O-CA 3.28Å; T265-A268 WeakPolarHBondContact O-CB 3.25Å; T265-A268 PolarHBondContact O-N 3.22Å |
| 266 | V | 34.8 | Very low | 36.6 | Very low | 50 Ų | 50 | 63 Ų | 63 | 30% | 0.303 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -75.9 | -30.3 | 167 | 167.5 | 0 | 0 | 0 | 0 | 110.9 | P195 A268 T269 F270 E449 | P195-V266 HydrophobicContact CB-CG1 3.84Å; P195-V266 HydrophobicContact CG-CG1 3.18Å; V266-A268 PolarHBondContact O-N 2.6Å; V266-T269 WeakPolarHBondContact O-CB 3.49Å; V266-T269 PolarHBondContact O-N 3.48Å; V266-F270 PolarHBondContact O-N 3.14Å; V266-F270 VanDerWaalsContact O-N 3.1Å; V266-E449 WeakPolarHBondContact CB-OE1 3.3Å; V266-E449 WeakPolarHBondContact CG2-OE1 3.45Å |
| 267 | V | 31.7 | Very low | 36.7 | Very low | 32 Ų | 32 | 62.9 Ų | 62.9 | 19% | 0.194 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.1 | -6.1 | 160.8 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | C264 T265 T269 F270 V271 | C264-V267 HydrophobicContact CB-CB 3.74Å; C264-V267 HydrophobicContact CB-CG2 3.76Å; C264-V267 CarbonylContact O-C 3.46Å; C264-V267 WeakPolarHBondContact O-CA 3.35Å; C264-V267 VanDerWaalsContact O-CB 3.26Å; C264-V267 WeakPolarHBondContact O-CB 3.18Å; C264-V267 PolarHBondContact O-N 3.35Å; C264-V267 VanDerWaalsContact O-N 3.08Å; C264-V267 PolarHBondContact SG-N 3.04Å; C264-V267 VanDerWaalsContact SG-N 3.44Å; T265-V267 VanDerWaalsContact C-N 3.34Å; V267-T269 VanDerWaalsContact C-N 3.35Å; V267-F270 HydrophobicContact CG1-CD1 4.25Å; V267-V271 HydrophobicContact CG1-CB 4.33Å; V267-V271 HydrophobicContact CG1-CG2 3.43Å; V267-V271 VanDerWaalsContact CG1-CG2 3.43Å; V267-V271 WeakPolarHBondContact O-CA 3.29Å; V267-V271 WeakPolarHBondContact O-CB 3.47Å; V267-V271 WeakPolarHBondContact O-CG2 3.43Å; V267-V271 PolarHBondContact O-N 3.4Å |
| 268 | A | 35.3 | Very low | 37.1 | Very low | 52 Ų | 52 | 63.1 Ų | 63.1 | 43% | 0.43 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -71.3 | -31.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | C264 T265 V266 K272 | C264-A268 PolarHBondContact O-N 3.04Å; T265-A268 WeakPolarHBondContact O-CA 3.28Å; T265-A268 WeakPolarHBondContact O-CB 3.25Å; T265-A268 PolarHBondContact O-N 3.22Å; V266-A268 PolarHBondContact O-N 2.6Å; A268-K272 WeakPolarHBondContact O-CB 3.26Å; A268-K272 WeakPolarHBondContact O-CG 3.24Å; A268-K272 PolarHBondContact O-N 3.32Å |
| 269 | T | 36.4 | Very low | 37.5 | Very low | 65 Ų | 65 | 62.3 Ų | 62.3 | 40% | 0.399 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -77.4 | -39.7 | 171.7 | -48.3 | 0 | 0 | 0 | 0 | 110.5 | V266 V267 K272 L273 | V266-T269 WeakPolarHBondContact O-CB 3.49Å; V266-T269 PolarHBondContact O-N 3.48Å; V267-T269 VanDerWaalsContact C-N 3.35Å; T269-K272 WeakPolarHBondContact O-CB 3.34Å; T269-K272 PolarHBondContact O-N 3.32Å; T269-L273 HydrophobicContact CG2-CD1 4.39Å; T269-L273 WeakPolarHBondContact O-CB 3.43Å; T269-L273 PolarHBondContact O-N 3.16Å |
| 270 | F | 35.7 | Very low | 38.6 | Very low | 19 Ų | 19 | 58.3 Ų | 58.3 | 8% | 0.083 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -74.1 | -43.2 | 177.2 | 177.3 | -110.8 | 0 | 0 | 0 | 113.8 | P195 G197 D200 V266 V267 K272 L273 V274 | P195-F270 HydrophobicContact CB-CB 4.42Å; P195-F270 HydrophobicContact CG-CB 4.49Å; G197-F270 WeakPolarHBondContact O-CE2 3.26Å; G197-F270 WeakPolarHBondContact O-CZ 3.23Å; D200-F270 HydrophobicContact CB-CZ 4.09Å; V266-F270 PolarHBondContact O-N 3.14Å; V266-F270 VanDerWaalsContact O-N 3.1Å; V267-F270 HydrophobicContact CG1-CD1 4.25Å; F270-K272 VanDerWaalsContact C-N 3.31Å; F270-K272 PolarHBondContact O-N 3.2Å; F270-L273 HydrophobicContact CD2-CB 4.49Å; F270-L273 CarbonylContact O-C 3.59Å; F270-L273 WeakPolarHBondContact O-CA 3.19Å; F270-L273 WeakPolarHBondContact O-CB 3.46Å; F270-L273 PolarHBondContact O-N 2.89Å; F270-V274 HydrophobicContact CD1-CG2 4.2Å; F270-V274 HydrophobicContact CD2-CG2 4.1Å; F270-V274 HydrophobicContact CE1-CG2 3.49Å; F270-V274 VanDerWaalsContact CE1-CG2 3.49Å; F270-V274 HydrophobicContact CE2-CG2 3.34Å; F270-V274 HydrophobicContact CG-CG2 4.46Å; F270-V274 HydrophobicContact CZ-CB 4.45Å; F270-V274 HydrophobicContact CZ-CG2 2.97Å; F270-V274 PolarHBondContact O-N 2.81Å |
| 271 | V | 35 | Very low | 40 | Very low | 30 Ų | 30 | 56.6 Ų | 56.6 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.7 | -39.2 | 165.8 | 165.4 | 0 | 0 | 0 | 0 | 110.3 | V267 L273 V274 I275 | V267-V271 HydrophobicContact CG1-CB 4.33Å; V267-V271 HydrophobicContact CG1-CG2 3.43Å; V267-V271 VanDerWaalsContact CG1-CG2 3.43Å; V267-V271 WeakPolarHBondContact O-CA 3.29Å; V267-V271 WeakPolarHBondContact O-CB 3.47Å; V267-V271 WeakPolarHBondContact O-CG2 3.43Å; V267-V271 PolarHBondContact O-N 3.4Å; V271-L273 VanDerWaalsContact C-N 3.26Å; V271-L273 PolarHBondContact O-N 2.92Å; V271-V274 PolarHBondContact O-N 3.2Å; V271-I275 HydrophobicContact CG1-CD1 3.35Å; V271-I275 HydrophobicContact CG1-CG1 3.84Å; V271-I275 WeakPolarHBondContact O-CA 3.4Å; V271-I275 WeakPolarHBondContact O-CB 3.49Å; V271-I275 WeakPolarHBondContact O-CG1 3.26Å; V271-I275 PolarHBondContact O-N 2.81Å |
| 272 | K | 36 | Very low | 42.2 | Very low | 142 Ų | 142 | 56.3 Ų | 56.3 | 62% | 0.617 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -55.5 | -45 | 168.2 | -91.3 | 173.9 | 178.2 | 174.9 | 0 | 110.8 | A268 T269 F270 I275 L276 | A268-K272 WeakPolarHBondContact O-CB 3.26Å; A268-K272 WeakPolarHBondContact O-CG 3.24Å; A268-K272 PolarHBondContact O-N 3.32Å; T269-K272 WeakPolarHBondContact O-CB 3.34Å; T269-K272 PolarHBondContact O-N 3.32Å; F270-K272 VanDerWaalsContact C-N 3.31Å; F270-K272 PolarHBondContact O-N 3.2Å; K272-I275 CarbonylContact O-C 3.45Å; K272-L276 HydrophobicContact CB-CD1 4.43Å; K272-L276 WeakPolarHBondContact O-CA 3.44Å; K272-L276 WeakPolarHBondContact O-CB 3.18Å; K272-L276 VanDerWaalsContact O-CD1 3.29Å; K272-L276 WeakPolarHBondContact O-CD1 3.41Å; K272-L276 WeakPolarHBondContact O-CG 3.39Å; K272-L276 PolarHBondContact O-N 3.06Å |
| 273 | L | 38.1 | Very low | 44.7 | Very low | 9 Ų | 9 | 55.7 Ų | 55.7 | 5% | 0.047 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71 | -38.3 | -179.6 | -97.8 | 146.4 | 0 | 0 | 0 | 114.9 | P149 L152 Y198 T269 F270 V271 L276 A277 | P149-L273 HydrophobicContact CB-CD2 4.34Å; P149-L273 HydrophobicContact CG-CD2 3.71Å; P149-L273 HydrophobicContact CG-CG 4.39Å; L152-L273 HydrophobicContact CD1-CD2 4.02Å; Y198-L273 HydrophobicContact CE1-CD2 4.41Å; Y198-L273 HydrophobicContact CE2-CD1 4.13Å; Y198-L273 WeakPolarHBondContact OH-CD1 3.13Å; Y198-L273 WeakPolarHBondContact OH-CD2 3.34Å; T269-L273 HydrophobicContact CG2-CD1 4.39Å; T269-L273 WeakPolarHBondContact O-CB 3.43Å; T269-L273 PolarHBondContact O-N 3.16Å; F270-L273 HydrophobicContact CD2-CB 4.49Å; F270-L273 CarbonylContact O-C 3.59Å; F270-L273 WeakPolarHBondContact O-CA 3.19Å; F270-L273 WeakPolarHBondContact O-CB 3.46Å; F270-L273 PolarHBondContact O-N 2.89Å; V271-L273 VanDerWaalsContact C-N 3.26Å; V271-L273 PolarHBondContact O-N 2.92Å; L273-L276 CarbonylContact O-C 3.56Å; L273-L276 PolarHBondContact O-N 3.32Å; L273-A277 WeakPolarHBondContact O-CB 3.42Å; L273-A277 PolarHBondContact O-N 3.46Å |
| 274 | V | 39.5 | Very low | 47.3 | Very low | 17 Ų | 17 | 53.6 Ų | 53.6 | 10% | 0.103 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.4 | -47.2 | 171.1 | 177.3 | 0 | 0 | 0 | 0 | 109.7 | D200 F270 V271 L276 A277 W278 | D200-V274 HydrophobicContact CB-CG2 4.49Å; F270-V274 HydrophobicContact CD1-CG2 4.2Å; F270-V274 HydrophobicContact CD2-CG2 4.1Å; F270-V274 HydrophobicContact CE1-CG2 3.49Å; F270-V274 VanDerWaalsContact CE1-CG2 3.49Å; F270-V274 HydrophobicContact CE2-CG2 3.34Å; F270-V274 HydrophobicContact CG-CG2 4.46Å; F270-V274 HydrophobicContact CZ-CB 4.45Å; F270-V274 HydrophobicContact CZ-CG2 2.97Å; F270-V274 PolarHBondContact O-N 2.81Å; V271-V274 PolarHBondContact O-N 3.2Å; V274-L276 PolarHBondContact O-N 3.31Å; V274-A277 PolarHBondContact O-N 3.24Å; V274-W278 HydrophobicContact CG1-CG 4.19Å; V274-W278 WeakPolarHBondContact O-CA 3.38Å; V274-W278 WeakPolarHBondContact O-CB 3.37Å; V274-W278 PolarHBondContact O-N 3.29Å |
| 275 | I | 38.6 | Very low | 49.8 | Very low | 99 Ų | 99 | 53.7 Ų | 53.7 | 51% | 0.508 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.1 | -30 | 174.9 | -67.5 | -178.4 | 0 | 0 | 0 | 111.1 | V271 K272 A279 | V271-I275 HydrophobicContact CG1-CD1 3.35Å; V271-I275 HydrophobicContact CG1-CG1 3.84Å; V271-I275 WeakPolarHBondContact O-CA 3.4Å; V271-I275 WeakPolarHBondContact O-CB 3.49Å; V271-I275 WeakPolarHBondContact O-CG1 3.26Å; V271-I275 PolarHBondContact O-N 2.81Å; K272-I275 CarbonylContact O-C 3.45Å; I275-A279 WeakPolarHBondContact O-CA 3.12Å; I275-A279 WeakPolarHBondContact O-CB 3.41Å; I275-A279 PolarHBondContact O-N 2.79Å |
| 276 | L | 42 | Very low | 51.9 | Low | 101 Ų | 101 | 56.9 Ų | 56.9 | 53% | 0.529 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -80.2 | -30.8 | 174 | -79.1 | 162.5 | 0 | 0 | 0 | 113.1 | K272 L273 V274 A279 | K272-L276 HydrophobicContact CB-CD1 4.43Å; K272-L276 WeakPolarHBondContact O-CA 3.44Å; K272-L276 WeakPolarHBondContact O-CB 3.18Å; K272-L276 VanDerWaalsContact O-CD1 3.29Å; K272-L276 WeakPolarHBondContact O-CD1 3.41Å; K272-L276 WeakPolarHBondContact O-CG 3.39Å; K272-L276 PolarHBondContact O-N 3.06Å; L273-L276 CarbonylContact O-C 3.56Å; L273-L276 PolarHBondContact O-N 3.32Å; V274-L276 PolarHBondContact O-N 3.31Å; L276-A279 VanDerWaalsContact O-CB 3.27Å; L276-A279 WeakPolarHBondContact O-CB 3.31Å; L276-A279 PolarHBondContact O-N 2.68Å |
| 277 | A | 41 | Very low | 53.9 | Low | 13 Ų | 13 | 61.3 Ų | 61.3 | 11% | 0.107 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -79 | -42.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V201 R208 L273 V274 | V201-A277 HydrophobicContact CG1-CB 3.88Å; V201-A277 HydrophobicContact CG2-CB 4.11Å; R208-A277 PolarHBondContact NH1-O 2.99Å; R208-A277 PolarHBondContact NH2-O 2.84Å; L273-A277 WeakPolarHBondContact O-CB 3.42Å; L273-A277 PolarHBondContact O-N 3.46Å; V274-A277 PolarHBondContact O-N 3.24Å |
| 278 | W | 46.9 | Very low | 56.4 | Low | 63 Ų | 63 | 60.7 Ų | 60.7 | 24% | 0.239 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -75.8 | -6 | 167.1 | -73.4 | 47.1 | 0 | 0 | 0 | 112.5 | V274 P280 P340 L341 | V274-W278 HydrophobicContact CG1-CG 4.19Å; V274-W278 WeakPolarHBondContact O-CA 3.38Å; V274-W278 WeakPolarHBondContact O-CB 3.37Å; V274-W278 PolarHBondContact O-N 3.29Å; W278-P280 VanDerWaalsContact O-N 3.14Å; W278-P340 HydrophobicContact CB-CG 4.39Å; W278-P340 HydrophobicContact CD2-CB 3.97Å; W278-P340 HydrophobicContact CD2-CG 4.26Å; W278-P340 HydrophobicContact CE3-CB 3.53Å; W278-P340 HydrophobicContact CE3-CG 3.81Å; W278-P340 HydrophobicContact CH2-CB 4.39Å; W278-P340 HydrophobicContact CZ3-CB 3.77Å; W278-P340 HydrophobicContact CZ3-CG 4.45Å; W278-L341 WeakPolarHBondContact CZ3-O 2.95Å |
| 279 | A | 53.5 | Low | 58 | Low | 32 Ų | 32 | 62.9 Ų | 62.9 | 26% | 0.264 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -55.2 | 126.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | I275 L276 T281 | I275-A279 WeakPolarHBondContact O-CA 3.12Å; I275-A279 WeakPolarHBondContact O-CB 3.41Å; I275-A279 PolarHBondContact O-N 2.79Å; L276-A279 VanDerWaalsContact O-CB 3.27Å; L276-A279 WeakPolarHBondContact O-CB 3.31Å; L276-A279 PolarHBondContact O-N 2.68Å; A279-T281 PolarHBondContact O-N 3.21Å |
| 280 | P | 61.7 | Low | 59.3 | Low | 56 Ų | 56 | 62.7 Ų | 62.7 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 120.3 | -179.4 | 27.8 | -35.2 | 0 | 0 | 0 | 107.3 | W278 R282 L295 | W278-P280 VanDerWaalsContact O-N 3.14Å; P280-R282 PolarHBondContact O-N 2.77Å; P280-L295 HydrophobicContact CB-CD1 3.78Å; P280-L295 HydrophobicContact CB-CD2 3.68Å; P280-L295 HydrophobicContact CB-CG 4.27Å; P280-L295 HydrophobicContact CG-CD1 4.13Å; P280-L295 HydrophobicContact CG-CD2 3.74Å |
| 281 | T | 70.2 | Confident | 60.3 | Low | 21 Ų | 21 | 63.5 Ų | 63.5 | 13% | 0.129 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 137.3 | -171.7 | -64.2 | 0 | 0 | 0 | 0 | 109.6 | A279 L295 S296 F317 Y337 | A279-T281 PolarHBondContact O-N 3.21Å; T281-L295 WeakPolarHBondContact O-CA 3.45Å; T281-S296 WeakPolarHBondContact CB-OG 3.42Å; T281-S296 PolarHBondContact O-N 3.31Å; T281-S296 PolarHBondContact O-OG 3.47Å; T281-S296 VanDerWaalsContact O-OG 3.05Å; T281-F317 HydrophobicContact CG2-CB 3.9Å; T281-F317 HydrophobicContact CG2-CD1 3.8Å; T281-F317 HydrophobicContact CG2-CD2 4.31Å; T281-F317 HydrophobicContact CG2-CE1 4.5Å; T281-F317 HydrophobicContact CG2-CG 3.71Å; T281-Y337 WeakPolarHBondContact CB-OH 3.29Å; T281-Y337 PolarHBondContact OG1-OH 2.99Å |
| 282 | R | 79 | Confident | 61.4 | Low | 133 Ų | 133 | 67.6 Ų | 67.6 | 50% | 0.502 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -94.8 | 161.4 | -174.8 | -68.7 | 161.9 | 171.4 | -120.2 | 9.2 | 110.8 | P280 D292 | P280-R282 PolarHBondContact O-N 2.77Å; R282-D292 WeakPolarHBondContact CB-O 3.49Å; R282-D292 WeakPolarHBondContact CD-O 3.49Å; R282-D292 WeakPolarHBondContact CG-O 3.19Å; R282-D292 PolarHBondContact NH1-O 3.35Å |
| 283 | C | 85.8 | Confident | 62.9 | Low | 4 Ų | 4 | 68.2 Ų | 68.2 | 3% | 0.027 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 129.7 | 177.3 | -170 | 0 | 0 | 0 | 0 | 111.5 | N294 F317 C319 | C283-N294 HydrophobicContact CB-CB 4.34Å; C283-N294 WeakPolarHBondContact CB-O 3.49Å; C283-N294 PolarHBondContact N-O 2.96Å; C283-F317 WeakPolarHBondContact CA-O 3.36Å; C283-C319 HydrophobicContact CB-CB 3.96Å |
| 284 | Q | 85 | Confident | 64.9 | Low | 66 Ų | 66 | 69.8 Ų | 69.8 | 31% | 0.308 | 37% | 0.37 | S | S | . | . | trans | -102.9 | 9.9 | -175.7 | -68.3 | 177.4 | -36.3 | 0 | 0 | 114.1 | R286 L316 F317 | Q284-R286 PolarHBondContact O-N 3.13Å; Q284-L316 HydrophobicContact CB-CD1 3.67Å; Q284-F317 HydrophobicContact CG-CB 4.31Å; Q284-F317 PolarHBondContact N-O 3Å; Q284-F317 VanDerWaalsContact OE1-N 3.14Å | ||
| 285 | Q | 83 | Confident | 66.7 | Low | 18 Ų | 18 | 72.6 Ų | 72.6 | 8% | 0.084 | 38% | 0.384 | C | S | . | . | trans | -72.2 | 123.4 | 179.2 | -176 | 72.6 | -24 | 0 | 0 | 110.7 | N287 C288 Y305 L318 C322 | Q285-N287 PolarHBondContact O-N 2.75Å; Q285-C288 HydrophobicContact CB-CB 4.44Å; Q285-C288 WeakPolarHBondContact O-CB 3.43Å; Q285-C288 PolarHBondContact O-N 3Å; Q285-Y305 PolarHBondContact NE2-OH 3.28Å; Q285-L318 HydrophobicContact CB-CD2 4.12Å; Q285-C322 HydrophobicContact CB-CB 4.24Å; Q285-C322 HydrophobicContact CG-CB 4.4Å | ||
| 286 | R | 81.2 | Confident | 68.7 | Low | 172 Ų | 172 | 67.9 Ų | 67.9 | 65% | 0.649 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -30.9 | -171.4 | -169.9 | 177.2 | -172.5 | 154 | 7 | 115.1 | Q284 Y309 D311 | Q284-R286 PolarHBondContact O-N 3.13Å; R286-Y309 VanDerWaalsContact CB-O 3.23Å; R286-Y309 WeakPolarHBondContact CB-O 3.25Å; R286-Y309 PolarHBondContact N-O 3.27Å; R286-D311 IonicContact NH1-OD2 2.65Å; R286-D311 PolarHBondContact NH1-OD2 2.9Å |
| 287 | N | 76.9 | Confident | 70.5 | Confident | 144 Ų | 144 | 64 Ų | 64 | 77% | 0.77 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | 28.4 | -179.2 | -62.4 | -5 | 0 | 0 | 0 | 112.8 | Q285 S289 | Q285-N287 PolarHBondContact O-N 2.75Å; N287-S289 PolarHBondContact O-N 3.09Å |
| 288 | C | 84.1 | Confident | 72.4 | Confident | 19 Ų | 19 | 67.1 Ų | 67.1 | 13% | 0.128 | 35% | 0.351 | C | S | . | . | trans | -57.8 | 119.1 | 178.3 | -176.3 | 0 | 0 | 0 | 0 | 111.3 | Q285 S290 G291 | Q285-C288 HydrophobicContact CB-CB 4.44Å; Q285-C288 WeakPolarHBondContact O-CB 3.43Å; Q285-C288 PolarHBondContact O-N 3Å; C288-S290 PolarHBondContact O-N 3.26Å; C288-G291 PolarHBondContact O-N 3.48Å; C288-G291 VanDerWaalsContact O-N 3.15Å | ||
| 289 | S | 69.1 | Low | 74 | Confident | 97 Ų | 97 | 65.2 Ų | 65.2 | 68% | 0.678 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -6.9 | -168.2 | 53.8 | 0 | 0 | 0 | 0 | 116.2 | N287 | N287-S289 PolarHBondContact O-N 3.09Š|
| 290 | S | 63.5 | Low | 75.5 | Confident | 61 Ų | 61 | 63.7 Ų | 63.7 | 43% | 0.427 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 9 | 179 | -38 | 0 | 0 | 0 | 0 | 113.6 | C288 N294 | C288-S290 PolarHBondContact O-N 3.26Å; S290-N294 VanDerWaalsContact CB-ND2 3.28Å; S290-N294 WeakPolarHBondContact CB-ND2 3.46Å; S290-N294 PolarHBondContact OG-ND2 3.48Å |
| 291 | G | 56.3 | Low | 76.3 | Confident | 37 Ų | 37 | 61.7 Ų | 61.7 | 38% | 0.381 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | 61.7 | -160.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C288 E293 | C288-G291 PolarHBondContact O-N 3.48Å; C288-G291 VanDerWaalsContact O-N 3.15Å; G291-E293 PolarHBondContact O-N 2.98Å |
| 292 | D | 57.7 | Low | 76.9 | Confident | 115 Ų | 115 | 60.7 Ų | 60.7 | 62% | 0.615 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -74.9 | 7.5 | -165.7 | -61.2 | -48 | 0 | 0 | 0 | 115.5 | R282 | R282-D292 WeakPolarHBondContact CB-O 3.49Å; R282-D292 WeakPolarHBondContact CD-O 3.49Å; R282-D292 WeakPolarHBondContact CG-O 3.19Å; R282-D292 PolarHBondContact NH1-O 3.35Å |
| 293 | E | 68.6 | Low | 76.9 | Confident | 155 Ų | 155 | 54.4 Ų | 54.4 | 72% | 0.724 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -82.8 | -24.7 | -174.3 | -62 | -158.4 | 152.4 | 0 | 0 | 114.6 | G291 L295 | G291-E293 PolarHBondContact O-N 2.98Å; E293-L295 PolarHBondContact O-N 3.43Å |
| 294 | N | 78.8 | Confident | 76.7 | Confident | 42 Ų | 42 | 55.4 Ų | 55.4 | 23% | 0.225 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -71 | 118.5 | -174 | -82.1 | -33.7 | 0 | 0 | 0 | 112.6 | C283 S290 C319 | C283-N294 HydrophobicContact CB-CB 4.34Å; C283-N294 WeakPolarHBondContact CB-O 3.49Å; C283-N294 PolarHBondContact N-O 2.96Å; S290-N294 VanDerWaalsContact CB-ND2 3.28Å; S290-N294 WeakPolarHBondContact CB-ND2 3.46Å; S290-N294 PolarHBondContact OG-ND2 3.48Å; N294-C319 HydrophobicContact CB-CB 3.7Å |
| 295 | L | 78.3 | Confident | 76.7 | Confident | 76 Ų | 76 | 52.8 Ų | 52.8 | 40% | 0.398 | 28% | 0.281 | S | S | . | . | B | Isolated β-bridge | trans | -69.2 | 139.4 | 178.4 | -55.8 | -173.8 | 0 | 0 | 0 | 112.6 | P280 T281 E293 C319 | P280-L295 HydrophobicContact CB-CD1 3.78Å; P280-L295 HydrophobicContact CB-CD2 3.68Å; P280-L295 HydrophobicContact CB-CG 4.27Å; P280-L295 HydrophobicContact CG-CD1 4.13Å; P280-L295 HydrophobicContact CG-CD2 3.74Å; T281-L295 WeakPolarHBondContact O-CA 3.45Å; E293-L295 PolarHBondContact O-N 3.43Å; L295-C319 WeakPolarHBondContact O-CA 3.42Å; L295-C319 VanDerWaalsContact O-CB 3.3Å; L295-C319 WeakPolarHBondContact O-CB 3.47Å |
| 296 | S | 79.8 | Confident | 77 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 130.6 | 175.8 | 66.4 | 0 | 0 | 0 | 0 | 111.3 | T281 L318 Y337 Q339 | T281-S296 WeakPolarHBondContact CB-OG 3.42Å; T281-S296 PolarHBondContact O-N 3.31Å; T281-S296 PolarHBondContact O-OG 3.47Å; T281-S296 VanDerWaalsContact O-OG 3.05Å; S296-L318 VanDerWaalsContact CA-O 3.29Å; S296-L318 WeakPolarHBondContact CA-O 3.49Å; S296-Y337 WeakPolarHBondContact O-CD1 3.48Å; S296-Q339 PolarHBondContact O-NE2 2.72Å |
| 297 | V | 79.3 | Confident | 77.1 | Confident | 20 Ų | 20 | 43.8 Ų | 43.8 | 12% | 0.121 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | -12.3 | 174.6 | -65.9 | 0 | 0 | 0 | 0 | 112.2 | L318 Y337 Y375 | V297-L318 PolarHBondContact N-O 3.01Å; V297-Y337 PolarHBondContact O-N 2.71Å; V297-Y375 HydrophobicContact CG1-CD2 4.01Å; V297-Y375 HydrophobicContact CG1-CE2 3.97Å; V297-Y375 HydrophobicContact CG1-CG 4.38Å |
| 298 | K | 82.5 | Confident | 77.4 | Confident | 79 Ų | 79 | 42.3 Ų | 42.3 | 34% | 0.343 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 154.7 | 174.5 | -66.7 | -170 | 176.5 | -169 | 0 | 110.5 | L318 L334 S335 | K298-L318 PolarHBondContact N-O 3.47Å; K298-L318 PolarHBondContact O-N 3.28Å; K298-L318 VanDerWaalsContact O-O 3.07Å; K298-L334 HydrophobicContact CB-CD2 4.38Å; K298-S335 CarbonylContact C-O 3.39Å; K298-S335 VanDerWaalsContact CA-O 3.23Å; K298-S335 WeakPolarHBondContact CA-O 3.24Å |
| 299 | K | 80 | Confident | 77.4 | Confident | 22 Ų | 22 | 46.1 Ų | 46.1 | 10% | 0.096 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 135.3 | 172.4 | 60.4 | -173.1 | 173.7 | 172.6 | 0 | 109.8 | Y301 P315 L316 F317 L334 S335 | K299-Y301 HydrophobicContact CD-CE2 4.02Å; K299-Y301 WeakPolarHBondContact CE-OH 3.5Å; K299-Y301 HydrophobicContact CG-CE2 3.95Å; K299-Y301 PolarHBondContact NZ-OH 3.41Å; K299-P315 HydrophobicContact CB-CB 4.42Å; K299-L316 WeakPolarHBondContact CA-O 3.33Å; K299-F317 HydrophobicContact CB-CD1 4.07Å; K299-F317 HydrophobicContact CB-CE1 3.92Å; K299-F317 HydrophobicContact CB-CZ 4.42Å; K299-F317 HydrophobicContact CD-CE1 4.26Å; K299-L334 WeakPolarHBondContact O-CA 3.43Å; K299-S335 WeakPolarHBondContact CE-OG 3.37Å; K299-S335 WeakPolarHBondContact CG-OG 3.44Å; K299-S335 PolarHBondContact N-O 3.39Å; K299-S335 PolarHBondContact O-N 2.73Å |
| 300 | C | 84.6 | Confident | 78 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 133.3 | 179.8 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | P315 L316 L318 S333 L334 | C300-P315 CarbonylContact O-C 3.58Å; C300-P315 WeakPolarHBondContact O-CA 3.45Å; C300-P315 WeakPolarHBondContact O-CB 3.31Å; C300-L316 HydrophobicContact CB-CB 4.48Å; C300-L316 PolarHBondContact N-O 2.89Å; C300-L316 PolarHBondContact O-N 2.88Å; C300-L318 HydrophobicContact CB-CD1 3.9Å; C300-S333 WeakPolarHBondContact CA-O 3.34Å; C300-L334 HydrophobicContact CB-CD2 3.78Å |
| 301 | Y | 79.3 | Confident | 79 | Confident | 15 Ų | 15 | 42.1 Ų | 42.1 | 6% | 0.059 | 22% | 0.215 | C | C | . | . | trans | -102.9 | -7.5 | 179.7 | -74 | -87.5 | 0 | 0 | 0 | 115.2 | L64 K299 P303 P314 P315 S333 | L64-Y301 WeakPolarHBondContact CD1-O 3.23Å; L64-Y301 HydrophobicContact CD2-CD1 4.07Å; L64-Y301 HydrophobicContact CD2-CG 3.92Å; K299-Y301 HydrophobicContact CD-CE2 4.02Å; K299-Y301 WeakPolarHBondContact CE-OH 3.5Å; K299-Y301 HydrophobicContact CG-CE2 3.95Å; K299-Y301 PolarHBondContact NZ-OH 3.41Å; Y301-P303 WeakPolarHBondContact O-CD 3.32Å; Y301-P314 VanDerWaalsContact O-CB 3.29Å; Y301-P314 WeakPolarHBondContact O-CB 3.36Å; Y301-P314 WeakPolarHBondContact O-CG 3.35Å; Y301-P315 HydrophobicContact CD1-CB 3.75Å; Y301-P315 HydrophobicContact CD1-CG 4.36Å; Y301-P315 HydrophobicContact CE1-CB 3.63Å; Y301-P315 HydrophobicContact CE1-CG 3.82Å; Y301-P315 HydrophobicContact CE2-CB 4.42Å; Y301-P315 HydrophobicContact CG-CB 4.19Å; Y301-S333 PolarHBondContact N-O 3.26Å | ||
| 302 | C | 82.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -62 | 118.2 | -171.9 | 180 | 0 | 0 | 0 | 0 | 112.5 | T62 V304 Y305 C306 V330 | T62-C302 PolarHBondContact O-SG 3.48Å; C302-V304 PolarHBondContact O-N 2.96Å; C302-Y305 PolarHBondContact O-N 3.22Å; C302-C306 PolarHBondContact O-N 2.86Å; C302-C306 PolarHBondContact O-SG 2.89Å; C302-V330 HydrophobicContact CB-CG1 3.49Å; C302-V330 VanDerWaalsContact CB-CG1 3.49Å | ||
| 303 | P | 79.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.7 | -44.7 | -171.4 | -23.5 | 33.4 | 0 | 0 | 0 | 114.1 | L56 L64 F67 Y301 C306 A307 P314 | L56-P303 HydrophobicContact CD2-CB 4.12Å; L64-P303 HydrophobicContact CD1-CG 4.14Å; F67-P303 HydrophobicContact CD2-CG 4.23Å; F67-P303 HydrophobicContact CE2-CG 3.88Å; F67-P303 HydrophobicContact CZ-CG 4.18Å; Y301-P303 WeakPolarHBondContact O-CD 3.32Å; P303-C306 PolarHBondContact O-N 3.41Å; P303-A307 WeakPolarHBondContact O-CB 3.45Å; P303-A307 PolarHBondContact O-N 3.36Å; P303-P314 HydrophobicContact CB-CG 4.15Å; P303-P314 HydrophobicContact CG-CG 4.2Å |
| 304 | V | 81.9 | Confident | 82.1 | Confident | 26 Ų | 26 | 30.2 Ų | 30.2 | 16% | 0.158 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.6 | -50.1 | 177.9 | -174.2 | 0 | 0 | 0 | 0 | 110.5 | T59 C302 C306 A307 E308 | T59-V304 VanDerWaalsContact O-CG2 3.29Å; T59-V304 WeakPolarHBondContact O-CG2 3.34Å; C302-V304 PolarHBondContact O-N 2.96Å; V304-C306 PolarHBondContact O-N 3.15Å; V304-A307 PolarHBondContact O-N 2.86Å; V304-E308 VanDerWaalsContact O-CB 3.3Å; V304-E308 WeakPolarHBondContact O-CB 3.45Å; V304-E308 PolarHBondContact O-N 3.03Å |
| 305 | Y | 84.9 | Confident | 82.2 | Confident | 11 Ų | 11 | 28.4 Ų | 28.4 | 4% | 0.043 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.8 | -40.7 | -178.6 | -169.7 | -92.8 | 0 | 0 | 0 | 112.5 | Q285 C302 Y309 L316 V326 P327 V330 | Q285-Y305 PolarHBondContact NE2-OH 3.28Å; C302-Y305 PolarHBondContact O-N 3.22Å; Y305-Y309 AromaticContact CD2-CD2 3.57Å; Y305-Y309 HydrophobicContact CD2-CD2 3.57Å; Y305-Y309 AromaticContact CD2-CE2 3.81Å; Y305-Y309 HydrophobicContact CD2-CE2 3.81Å; Y305-Y309 HydrophobicContact CD2-CG 4.43Å; Y305-Y309 AromaticContact CE2-CD2 3.55Å; Y305-Y309 HydrophobicContact CE2-CD2 3.55Å; Y305-Y309 AromaticContact CE2-CE2 3.77Å; Y305-Y309 HydrophobicContact CE2-CE2 3.77Å; Y305-Y309 HydrophobicContact CE2-CG 4.06Å; Y305-Y309 HydrophobicContact CG-CD2 4.09Å; Y305-Y309 PolarHBondContact O-N 3.49Å; Y305-L316 HydrophobicContact CD1-CD2 4.1Å; Y305-L316 HydrophobicContact CE1-CD2 3.95Å; Y305-V326 HydrophobicContact CE1-CG2 4.05Å; Y305-P327 HydrophobicContact CE2-CG 4.47Å; Y305-V330 HydrophobicContact CD2-CG1 4.39Å; Y305-V330 HydrophobicContact CG-CG1 4.15Å |
| 306 | C | 87.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -65 | -44 | 177.2 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | C302 P303 V304 G310 D311 I312 P314 L316 | C302-C306 PolarHBondContact O-N 2.86Å; C302-C306 PolarHBondContact O-SG 2.89Å; P303-C306 PolarHBondContact O-N 3.41Å; V304-C306 PolarHBondContact O-N 3.15Å; C306-G310 CarbonylContact O-C 3.55Å; C306-G310 WeakPolarHBondContact O-CA 3.42Å; C306-G310 PolarHBondContact O-N 2.86Å; C306-D311 PolarHBondContact O-N 3.45Å; C306-D311 VanDerWaalsContact O-N 3.07Å; C306-I312 CarbonylContact C-O 3.5Å; C306-I312 VanDerWaalsContact CB-O 3.26Å; C306-I312 WeakPolarHBondContact CB-O 3.41Å; C306-P314 HydrophobicContact CB-CG 4.11Å; C306-L316 HydrophobicContact CB-CB 4.38Å |
| 307 | A | 84.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | I | π-helix | trans | -73 | -28.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L53 L56 R57 P303 V304 | L53-A307 HydrophobicContact CD2-CB 4.36Å; L56-A307 HydrophobicContact CB-CB 3.9Å; R57-A307 HydrophobicContact CG-CB 3.85Å; R57-A307 PolarHBondContact NE-O 3.39Å; R57-A307 PolarHBondContact NH2-O 3.09Å; P303-A307 WeakPolarHBondContact O-CB 3.45Å; P303-A307 PolarHBondContact O-N 3.36Å; V304-A307 PolarHBondContact O-N 2.86Å |
| 308 | E | 82.4 | Confident | 83.2 | Confident | 114 Ų | 114 | 24.2 Ų | 24.2 | 53% | 0.533 | 12% | 0.115 | S | C | . | . | I | π-helix | trans | -82.4 | -48.3 | 178.2 | -172.4 | 176.2 | -156.9 | 0 | 0 | 112.6 | V304 | V304-E308 VanDerWaalsContact O-CB 3.3Å; V304-E308 WeakPolarHBondContact O-CB 3.45Å; V304-E308 PolarHBondContact O-N 3.03Å |
| 309 | Y | 84.4 | Confident | 83.5 | Confident | 99 Ų | 99 | 20.7 Ų | 20.7 | 39% | 0.388 | 10% | 0.1 | S | C | . | . | I | π-helix | trans | -101 | -22.5 | -172.7 | -65.8 | -92.8 | 0 | 0 | 0 | 114.9 | R286 Y305 | R286-Y309 VanDerWaalsContact CB-O 3.23Å; R286-Y309 WeakPolarHBondContact CB-O 3.25Å; R286-Y309 PolarHBondContact N-O 3.27Å; Y305-Y309 AromaticContact CD2-CD2 3.57Å; Y305-Y309 HydrophobicContact CD2-CD2 3.57Å; Y305-Y309 AromaticContact CD2-CE2 3.81Å; Y305-Y309 HydrophobicContact CD2-CE2 3.81Å; Y305-Y309 HydrophobicContact CD2-CG 4.43Å; Y305-Y309 AromaticContact CE2-CD2 3.55Å; Y305-Y309 HydrophobicContact CE2-CD2 3.55Å; Y305-Y309 AromaticContact CE2-CE2 3.77Å; Y305-Y309 HydrophobicContact CE2-CE2 3.77Å; Y305-Y309 HydrophobicContact CE2-CG 4.06Å; Y305-Y309 HydrophobicContact CG-CD2 4.09Å; Y305-Y309 PolarHBondContact O-N 3.49Å |
| 310 | G | 83.3 | Confident | 83.6 | Confident | 9 Ų | 9 | 22.3 Ų | 22.3 | 9% | 0.093 | 11% | 0.114 | C | C | . | . | I | π-helix | trans | -103 | -23.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | C306 I312 | C306-G310 CarbonylContact O-C 3.55Å; C306-G310 WeakPolarHBondContact O-CA 3.42Å; C306-G310 PolarHBondContact O-N 2.86Å; G310-I312 WeakPolarHBondContact O-CG1 3Å; G310-I312 PolarHBondContact O-N 3.49Å |
| 311 | D | 84.5 | Confident | 83.5 | Confident | 65 Ų | 65 | 26.9 Ų | 26.9 | 35% | 0.348 | 14% | 0.136 | S | C | . | . | S | Bend | trans | 59.6 | 23.9 | -168.8 | -141.3 | -10.3 | 0 | 0 | 0 | 113.3 | R57 R286 C306 | R57-D311 IonicContact CZ-OD1 2.91Å; R57-D311 VanDerWaalsContact NH2-CG 3.29Å; R57-D311 IonicContact NH2-OD1 2.66Å; R57-D311 PolarHBondContact NH2-OD1 2.92Å; R57-D311 IonicContact NH2-OD2 2.74Å; R286-D311 IonicContact NH1-OD2 2.65Å; R286-D311 PolarHBondContact NH1-OD2 2.9Å; C306-D311 PolarHBondContact O-N 3.45Å; C306-D311 VanDerWaalsContact O-N 3.07Å |
| 312 | I | 84.2 | Confident | 84 | Confident | 55 Ų | 55 | 26.3 Ų | 26.3 | 28% | 0.282 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -134.8 | 148.4 | -175.2 | -55.8 | 161.7 | 0 | 0 | 0 | 108.1 | C306 G310 | C306-I312 CarbonylContact C-O 3.5Å; C306-I312 VanDerWaalsContact CB-O 3.26Å; C306-I312 WeakPolarHBondContact CB-O 3.41Å; G310-I312 WeakPolarHBondContact O-CG1 3Å; G310-I312 PolarHBondContact O-N 3.49Å |
| 313 | A | 84.6 | Confident | 84.1 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 2% | 0.017 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 155.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L56 Q118 Y121 | L56-A313 HydrophobicContact CD1-CB 4.34Å; Q118-A313 HydrophobicContact CG-CB 4.39Å; Q118-A313 WeakPolarHBondContact O-CB 3.48Å; Y121-A313 HydrophobicContact CE1-CB 4.49Å |
| 314 | P | 78.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -52.1 | 155.7 | -178.8 | -29.8 | 36.2 | 0 | 0 | 0 | 115.7 | Y121 L122 V158 Y301 P303 C306 | Y121-P314 PolarHBondContact OH-O 3.25Å; L122-P314 HydrophobicContact CD1-CG 4.18Å; V158-P314 WeakPolarHBondContact CG1-O 3.44Å; Y301-P314 VanDerWaalsContact O-CB 3.29Å; Y301-P314 WeakPolarHBondContact O-CB 3.36Å; Y301-P314 WeakPolarHBondContact O-CG 3.35Å; P303-P314 HydrophobicContact CB-CG 4.15Å; P303-P314 HydrophobicContact CG-CG 4.2Å; C306-P314 HydrophobicContact CB-CG 4.11Å |
| 315 | P | 80.8 | Confident | 84.3 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.019 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | cis | -84.6 | 150.4 | -10.6 | 32.4 | -32 | 0 | 0 | 0 | 113.8 | N157 K299 C300 Y301 F317 | N157-P315 WeakPolarHBondContact O-CG 3.08Å; K299-P315 HydrophobicContact CB-CB 4.42Å; C300-P315 CarbonylContact O-C 3.58Å; C300-P315 WeakPolarHBondContact O-CA 3.45Å; C300-P315 WeakPolarHBondContact O-CB 3.31Å; Y301-P315 HydrophobicContact CD1-CB 3.75Å; Y301-P315 HydrophobicContact CD1-CG 4.36Å; Y301-P315 HydrophobicContact CE1-CB 3.63Å; Y301-P315 HydrophobicContact CE1-CG 3.82Å; Y301-P315 HydrophobicContact CE2-CB 4.42Å; Y301-P315 HydrophobicContact CG-CB 4.19Å; P315-F317 HydrophobicContact CG-CE2 3.94Å; P315-F317 HydrophobicContact CG-CZ 4.14Å |
| 316 | L | 85.3 | Confident | 84.3 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 125.8 | 171.3 | -174.4 | 69.3 | 0 | 0 | 0 | 110.7 | Q284 K299 C300 Y305 C306 L318 | Q284-L316 HydrophobicContact CB-CD1 3.67Å; K299-L316 WeakPolarHBondContact CA-O 3.33Å; C300-L316 HydrophobicContact CB-CB 4.48Å; C300-L316 PolarHBondContact N-O 2.89Å; C300-L316 PolarHBondContact O-N 2.88Å; Y305-L316 HydrophobicContact CD1-CD2 4.1Å; Y305-L316 HydrophobicContact CE1-CD2 3.95Å; C306-L316 HydrophobicContact CB-CB 4.38Å; L316-L318 HydrophobicContact CD2-CD2 3.88Å; L316-L318 HydrophobicContact CG-CD2 4Å; L316-L318 HydrophobicContact CG-CG 4.44Å |
| 317 | F | 85.5 | Confident | 84 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 126.8 | 179.5 | -71.9 | -89.5 | 0 | 0 | 0 | 111.8 | N157 T281 C283 Q284 K299 P315 Y337 | N157-F317 HydrophobicContact CB-CE2 4.01Å; N157-F317 HydrophobicContact CB-CZ 3.73Å; T281-F317 HydrophobicContact CG2-CB 3.9Å; T281-F317 HydrophobicContact CG2-CD1 3.8Å; T281-F317 HydrophobicContact CG2-CD2 4.31Å; T281-F317 HydrophobicContact CG2-CE1 4.5Å; T281-F317 HydrophobicContact CG2-CG 3.71Å; C283-F317 WeakPolarHBondContact CA-O 3.36Å; Q284-F317 HydrophobicContact CG-CB 4.31Å; Q284-F317 PolarHBondContact N-O 3Å; Q284-F317 VanDerWaalsContact OE1-N 3.14Å; K299-F317 HydrophobicContact CB-CD1 4.07Å; K299-F317 HydrophobicContact CB-CE1 3.92Å; K299-F317 HydrophobicContact CB-CZ 4.42Å; K299-F317 HydrophobicContact CD-CE1 4.26Å; P315-F317 HydrophobicContact CG-CE2 3.94Å; P315-F317 HydrophobicContact CG-CZ 4.14Å; F317-Y337 HydrophobicContact CD1-CD2 4.29Å; F317-Y337 HydrophobicContact CD1-CE2 4.3Å; F317-Y337 AromaticContact CE1-CD2 3.78Å; F317-Y337 HydrophobicContact CE1-CD2 3.78Å; F317-Y337 AromaticContact CE1-CE2 3.74Å; F317-Y337 HydrophobicContact CE1-CE2 3.74Å |
| 318 | L | 86.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 135.9 | -169.9 | -61.8 | 177.5 | 0 | 0 | 0 | 112.5 | Q285 S296 V297 K298 C300 L316 C322 V326 L334 | Q285-L318 HydrophobicContact CB-CD2 4.12Å; S296-L318 VanDerWaalsContact CA-O 3.29Å; S296-L318 WeakPolarHBondContact CA-O 3.49Å; V297-L318 PolarHBondContact N-O 3.01Å; K298-L318 PolarHBondContact N-O 3.47Å; K298-L318 PolarHBondContact O-N 3.28Å; K298-L318 VanDerWaalsContact O-O 3.07Å; C300-L318 HydrophobicContact CB-CD1 3.9Å; L316-L318 HydrophobicContact CD2-CD2 3.88Å; L316-L318 HydrophobicContact CG-CD2 4Å; L316-L318 HydrophobicContact CG-CG 4.44Å; L318-C322 HydrophobicContact CB-CB 4.44Å; L318-C322 HydrophobicContact CD2-CB 3.92Å; L318-V326 HydrophobicContact CD1-CG2 3.6Å; L318-L334 HydrophobicContact CD1-CD2 4.06Å |
| 319 | C | 89.1 | Confident | 83.4 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 3% | 0.027 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 177.9 | 170.4 | 73.2 | 0 | 0 | 0 | 0 | 112.7 | C283 N294 L295 Q321 C322 S323 | C283-C319 HydrophobicContact CB-CB 3.96Å; N294-C319 HydrophobicContact CB-CB 3.7Å; L295-C319 WeakPolarHBondContact O-CA 3.42Å; L295-C319 VanDerWaalsContact O-CB 3.3Å; L295-C319 WeakPolarHBondContact O-CB 3.47Å; C319-Q321 PolarHBondContact O-N 2.85Å; C319-C322 PolarHBondContact SG-N 3.47Å; C319-S323 VanDerWaalsContact O-CB 3.27Å; C319-S323 WeakPolarHBondContact O-CB 3.29Å; C319-S323 PolarHBondContact O-N 3.44Å; C319-S323 PolarHBondContact O-OG 3.47Å |
| 320 | S | 82 | Confident | 83 | Confident | 56 Ų | 56 | 42 Ų | 42 | 39% | 0.392 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -26.2 | 179.5 | -177.5 | 0 | 0 | 0 | 0 | 113.9 | K324 | S320-K324 VanDerWaalsContact O-CD 3.31Å; S320-K324 WeakPolarHBondContact O-CD 3.44Å; S320-K324 WeakPolarHBondContact O-CE 3.47Å; S320-K324 VanDerWaalsContact O-CG 3.32Å; S320-K324 WeakPolarHBondContact O-CG 3.23Å |
| 321 | Q | 83.4 | Confident | 82.7 | Confident | 96 Ų | 96 | 45.6 Ų | 45.6 | 45% | 0.449 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -59.5 | 176.1 | -79.7 | 164.6 | -49.7 | 0 | 0 | 111.3 | C319 S323 K324 E325 | C319-Q321 PolarHBondContact O-N 2.85Å; Q321-S323 PolarHBondContact O-N 3.39Å; Q321-S323 VanDerWaalsContact O-N 3.12Å; Q321-K324 WeakPolarHBondContact O-CA 2.98Å; Q321-K324 WeakPolarHBondContact O-CB 3.48Å; Q321-K324 PolarHBondContact O-N 3.49Å; Q321-E325 PolarHBondContact O-N 2.85Å |
| 322 | C | 88.8 | Confident | 82.2 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.02 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.4 | -31.9 | -178.3 | -55.9 | 0 | 0 | 0 | 0 | 112.8 | Q285 L318 C319 K324 E325 V326 | Q285-C322 HydrophobicContact CB-CB 4.24Å; Q285-C322 HydrophobicContact CG-CB 4.4Å; L318-C322 HydrophobicContact CB-CB 4.44Å; L318-C322 HydrophobicContact CD2-CB 3.92Å; C319-C322 PolarHBondContact SG-N 3.47Å; C322-K324 VanDerWaalsContact C-N 3.26Å; C322-K324 PolarHBondContact O-N 3.23Å; C322-E325 PolarHBondContact O-N 3.34Å; C322-V326 PolarHBondContact O-N 2.88Å |
| 323 | S | 83.9 | Confident | 81.8 | Confident | 11 Ų | 11 | 45.3 Ų | 45.3 | 8% | 0.077 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72 | -11.4 | 174.6 | 62.3 | 0 | 0 | 0 | 0 | 115.3 | C319 Q321 | C319-S323 VanDerWaalsContact O-CB 3.27Å; C319-S323 WeakPolarHBondContact O-CB 3.29Å; C319-S323 PolarHBondContact O-N 3.44Å; C319-S323 PolarHBondContact O-OG 3.47Å; Q321-S323 PolarHBondContact O-N 3.39Å; Q321-S323 VanDerWaalsContact O-N 3.12Å |
| 324 | K | 83.6 | Confident | 81.6 | Confident | 144 Ų | 144 | 46.9 Ų | 46.9 | 63% | 0.626 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -89.2 | -28.3 | 169.6 | -66.1 | 171 | -169.8 | 172.1 | 0 | 112.3 | S320 Q321 C322 V326 | S320-K324 VanDerWaalsContact O-CD 3.31Å; S320-K324 WeakPolarHBondContact O-CD 3.44Å; S320-K324 WeakPolarHBondContact O-CE 3.47Å; S320-K324 VanDerWaalsContact O-CG 3.32Å; S320-K324 WeakPolarHBondContact O-CG 3.23Å; Q321-K324 WeakPolarHBondContact O-CA 2.98Å; Q321-K324 WeakPolarHBondContact O-CB 3.48Å; Q321-K324 PolarHBondContact O-N 3.49Å; C322-K324 VanDerWaalsContact C-N 3.26Å; C322-K324 PolarHBondContact O-N 3.23Å; K324-V326 VanDerWaalsContact C-N 3.29Å |
| 325 | E | 82.9 | Confident | 81.3 | Confident | 123 Ų | 123 | 48.3 Ų | 48.3 | 58% | 0.575 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -75.7 | -14.9 | 177.9 | -65.3 | 172 | -179.3 | 0 | 0 | 113 | Q321 C322 | Q321-E325 PolarHBondContact O-N 2.85Å; C322-E325 PolarHBondContact O-N 3.34Å |
| 326 | V | 84.1 | Confident | 80.8 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -58.2 | 126.3 | 172.9 | 178 | 0 | 0 | 0 | 0 | 110.4 | Y305 L318 C322 K324 V330 K331 L334 | Y305-V326 HydrophobicContact CE1-CG2 4.05Å; L318-V326 HydrophobicContact CD1-CG2 3.6Å; C322-V326 PolarHBondContact O-N 2.88Å; K324-V326 VanDerWaalsContact C-N 3.29Å; V326-V330 HydrophobicContact CG1-CB 3.69Å; V326-V330 HydrophobicContact CG1-CG1 3.64Å; V326-K331 HydrophobicContact CG1-CG 4.35Å; V326-K331 WeakPolarHBondContact O-CE 3.37Å; V326-L334 HydrophobicContact CB-CD1 4.33Å; V326-L334 HydrophobicContact CG1-CD1 4.35Å; V326-L334 HydrophobicContact CG2-CD1 4.48Å; V326-L334 HydrophobicContact CG2-CD2 4.39Å |
| 327 | P | 81.3 | Confident | 80.3 | Confident | 57 Ų | 57 | 51.1 Ų | 51.1 | 37% | 0.37 | 28% | 0.282 | S | S | . | . | trans | -56.1 | 146.8 | 178.3 | -27 | 35 | 0 | 0 | 0 | 113.5 | Y305 T329 V330 K331 | Y305-P327 HydrophobicContact CE2-CG 4.47Å; P327-T329 PolarHBondContact O-N 3.27Å; P327-T329 VanDerWaalsContact O-N 3.14Å; P327-V330 HydrophobicContact CB-CG2 4.48Å; P327-V330 WeakPolarHBondContact O-CA 3.38Å; P327-V330 WeakPolarHBondContact O-CB 3.42Å; P327-V330 PolarHBondContact O-N 2.64Å; P327-K331 PolarHBondContact O-N 3.41Å; P327-K331 VanDerWaalsContact O-N 3.13Å | ||
| 328 | D | 78.2 | Confident | 79.6 | Confident | 129 Ų | 129 | 52.7 Ų | 52.7 | 69% | 0.69 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -32.7 | -178.2 | -71.5 | -54.6 | 0 | 0 | 0 | 113.7 | V330 K331 | D328-V330 PolarHBondContact O-N 2.82Å; D328-K331 PolarHBondContact O-N 2.86Å; D328-K331 VanDerWaalsContact OD1-CD 3.3Å; D328-K331 WeakPolarHBondContact OD1-CD 3.45Å; D328-K331 VanDerWaalsContact OD1-CE 3.24Å; D328-K331 WeakPolarHBondContact OD1-CE 3.28Å; D328-K331 IonicContact OD1-NZ 3.39Å; D328-K331 PolarHBondContact OD1-NZ 2.97Å |
| 329 | T | 75.8 | Confident | 78.8 | Confident | 106 Ų | 106 | 53.6 Ų | 53.6 | 65% | 0.65 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -19.1 | 174.3 | 51.9 | 0 | 0 | 0 | 0 | 114 | P327 | P327-T329 PolarHBondContact O-N 3.27Å; P327-T329 VanDerWaalsContact O-N 3.14Å |
| 330 | V | 75.9 | Confident | 77.5 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 6% | 0.055 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -18.5 | -176.4 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | C302 Y305 V326 P327 D328 S332 S333 | C302-V330 HydrophobicContact CB-CG1 3.49Å; C302-V330 VanDerWaalsContact CB-CG1 3.49Å; Y305-V330 HydrophobicContact CD2-CG1 4.39Å; Y305-V330 HydrophobicContact CG-CG1 4.15Å; V326-V330 HydrophobicContact CG1-CB 3.69Å; V326-V330 HydrophobicContact CG1-CG1 3.64Å; P327-V330 HydrophobicContact CB-CG2 4.48Å; P327-V330 WeakPolarHBondContact O-CA 3.38Å; P327-V330 WeakPolarHBondContact O-CB 3.42Å; P327-V330 PolarHBondContact O-N 2.64Å; D328-V330 PolarHBondContact O-N 2.82Å; V330-S332 PolarHBondContact O-N 3.12Å; V330-S333 WeakPolarHBondContact O-CB 3.24Å; V330-S333 PolarHBondContact O-N 2.77Å |
| 331 | K | 78 | Confident | 76.6 | Confident | 84 Ų | 84 | 52 Ų | 52 | 37% | 0.365 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -57 | -26 | -176.4 | -76.3 | -176.9 | -171.4 | 164.9 | 0 | 114.8 | V326 P327 D328 S333 L334 | V326-K331 HydrophobicContact CG1-CG 4.35Å; V326-K331 WeakPolarHBondContact O-CE 3.37Å; P327-K331 PolarHBondContact O-N 3.41Å; P327-K331 VanDerWaalsContact O-N 3.13Å; D328-K331 PolarHBondContact O-N 2.86Å; D328-K331 VanDerWaalsContact OD1-CD 3.3Å; D328-K331 WeakPolarHBondContact OD1-CD 3.45Å; D328-K331 VanDerWaalsContact OD1-CE 3.24Å; D328-K331 WeakPolarHBondContact OD1-CE 3.28Å; D328-K331 IonicContact OD1-NZ 3.39Å; D328-K331 PolarHBondContact OD1-NZ 2.97Å; K331-S333 PolarHBondContact O-N 2.6Å; K331-L334 HydrophobicContact CB-CD1 4.33Å; K331-L334 HydrophobicContact CG-CD1 4.13Å; K331-L334 WeakPolarHBondContact O-CB 3.2Å; K331-L334 PolarHBondContact O-N 2.69Å |
| 332 | S | 74.2 | Confident | 75.4 | Confident | 101 Ų | 101 | 51.3 Ų | 51.3 | 71% | 0.706 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -62.8 | -17.6 | 173.1 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | V330 | V330-S332 PolarHBondContact O-N 3.12Š|
| 333 | S | 75 | Confident | 73.9 | Confident | 12 Ų | 12 | 54.2 Ų | 54.2 | 8% | 0.084 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -94.5 | 8.4 | 177.1 | -58.6 | 0 | 0 | 0 | 0 | 113.7 | C300 Y301 V330 K331 | C300-S333 WeakPolarHBondContact CA-O 3.34Å; Y301-S333 PolarHBondContact N-O 3.26Å; V330-S333 WeakPolarHBondContact O-CB 3.24Å; V330-S333 PolarHBondContact O-N 2.77Å; K331-S333 PolarHBondContact O-N 2.6Å |
| 334 | L | 80.1 | Confident | 72.6 | Confident | 35 Ų | 35 | 57.4 Ų | 57.4 | 18% | 0.183 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 139.1 | 175.3 | -70.4 | 167.9 | 0 | 0 | 0 | 111.6 | K298 K299 C300 L318 V326 K331 | K298-L334 HydrophobicContact CB-CD2 4.38Å; K299-L334 WeakPolarHBondContact O-CA 3.43Å; C300-L334 HydrophobicContact CB-CD2 3.78Å; L318-L334 HydrophobicContact CD1-CD2 4.06Å; V326-L334 HydrophobicContact CB-CD1 4.33Å; V326-L334 HydrophobicContact CG1-CD1 4.35Å; V326-L334 HydrophobicContact CG2-CD1 4.48Å; V326-L334 HydrophobicContact CG2-CD2 4.39Å; K331-L334 HydrophobicContact CB-CD1 4.33Å; K331-L334 HydrophobicContact CG-CD1 4.13Å; K331-L334 WeakPolarHBondContact O-CB 3.2Å; K331-L334 PolarHBondContact O-N 2.69Å |
| 335 | S | 72.5 | Confident | 71.6 | Confident | 30 Ų | 30 | 52.6 Ų | 52.6 | 21% | 0.21 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 151.9 | 172.1 | 54.4 | 0 | 0 | 0 | 0 | 111.7 | K298 K299 | K298-S335 CarbonylContact C-O 3.39Å; K298-S335 VanDerWaalsContact CA-O 3.23Å; K298-S335 WeakPolarHBondContact CA-O 3.24Å; K299-S335 WeakPolarHBondContact CE-OG 3.37Å; K299-S335 WeakPolarHBondContact CG-OG 3.44Å; K299-S335 PolarHBondContact N-O 3.39Å; K299-S335 PolarHBondContact O-N 2.73Å |
| 336 | P | 70.9 | Confident | 71 | Confident | 57 Ų | 57 | 49 Ų | 49 | 37% | 0.37 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 158.8 | 179.6 | 28.6 | -34.8 | 0 | 0 | 0 | 112.5 | ||
| 337 | Y | 73.8 | Confident | 70.7 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | trans | -141.7 | 129.5 | 179.4 | 176 | -85.4 | 0 | 0 | 0 | 109.8 | R208 T281 S296 V297 F317 | R208-Y337 HydrophobicContact CG-CE2 4.17Å; R208-Y337 PolarHBondContact NE-OH 2.73Å; R208-Y337 PolarHBondContact NH2-OH 2.72Å; R208-Y337 VanDerWaalsContact NH2-OH 3.16Å; T281-Y337 WeakPolarHBondContact CB-OH 3.29Å; T281-Y337 PolarHBondContact OG1-OH 2.99Å; S296-Y337 WeakPolarHBondContact O-CD1 3.48Å; V297-Y337 PolarHBondContact O-N 2.71Å; F317-Y337 HydrophobicContact CD1-CD2 4.29Å; F317-Y337 HydrophobicContact CD1-CE2 4.3Å; F317-Y337 AromaticContact CE1-CD2 3.78Å; F317-Y337 HydrophobicContact CE1-CD2 3.78Å; F317-Y337 AromaticContact CE1-CE2 3.74Å; F317-Y337 HydrophobicContact CE1-CE2 3.74Å | ||
| 338 | F | 70.9 | Confident | 70.9 | Confident | 40 Ų | 40 | 51.3 Ų | 51.3 | 18% | 0.175 | 30% | 0.297 | C | S | . | . | trans | -106.3 | 154.9 | -173.3 | -55.4 | -50.4 | 0 | 0 | 0 | 112.8 | A211 E367 V370 | A211-F338 HydrophobicContact CB-CD2 4.49Å; A211-F338 HydrophobicContact CB-CE2 4.35Å; F338-E367 HydrophobicContact CE1-CB 4.44Å; F338-V370 HydrophobicContact CD1-CB 4.39Å; F338-V370 HydrophobicContact CD1-CG1 3.5Å; F338-V370 VanDerWaalsContact CD1-CG1 3.5Å; F338-V370 HydrophobicContact CE1-CB 4.3Å; F338-V370 HydrophobicContact CE1-CG1 3.85Å; F338-V370 HydrophobicContact CG-CG1 4.3Å | ||
| 339 | Q | 70.1 | Confident | 71 | Confident | 18 Ų | 18 | 47.2 Ų | 47.2 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -99.2 | 152.1 | 178.9 | -57.1 | -62.3 | -22.5 | 0 | 0 | 111.3 | S296 Y375 I376 | S296-Q339 PolarHBondContact O-NE2 2.72Å; Q339-Y375 PolarHBondContact N-O 3.44Å; Q339-I376 HydrophobicContact CB-CG1 4.1Å |
| 340 | P | 62.9 | Low | 71.2 | Confident | 26 Ų | 26 | 43.2 Ų | 43.2 | 17% | 0.169 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -68.6 | 158.7 | -175.9 | 26.4 | -34.1 | 0 | 0 | 0 | 114.2 | W278 | W278-P340 HydrophobicContact CB-CG 4.39Å; W278-P340 HydrophobicContact CD2-CB 3.97Å; W278-P340 HydrophobicContact CD2-CG 4.26Å; W278-P340 HydrophobicContact CE3-CB 3.53Å; W278-P340 HydrophobicContact CE3-CG 3.81Å; W278-P340 HydrophobicContact CH2-CB 4.39Å; W278-P340 HydrophobicContact CZ3-CB 3.77Å; W278-P340 HydrophobicContact CZ3-CG 4.45Å |
| 341 | L | 62.5 | Low | 71.3 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 120.6 | 179.2 | -176.7 | 67 | 0 | 0 | 0 | 110.5 | Y242 W278 I376 | Y242-L341 HydrophobicContact CD1-CD2 3.89Å; Y242-L341 HydrophobicContact CE1-CB 3.93Å; Y242-L341 HydrophobicContact CE1-CD2 3.59Å; Y242-L341 HydrophobicContact CE1-CG 4.4Å; W278-L341 WeakPolarHBondContact CZ3-O 2.95Å; L341-I376 HydrophobicContact CD1-CG2 3.86Å |
| 342 | S | 59.2 | Low | 71.2 | Confident | 82 Ų | 82 | 55.5 Ų | 55.5 | 57% | 0.573 | 30% | 0.304 | S | S | * | . | trans | -96.2 | -14.2 | -166.7 | 58.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 343 | T | 55.4 | Low | 71.7 | Confident | 64 Ų | 64 | 51.3 Ų | 51.3 | 39% | 0.393 | 27% | 0.274 | S | S | . | . | trans | -142.9 | 136.1 | -166.5 | 49 | 0 | 0 | 0 | 0 | 114.9 | V345 | T343-V345 PolarHBondContact O-N 3.4Š| ||
| 344 | L | 57.6 | Low | 72 | Confident | 77 Ų | 77 | 55.6 Ų | 55.6 | 40% | 0.403 | 30% | 0.3 | S | S | . | . | trans | -73.3 | 35.7 | -178.6 | -80.3 | 160.8 | 0 | 0 | 0 | 114.4 | H241 R253 N346 | H241-L344 HydrophobicContact CB-CD2 4.25Å; H241-L344 VanDerWaalsContact ND1-CD2 3.32Å; H241-L344 WeakPolarHBondContact ND1-CD2 3.37Å; R253-L344 PolarHBondContact NH1-O 3.34Å; L344-N346 PolarHBondContact O-N 3.39Å | ||
| 345 | V | 61.8 | Low | 72.1 | Confident | 44 Ų | 44 | 54.6 Ų | 54.6 | 27% | 0.267 | 30% | 0.296 | S | S | . | . | trans | -71.1 | 115.6 | -173.8 | -172.8 | 0 | 0 | 0 | 0 | 110.3 | T343 I347 Q349 R379 | T343-V345 PolarHBondContact O-N 3.4Å; V345-I347 VanDerWaalsContact C-N 3.3Å; V345-I347 HydrophobicContact CG1-CB 4.44Å; V345-I347 HydrophobicContact CG1-CD1 4.34Å; V345-I347 HydrophobicContact CG1-CG1 3.36Å; V345-I347 WeakPolarHBondContact CG1-O 3.44Å; V345-Q349 HydrophobicContact CG1-CG 4.41Å; V345-R379 WeakPolarHBondContact O-CD 3.38Å; V345-R379 PolarHBondContact O-NE 3.35Å; V345-R379 PolarHBondContact O-NH1 2.86Å | ||
| 346 | N | 70.9 | Confident | 72.5 | Confident | 47 Ų | 47 | 59.4 Ų | 59.4 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | trans | -90.3 | 9.3 | 176.3 | -80.6 | 2.6 | 0 | 0 | 0 | 113.9 | R253 L344 L359 A360 | R253-N346 VanDerWaalsContact CZ-ND2 3.27Å; R253-N346 VanDerWaalsContact CZ-OD1 3.3Å; R253-N346 VanDerWaalsContact NH1-CG 3.3Å; R253-N346 PolarHBondContact NH1-ND2 2.97Å; R253-N346 PolarHBondContact NH1-OD1 3.31Å; R253-N346 PolarHBondContact NH2-ND2 2.78Å; R253-N346 PolarHBondContact NH2-OD1 2.95Å; L344-N346 PolarHBondContact O-N 3.39Å; N346-L359 WeakPolarHBondContact O-CA 3.41Å; N346-A360 PolarHBondContact O-N 3.12Å | ||
| 347 | I | 78.5 | Confident | 72.9 | Confident | 91 Ų | 91 | 61.5 Ų | 61.5 | 47% | 0.467 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -112.6 | 158.2 | 174.8 | 57.3 | 171.9 | 0 | 0 | 0 | 111.3 | V345 Q349 R358 | V345-I347 VanDerWaalsContact C-N 3.3Å; V345-I347 HydrophobicContact CG1-CB 4.44Å; V345-I347 HydrophobicContact CG1-CD1 4.34Å; V345-I347 HydrophobicContact CG1-CG1 3.36Å; V345-I347 WeakPolarHBondContact CG1-O 3.44Å; I347-Q349 PolarHBondContact O-N 3.45Å; I347-R358 CarbonylContact C-O 2.7Å; I347-R358 VanDerWaalsContact CA-O 3.23Å; I347-R358 WeakPolarHBondContact CA-O 3.26Å; I347-R358 HydrophobicContact CB-CB 4.32Å; I347-R358 HydrophobicContact CG2-CB 4.2Å |
| 348 | C | 84.9 | Confident | 73.3 | Confident | 16 Ų | 16 | 67.5 Ų | 67.5 | 11% | 0.108 | 36% | 0.36 | C | S | . | . | trans | -54 | 125.8 | 175.9 | -167 | 0 | 0 | 0 | 0 | 112.2 | C353 R358 C381 | C348-C353 HydrophobicContact CB-CB 4.19Å; C348-R358 PolarHBondContact N-O 2.91Å; C348-C381 HydrophobicContact CB-CB 3.91Å; C348-C381 PolarHBondContact SG-N 3.18Å; C348-C381 VanDerWaalsContact SG-N 3.44Å | ||
| 349 | Q | 80.8 | Confident | 73.8 | Confident | 44 Ų | 44 | 67.9 Ų | 67.9 | 21% | 0.206 | 36% | 0.364 | C | S | . | . | trans | -87.8 | -3.6 | 175.9 | -72 | 175.4 | -37.9 | 0 | 0 | 113 | V345 I347 K351 R379 | V345-Q349 HydrophobicContact CG1-CG 4.41Å; I347-Q349 PolarHBondContact O-N 3.45Å; Q349-K351 PolarHBondContact O-N 3.13Å; Q349-K351 VanDerWaalsContact O-N 3.12Å; Q349-R379 HydrophobicContact CG-CB 4.26Å; Q349-R379 PolarHBondContact N-O 3.05Å | ||
| 350 | N | 79.5 | Confident | 74.1 | Confident | 21 Ų | 21 | 67.4 Ų | 67.4 | 11% | 0.112 | 36% | 0.363 | C | S | . | . | trans | -64.2 | 113.5 | 169.1 | -178.5 | 17.2 | 0 | 0 | 0 | 109.5 | E352 C353 L380 R388 | N350-E352 PolarHBondContact O-N 2.96Å; N350-E352 VanDerWaalsContact O-N 3.08Å; N350-E352 PolarHBondContact OD1-N 3.24Å; N350-C353 HydrophobicContact CB-CB 4.36Å; N350-C353 WeakPolarHBondContact O-CB 3.41Å; N350-C353 PolarHBondContact O-N 3.47Å; N350-L380 HydrophobicContact CB-CD2 4.24Å; N350-R388 PolarHBondContact OD1-NH2 3.43Å | ||
| 351 | K | 78 | Confident | 74.9 | Confident | 202 Ų | 202 | 67.9 Ų | 67.9 | 88% | 0.878 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -21.7 | 178.4 | -66.4 | 179.8 | 179.7 | 174.4 | 0 | 112.9 | Q349 | Q349-K351 PolarHBondContact O-N 3.13Å; Q349-K351 VanDerWaalsContact O-N 3.12Å |
| 352 | E | 75.9 | Confident | 75.6 | Confident | 150 Ų | 150 | 67.9 Ų | 67.9 | 70% | 0.701 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 19.6 | 179.9 | -59.7 | 171.7 | 165.4 | 0 | 0 | 113 | N350 T354 | N350-E352 PolarHBondContact O-N 2.96Å; N350-E352 VanDerWaalsContact O-N 3.08Å; N350-E352 PolarHBondContact OD1-N 3.24Å; E352-T354 PolarHBondContact O-N 2.91Å |
| 353 | C | 85.2 | Confident | 76.6 | Confident | 12 Ų | 12 | 64.1 Ų | 64.1 | 8% | 0.081 | 34% | 0.339 | C | S | . | . | trans | -70.3 | 122.9 | -175.3 | -176.4 | 0 | 0 | 0 | 0 | 113.9 | C348 N350 S355 R358 C384 | C348-C353 HydrophobicContact CB-CB 4.19Å; N350-C353 HydrophobicContact CB-CB 4.36Å; N350-C353 WeakPolarHBondContact O-CB 3.41Å; N350-C353 PolarHBondContact O-N 3.47Å; C353-S355 PolarHBondContact SG-OG 2.88Å; C353-R358 PolarHBondContact O-NH2 3.33Å; C353-C384 VanDerWaalsContact SG-SG 3.61Å | ||
| 354 | T | 80.9 | Confident | 77.8 | Confident | 102 Ų | 102 | 61.1 Ų | 61.1 | 63% | 0.626 | 32% | 0.32 | S | S | * | . | trans | -105.7 | 10.3 | -179.5 | 58.9 | 0 | 0 | 0 | 0 | 115.3 | E352 | E352-T354 PolarHBondContact O-N 2.91Š| ||
| 355 | S | 82.4 | Confident | 78.6 | Confident | 14 Ų | 14 | 58.1 Ų | 58.1 | 10% | 0.098 | 30% | 0.304 | C | S | . | . | trans | -78.3 | 144.9 | -177.2 | 62.2 | 0 | 0 | 0 | 0 | 113.5 | C353 N357 R358 C381 | C353-S355 PolarHBondContact SG-OG 2.88Å; S355-N357 WeakPolarHBondContact CB-O 3.48Å; S355-N357 PolarHBondContact OG-O 3.19Å; S355-R358 WeakPolarHBondContact O-CG 3.22Å; S355-C381 PolarHBondContact OG-SG 3.38Å | ||
| 356 | S | 80.1 | Confident | 79.2 | Confident | 131 Ų | 131 | 56.8 Ų | 56.8 | 92% | 0.916 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -68.3 | -52.5 | 166.9 | 50.7 | 0 | 0 | 0 | 0 | 111.2 | R358 | S356-R358 PolarHBondContact O-N 3.49Š|
| 357 | N | 80.9 | Confident | 79.2 | Confident | 102 Ų | 102 | 58.8 Ų | 58.8 | 55% | 0.545 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -82.3 | 103.1 | 168 | -172.7 | -2.3 | 0 | 0 | 0 | 109.7 | S355 L359 | S355-N357 WeakPolarHBondContact CB-O 3.48Å; S355-N357 PolarHBondContact OG-O 3.19Å; N357-L359 VanDerWaalsContact OD1-CB 3.29Å; N357-L359 WeakPolarHBondContact OD1-CB 3.32Å; N357-L359 WeakPolarHBondContact OD1-CG 3.34Å; N357-L359 PolarHBondContact OD1-N 2.92Å; N357-L359 VanDerWaalsContact OD1-N 3.09Å |
| 358 | R | 81.9 | Confident | 79 | Confident | 133 Ų | 133 | 60.3 Ų | 60.3 | 50% | 0.502 | 31% | 0.309 | S | S | . | . | trans | -87.2 | -1.1 | -179.8 | -66.8 | -172.2 | 175.6 | -150.7 | -3.4 | 114.3 | I347 C348 C353 S355 S356 A360 | I347-R358 CarbonylContact C-O 2.7Å; I347-R358 VanDerWaalsContact CA-O 3.23Å; I347-R358 WeakPolarHBondContact CA-O 3.26Å; I347-R358 HydrophobicContact CB-CB 4.32Å; I347-R358 HydrophobicContact CG2-CB 4.2Å; C348-R358 PolarHBondContact N-O 2.91Å; C353-R358 PolarHBondContact O-NH2 3.33Å; S355-R358 WeakPolarHBondContact O-CG 3.22Å; S356-R358 PolarHBondContact O-N 3.49Å; R358-A360 PolarHBondContact O-N 3.03Å | ||
| 359 | L | 80.8 | Confident | 78.6 | Confident | 49 Ų | 49 | 59.7 Ų | 59.7 | 26% | 0.257 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -53.4 | 127.6 | 178.3 | -73.1 | 169.1 | 0 | 0 | 0 | 110.1 | N346 N357 C381 | N346-L359 WeakPolarHBondContact O-CA 3.41Å; N357-L359 VanDerWaalsContact OD1-CB 3.29Å; N357-L359 WeakPolarHBondContact OD1-CB 3.32Å; N357-L359 WeakPolarHBondContact OD1-CG 3.34Å; N357-L359 PolarHBondContact OD1-N 2.92Å; N357-L359 VanDerWaalsContact OD1-N 3.09Å; L359-C381 VanDerWaalsContact O-CA 3.22Å; L359-C381 WeakPolarHBondContact O-CA 3.25Å; L359-C381 WeakPolarHBondContact O-CB 3.22Å |
| 360 | A | 77.1 | Confident | 78.4 | Confident | 7 Ų | 7 | 57.7 Ų | 57.7 | 6% | 0.058 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 137.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | P244 N346 R358 R379 L380 | P244-A360 WeakPolarHBondContact CB-O 3.34Å; N346-A360 PolarHBondContact O-N 3.12Å; R358-A360 PolarHBondContact O-N 3.03Å; A360-R379 HydrophobicContact CB-CB 4.07Å; A360-L380 CarbonylContact C-O 3.58Å; A360-L380 WeakPolarHBondContact CA-O 3.25Å |
| 361 | V | 78.7 | Confident | 78.1 | Confident | 37 Ų | 37 | 64.3 Ų | 64.3 | 22% | 0.224 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | -10.6 | 173.7 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | P244 L380 E382 H385 | P244-V361 WeakPolarHBondContact CG-O 3.35Å; V361-L380 PolarHBondContact N-O 3.38Å; V361-E382 HydrophobicContact CG1-CB 4.29Å; V361-E382 VanDerWaalsContact CG2-CA 3.48Å; V361-E382 HydrophobicContact CG2-CB 4.06Å; V361-E382 VanDerWaalsContact CG2-N 3.34Å; V361-E382 WeakPolarHBondContact CG2-OE2 3.45Å; V361-H385 HydrophobicContact CG2-CB 4.48Å |
| 362 | A | 78.3 | Confident | 77.7 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 161.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R379 L380 H385 V396 N397 | A362-R379 CarbonylContact O-C 3.38Å; A362-R379 WeakPolarHBondContact O-CA 3.17Å; A362-L380 PolarHBondContact N-O 2.89Å; A362-L380 VanDerWaalsContact N-O 3.13Å; A362-L380 PolarHBondContact O-N 2.87Å; A362-H385 HydrophobicContact CB-CB 4.26Å; A362-H385 WeakPolarHBondContact CB-ND1 3.22Å; A362-V396 CarbonylContact C-O 3.56Å; A362-V396 WeakPolarHBondContact CA-O 3.48Å; A362-V396 WeakPolarHBondContact CB-O 3.42Å; A362-N397 WeakPolarHBondContact CB-OD1 3.47Å |
| 363 | T | 78.4 | Confident | 77.6 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 3% | 0.025 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 136 | 176.4 | -54 | 0 | 0 | 0 | 0 | 110.7 | F365 P377 S378 R379 F395 V396 | T363-F365 HydrophobicContact CG2-CE2 3.96Å; T363-F365 HydrophobicContact CG2-CZ 4.2Å; T363-P377 HydrophobicContact CG2-CB 4.38Å; T363-S378 CarbonylContact C-O 3.46Å; T363-S378 WeakPolarHBondContact CA-O 3.38Å; T363-R379 HydrophobicContact CG2-CG 4.25Å; T363-F395 CarbonylContact O-C 3.17Å; T363-F395 WeakPolarHBondContact O-CA 3.46Å; T363-F395 VanDerWaalsContact O-CB 3.26Å; T363-F395 WeakPolarHBondContact O-CB 3.45Å; T363-V396 PolarHBondContact N-O 3.44Å; T363-V396 VanDerWaalsContact N-O 3.09Å; T363-V396 PolarHBondContact O-N 2.87Å |
| 364 | C | 80.6 | Confident | 76.9 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 144.1 | -174.6 | -174.3 | 0 | 0 | 0 | 0 | 113.9 | C369 P377 S378 L380 H389 T394 F395 | C364-C369 HydrophobicContact CB-CB 4.42Å; C364-C369 VanDerWaalsContact SG-SG 3.69Å; C364-P377 WeakPolarHBondContact O-CA 3.37Å; C364-S378 PolarHBondContact N-O 3.14Å; C364-S378 PolarHBondContact O-N 3.34Å; C364-S378 VanDerWaalsContact O-N 3.12Å; C364-L380 HydrophobicContact CB-CD1 4.49Å; C364-H389 PolarHBondContact SG-NE2 3.3Å; C364-T394 WeakPolarHBondContact CA-O 3.4Å; C364-T394 PolarHBondContact SG-O 3.24Å; C364-F395 HydrophobicContact CB-CB 4.42Å |
| 365 | F | 75.2 | Confident | 76.3 | Confident | 15 Ų | 15 | 60 Ų | 60 | 7% | 0.066 | 30% | 0.299 | C | S | . | . | trans | -125.1 | 4.7 | -172.1 | -65.5 | -96.8 | 0 | 0 | 0 | 115.5 | T363 P377 T394 V396 | T363-F365 HydrophobicContact CG2-CE2 3.96Å; T363-F365 HydrophobicContact CG2-CZ 4.2Å; F365-P377 HydrophobicContact CD1-CB 3.82Å; F365-P377 HydrophobicContact CD1-CG 3.47Å; F365-P377 VanDerWaalsContact CD1-CG 3.47Å; F365-P377 HydrophobicContact CE1-CB 3.76Å; F365-P377 HydrophobicContact CE1-CG 3.47Å; F365-P377 VanDerWaalsContact CE1-CG 3.47Å; F365-P377 HydrophobicContact CG-CB 4.38Å; F365-P377 HydrophobicContact CG-CG 4.42Å; F365-P377 HydrophobicContact CZ-CB 4.27Å; F365-P377 HydrophobicContact CZ-CG 4.4Å; F365-T394 PolarHBondContact N-O 2.95Å; F365-V396 HydrophobicContact CE2-CG2 4.32Å | ||
| 366 | S | 74.3 | Confident | 75.9 | Confident | 15 Ų | 15 | 61.1 Ų | 61.1 | 11% | 0.105 | 30% | 0.304 | C | S | . | . | trans | -69.2 | 148 | -179.9 | 63.4 | 0 | 0 | 0 | 0 | 112.6 | E368 C369 V370 H393 | S366-E368 PolarHBondContact O-N 3.4Å; S366-E368 VanDerWaalsContact O-N 3.12Å; S366-C369 PolarHBondContact O-N 2.86Å; S366-C369 VanDerWaalsContact O-N 3.11Å; S366-V370 VanDerWaalsContact O-CB 3.23Å; S366-V370 WeakPolarHBondContact O-CB 3.48Å; S366-V370 WeakPolarHBondContact O-CG2 3.11Å; S366-V370 PolarHBondContact O-N 3.04Å; S366-H393 PolarHBondContact OG-CE1 2.98Å; S366-H393 PolarHBondContact OG-ND1 3.11Å | ||
| 367 | E | 71.3 | Confident | 75.7 | Confident | 90 Ų | 90 | 55 Ų | 55 | 42% | 0.421 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -54.5 | -35.6 | -179.5 | -176.6 | 173.7 | 172.9 | 0 | 0 | 112.2 | F338 V370 R371 | F338-E367 HydrophobicContact CE1-CB 4.44Å; E367-V370 PolarHBondContact O-N 3.49Å; E367-R371 WeakPolarHBondContact O-CB 3.46Å; E367-R371 PolarHBondContact O-N 3.41Å |
| 368 | E | 74.4 | Confident | 75.5 | Confident | 122 Ų | 122 | 50.6 Ų | 50.6 | 57% | 0.57 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -63 | -47.6 | 178 | -62.7 | 175 | 172.1 | 0 | 0 | 112.9 | S366 H393 | S366-E368 PolarHBondContact O-N 3.4Å; S366-E368 VanDerWaalsContact O-N 3.12Å; E368-H393 IonicContact OE1-NE2 2.61Å; E368-H393 IonicContact OE2-CD2 2.71Å; E368-H393 IonicContact OE2-CE1 3.89Å; E368-H393 IonicContact OE2-NE2 2.71Å; E368-H393 PolarHBondContact OE2-NE2 3.02Å |
| 369 | C | 76.8 | Confident | 75.5 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.1 | -40.1 | 175.4 | -83.3 | 0 | 0 | 0 | 0 | 111.8 | C364 S366 H393 | C364-C369 HydrophobicContact CB-CB 4.42Å; C364-C369 VanDerWaalsContact SG-SG 3.69Å; S366-C369 PolarHBondContact O-N 2.86Å; S366-C369 VanDerWaalsContact O-N 3.11Å; C369-H393 PolarHBondContact SG-CE1 3.21Å |
| 370 | V | 75.6 | Confident | 75.6 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -74.5 | -36.9 | -172.1 | 170.2 | 0 | 0 | 0 | 0 | 112 | F338 S366 E367 M372 N373 Y375 | F338-V370 HydrophobicContact CD1-CB 4.39Å; F338-V370 HydrophobicContact CD1-CG1 3.5Å; F338-V370 VanDerWaalsContact CD1-CG1 3.5Å; F338-V370 HydrophobicContact CE1-CB 4.3Å; F338-V370 HydrophobicContact CE1-CG1 3.85Å; F338-V370 HydrophobicContact CG-CG1 4.3Å; S366-V370 VanDerWaalsContact O-CB 3.23Å; S366-V370 WeakPolarHBondContact O-CB 3.48Å; S366-V370 WeakPolarHBondContact O-CG2 3.11Å; S366-V370 PolarHBondContact O-N 3.04Å; E367-V370 PolarHBondContact O-N 3.49Å; V370-M372 VanDerWaalsContact C-N 3.26Å; V370-M372 PolarHBondContact O-N 2.85Å; V370-N373 CarbonylContact O-C 3.59Å; V370-N373 PolarHBondContact O-N 3.28Å; V370-Y375 VanDerWaalsContact CG1-CA 3.47Å; V370-Y375 WeakPolarHBondContact CG1-O 3.28Å; V370-Y375 VanDerWaalsContact O-CA 3.29Å; V370-Y375 WeakPolarHBondContact O-CA 3.43Å; V370-Y375 PolarHBondContact O-N 2.62Å |
| 371 | R | 73.5 | Confident | 76.1 | Confident | 161 Ų | 161 | 41.8 Ų | 41.8 | 61% | 0.608 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -60.6 | -32.4 | 175.6 | -175.3 | -179.9 | 68.4 | 140.1 | 1.7 | 113.2 | E367 N373 | E367-R371 WeakPolarHBondContact O-CB 3.46Å; E367-R371 PolarHBondContact O-N 3.41Å; R371-N373 PolarHBondContact O-N 3Å |
| 372 | M | 69 | Low | 76.4 | Confident | 128 Ų | 128 | 44.5 Ų | 44.5 | 63% | 0.631 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -15.3 | 177.5 | -66.4 | -95.3 | -87.9 | 0 | 0 | 113 | V370 | V370-M372 VanDerWaalsContact C-N 3.26Å; V370-M372 PolarHBondContact O-N 2.85Å |
| 373 | N | 73.6 | Confident | 76.7 | Confident | 42 Ų | 42 | 51.1 Ų | 51.1 | 23% | 0.225 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | 43.5 | -173.4 | -168.5 | 44.4 | 0 | 0 | 0 | 111.4 | V370 R371 Y375 I376 P377 | V370-N373 CarbonylContact O-C 3.59Å; V370-N373 PolarHBondContact O-N 3.28Å; R371-N373 PolarHBondContact O-N 3Å; N373-Y375 PolarHBondContact O-N 2.87Å; N373-Y375 VanDerWaalsContact O-N 3.13Å; N373-I376 WeakPolarHBondContact CB-O 3.21Å; N373-I376 PolarHBondContact ND2-O 3.17Å; N373-I376 WeakPolarHBondContact O-CB 3.44Å; N373-I376 PolarHBondContact O-N 3.34Å; N373-P377 PolarHBondContact ND2-O 2.95Å; N373-P377 VanDerWaalsContact ND2-O 3.16Å |
| 374 | N | 70.7 | Confident | 77.1 | Confident | 138 Ų | 138 | 51 Ų | 51 | 74% | 0.738 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 35 | 179.3 | -63.3 | -17.3 | 0 | 0 | 0 | 114.5 | ||
| 375 | Y | 69.4 | Low | 77.3 | Confident | 66 Ų | 66 | 52 Ų | 52 | 26% | 0.259 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 25.6 | -175.9 | -58.4 | -91.2 | 0 | 0 | 0 | 115.5 | V297 Q339 V370 N373 | V297-Y375 HydrophobicContact CG1-CD2 4.01Å; V297-Y375 HydrophobicContact CG1-CE2 3.97Å; V297-Y375 HydrophobicContact CG1-CG 4.38Å; Q339-Y375 PolarHBondContact N-O 3.44Å; V370-Y375 VanDerWaalsContact CG1-CA 3.47Å; V370-Y375 WeakPolarHBondContact CG1-O 3.28Å; V370-Y375 VanDerWaalsContact O-CA 3.29Å; V370-Y375 WeakPolarHBondContact O-CA 3.43Å; V370-Y375 PolarHBondContact O-N 2.62Å; N373-Y375 PolarHBondContact O-N 2.87Å; N373-Y375 VanDerWaalsContact O-N 3.13Å |
| 376 | I | 73.9 | Confident | 77.6 | Confident | 38 Ų | 38 | 57.7 Ų | 57.7 | 20% | 0.195 | 27% | 0.266 | C | S | . | . | trans | -110.3 | 141.2 | 174.5 | -56.8 | 172.4 | 0 | 0 | 0 | 111.1 | Q339 L341 N373 | Q339-I376 HydrophobicContact CB-CG1 4.1Å; L341-I376 HydrophobicContact CD1-CG2 3.86Å; N373-I376 WeakPolarHBondContact CB-O 3.21Å; N373-I376 PolarHBondContact ND2-O 3.17Å; N373-I376 WeakPolarHBondContact O-CB 3.44Å; N373-I376 PolarHBondContact O-N 3.34Å | ||
| 377 | P | 74.9 | Confident | 77.8 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.013 | 29% | 0.289 | C | S | . | . | trans | -55.8 | 153.1 | 173.7 | -26.7 | 36.2 | 0 | 0 | 0 | 114.7 | T363 C364 F365 N373 | T363-P377 HydrophobicContact CG2-CB 4.38Å; C364-P377 WeakPolarHBondContact O-CA 3.37Å; F365-P377 HydrophobicContact CD1-CB 3.82Å; F365-P377 HydrophobicContact CD1-CG 3.47Å; F365-P377 VanDerWaalsContact CD1-CG 3.47Å; F365-P377 HydrophobicContact CE1-CB 3.76Å; F365-P377 HydrophobicContact CE1-CG 3.47Å; F365-P377 VanDerWaalsContact CE1-CG 3.47Å; F365-P377 HydrophobicContact CG-CB 4.38Å; F365-P377 HydrophobicContact CG-CG 4.42Å; F365-P377 HydrophobicContact CZ-CB 4.27Å; F365-P377 HydrophobicContact CZ-CG 4.4Å; N373-P377 PolarHBondContact ND2-O 2.95Å; N373-P377 VanDerWaalsContact ND2-O 3.16Å | ||
| 378 | S | 77.1 | Confident | 78 | Confident | 10 Ų | 10 | 61.9 Ų | 61.9 | 7% | 0.07 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 130.1 | -172.3 | -67.5 | 0 | 0 | 0 | 0 | 113.8 | T363 C364 | T363-S378 CarbonylContact C-O 3.46Å; T363-S378 WeakPolarHBondContact CA-O 3.38Å; C364-S378 PolarHBondContact N-O 3.14Å; C364-S378 PolarHBondContact O-N 3.34Å; C364-S378 VanDerWaalsContact O-N 3.12Å |
| 379 | R | 81.6 | Confident | 77.9 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 1% | 0.011 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 138.9 | 173.9 | -62.8 | -179.8 | -173 | -145 | -5.2 | 112.5 | H241 V345 Q349 A360 A362 T363 | H241-R379 PolarHBondContact O-NH1 3.29Å; H241-R379 PolarHBondContact O-NH2 3.45Å; V345-R379 WeakPolarHBondContact O-CD 3.38Å; V345-R379 PolarHBondContact O-NE 3.35Å; V345-R379 PolarHBondContact O-NH1 2.86Å; Q349-R379 HydrophobicContact CG-CB 4.26Å; Q349-R379 PolarHBondContact N-O 3.05Å; A360-R379 HydrophobicContact CB-CB 4.07Å; A362-R379 CarbonylContact O-C 3.38Å; A362-R379 WeakPolarHBondContact O-CA 3.17Å; T363-R379 HydrophobicContact CG2-CG 4.25Å |
| 380 | L | 83.4 | Confident | 77 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 136.8 | -172.6 | -56.3 | 176 | 0 | 0 | 0 | 111.1 | N350 A360 V361 A362 C364 C384 H385 | N350-L380 HydrophobicContact CB-CD2 4.24Å; A360-L380 CarbonylContact C-O 3.58Å; A360-L380 WeakPolarHBondContact CA-O 3.25Å; V361-L380 PolarHBondContact N-O 3.38Å; A362-L380 PolarHBondContact N-O 2.89Å; A362-L380 VanDerWaalsContact N-O 3.13Å; A362-L380 PolarHBondContact O-N 2.87Å; C364-L380 HydrophobicContact CB-CD1 4.49Å; L380-C384 HydrophobicContact CB-CB 4.12Å; L380-C384 HydrophobicContact CD2-CB 4.12Å; L380-H385 HydrophobicContact CB-CB 4.27Å |
| 381 | C | 88.4 | Confident | 76.2 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.007 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 164.6 | 164.3 | 66.5 | 0 | 0 | 0 | 0 | 111.1 | C348 S355 L359 R383 C384 H385 | C348-C381 HydrophobicContact CB-CB 3.91Å; C348-C381 PolarHBondContact SG-N 3.18Å; C348-C381 VanDerWaalsContact SG-N 3.44Å; S355-C381 PolarHBondContact OG-SG 3.38Å; L359-C381 VanDerWaalsContact O-CA 3.22Å; L359-C381 WeakPolarHBondContact O-CA 3.25Å; L359-C381 WeakPolarHBondContact O-CB 3.22Å; C381-R383 VanDerWaalsContact C-N 3.29Å; C381-R383 PolarHBondContact O-N 2.87Å; C381-R383 VanDerWaalsContact O-N 3.15Å; C381-C384 CarbonylContact O-C 3.55Å; C381-C384 WeakPolarHBondContact O-CA 3.36Å; C381-C384 PolarHBondContact O-N 2.89Å; C381-C384 VanDerWaalsContact SG-SG 3.65Å; C381-H385 PolarHBondContact O-N 3.12Å |
| 382 | E | 83.7 | Confident | 75.6 | Confident | 94 Ų | 94 | 64.6 Ų | 64.6 | 44% | 0.439 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -44.7 | -51 | -177.3 | -170.2 | 61.9 | -122.6 | 0 | 0 | 112.9 | V361 C384 H385 Q386 | V361-E382 HydrophobicContact CG1-CB 4.29Å; V361-E382 VanDerWaalsContact CG2-CA 3.48Å; V361-E382 HydrophobicContact CG2-CB 4.06Å; V361-E382 VanDerWaalsContact CG2-N 3.34Å; V361-E382 WeakPolarHBondContact CG2-OE2 3.45Å; E382-C384 PolarHBondContact O-N 2.85Å; E382-H385 PolarHBondContact O-N 2.83Å; E382-Q386 VanDerWaalsContact O-CG 3.31Å; E382-Q386 WeakPolarHBondContact O-CG 3.28Å; E382-Q386 PolarHBondContact O-N 3.35Å; E382-Q386 PolarHBondContact OE1-NE2 2.85Å |
| 383 | R | 84.5 | Confident | 75.8 | Confident | 139 Ų | 139 | 60.6 Ų | 60.6 | 53% | 0.525 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 179 | -167.8 | 179.8 | -177.3 | 100.5 | -1.1 | 113.3 | C381 Q387 | C381-R383 VanDerWaalsContact C-N 3.29Å; C381-R383 PolarHBondContact O-N 2.87Å; C381-R383 VanDerWaalsContact O-N 3.15Å; R383-Q387 WeakPolarHBondContact O-CB 3.25Å; R383-Q387 VanDerWaalsContact O-CG 3.24Å; R383-Q387 WeakPolarHBondContact O-CG 3.25Å; R383-Q387 PolarHBondContact O-N 3.46Å |
| 384 | C | 86.6 | Confident | 75.6 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.014 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -77.4 | -28.9 | 178.9 | -71.8 | 0 | 0 | 0 | 0 | 112.6 | C353 L380 C381 E382 R388 | C353-C384 VanDerWaalsContact SG-SG 3.61Å; L380-C384 HydrophobicContact CB-CB 4.12Å; L380-C384 HydrophobicContact CD2-CB 4.12Å; C381-C384 CarbonylContact O-C 3.55Å; C381-C384 WeakPolarHBondContact O-CA 3.36Å; C381-C384 PolarHBondContact O-N 2.89Å; C381-C384 VanDerWaalsContact SG-SG 3.65Å; E382-C384 PolarHBondContact O-N 2.85Å; C384-R388 PolarHBondContact O-N 3.46Å |
| 385 | H | 84.9 | Confident | 75.5 | Confident | 21 Ų | 21 | 57.1 Ų | 57.1 | 10% | 0.097 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.8 | -54 | 173.2 | 178.2 | 81.7 | 0 | 0 | 0 | 110.3 | V361 A362 L380 C381 E382 Q387 R388 H389 F395 N397 | V361-H385 HydrophobicContact CG2-CB 4.48Å; A362-H385 HydrophobicContact CB-CB 4.26Å; A362-H385 WeakPolarHBondContact CB-ND1 3.22Å; L380-H385 HydrophobicContact CB-CB 4.27Å; C381-H385 PolarHBondContact O-N 3.12Å; E382-H385 PolarHBondContact O-N 2.83Å; H385-Q387 PolarHBondContact O-N 3.01Å; H385-R388 PolarHBondContact O-N 3.45Å; H385-H389 AromaticContact CE1-ND1 3.37Å; H385-H389 PolarHBondContact CE1-ND1 3.3Å; H385-H389 AromaticContact CG-ND1 3.96Å; H385-H389 AromaticContact ND1-CE1 3.52Å; H385-H389 AromaticContact ND1-ND1 3.14Å; H385-H389 PolarHBondContact ND1-ND1 2.68Å; H385-H389 VanDerWaalsContact ND1-ND1 3.14Å; H385-H389 PolarHBondContact O-N 2.9Å; H385-F395 AromaticContact CE1-CD2 3.47Å; H385-F395 VanDerWaalsContact CE1-CD2 3.47Å; H385-F395 WeakPolarHBondContact CE1-CD2 3.38Å; H385-F395 AromaticContact CE1-CE2 3.59Å; H385-F395 AromaticContact CE1-CG 3.96Å; H385-F395 AromaticContact NE2-CE2 3.99Å; H385-N397 PolarHBondContact CE1-OD1 2.9Å |
| 386 | Q | 81.5 | Confident | 75.6 | Confident | 133 Ų | 133 | 54.3 Ų | 54.3 | 62% | 0.621 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -58.8 | -32 | 177.6 | -67.6 | 174 | 5.6 | 0 | 0 | 113.3 | E382 | E382-Q386 VanDerWaalsContact O-CG 3.31Å; E382-Q386 WeakPolarHBondContact O-CG 3.28Å; E382-Q386 PolarHBondContact O-N 3.35Å; E382-Q386 PolarHBondContact OE1-NE2 2.85Å |
| 387 | Q | 79.6 | Confident | 75.5 | Confident | 126 Ų | 126 | 56.2 Ų | 56.2 | 59% | 0.589 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -77.8 | -24.2 | 179.3 | -80.1 | -179.4 | -30.9 | 0 | 0 | 115.1 | R383 H385 | R383-Q387 WeakPolarHBondContact O-CB 3.25Å; R383-Q387 VanDerWaalsContact O-CG 3.24Å; R383-Q387 WeakPolarHBondContact O-CG 3.25Å; R383-Q387 PolarHBondContact O-N 3.46Å; H385-Q387 PolarHBondContact O-N 3.01Å |
| 388 | R | 74.1 | Confident | 75.1 | Confident | 67 Ų | 67 | 58.2 Ų | 58.2 | 25% | 0.253 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -107 | -23.4 | -171.4 | -75 | -166.8 | 173.7 | -164.2 | 0.5 | 115.2 | N350 C384 H385 | N350-R388 PolarHBondContact OD1-NH2 3.43Å; C384-R388 PolarHBondContact O-N 3.46Å; H385-R388 PolarHBondContact O-N 3.45Å |
| 389 | H | 72.6 | Confident | 74.9 | Confident | 30 Ų | 30 | 60.1 Ų | 60.1 | 14% | 0.139 | 33% | 0.329 | C | S | . | . | trans | -107.9 | 85.8 | -172.5 | -58.3 | 155.4 | 0 | 0 | 0 | 111.9 | C364 H385 H393 F395 | C364-H389 PolarHBondContact SG-NE2 3.3Å; H385-H389 AromaticContact CE1-ND1 3.37Å; H385-H389 PolarHBondContact CE1-ND1 3.3Å; H385-H389 AromaticContact CG-ND1 3.96Å; H385-H389 AromaticContact ND1-CE1 3.52Å; H385-H389 AromaticContact ND1-ND1 3.14Å; H385-H389 PolarHBondContact ND1-ND1 2.68Å; H385-H389 VanDerWaalsContact ND1-ND1 3.14Å; H385-H389 PolarHBondContact O-N 2.9Å; H389-H393 AromaticContact CD2-CG 3.8Å; H389-H393 AromaticContact CD2-ND1 3.58Å; H389-H393 AromaticContact NE2-ND1 3.94Å; H389-F395 HydrophobicContact CB-CD1 4.11Å; H389-F395 HydrophobicContact CB-CE1 3.73Å; H389-F395 HydrophobicContact CB-CZ 4.44Å; H389-F395 AromaticContact CE1-CD1 3.6Å; H389-F395 AromaticContact CE1-CG 3.71Å; H389-F395 AromaticContact CG-CD1 3.61Å; H389-F395 AromaticContact CG-CE1 3.78Å; H389-F395 AromaticContact ND1-CD1 3.27Å; H389-F395 VanDerWaalsContact ND1-CD1 3.27Å; H389-F395 WeakPolarHBondContact ND1-CD1 3.38Å; H389-F395 AromaticContact ND1-CE1 3.69Å; H389-F395 AromaticContact ND1-CG 3.61Å | ||
| 390 | S | 58.5 | Low | 74.4 | Confident | 126 Ų | 126 | 63 Ų | 63 | 88% | 0.881 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -101.8 | -22.9 | 178.3 | 53.1 | 0 | 0 | 0 | 0 | 114.9 | ||
| 391 | A | 57.8 | Low | 74 | Confident | 72 Ų | 72 | 65.2 Ų | 65.2 | 60% | 0.595 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -174.6 | 165.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | H393 | A391-H393 VanDerWaalsContact C-N 3.33Å; A391-H393 PolarHBondContact O-N 3.49Å |
| 392 | S | 62.4 | Low | 73.6 | Confident | 117 Ų | 117 | 65.2 Ų | 65.2 | 82% | 0.818 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 59.7 | 18.2 | 173.3 | 74 | 0 | 0 | 0 | 0 | 118.9 | ||
| 393 | H | 72.6 | Confident | 73.5 | Confident | 44 Ų | 44 | 64.3 Ų | 64.3 | 20% | 0.204 | 36% | 0.355 | C | S | . | . | trans | -102.2 | 145.6 | 170.4 | -83.8 | -130 | 0 | 0 | 0 | 111.5 | S366 E368 C369 H389 A391 F395 | S366-H393 PolarHBondContact OG-CE1 2.98Å; S366-H393 PolarHBondContact OG-ND1 3.11Å; E368-H393 IonicContact OE1-NE2 2.61Å; E368-H393 IonicContact OE2-CD2 2.71Å; E368-H393 IonicContact OE2-CE1 3.89Å; E368-H393 IonicContact OE2-NE2 2.71Å; E368-H393 PolarHBondContact OE2-NE2 3.02Å; C369-H393 PolarHBondContact SG-CE1 3.21Å; H389-H393 AromaticContact CD2-CG 3.8Å; H389-H393 AromaticContact CD2-ND1 3.58Å; H389-H393 AromaticContact NE2-ND1 3.94Å; A391-H393 VanDerWaalsContact C-N 3.33Å; A391-H393 PolarHBondContact O-N 3.49Å; H393-F395 HydrophobicContact CB-CD1 4.22Å; H393-F395 WeakPolarHBondContact O-CD1 3.38Å | ||
| 394 | T | 68.7 | Low | 73.2 | Confident | 41 Ų | 41 | 63.8 Ų | 63.8 | 25% | 0.252 | 36% | 0.363 | S | S | . | . | trans | -98.1 | 122.8 | 174.3 | -50 | 0 | 0 | 0 | 0 | 110.3 | A211 A215 C364 F365 | A211-T394 WeakPolarHBondContact O-CG2 3.49Å; A215-T394 HydrophobicContact CB-CG2 4.46Å; C364-T394 WeakPolarHBondContact CA-O 3.4Å; C364-T394 PolarHBondContact SG-O 3.24Å; F365-T394 PolarHBondContact N-O 2.95Å | ||
| 395 | F | 70.4 | Confident | 72.8 | Confident | 67 Ų | 67 | 64.9 Ų | 64.9 | 29% | 0.294 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 169.6 | -176.3 | 57 | -101.6 | 0 | 0 | 0 | 114 | T363 C364 H385 H389 H393 | T363-F395 CarbonylContact O-C 3.17Å; T363-F395 WeakPolarHBondContact O-CA 3.46Å; T363-F395 VanDerWaalsContact O-CB 3.26Å; T363-F395 WeakPolarHBondContact O-CB 3.45Å; C364-F395 HydrophobicContact CB-CB 4.42Å; H385-F395 AromaticContact CE1-CD2 3.47Å; H385-F395 VanDerWaalsContact CE1-CD2 3.47Å; H385-F395 WeakPolarHBondContact CE1-CD2 3.38Å; H385-F395 AromaticContact CE1-CE2 3.59Å; H385-F395 AromaticContact CE1-CG 3.96Å; H385-F395 AromaticContact NE2-CE2 3.99Å; H389-F395 HydrophobicContact CB-CD1 4.11Å; H389-F395 HydrophobicContact CB-CE1 3.73Å; H389-F395 HydrophobicContact CB-CZ 4.44Å; H389-F395 AromaticContact CE1-CD1 3.6Å; H389-F395 AromaticContact CE1-CG 3.71Å; H389-F395 AromaticContact CG-CD1 3.61Å; H389-F395 AromaticContact CG-CE1 3.78Å; H389-F395 AromaticContact ND1-CD1 3.27Å; H389-F395 VanDerWaalsContact ND1-CD1 3.27Å; H389-F395 WeakPolarHBondContact ND1-CD1 3.38Å; H389-F395 AromaticContact ND1-CE1 3.69Å; H389-F395 AromaticContact ND1-CG 3.61Å; H393-F395 HydrophobicContact CB-CD1 4.22Å; H393-F395 WeakPolarHBondContact O-CD1 3.38Å |
| 396 | V | 71.3 | Confident | 72.4 | Confident | 7 Ų | 7 | 68.2 Ų | 68.2 | 4% | 0.042 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 141.7 | -176.3 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | W243 A362 T363 F365 | W243-V396 HydrophobicContact CD2-CG1 3.97Å; W243-V396 HydrophobicContact CE3-CG1 4.12Å; W243-V396 HydrophobicContact CH2-CG1 3.43Å; W243-V396 VanDerWaalsContact CH2-CG1 3.43Å; W243-V396 HydrophobicContact CH2-CG2 4.32Å; W243-V396 HydrophobicContact CZ2-CG1 3.27Å; W243-V396 HydrophobicContact CZ3-CG1 3.87Å; A362-V396 CarbonylContact C-O 3.56Å; A362-V396 WeakPolarHBondContact CA-O 3.48Å; A362-V396 WeakPolarHBondContact CB-O 3.42Å; T363-V396 PolarHBondContact N-O 3.44Å; T363-V396 VanDerWaalsContact N-O 3.09Å; T363-V396 PolarHBondContact O-N 2.87Å; F365-V396 HydrophobicContact CE2-CG2 4.32Å |
| 397 | N | 70.9 | Confident | 72.3 | Confident | 77 Ų | 77 | 66.5 Ų | 66.5 | 41% | 0.412 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 165.8 | -177.1 | -71.3 | -4 | 0 | 0 | 0 | 113.5 | W243 A362 H385 | W243-N397 VanDerWaalsContact CD1-O 3.31Å; W243-N397 PolarHBondContact NE1-O 3.39Å; A362-N397 WeakPolarHBondContact CB-OD1 3.47Å; H385-N397 PolarHBondContact CE1-OD1 2.9Å |
| 398 | G | 66.6 | Low | 72.3 | Confident | 44 Ų | 44 | 65.4 Ų | 65.4 | 45% | 0.454 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 163.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 399 | I | 72.9 | Confident | 72.4 | Confident | 51 Ų | 51 | 62.9 Ų | 62.9 | 26% | 0.262 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -95.6 | 133.7 | -170.4 | -60.2 | 166 | 0 | 0 | 0 | 112.8 | L239 W243 M413 F471 | L239-I399 HydrophobicContact CD1-CD1 4.22Å; W243-I399 HydrophobicContact CG-CD1 4.28Å; I399-M413 HydrophobicContact CG2-CE 3.59Å; I399-F471 HydrophobicContact CG2-CE1 4.16Å; I399-F471 HydrophobicContact CG2-CZ 4.45Å |
| 400 | P | 71.3 | Confident | 72.9 | Confident | 62 Ų | 62 | 63.8 Ų | 63.8 | 40% | 0.403 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -84.9 | 173.8 | 176.4 | 33.7 | -33.8 | 0 | 0 | 0 | 114.3 | ||
| 401 | P | 75.3 | Confident | 74.1 | Confident | 48 Ų | 48 | 60.6 Ų | 60.6 | 31% | 0.312 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 149.8 | 171.7 | -21.8 | 34.3 | 0 | 0 | 0 | 113 | W403 N404 C405 | P401-W403 VanDerWaalsContact C-N 3.34Å; P401-W403 PolarHBondContact O-N 2.88Å; P401-N404 PolarHBondContact O-N 3.44Å; P401-C405 PolarHBondContact O-N 2.84Å; P401-C405 PolarHBondContact O-SG 3.13Å |
| 402 | A | 79.3 | Confident | 75.3 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -55.1 | -48.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112 | N404 C405 F410 M413 F471 | A402-N404 PolarHBondContact O-N 3.15Å; A402-C405 WeakPolarHBondContact O-CB 3.45Å; A402-C405 PolarHBondContact O-N 3.06Å; A402-F410 HydrophobicContact CB-CD2 4.11Å; A402-F410 HydrophobicContact CB-CE2 4.3Å; A402-F410 WeakPolarHBondContact O-CD2 3.47Å; A402-M413 HydrophobicContact CB-SD 3.69Å; A402-F471 HydrophobicContact CB-CB 4.42Å; A402-F471 WeakPolarHBondContact CB-O 3.34Å; A402-F471 PolarHBondContact N-O 2.87Å |
| 403 | W | 81.9 | Confident | 76.4 | Confident | 76 Ų | 76 | 51.9 Ų | 51.9 | 29% | 0.288 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -59.5 | -16.1 | -179.4 | -44 | 134.8 | 0 | 0 | 0 | 114.8 | P401 F410 C472 P473 A478 T482 | P401-W403 VanDerWaalsContact C-N 3.34Å; P401-W403 PolarHBondContact O-N 2.88Å; W403-F410 AromaticContact CE3-CE2 3.78Å; W403-F410 HydrophobicContact CE3-CE2 3.78Å; W403-F410 HydrophobicContact CE3-CZ 4.46Å; W403-F410 AromaticContact CZ3-CE2 3.74Å; W403-F410 HydrophobicContact CZ3-CE2 3.74Å; W403-F410 HydrophobicContact CZ3-CZ 4.09Å; W403-C472 HydrophobicContact CZ2-CB 4.07Å; W403-P473 PolarHBondContact NE1-O 2.83Å; W403-A478 HydrophobicContact CH2-CB 3.95Å; W403-A478 HydrophobicContact CZ2-CB 3.9Å; W403-A478 HydrophobicContact CZ3-CB 4.45Å; W403-T482 HydrophobicContact CH2-CG2 4.1Å; W403-T482 HydrophobicContact CZ3-CG2 4.16Å |
| 404 | N | 77.6 | Confident | 77.2 | Confident | 127 Ų | 127 | 50.2 Ų | 50.2 | 68% | 0.679 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -109.8 | 7 | 179.6 | -65.7 | -1.8 | 0 | 0 | 0 | 113.2 | P401 A402 | P401-N404 PolarHBondContact O-N 3.44Å; A402-N404 PolarHBondContact O-N 3.15Å |
| 405 | C | 78.7 | Confident | 78 | Confident | 26 Ų | 26 | 49.1 Ų | 49.1 | 18% | 0.176 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -82.1 | 161.3 | 179.4 | -67.9 | 0 | 0 | 0 | 0 | 112.2 | P401 A402 T409 F410 | P401-C405 PolarHBondContact O-N 2.84Å; P401-C405 PolarHBondContact O-SG 3.13Å; A402-C405 WeakPolarHBondContact O-CB 3.45Å; A402-C405 PolarHBondContact O-N 3.06Å; C405-T409 HydrophobicContact CB-CG2 4.32Å; C405-F410 HydrophobicContact CB-CB 4.14Å |
| 406 | D | 77.4 | Confident | 78.7 | Confident | 91 Ų | 91 | 46 Ų | 46 | 49% | 0.487 | 26% | 0.262 | S | S | . | . | trans | -67.5 | 154.8 | 162 | 66.5 | -73 | 0 | 0 | 0 | 110.7 | K408 T409 F410 | D406-K408 PolarHBondContact O-N 2.76Å; D406-K408 VanDerWaalsContact O-N 3.1Å; D406-K408 PolarHBondContact OD2-N 2.96Å; D406-T409 VanDerWaalsContact CG-OG1 3.28Å; D406-T409 PolarHBondContact O-N 3.27Å; D406-T409 VanDerWaalsContact O-N 3.07Å; D406-T409 WeakPolarHBondContact OD1-CB 3.47Å; D406-T409 PolarHBondContact OD1-OG1 3.1Å; D406-T409 PolarHBondContact OD2-N 3.32Å; D406-T409 PolarHBondContact OD2-OG1 3.33Å; D406-F410 WeakPolarHBondContact O-CB 3.31Å; D406-F410 PolarHBondContact O-N 3.4Å | ||
| 407 | S | 79.2 | Confident | 79.6 | Confident | 96 Ų | 96 | 45.6 Ų | 45.6 | 67% | 0.671 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -53.8 | -35.7 | -172.4 | 171.5 | 0 | 0 | 0 | 0 | 114.1 | T411 | S407-T411 WeakPolarHBondContact O-CB 3.22Å; S407-T411 PolarHBondContact O-N 2.79Å; S407-T411 VanDerWaalsContact O-N 3.12Å; S407-T411 PolarHBondContact O-OG1 3.24Å |
| 408 | K | 78.3 | Confident | 80.5 | Confident | 103 Ų | 103 | 42.2 Ų | 42.2 | 45% | 0.448 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.6 | -54.2 | 176.5 | -175 | -176.1 | 173.7 | -172 | 0 | 110.4 | D406 F410 T411 D412 | D406-K408 PolarHBondContact O-N 2.76Å; D406-K408 VanDerWaalsContact O-N 3.1Å; D406-K408 PolarHBondContact OD2-N 2.96Å; K408-F410 VanDerWaalsContact C-N 3.27Å; K408-F410 PolarHBondContact O-N 2.71Å; K408-T411 PolarHBondContact O-N 3.18Å; K408-T411 VanDerWaalsContact O-N 3.1Å; K408-D412 WeakPolarHBondContact CE-OD2 3.27Å; K408-D412 PolarHBondContact O-N 3.45Å |
| 409 | T | 76.9 | Confident | 81.4 | Confident | 14 Ų | 14 | 40.8 Ų | 40.8 | 9% | 0.086 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.4 | -34.1 | -179.1 | -51.5 | 0 | 0 | 0 | 0 | 112.4 | N218 L221 C405 D406 M413 | N218-T409 PolarHBondContact ND2-OG1 2.91Å; L221-T409 HydrophobicContact CD1-CG2 4.23Å; C405-T409 HydrophobicContact CB-CG2 4.32Å; D406-T409 VanDerWaalsContact CG-OG1 3.28Å; D406-T409 PolarHBondContact O-N 3.27Å; D406-T409 VanDerWaalsContact O-N 3.07Å; D406-T409 WeakPolarHBondContact OD1-CB 3.47Å; D406-T409 PolarHBondContact OD1-OG1 3.1Å; D406-T409 PolarHBondContact OD2-N 3.32Å; D406-T409 PolarHBondContact OD2-OG1 3.33Å; T409-M413 WeakPolarHBondContact O-CB 3.42Å; T409-M413 PolarHBondContact O-N 3.49Å |
| 410 | F | 83 | Confident | 82.1 | Confident | 50 Ų | 50 | 38.3 Ų | 38.3 | 22% | 0.219 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.2 | -51.1 | 170.6 | 173.4 | -104.7 | 0 | 0 | 0 | 111.6 | A402 W403 C405 D406 K408 M413 I414 T482 | A402-F410 HydrophobicContact CB-CD2 4.11Å; A402-F410 HydrophobicContact CB-CE2 4.3Å; A402-F410 WeakPolarHBondContact O-CD2 3.47Å; W403-F410 AromaticContact CE3-CE2 3.78Å; W403-F410 HydrophobicContact CE3-CE2 3.78Å; W403-F410 HydrophobicContact CE3-CZ 4.46Å; W403-F410 AromaticContact CZ3-CE2 3.74Å; W403-F410 HydrophobicContact CZ3-CE2 3.74Å; W403-F410 HydrophobicContact CZ3-CZ 4.09Å; C405-F410 HydrophobicContact CB-CB 4.14Å; D406-F410 WeakPolarHBondContact O-CB 3.31Å; D406-F410 PolarHBondContact O-N 3.4Å; K408-F410 VanDerWaalsContact C-N 3.27Å; K408-F410 PolarHBondContact O-N 2.71Å; F410-M413 PolarHBondContact O-N 3.04Å; F410-I414 HydrophobicContact CD2-CG1 4.39Å; F410-I414 HydrophobicContact CE1-CG1 4.42Å; F410-I414 HydrophobicContact CE2-CD1 4.24Å; F410-I414 HydrophobicContact CE2-CG1 4.01Å; F410-I414 HydrophobicContact CZ-CG1 4.03Å; F410-I414 WeakPolarHBondContact O-CG1 3.35Å; F410-I414 PolarHBondContact O-N 3.4Å; F410-T482 HydrophobicContact CZ-CG2 4.24Å |
| 411 | T | 84.6 | Confident | 82.8 | Confident | 59 Ų | 59 | 35.5 Ų | 35.5 | 36% | 0.362 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.6 | -48 | 179.6 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | S407 K408 M413 I414 C415 | S407-T411 WeakPolarHBondContact O-CB 3.22Å; S407-T411 PolarHBondContact O-N 2.79Å; S407-T411 VanDerWaalsContact O-N 3.12Å; S407-T411 PolarHBondContact O-OG1 3.24Å; K408-T411 PolarHBondContact O-N 3.18Å; K408-T411 VanDerWaalsContact O-N 3.1Å; T411-M413 PolarHBondContact O-N 2.82Å; T411-I414 PolarHBondContact O-N 3.14Å; T411-C415 WeakPolarHBondContact O-CB 3.36Å; T411-C415 PolarHBondContact O-N 3.49Å; T411-C415 PolarHBondContact O-SG 2.9Å; T411-C415 VanDerWaalsContact O-SG 3.38Å |
| 412 | D | 82.3 | Confident | 83.3 | Confident | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.027 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.3 | -37.2 | 177.1 | -66.5 | -23.5 | 0 | 0 | 0 | 110.6 | L221 K408 A416 | L221-D412 HydrophobicContact CB-CB 4.14Å; K408-D412 WeakPolarHBondContact CE-OD2 3.27Å; K408-D412 PolarHBondContact O-N 3.45Å; D412-A416 VanDerWaalsContact O-CB 3.27Å; D412-A416 WeakPolarHBondContact O-CB 3.29Å; D412-A416 PolarHBondContact O-N 2.83Å |
| 413 | M | 85.1 | Confident | 83.4 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -72 | -44.6 | 179.8 | -171 | -179.9 | -56.3 | 0 | 0 | 113.5 | I399 A402 T409 F410 T411 A416 I417 M467 F471 | I399-M413 HydrophobicContact CG2-CE 3.59Å; A402-M413 HydrophobicContact CB-SD 3.69Å; T409-M413 WeakPolarHBondContact O-CB 3.42Å; T409-M413 PolarHBondContact O-N 3.49Å; F410-M413 PolarHBondContact O-N 3.04Å; T411-M413 PolarHBondContact O-N 2.82Å; M413-A416 PolarHBondContact O-N 2.95Å; M413-I417 HydrophobicContact CG-CD1 4.45Å; M413-I417 WeakPolarHBondContact O-CG1 3.48Å; M413-I417 PolarHBondContact O-N 3.12Å; M413-M467 HydrophobicContact CG-CE 4.5Å; M413-F471 HydrophobicContact SD-CB 3.65Å; M413-F471 HydrophobicContact SD-CD1 4.18Å; M413-F471 HydrophobicContact SD-CD2 4.26Å; M413-F471 HydrophobicContact SD-CG 3.8Å |
| 414 | I | 89.2 | Confident | 83.2 | Confident | 8 Ų | 8 | 31.2 Ų | 31.2 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.9 | -43.7 | 176 | -61.6 | -60.4 | 0 | 0 | 0 | 110.3 | F410 T411 A416 I417 V418 C472 T482 | F410-I414 HydrophobicContact CD2-CG1 4.39Å; F410-I414 HydrophobicContact CE1-CG1 4.42Å; F410-I414 HydrophobicContact CE2-CD1 4.24Å; F410-I414 HydrophobicContact CE2-CG1 4.01Å; F410-I414 HydrophobicContact CZ-CG1 4.03Å; F410-I414 WeakPolarHBondContact O-CG1 3.35Å; F410-I414 PolarHBondContact O-N 3.4Å; T411-I414 PolarHBondContact O-N 3.14Å; I414-A416 VanDerWaalsContact C-N 3.3Å; I414-A416 PolarHBondContact O-N 2.94Å; I414-I417 PolarHBondContact O-N 3.03Å; I414-V418 WeakPolarHBondContact O-CG2 3.32Å; I414-V418 PolarHBondContact O-N 3.47Å; I414-C472 VanDerWaalsContact CD1-SG 3.58Å; I414-T482 HydrophobicContact CD1-CG2 3.97Å; I414-T482 HydrophobicContact CG1-CG2 4.33Å |
| 415 | C | 86.9 | Confident | 83 | Confident | 19 Ų | 19 | 25.6 Ų | 25.6 | 13% | 0.128 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.8 | -35.3 | 175.6 | -71.3 | 0 | 0 | 0 | 0 | 112.5 | A225 T411 S419 | A225-C415 HydrophobicContact CB-CB 3.67Å; T411-C415 WeakPolarHBondContact O-CB 3.36Å; T411-C415 PolarHBondContact O-N 3.49Å; T411-C415 PolarHBondContact O-SG 2.9Å; T411-C415 VanDerWaalsContact O-SG 3.38Å; C415-S419 WeakPolarHBondContact O-CB 3.46Å; C415-S419 PolarHBondContact O-N 3.23Å; C415-S419 PolarHBondContact O-OG 3.34Å |
| 416 | A | 85 | Confident | 82.5 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.1 | -44.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I224 D412 M413 I414 S419 L420 M467 | I224-A416 HydrophobicContact CB-CB 4.23Å; I224-A416 HydrophobicContact CG2-CB 3.73Å; D412-A416 VanDerWaalsContact O-CB 3.27Å; D412-A416 WeakPolarHBondContact O-CB 3.29Å; D412-A416 PolarHBondContact O-N 2.83Å; M413-A416 PolarHBondContact O-N 2.95Å; I414-A416 VanDerWaalsContact C-N 3.3Å; I414-A416 PolarHBondContact O-N 2.94Å; A416-S419 PolarHBondContact O-N 3.3Å; A416-L420 VanDerWaalsContact O-CG 3.29Å; A416-L420 WeakPolarHBondContact O-CG 3.46Å; A416-L420 PolarHBondContact O-N 3.21Å; A416-M467 HydrophobicContact CB-CE 4.43Å |
| 417 | I | 89.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.2 | -52.7 | 176.4 | -69.4 | 163.3 | 0 | 0 | 0 | 110.5 | M413 I414 S419 L420 L421 M467 L468 L486 | M413-I417 HydrophobicContact CG-CD1 4.45Å; M413-I417 WeakPolarHBondContact O-CG1 3.48Å; M413-I417 PolarHBondContact O-N 3.12Å; I414-I417 PolarHBondContact O-N 3.03Å; I417-S419 VanDerWaalsContact C-N 3.33Å; I417-S419 PolarHBondContact O-N 3.18Å; I417-L420 PolarHBondContact O-N 3.39Å; I417-L421 HydrophobicContact CG2-CD1 4.27Å; I417-L421 WeakPolarHBondContact O-CG 3.32Å; I417-L421 PolarHBondContact O-N 3.4Å; I417-M467 HydrophobicContact CD1-CB 4.25Å; I417-M467 HydrophobicContact CG1-CB 3.66Å; I417-M467 HydrophobicContact CG1-CE 4.4Å; I417-L468 HydrophobicContact CG2-CB 4.01Å; I417-L486 HydrophobicContact CG2-CD2 3.99Å |
| 418 | V | 88.9 | Confident | 81 | Confident | 6 Ų | 6 | 18.9 Ų | 18.9 | 4% | 0.036 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.9 | -43.1 | 179.3 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | I414 L420 L421 K422 L486 A489 V546 | I414-V418 WeakPolarHBondContact O-CG2 3.32Å; I414-V418 PolarHBondContact O-N 3.47Å; V418-L420 VanDerWaalsContact C-N 3.32Å; V418-L420 PolarHBondContact O-N 2.75Å; V418-L421 PolarHBondContact O-N 2.76Å; V418-K422 HydrophobicContact CG1-CD 4.17Å; V418-K422 HydrophobicContact CG1-CG 4.48Å; V418-K422 WeakPolarHBondContact O-CG 3.17Å; V418-K422 PolarHBondContact O-N 3.1Å; V418-L486 HydrophobicContact CG2-CD2 4.32Å; V418-A489 HydrophobicContact CG2-CB 4.43Å; V418-V546 HydrophobicContact CG1-CG1 3.48Å; V418-V546 VanDerWaalsContact CG1-CG1 3.48Å; V418-V546 HydrophobicContact CG2-CG1 4.44Å |
| 419 | S | 84.9 | Confident | 80.1 | Confident | 13 Ų | 13 | 16.3 Ų | 16.3 | 9% | 0.091 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.3 | -37.1 | 178.3 | -65.3 | 0 | 0 | 0 | 0 | 113 | A225 C415 A416 I417 | A225-S419 PolarHBondContact O-OG 2.84Å; C415-S419 WeakPolarHBondContact O-CB 3.46Å; C415-S419 PolarHBondContact O-N 3.23Å; C415-S419 PolarHBondContact O-OG 3.34Å; A416-S419 PolarHBondContact O-N 3.3Å; I417-S419 VanDerWaalsContact C-N 3.33Å; I417-S419 PolarHBondContact O-N 3.18Å |
| 420 | L | 87.5 | Confident | 79.1 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -71.6 | -39.2 | 177.2 | -71.4 | 169.9 | 0 | 0 | 0 | 112.5 | I224 A416 I417 V418 K422 E423 L460 S461 M467 | I224-L420 HydrophobicContact CG2-CD1 4.41Å; I224-L420 HydrophobicContact CG2-CD2 4.44Å; I224-L420 HydrophobicContact CG2-CG 4.26Å; A416-L420 VanDerWaalsContact O-CG 3.29Å; A416-L420 WeakPolarHBondContact O-CG 3.46Å; A416-L420 PolarHBondContact O-N 3.21Å; I417-L420 PolarHBondContact O-N 3.39Å; V418-L420 VanDerWaalsContact C-N 3.32Å; V418-L420 PolarHBondContact O-N 2.75Å; L420-K422 VanDerWaalsContact C-N 3.33Å; L420-E423 PolarHBondContact O-N 2.86Å; L420-L460 HydrophobicContact CD2-CB 3.93Å; L420-L460 HydrophobicContact CD2-CD1 4.44Å; L420-L460 HydrophobicContact CD2-CD2 3.8Å; L420-L460 HydrophobicContact CD2-CG 4.27Å; L420-S461 VanDerWaalsContact O-CA 3.26Å; L420-S461 WeakPolarHBondContact O-CA 3.26Å; L420-M467 HydrophobicContact CD1-SD 3.65Å |
| 421 | L | 87.7 | Confident | 77.6 | Confident | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65 | -37.8 | 175.8 | -65.2 | 180 | 0 | 0 | 0 | 111.9 | I417 V418 E423 T424 I465 A489 | I417-L421 HydrophobicContact CG2-CD1 4.27Å; I417-L421 WeakPolarHBondContact O-CG 3.32Å; I417-L421 PolarHBondContact O-N 3.4Å; V418-L421 PolarHBondContact O-N 2.76Å; L421-E423 PolarHBondContact O-N 3.21Å; L421-T424 PolarHBondContact O-OG1 3.08Å; L421-I465 HydrophobicContact CD1-CD1 4.47Å; L421-I465 HydrophobicContact CD2-CD1 3.43Å; L421-I465 VanDerWaalsContact CD2-CD1 3.43Å; L421-I465 HydrophobicContact CD2-CG1 3.58Å; L421-A489 HydrophobicContact CD1-CB 3.88Å |
| 422 | K | 85 | Confident | 76 | Confident | 36 Ų | 36 | 25.7 Ų | 25.7 | 16% | 0.157 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -14.9 | 176.3 | -74.4 | -178.5 | 177.9 | -159.2 | 0 | 114.6 | V418 L420 T424 S425 V426 L492 G547 D551 | V418-K422 HydrophobicContact CG1-CD 4.17Å; V418-K422 HydrophobicContact CG1-CG 4.48Å; V418-K422 WeakPolarHBondContact O-CG 3.17Å; V418-K422 PolarHBondContact O-N 3.1Å; L420-K422 VanDerWaalsContact C-N 3.33Å; K422-T424 PolarHBondContact O-N 2.94Å; K422-T424 VanDerWaalsContact O-N 3.13Å; K422-S425 PolarHBondContact O-N 3.37Å; K422-S425 PolarHBondContact O-OG 3.43Å; K422-V426 PolarHBondContact O-N 3.27Å; K422-L492 HydrophobicContact CG-CD2 4.3Å; K422-G547 VanDerWaalsContact CE-N 3.34Å; K422-D551 IonicContact NZ-OD1 2.65Å; K422-D551 PolarHBondContact NZ-OD1 2.68Å; K422-D551 IonicContact NZ-OD2 2.66Å; K422-D551 PolarHBondContact NZ-OD2 3.12Å |
| 423 | E | 81.6 | Confident | 74.4 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.7 | -20.1 | 179.2 | -64.8 | -63.5 | 156.8 | 0 | 0 | 113.2 | S229 R232 L420 L421 M427 R457 L460 | S229-E423 WeakPolarHBondContact CB-OE2 3.38Å; R232-E423 WeakPolarHBondContact CD-OE1 3.5Å; R232-E423 IonicContact CZ-OE1 3.11Å; R232-E423 IonicContact NE-OE1 2.64Å; R232-E423 IonicContact NH1-OE1 3.35Å; R232-E423 PolarHBondContact NH1-OE1 3.37Å; L420-E423 PolarHBondContact O-N 2.86Å; L421-E423 PolarHBondContact O-N 3.21Å; E423-M427 PolarHBondContact O-N 3.27Å; E423-R457 HydrophobicContact CB-CB 4.26Å; E423-R457 WeakPolarHBondContact OE2-CD 3.28Å; E423-L460 HydrophobicContact CB-CB 4.31Å; E423-L460 HydrophobicContact CG-CB 4.1Å; E423-L460 HydrophobicContact CG-CD1 3.92Å |
| 424 | T | 77.8 | Confident | 72.4 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -73.8 | -31.5 | 169.7 | 55.2 | 0 | 0 | 0 | 0 | 113.3 | L421 K422 M427 L428 T496 T497 L500 | L421-T424 PolarHBondContact O-OG1 3.08Å; K422-T424 PolarHBondContact O-N 2.94Å; K422-T424 VanDerWaalsContact O-N 3.13Å; T424-M427 PolarHBondContact O-N 3.34Å; T424-L428 PolarHBondContact O-N 3.14Å; T424-T496 PolarHBondContact OG1-OG1 2.91Å; T424-T497 HydrophobicContact CG2-CG2 4.02Å; T424-L500 HydrophobicContact CG2-CD1 4.28Å |
| 425 | S | 73.8 | Confident | 70.3 | Confident | 8 Ų | 8 | 40 Ų | 40 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.2 | -40.7 | 176.5 | 79.4 | 0 | 0 | 0 | 0 | 110.9 | K422 M427 L428 E429 | K422-S425 PolarHBondContact O-N 3.37Å; K422-S425 PolarHBondContact O-OG 3.43Å; S425-M427 PolarHBondContact O-N 3.36Å; S425-L428 PolarHBondContact O-N 3.11Å; S425-L428 VanDerWaalsContact O-N 3.09Å; S425-E429 VanDerWaalsContact O-CG 3.32Å; S425-E429 WeakPolarHBondContact O-CG 3.39Å; S425-E429 PolarHBondContact O-N 3.33Å |
| 426 | V | 68.1 | Low | 68 | Low | 32 Ų | 32 | 43 Ų | 43 | 19% | 0.194 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.6 | -31.1 | 175.4 | -168.2 | 0 | 0 | 0 | 0 | 111.5 | K422 E429 E430 | K422-V426 PolarHBondContact O-N 3.27Å; V426-E429 PolarHBondContact O-N 3.38Å; V426-E430 PolarHBondContact O-N 2.84Å |
| 427 | M | 62.4 | Low | 65.9 | Low | 9 Ų | 9 | 46.4 Ų | 46.4 | 4% | 0.044 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68 | -40.7 | 174.7 | -89.1 | -71.2 | 131.8 | 0 | 0 | 113.6 | E423 T424 S425 E429 E430 M431 S454 R457 | E423-M427 PolarHBondContact O-N 3.27Å; T424-M427 PolarHBondContact O-N 3.34Å; S425-M427 PolarHBondContact O-N 3.36Å; M427-E429 VanDerWaalsContact C-N 3.35Å; M427-E430 WeakPolarHBondContact CE-OE2 3.26Å; M427-E430 PolarHBondContact O-N 2.96Å; M427-M431 WeakPolarHBondContact O-CG 3.39Å; M427-M431 PolarHBondContact O-N 3.13Å; M427-S454 WeakPolarHBondContact SD-CA 3.29Å; M427-S454 VanDerWaalsContact SD-CB 3.55Å; M427-S454 PolarHBondContact SD-OG 2.74Å; M427-R457 HydrophobicContact CE-CB 4.2Å; M427-R457 HydrophobicContact CE-CG 4.18Å; M427-R457 HydrophobicContact CG-CB 4Å |
| 428 | L | 62.3 | Low | 63.5 | Low | 31 Ų | 31 | 54.8 Ų | 54.8 | 16% | 0.162 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.7 | -39.1 | 173.3 | -68.7 | 177.4 | 0 | 0 | 0 | 111.4 | T424 S425 E430 M431 E432 T496 L499 | T424-L428 PolarHBondContact O-N 3.14Å; S425-L428 PolarHBondContact O-N 3.11Å; S425-L428 VanDerWaalsContact O-N 3.09Å; L428-E430 VanDerWaalsContact C-N 3.33Å; L428-E430 PolarHBondContact O-N 2.93Å; L428-M431 CarbonylContact O-C 3.58Å; L428-M431 PolarHBondContact O-N 2.91Å; L428-M431 VanDerWaalsContact O-N 3.12Å; L428-E432 WeakPolarHBondContact O-CG 3.2Å; L428-E432 PolarHBondContact O-N 3.42Å; L428-T496 HydrophobicContact CD1-CG2 3.85Å; L428-L499 HydrophobicContact CD1-CB 4.3Å; L428-L499 HydrophobicContact CD1-CD1 3.91Å; L428-L499 HydrophobicContact CD2-CB 4Å |
| 429 | E | 60.1 | Low | 61.4 | Low | 50 Ų | 50 | 62.1 Ų | 62.1 | 23% | 0.234 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 176.1 | -66 | 172.3 | -171.4 | 0 | 0 | 112.4 | S425 V426 M427 A433 K552 R657 | S425-E429 VanDerWaalsContact O-CG 3.32Å; S425-E429 WeakPolarHBondContact O-CG 3.39Å; S425-E429 PolarHBondContact O-N 3.33Å; V426-E429 PolarHBondContact O-N 3.38Å; M427-E429 VanDerWaalsContact C-N 3.35Å; E429-A433 WeakPolarHBondContact O-CB 3.46Å; E429-A433 PolarHBondContact O-N 3.02Å; E429-A433 VanDerWaalsContact O-N 3.09Å; E429-K552 VanDerWaalsContact CG-NZ 3.31Å; E429-K552 WeakPolarHBondContact OE1-CE 3.2Å; E429-K552 IonicContact OE1-NZ 2.72Å; E429-K552 PolarHBondContact OE1-NZ 3.03Å; E429-K552 WeakPolarHBondContact OE2-CE 3.43Å; E429-K552 IonicContact OE2-NZ 2.87Å; E429-K552 PolarHBondContact OE2-NZ 2.98Å; E429-R657 IonicContact OE1-NH1 3.99Å; E429-R657 PolarHBondContact OE1-NH1 3.41Å |
| 430 | E | 56.1 | Low | 59.3 | Low | 73 Ų | 73 | 64.3 Ų | 64.3 | 34% | 0.341 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.3 | -35.9 | 173.2 | -75.8 | 175.4 | -176.9 | 0 | 0 | 112.1 | V426 M427 L428 E434 R457 | V426-E430 PolarHBondContact O-N 2.84Å; M427-E430 WeakPolarHBondContact CE-OE2 3.26Å; M427-E430 PolarHBondContact O-N 2.96Å; L428-E430 VanDerWaalsContact C-N 3.33Å; L428-E430 PolarHBondContact O-N 2.93Å; E430-E434 WeakPolarHBondContact O-CG 3.41Å; E430-E434 PolarHBondContact O-N 3.41Å; E430-R457 VanDerWaalsContact CD-NH2 3.32Å; E430-R457 IonicContact OE1-CZ 3.7Å; E430-R457 IonicContact OE1-NH1 3.19Å; E430-R457 PolarHBondContact OE1-NH1 3.28Å; E430-R457 IonicContact OE1-NH2 3.15Å; E430-R457 PolarHBondContact OE1-NH2 3.16Å; E430-R457 IonicContact OE2-CZ 2.69Å; E430-R457 VanDerWaalsContact OE2-CZ 3.24Å; E430-R457 IonicContact OE2-NH1 2.68Å; E430-R457 PolarHBondContact OE2-NH1 2.96Å; E430-R457 VanDerWaalsContact OE2-NH1 3.11Å; E430-R457 IonicContact OE2-NH2 3.86Å; E430-R457 PolarHBondContact OE2-NH2 2.94Å |
| 431 | M | 51.6 | Low | 57.2 | Low | 110 Ų | 110 | 67.2 Ų | 67.2 | 54% | 0.542 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.8 | -36.5 | 173.8 | -73.7 | -175.5 | 65.3 | 0 | 0 | 113.4 | M427 L428 E434 | M427-M431 WeakPolarHBondContact O-CG 3.39Å; M427-M431 PolarHBondContact O-N 3.13Å; L428-M431 CarbonylContact O-C 3.58Å; L428-M431 PolarHBondContact O-N 2.91Å; L428-M431 VanDerWaalsContact O-N 3.12Å; M431-E434 PolarHBondContact O-N 3.03Å |
| 432 | E | 49 | Very low | 55 | Low | 137 Ų | 137 | 75.7 Ų | 75.7 | 64% | 0.64 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -71.3 | -38.2 | 177 | -73.8 | -163.7 | 135 | 0 | 0 | 112.6 | L428 E434 | L428-E432 WeakPolarHBondContact O-CG 3.2Å; L428-E432 PolarHBondContact O-N 3.42Å; E432-E434 PolarHBondContact O-N 3.32Å |
| 433 | A | 49.6 | Very low | 53.2 | Low | 65 Ų | 65 | 79.9 Ų | 79.9 | 54% | 0.537 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.5 | -27.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E429 K435 | E429-A433 WeakPolarHBondContact O-CB 3.46Å; E429-A433 PolarHBondContact O-N 3.02Å; E429-A433 VanDerWaalsContact O-N 3.09Å; A433-K435 PolarHBondContact O-N 3.24Å |
| 434 | E | 44.1 | Very low | 51.1 | Low | 66 Ų | 66 | 85.6 Ų | 85.6 | 31% | 0.308 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 46.9 | -176.9 | -66.4 | -165.5 | -173.4 | 0 | 0 | 114.3 | E430 M431 E432 I436 K450 | E430-E434 WeakPolarHBondContact O-CG 3.41Å; E430-E434 PolarHBondContact O-N 3.41Å; M431-E434 PolarHBondContact O-N 3.03Å; E432-E434 PolarHBondContact O-N 3.32Å; E434-I436 PolarHBondContact O-N 2.61Å; E434-K450 WeakPolarHBondContact OE1-CE 3.42Å; E434-K450 IonicContact OE1-NZ 2.81Å; E434-K450 PolarHBondContact OE1-NZ 3.37Å; E434-K450 IonicContact OE2-NZ 3.47Å; E434-K450 PolarHBondContact OE2-NZ 3.1Å |
| 435 | K | 43.2 | Very low | 49.5 | Very low | 183 Ų | 183 | 93.3 Ų | 93.3 | 80% | 0.796 | 45% | 0.454 | S | S | * | . | trans | -67.7 | 42.3 | 160.4 | -73.5 | 177.6 | -179.4 | 166.7 | 0 | 112.8 | A433 | A433-K435 PolarHBondContact O-N 3.24Š| ||
| 436 | I | 40.4 | Very low | 48.1 | Very low | 83 Ų | 83 | 95.5 Ų | 95.5 | 43% | 0.426 | 47% | 0.467 | S | S | . | . | trans | -85 | 134.8 | 174.2 | -60.9 | 177.1 | 0 | 0 | 0 | 108.6 | E434 K438 L440 | E434-I436 PolarHBondContact O-N 2.61Å; I436-K438 PolarHBondContact O-N 3.26Å; I436-L440 HydrophobicContact CG2-CB 3.8Å; I436-L440 HydrophobicContact CG2-CD1 4.46Å | ||
| 437 | P | 40.6 | Very low | 46.9 | Very low | 70 Ų | 70 | 98.1 Ų | 98.1 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | trans | -57.8 | 136.6 | -177.4 | -27.5 | 35.7 | 0 | 0 | 0 | 114 | W439 L440 Q441 | P437-W439 PolarHBondContact O-N 3.18Å; P437-L440 WeakPolarHBondContact O-CB 3.42Å; P437-L440 PolarHBondContact O-N 3.28Å; P437-Q441 PolarHBondContact O-N 3.07Å | ||
| 438 | K | 39.7 | Very low | 46 | Very low | 176 Ų | 176 | 104.2 Ų | 104.2 | 77% | 0.765 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -10.8 | -177.6 | -66.2 | -174.1 | 175.6 | -176.6 | 0 | 116.5 | I436 | I436-K438 PolarHBondContact O-N 3.26Š|
| 439 | W | 43.5 | Very low | 45.1 | Very low | 161 Ų | 161 | 106 Ų | 106 | 61% | 0.61 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -30.7 | 173.5 | 72.7 | -95.6 | 0 | 0 | 0 | 112.3 | P437 K442 I443 | P437-W439 PolarHBondContact O-N 3.18Å; W439-K442 PolarHBondContact O-N 2.76Å; W439-I443 HydrophobicContact CE3-CD1 3.63Å; W439-I443 HydrophobicContact CZ3-CD1 3.68Å; W439-I443 PolarHBondContact O-N 3.31Å |
| 440 | L | 40.3 | Very low | 44.5 | Very low | 58 Ų | 58 | 107.8 Ų | 107.8 | 30% | 0.304 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -42 | 174.1 | -109.4 | 147 | 0 | 0 | 0 | 110.6 | I436 P437 K442 I443 E444 | I436-L440 HydrophobicContact CG2-CB 3.8Å; I436-L440 HydrophobicContact CG2-CD1 4.46Å; P437-L440 WeakPolarHBondContact O-CB 3.42Å; P437-L440 PolarHBondContact O-N 3.28Å; L440-K442 PolarHBondContact O-N 3.29Å; L440-K442 VanDerWaalsContact O-N 3.13Å; L440-I443 PolarHBondContact O-N 2.84Å; L440-E444 PolarHBondContact O-N 3.36Å |
| 441 | Q | 44.3 | Very low | 44.3 | Very low | 61 Ų | 61 | 109.7 Ų | 109.7 | 29% | 0.285 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -26.4 | 168.9 | -73.3 | 175.6 | -30.4 | 0 | 0 | 113.4 | P437 | P437-Q441 PolarHBondContact O-N 3.07Š|
| 442 | K | 40.8 | Very low | 44.3 | Very low | 180 Ų | 180 | 107.5 Ų | 107.5 | 78% | 0.783 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -13.6 | 176.9 | -86.3 | -170.2 | 172.6 | -173.2 | 0 | 115.1 | W439 L440 | W439-K442 PolarHBondContact O-N 2.76Å; L440-K442 PolarHBondContact O-N 3.29Å; L440-K442 VanDerWaalsContact O-N 3.13Å |
| 443 | I | 47.6 | Very low | 44.4 | Very low | 124 Ų | 124 | 103.1 Ų | 103.1 | 64% | 0.636 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -39.1 | -179.6 | -68.2 | 175.3 | 0 | 0 | 0 | 110 | W439 L440 | W439-I443 HydrophobicContact CE3-CD1 3.63Å; W439-I443 HydrophobicContact CZ3-CD1 3.68Å; W439-I443 PolarHBondContact O-N 3.31Å; L440-I443 PolarHBondContact O-N 2.84Å |
| 444 | E | 38.5 | Very low | 45 | Very low | 120 Ų | 120 | 100.6 Ų | 100.6 | 56% | 0.561 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -85.9 | 114.2 | 170 | -62.2 | -169.1 | 156.7 | 0 | 0 | 109.1 | L440 V446 | L440-E444 PolarHBondContact O-N 3.36Å; E444-V446 HydrophobicContact CB-CG2 3.85Å; E444-V446 PolarHBondContact O-N 3.48Å |
| 445 | N | 44.1 | Very low | 46 | Very low | 162 Ų | 162 | 100 Ų | 100 | 87% | 0.866 | 48% | 0.48 | S | S | * | . | trans | -75.6 | 48.4 | -171.2 | -156.3 | 47.1 | 0 | 0 | 0 | 112.7 | ||||
| 446 | V | 43.3 | Very low | 46.9 | Very low | 54 Ų | 54 | 94.9 Ų | 94.9 | 33% | 0.327 | 46% | 0.461 | S | S | . | . | trans | -101.1 | -12.5 | -163.9 | 175.1 | 0 | 0 | 0 | 0 | 112.4 | E444 E448 E449 K450 | E444-V446 HydrophobicContact CB-CG2 3.85Å; E444-V446 PolarHBondContact O-N 3.48Å; V446-E448 PolarHBondContact O-N 3.07Å; V446-E449 PolarHBondContact O-N 3.48Å; V446-K450 HydrophobicContact CG1-CD 3.76Å; V446-K450 HydrophobicContact CG1-CG 4.01Å; V446-K450 PolarHBondContact O-N 3.32Å | ||
| 447 | D | 44.3 | Very low | 48.4 | Very low | 87 Ų | 87 | 91.4 Ų | 91.4 | 47% | 0.465 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.9 | -39.4 | -174.6 | -77.6 | -14.7 | 0 | 0 | 0 | 113.6 | M451 | D447-M451 WeakPolarHBondContact O-CB 3.24Å; D447-M451 PolarHBondContact O-N 3.46Å |
| 448 | E | 43.6 | Very low | 50.1 | Low | 138 Ų | 138 | 89 Ų | 89 | 65% | 0.645 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65.7 | -42.4 | -178.1 | -70.9 | -166 | 160.4 | 0 | 0 | 112.6 | V446 M451 E452 | V446-E448 PolarHBondContact O-N 3.07Å; E448-M451 PolarHBondContact O-N 2.89Å; E448-E452 PolarHBondContact O-N 3.15Å |
| 449 | E | 42.2 | Very low | 51.6 | Low | 69 Ų | 69 | 83.9 Ų | 83.9 | 32% | 0.322 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -72.1 | -39.2 | -177.7 | -81 | 171.3 | -126.7 | 0 | 0 | 112.9 | C264 V266 V446 L453 | C264-E449 VanDerWaalsContact SG-CG 3.52Å; V266-E449 WeakPolarHBondContact CB-OE1 3.3Å; V266-E449 WeakPolarHBondContact CG2-OE1 3.45Å; V446-E449 PolarHBondContact O-N 3.48Å; E449-L453 WeakPolarHBondContact O-CB 3.39Å; E449-L453 WeakPolarHBondContact O-CG 3.46Å; E449-L453 PolarHBondContact O-N 3.04Å; E449-L453 VanDerWaalsContact O-N 3.12Å |
| 450 | K | 47.7 | Very low | 53 | Low | 86 Ų | 86 | 76.4 Ų | 76.4 | 37% | 0.374 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.6 | -36.7 | 173.9 | -72.6 | -177.2 | -177.9 | 169.3 | 0 | 111.9 | E434 V446 L453 S454 | E434-K450 WeakPolarHBondContact OE1-CE 3.42Å; E434-K450 IonicContact OE1-NZ 2.81Å; E434-K450 PolarHBondContact OE1-NZ 3.37Å; E434-K450 IonicContact OE2-NZ 3.47Å; E434-K450 PolarHBondContact OE2-NZ 3.1Å; V446-K450 HydrophobicContact CG1-CD 3.76Å; V446-K450 HydrophobicContact CG1-CG 4.01Å; V446-K450 PolarHBondContact O-N 3.32Å; K450-L453 PolarHBondContact O-N 3.19Å; K450-S454 WeakPolarHBondContact O-CB 3.35Å; K450-S454 PolarHBondContact O-N 3.5Å |
| 451 | M | 52.7 | Low | 55.1 | Low | 113 Ų | 113 | 73.7 Ų | 73.7 | 56% | 0.557 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -68.4 | -44.4 | 177.2 | -169 | 175.5 | 69.4 | 0 | 0 | 111.7 | D447 E448 L453 S454 D455 | D447-M451 WeakPolarHBondContact O-CB 3.24Å; D447-M451 PolarHBondContact O-N 3.46Å; E448-M451 PolarHBondContact O-N 2.89Å; M451-L453 VanDerWaalsContact C-N 3.33Å; M451-L453 PolarHBondContact O-N 3.3Å; M451-S454 WeakPolarHBondContact O-CB 3.27Å; M451-S454 PolarHBondContact O-N 3.22Å; M451-S454 VanDerWaalsContact O-N 3.1Å; M451-D455 PolarHBondContact O-N 3.43Å |
| 452 | E | 49.8 | Very low | 56.8 | Low | 64 Ų | 64 | 73.2 Ų | 73.2 | 30% | 0.299 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 173.7 | -74 | -159.8 | 145.6 | 0 | 0 | 111.8 | R259 C264 E448 S454 D455 D456 | R259-E452 IonicContact CZ-OE1 2.7Å; R259-E452 IonicContact NH1-OE1 2.64Å; R259-E452 PolarHBondContact NH1-OE1 2.86Å; R259-E452 IonicContact NH2-OE1 2.76Å; C264-E452 WeakPolarHBondContact CB-OE2 3.34Å; E448-E452 PolarHBondContact O-N 3.15Å; E452-S454 VanDerWaalsContact C-N 3.33Å; E452-S454 PolarHBondContact O-N 3.21Å; E452-D455 PolarHBondContact O-N 2.89Å; E452-D456 WeakPolarHBondContact O-CB 3.49Å; E452-D456 PolarHBondContact O-N 3.38Å |
| 453 | L | 51.8 | Low | 58.6 | Low | 45 Ų | 45 | 65.2 Ų | 65.2 | 24% | 0.236 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.2 | -33.2 | 173.5 | -77.8 | 168 | 0 | 0 | 0 | 113.2 | T196 I233 E449 K450 M451 R457 | T196-L453 HydrophobicContact CG2-CD1 4.45Å; I233-L453 HydrophobicContact CD1-CD2 4.13Å; E449-L453 WeakPolarHBondContact O-CB 3.39Å; E449-L453 WeakPolarHBondContact O-CG 3.46Å; E449-L453 PolarHBondContact O-N 3.04Å; E449-L453 VanDerWaalsContact O-N 3.12Å; K450-L453 PolarHBondContact O-N 3.19Å; M451-L453 VanDerWaalsContact C-N 3.33Å; M451-L453 PolarHBondContact O-N 3.3Å; L453-R457 WeakPolarHBondContact O-CG 3.43Å; L453-R457 PolarHBondContact O-N 3.46Å; L453-R457 VanDerWaalsContact O-N 3.14Å |
| 454 | S | 62.9 | Low | 60.3 | Low | 13 Ų | 13 | 59.3 Ų | 59.3 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.1 | -46.9 | 175.5 | -168.1 | 0 | 0 | 0 | 0 | 111.8 | M427 K450 M451 E452 R457 R458 | M427-S454 WeakPolarHBondContact SD-CA 3.29Å; M427-S454 VanDerWaalsContact SD-CB 3.55Å; M427-S454 PolarHBondContact SD-OG 2.74Å; K450-S454 WeakPolarHBondContact O-CB 3.35Å; K450-S454 PolarHBondContact O-N 3.5Å; M451-S454 WeakPolarHBondContact O-CB 3.27Å; M451-S454 PolarHBondContact O-N 3.22Å; M451-S454 VanDerWaalsContact O-N 3.1Å; E452-S454 VanDerWaalsContact C-N 3.33Å; E452-S454 PolarHBondContact O-N 3.21Å; S454-R457 PolarHBondContact O-N 2.84Å; S454-R458 WeakPolarHBondContact O-CG 3.37Å; S454-R458 PolarHBondContact O-N 3.44Å; S454-R458 PolarHBondContact OG-NE 3.12Å; S454-R458 PolarHBondContact OG-NH2 3.19Å |
| 455 | D | 65.4 | Low | 62.6 | Low | 52 Ų | 52 | 53.7 Ų | 53.7 | 28% | 0.278 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 179.5 | -73.2 | -2.8 | 0 | 0 | 0 | 111.4 | M451 E452 R458 M459 I505 | M451-D455 PolarHBondContact O-N 3.43Å; E452-D455 PolarHBondContact O-N 2.89Å; D455-R458 PolarHBondContact O-N 3.08Å; D455-M459 PolarHBondContact O-N 3.33Å; D455-I505 HydrophobicContact CB-CD1 3.55Å; D455-I505 WeakPolarHBondContact OD1-CD1 3.36Å |
| 456 | D | 62.1 | Low | 64.2 | Low | 76 Ų | 76 | 49.1 Ų | 49.1 | 41% | 0.406 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61 | -43.6 | 175.3 | -89.7 | -9.4 | 0 | 0 | 0 | 112 | E452 M459 L460 | E452-D456 WeakPolarHBondContact O-CB 3.49Å; E452-D456 PolarHBondContact O-N 3.38Å; D456-M459 WeakPolarHBondContact O-CB 3.49Å; D456-M459 PolarHBondContact O-N 3.32Å; D456-L460 PolarHBondContact O-N 2.91Å |
| 457 | R | 71.5 | Confident | 66.1 | Low | 10 Ų | 10 | 47 Ų | 47 | 4% | 0.038 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.8 | -38.1 | 178.2 | -72.4 | -167.1 | -141.9 | 177.3 | 8.6 | 113.2 | I233 E423 M427 E430 L453 S454 M459 L460 S461 | I233-R457 HydrophobicContact CD1-CG 4.47Å; E423-R457 HydrophobicContact CB-CB 4.26Å; E423-R457 WeakPolarHBondContact OE2-CD 3.28Å; M427-R457 HydrophobicContact CE-CB 4.2Å; M427-R457 HydrophobicContact CE-CG 4.18Å; M427-R457 HydrophobicContact CG-CB 4Å; E430-R457 VanDerWaalsContact CD-NH2 3.32Å; E430-R457 IonicContact OE1-CZ 3.7Å; E430-R457 IonicContact OE1-NH1 3.19Å; E430-R457 PolarHBondContact OE1-NH1 3.28Å; E430-R457 IonicContact OE1-NH2 3.15Å; E430-R457 PolarHBondContact OE1-NH2 3.16Å; E430-R457 IonicContact OE2-CZ 2.69Å; E430-R457 VanDerWaalsContact OE2-CZ 3.24Å; E430-R457 IonicContact OE2-NH1 2.68Å; E430-R457 PolarHBondContact OE2-NH1 2.96Å; E430-R457 VanDerWaalsContact OE2-NH1 3.11Å; E430-R457 IonicContact OE2-NH2 3.86Å; E430-R457 PolarHBondContact OE2-NH2 2.94Å; L453-R457 WeakPolarHBondContact O-CG 3.43Å; L453-R457 PolarHBondContact O-N 3.46Å; L453-R457 VanDerWaalsContact O-N 3.14Å; S454-R457 PolarHBondContact O-N 2.84Å; R457-M459 VanDerWaalsContact C-N 3.3Å; R457-M459 PolarHBondContact O-N 2.99Å; R457-L460 WeakPolarHBondContact O-CB 3.45Å; R457-L460 PolarHBondContact O-N 2.84Å; R457-L460 VanDerWaalsContact O-N 3.15Å; R457-S461 PolarHBondContact O-N 3.26Å |
| 458 | R | 75.5 | Confident | 68.2 | Low | 19 Ų | 19 | 43 Ų | 43 | 7% | 0.072 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61 | -41.4 | 171.1 | -68.3 | -179.2 | -142.8 | 174.2 | 15 | 110.9 | S454 D455 L460 S461 L500 D503 I505 I509 | S454-R458 WeakPolarHBondContact O-CG 3.37Å; S454-R458 PolarHBondContact O-N 3.44Å; S454-R458 PolarHBondContact OG-NE 3.12Å; S454-R458 PolarHBondContact OG-NH2 3.19Å; D455-R458 PolarHBondContact O-N 3.08Å; R458-L460 PolarHBondContact O-N 3.13Å; R458-S461 PolarHBondContact O-N 3.09Å; R458-S461 PolarHBondContact O-OG 2.68Å; R458-L500 HydrophobicContact CG-CD1 4.41Å; R458-D503 IonicContact CZ-OD2 2.69Å; R458-D503 IonicContact NH1-OD1 2.84Å; R458-D503 IonicContact NH1-OD2 3.75Å; R458-D503 PolarHBondContact NH1-OD2 2.9Å; R458-I505 HydrophobicContact CB-CG2 3.72Å; R458-I509 HydrophobicContact CB-CD1 4.41Å |
| 459 | M | 71.2 | Confident | 70 | Confident | 69 Ų | 69 | 38.7 Ų | 38.7 | 34% | 0.34 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64 | -33.8 | 172.8 | -77.8 | -142.9 | -172.6 | 0 | 0 | 113.7 | D455 D456 R457 S461 R462 L463 | D455-M459 PolarHBondContact O-N 3.33Å; D456-M459 WeakPolarHBondContact O-CB 3.49Å; D456-M459 PolarHBondContact O-N 3.32Å; R457-M459 VanDerWaalsContact C-N 3.3Å; R457-M459 PolarHBondContact O-N 2.99Å; M459-S461 VanDerWaalsContact C-N 3.33Å; M459-S461 PolarHBondContact O-N 3.22Å; M459-R462 WeakPolarHBondContact O-CB 3.34Å; M459-R462 PolarHBondContact O-N 3.04Å; M459-L463 PolarHBondContact O-N 3.38Å; M459-L463 VanDerWaalsContact O-N 3.13Å |
| 460 | L | 74.4 | Confident | 71.6 | Confident | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.6 | -41.4 | 174.6 | -75.1 | -179.6 | 0 | 0 | 0 | 112 | I233 T236 L420 E423 D456 R457 R458 R462 L463 G464 | I233-L460 HydrophobicContact CG1-CD1 3.66Å; I233-L460 HydrophobicContact CG1-CG 4.5Å; T236-L460 HydrophobicContact CG2-CD2 4.05Å; L420-L460 HydrophobicContact CD2-CB 3.93Å; L420-L460 HydrophobicContact CD2-CD1 4.44Å; L420-L460 HydrophobicContact CD2-CD2 3.8Å; L420-L460 HydrophobicContact CD2-CG 4.27Å; E423-L460 HydrophobicContact CB-CB 4.31Å; E423-L460 HydrophobicContact CG-CB 4.1Å; E423-L460 HydrophobicContact CG-CD1 3.92Å; D456-L460 PolarHBondContact O-N 2.91Å; R457-L460 WeakPolarHBondContact O-CB 3.45Å; R457-L460 PolarHBondContact O-N 2.84Å; R457-L460 VanDerWaalsContact O-N 3.15Å; R458-L460 PolarHBondContact O-N 3.13Å; L460-R462 VanDerWaalsContact C-N 3.28Å; L460-R462 PolarHBondContact O-N 3.03Å; L460-L463 HydrophobicContact CD2-CD1 4.3Å; L460-L463 CarbonylContact O-C 3.59Å; L460-L463 WeakPolarHBondContact O-CA 3.33Å; L460-L463 WeakPolarHBondContact O-CB 3.33Å; L460-L463 PolarHBondContact O-N 3.06Å; L460-G464 PolarHBondContact O-N 3.41Å |
| 461 | S | 83.5 | Confident | 73.1 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61 | -37 | 177 | 78.4 | 0 | 0 | 0 | 0 | 112.7 | L420 R457 R458 M459 L463 G464 I465 W493 | L420-S461 VanDerWaalsContact O-CA 3.26Å; L420-S461 WeakPolarHBondContact O-CA 3.26Å; R457-S461 PolarHBondContact O-N 3.26Å; R458-S461 PolarHBondContact O-N 3.09Å; R458-S461 PolarHBondContact O-OG 2.68Å; M459-S461 VanDerWaalsContact C-N 3.33Å; M459-S461 PolarHBondContact O-N 3.22Å; S461-L463 VanDerWaalsContact C-N 3.31Å; S461-L463 PolarHBondContact O-N 3.2Å; S461-G464 CarbonylContact O-C 3.49Å; S461-G464 WeakPolarHBondContact O-CA 3.42Å; S461-G464 PolarHBondContact O-N 2.8Å; S461-G464 VanDerWaalsContact O-N 3.07Å; S461-I465 PolarHBondContact O-N 3.15Å; S461-W493 PolarHBondContact OG-NE1 3.06Å |
| 462 | R | 80.5 | Confident | 74.7 | Confident | 52 Ų | 52 | 32 Ų | 32 | 20% | 0.196 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.6 | -34.1 | 173.1 | -167.9 | -179.2 | -173.2 | -164.4 | 7.6 | 112.2 | M459 L460 R466 E511 V512 | M459-R462 WeakPolarHBondContact O-CB 3.34Å; M459-R462 PolarHBondContact O-N 3.04Å; L460-R462 VanDerWaalsContact C-N 3.28Å; L460-R462 PolarHBondContact O-N 3.03Å; R462-R466 VanDerWaalsContact O-CG 3.3Å; R462-R466 WeakPolarHBondContact O-CG 3.32Å; R462-R466 PolarHBondContact O-N 3.31Å; R462-R466 VanDerWaalsContact O-N 3.1Å; R462-E511 IonicContact NH2-OE2 2.69Å; R462-V512 HydrophobicContact CG-CG2 4.32Å |
| 463 | L | 78 | Confident | 76.3 | Confident | 11 Ų | 11 | 31.8 Ų | 31.8 | 6% | 0.058 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.3 | -35.9 | 170.8 | -62.4 | 174.5 | 0 | 0 | 0 | 111.4 | T236 F240 Y258 M459 L460 S461 R466 M467 | T236-L463 HydrophobicContact CG2-CD1 3.98Å; F240-L463 HydrophobicContact CE2-CD1 4.31Å; F240-L463 HydrophobicContact CE2-CD2 4.49Å; Y258-L463 HydrophobicContact CE1-CD1 4.33Å; Y258-L463 WeakPolarHBondContact OH-CD1 3.2Å; Y258-L463 WeakPolarHBondContact OH-CD2 3.27Å; M459-L463 PolarHBondContact O-N 3.38Å; M459-L463 VanDerWaalsContact O-N 3.13Å; L460-L463 HydrophobicContact CD2-CD1 4.3Å; L460-L463 CarbonylContact O-C 3.59Å; L460-L463 WeakPolarHBondContact O-CA 3.33Å; L460-L463 WeakPolarHBondContact O-CB 3.33Å; L460-L463 PolarHBondContact O-N 3.06Å; S461-L463 VanDerWaalsContact C-N 3.31Å; S461-L463 PolarHBondContact O-N 3.2Å; L463-R466 PolarHBondContact O-N 2.82Å; L463-M467 WeakPolarHBondContact O-CG 3.48Å; L463-M467 PolarHBondContact O-N 3.41Å |
| 464 | G | 84.5 | Confident | 77.7 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.6 | -52.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L460 S461 R466 M467 L468 | L460-G464 PolarHBondContact O-N 3.41Å; S461-G464 CarbonylContact O-C 3.49Å; S461-G464 WeakPolarHBondContact O-CA 3.42Å; S461-G464 PolarHBondContact O-N 2.8Å; S461-G464 VanDerWaalsContact O-N 3.07Å; G464-R466 VanDerWaalsContact C-N 3.29Å; G464-R466 PolarHBondContact O-N 3.26Å; G464-M467 PolarHBondContact O-N 2.98Å; G464-M467 VanDerWaalsContact O-N 3.09Å; G464-L468 PolarHBondContact O-N 3.4Å |
| 465 | I | 86.3 | Confident | 78.6 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.6 | -39.2 | 175.1 | -62.6 | -67.8 | 0 | 0 | 0 | 111.2 | L421 S461 M467 L468 V469 W493 V512 V517 | L421-I465 HydrophobicContact CD1-CD1 4.47Å; L421-I465 HydrophobicContact CD2-CD1 3.43Å; L421-I465 VanDerWaalsContact CD2-CD1 3.43Å; L421-I465 HydrophobicContact CD2-CG1 3.58Å; S461-I465 PolarHBondContact O-N 3.15Å; I465-M467 VanDerWaalsContact C-N 3.34Å; I465-M467 PolarHBondContact O-N 2.86Å; I465-L468 HydrophobicContact CD1-CD2 4.29Å; I465-L468 WeakPolarHBondContact O-CB 3.46Å; I465-L468 PolarHBondContact O-N 2.81Å; I465-V469 HydrophobicContact CG2-CG2 4.2Å; I465-V469 WeakPolarHBondContact O-CG2 3.31Å; I465-V469 PolarHBondContact O-N 3.47Å; I465-W493 HydrophobicContact CD1-CD2 4.32Å; I465-W493 HydrophobicContact CD1-CE3 4.21Å; I465-W493 HydrophobicContact CD1-CH2 4.37Å; I465-W493 HydrophobicContact CD1-CZ2 4.48Å; I465-W493 HydrophobicContact CD1-CZ3 4.23Å; I465-W493 HydrophobicContact CG1-CH2 4.19Å; I465-W493 HydrophobicContact CG1-CZ2 4.02Å; I465-V512 HydrophobicContact CB-CG1 4.14Å; I465-V512 HydrophobicContact CG1-CG1 4.31Å; I465-V512 HydrophobicContact CG2-CG1 3.56Å; I465-V517 HydrophobicContact CD1-CG2 3.95Å; I465-V517 HydrophobicContact CG2-CG2 3.93Å |
| 466 | R | 77.9 | Confident | 79.1 | Confident | 66 Ų | 66 | 37.7 Ų | 37.7 | 25% | 0.249 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.4 | -37 | 175.1 | -76.3 | 176 | 177 | -172.8 | 1.7 | 112.8 | F250 R462 L463 G464 R470 | F250-R466 HydrophobicContact CD1-CB 4.31Å; F250-R466 HydrophobicContact CD1-CG 4.3Å; F250-R466 HydrophobicContact CE1-CB 4.03Å; F250-R466 HydrophobicContact CE1-CG 4.02Å; F250-R466 PolarHBondContact O-NH1 3.34Å; R462-R466 VanDerWaalsContact O-CG 3.3Å; R462-R466 WeakPolarHBondContact O-CG 3.32Å; R462-R466 PolarHBondContact O-N 3.31Å; R462-R466 VanDerWaalsContact O-N 3.1Å; L463-R466 PolarHBondContact O-N 2.82Å; G464-R466 VanDerWaalsContact C-N 3.29Å; G464-R466 PolarHBondContact O-N 3.26Å; R466-R470 WeakPolarHBondContact O-CB 3.21Å; R466-R470 PolarHBondContact O-N 3.49Å; R466-R470 VanDerWaalsContact O-N 3.08Å |
| 467 | M | 82.8 | Confident | 79.8 | Confident | 10 Ų | 10 | 43 Ų | 43 | 5% | 0.049 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.5 | -43.6 | 173.4 | -73.2 | -176.1 | 70.1 | 0 | 0 | 111.6 | M413 A416 I417 L420 L463 G464 I465 R470 F471 | M413-M467 HydrophobicContact CG-CE 4.5Å; A416-M467 HydrophobicContact CB-CE 4.43Å; I417-M467 HydrophobicContact CD1-CB 4.25Å; I417-M467 HydrophobicContact CG1-CB 3.66Å; I417-M467 HydrophobicContact CG1-CE 4.4Å; L420-M467 HydrophobicContact CD1-SD 3.65Å; L463-M467 WeakPolarHBondContact O-CG 3.48Å; L463-M467 PolarHBondContact O-N 3.41Å; G464-M467 PolarHBondContact O-N 2.98Å; G464-M467 VanDerWaalsContact O-N 3.09Å; I465-M467 VanDerWaalsContact C-N 3.34Å; I465-M467 PolarHBondContact O-N 2.86Å; M467-R470 PolarHBondContact O-N 2.93Å; M467-F471 HydrophobicContact CB-CD2 4.01Å; M467-F471 HydrophobicContact CB-CE2 4.36Å; M467-F471 HydrophobicContact CE-CD2 4.41Å; M467-F471 HydrophobicContact CE-CE2 4.29Å; M467-F471 HydrophobicContact CG-CD2 4.21Å; M467-F471 HydrophobicContact CG-CE2 4.06Å; M467-F471 WeakPolarHBondContact O-CB 3.29Å; M467-F471 WeakPolarHBondContact O-CD2 3.39Å; M467-F471 PolarHBondContact O-N 3.35Å |
| 468 | L | 87.5 | Confident | 80.3 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -52.5 | -60.9 | 173.5 | 173.4 | 63.6 | 0 | 0 | 0 | 111.2 | I417 G464 I465 R470 C472 L486 V490 W520 | I417-L468 HydrophobicContact CG2-CB 4.01Å; G464-L468 PolarHBondContact O-N 3.4Å; I465-L468 HydrophobicContact CD1-CD2 4.29Å; I465-L468 WeakPolarHBondContact O-CB 3.46Å; I465-L468 PolarHBondContact O-N 2.81Å; L468-R470 VanDerWaalsContact C-N 3.26Å; L468-R470 PolarHBondContact O-N 3.29Å; L468-C472 HydrophobicContact CD1-CB 4.21Å; L468-C472 CarbonylContact O-C 3.41Å; L468-C472 WeakPolarHBondContact O-CA 3.48Å; L468-C472 WeakPolarHBondContact O-CB 3.42Å; L468-C472 PolarHBondContact O-N 2.89Å; L468-L486 HydrophobicContact CD1-CB 4.13Å; L468-L486 HydrophobicContact CD1-CD1 3.74Å; L468-L486 HydrophobicContact CD1-CD2 4.03Å; L468-L486 HydrophobicContact CD1-CG 4.17Å; L468-V490 HydrophobicContact CD2-CG2 3.99Å; L468-W520 HydrophobicContact CD1-CZ2 4.01Å |
| 469 | V | 82.6 | Confident | 80.6 | Confident | 48 Ų | 48 | 44.9 Ų | 44.9 | 29% | 0.291 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.2 | -31.4 | -177.7 | 176 | 0 | 0 | 0 | 0 | 112 | I465 F516 | I465-V469 HydrophobicContact CG2-CG2 4.2Å; I465-V469 WeakPolarHBondContact O-CG2 3.31Å; I465-V469 PolarHBondContact O-N 3.47Å; V469-F516 HydrophobicContact CG2-CB 4.33Å |
| 470 | R | 74.4 | Confident | 81.2 | Confident | 95 Ų | 95 | 45.6 Ų | 45.6 | 36% | 0.358 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -82.7 | -40.4 | -176.8 | -180 | 61 | -167.2 | 102.8 | -4 | 114.3 | F250 R466 M467 L468 | F250-R470 HydrophobicContact CE1-CB 4.38Å; R466-R470 WeakPolarHBondContact O-CB 3.21Å; R466-R470 PolarHBondContact O-N 3.49Å; R466-R470 VanDerWaalsContact O-N 3.08Å; M467-R470 PolarHBondContact O-N 2.93Å; L468-R470 VanDerWaalsContact C-N 3.26Å; L468-R470 PolarHBondContact O-N 3.29Å |
| 471 | F | 80.6 | Confident | 81.7 | Confident | 31 Ų | 31 | 52 Ų | 52 | 14% | 0.136 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -107 | -22.2 | -170.6 | -61.1 | -67.4 | 0 | 0 | 0 | 113.5 | I399 A402 M413 M467 P473 | I399-F471 HydrophobicContact CG2-CE1 4.16Å; I399-F471 HydrophobicContact CG2-CZ 4.45Å; A402-F471 HydrophobicContact CB-CB 4.42Å; A402-F471 WeakPolarHBondContact CB-O 3.34Å; A402-F471 PolarHBondContact N-O 2.87Å; M413-F471 HydrophobicContact SD-CB 3.65Å; M413-F471 HydrophobicContact SD-CD1 4.18Å; M413-F471 HydrophobicContact SD-CD2 4.26Å; M413-F471 HydrophobicContact SD-CG 3.8Å; M467-F471 HydrophobicContact CB-CD2 4.01Å; M467-F471 HydrophobicContact CB-CE2 4.36Å; M467-F471 HydrophobicContact CE-CD2 4.41Å; M467-F471 HydrophobicContact CE-CE2 4.29Å; M467-F471 HydrophobicContact CG-CD2 4.21Å; M467-F471 HydrophobicContact CG-CE2 4.06Å; M467-F471 WeakPolarHBondContact O-CB 3.29Å; M467-F471 WeakPolarHBondContact O-CD2 3.39Å; M467-F471 PolarHBondContact O-N 3.35Å; F471-P473 VanDerWaalsContact C-CD 3.48Å |
| 472 | C | 85.6 | Confident | 81.9 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | trans | -130.1 | 58.9 | -175 | -53.3 | 0 | 0 | 0 | 0 | 113.1 | W403 I414 L468 L486 | W403-C472 HydrophobicContact CZ2-CB 4.07Å; I414-C472 VanDerWaalsContact CD1-SG 3.58Å; L468-C472 HydrophobicContact CD1-CB 4.21Å; L468-C472 CarbonylContact O-C 3.41Å; L468-C472 WeakPolarHBondContact O-CA 3.48Å; L468-C472 WeakPolarHBondContact O-CB 3.42Å; L468-C472 PolarHBondContact O-N 2.89Å; C472-L486 HydrophobicContact CB-CD1 4.05Å | ||
| 473 | P | 82.8 | Confident | 82.3 | Confident | 59 Ų | 59 | 50.6 Ų | 50.6 | 38% | 0.383 | 25% | 0.252 | S | S | . | . | trans | -65.5 | 140.7 | 170.1 | 29.8 | -34.8 | 0 | 0 | 0 | 110.4 | W403 F471 | W403-P473 PolarHBondContact NE1-O 2.83Å; F471-P473 VanDerWaalsContact C-CD 3.48Å | ||
| 474 | P | 82.3 | Confident | 82.8 | Confident | 13 Ų | 13 | 50.1 Ų | 50.1 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | trans | -76.5 | 129.1 | -177.4 | 31.5 | -31.1 | 0 | 0 | 0 | 109.9 | Q523 V524 | P474-Q523 HydrophobicContact CG-CB 3.84Å; P474-Q523 VanDerWaalsContact CG-OE1 3.29Å; P474-V524 HydrophobicContact CB-CG2 4.19Å | ||
| 475 | T | 80.7 | Confident | 83.1 | Confident | 59 Ų | 59 | 55.4 Ų | 55.4 | 36% | 0.362 | 27% | 0.269 | S | S | . | . | trans | -135.1 | 153.1 | 179.6 | 59.1 | 0 | 0 | 0 | 0 | 109.1 | E477 A478 | T475-E477 PolarHBondContact O-N 3.4Å; T475-A478 WeakPolarHBondContact O-CB 3.47Å; T475-A478 PolarHBondContact O-N 3.18Å; T475-A478 WeakPolarHBondContact OG1-CB 3.29Å; T475-A478 PolarHBondContact OG1-N 3.42Å | ||
| 476 | K | 77.5 | Confident | 83.3 | Confident | 162 Ų | 162 | 55.3 Ų | 55.3 | 70% | 0.704 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -16.8 | 178.7 | -61.3 | -172.2 | 177.3 | -168.3 | 0 | 114.8 | Y527 | K476-Y527 HydrophobicContact CG-CD1 4.14Å; K476-Y527 HydrophobicContact CG-CD2 4.35Å; K476-Y527 HydrophobicContact CG-CE1 4.43Å; K476-Y527 HydrophobicContact CG-CG 4.13Å |
| 477 | E | 75.4 | Confident | 83.9 | Confident | 188 Ų | 188 | 52.2 Ų | 52.2 | 88% | 0.879 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -4.8 | 178.1 | -63.6 | 177.7 | -176.5 | 0 | 0 | 112.5 | T475 | T475-E477 PolarHBondContact O-N 3.4Š|
| 478 | A | 82.3 | Confident | 84.2 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 5% | 0.05 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -75.9 | 140.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | W403 T475 D480 I483 | W403-A478 HydrophobicContact CH2-CB 3.95Å; W403-A478 HydrophobicContact CZ2-CB 3.9Å; W403-A478 HydrophobicContact CZ3-CB 4.45Å; T475-A478 WeakPolarHBondContact O-CB 3.47Å; T475-A478 PolarHBondContact O-N 3.18Å; T475-A478 WeakPolarHBondContact OG1-CB 3.29Å; T475-A478 PolarHBondContact OG1-N 3.42Å; A478-D480 PolarHBondContact O-N 3.47Å; A478-I483 HydrophobicContact CB-CD1 3.95Å; A478-I483 HydrophobicContact CB-CG1 4.36Å |
| 479 | P | 82.9 | Confident | 84.2 | Confident | 63 Ų | 63 | 52.2 Ų | 52.2 | 41% | 0.409 | 26% | 0.259 | S | S | . | . | trans | -68.8 | 127.3 | -173.7 | 23.4 | -31.3 | 0 | 0 | 0 | 112.4 | E481 T482 I483 | P479-E481 VanDerWaalsContact C-N 3.27Å; P479-E481 PolarHBondContact O-N 3.31Å; P479-T482 WeakPolarHBondContact O-CB 3.46Å; P479-T482 PolarHBondContact O-N 2.83Å; P479-I483 PolarHBondContact O-N 3.29Å; P479-I483 VanDerWaalsContact O-N 3.08Å | ||
| 480 | D | 83.5 | Confident | 84.6 | Confident | 84 Ų | 84 | 49.9 Ų | 49.9 | 45% | 0.449 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -49.4 | -44.3 | -178.5 | -68.8 | -24.4 | 0 | 0 | 0 | 112.8 | A478 T482 I483 G484 H528 V531 | A478-D480 PolarHBondContact O-N 3.47Å; D480-T482 VanDerWaalsContact C-N 3.28Å; D480-T482 PolarHBondContact O-N 3.02Å; D480-I483 PolarHBondContact O-N 3.02Å; D480-I483 VanDerWaalsContact O-N 3.15Å; D480-G484 PolarHBondContact O-N 3.37Å; D480-H528 IonicContact OD1-CE1 3.82Å; D480-H528 PolarHBondContact OD1-CE1 2.97Å; D480-H528 VanDerWaalsContact OD1-CE1 3.29Å; D480-H528 IonicContact OD1-CG 3.62Å; D480-H528 IonicContact OD1-ND1 2.73Å; D480-H528 PolarHBondContact OD1-ND1 3.19Å; D480-V531 HydrophobicContact CB-CG2 4.13Å |
| 481 | E | 85 | Confident | 85.4 | Confident | 138 Ų | 138 | 45.7 Ų | 45.7 | 65% | 0.645 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -59 | -37.8 | 177.9 | -61 | 178.1 | 177.5 | 0 | 0 | 112.6 | P479 R485 Y543 | P479-E481 VanDerWaalsContact C-N 3.27Å; P479-E481 PolarHBondContact O-N 3.31Å; E481-R485 WeakPolarHBondContact O-CB 3.47Å; E481-R485 PolarHBondContact O-N 3.36Å; E481-Y543 HydrophobicContact CB-CD1 4.34Å; E481-Y543 HydrophobicContact CB-CG 4.2Å; E481-Y543 HydrophobicContact CG-CD1 4.07Å; E481-Y543 HydrophobicContact CG-CG 4.43Å |
| 482 | T | 87.7 | Confident | 85.6 | Confident | 21 Ų | 21 | 44.4 Ų | 44.4 | 13% | 0.129 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -75.4 | -37.8 | 177.5 | -58.1 | 0 | 0 | 0 | 0 | 110.7 | W403 F410 I414 P479 D480 R485 L486 | W403-T482 HydrophobicContact CH2-CG2 4.1Å; W403-T482 HydrophobicContact CZ3-CG2 4.16Å; F410-T482 HydrophobicContact CZ-CG2 4.24Å; I414-T482 HydrophobicContact CD1-CG2 3.97Å; I414-T482 HydrophobicContact CG1-CG2 4.33Å; P479-T482 WeakPolarHBondContact O-CB 3.46Å; P479-T482 PolarHBondContact O-N 2.83Å; D480-T482 VanDerWaalsContact C-N 3.28Å; D480-T482 PolarHBondContact O-N 3.02Å; T482-R485 PolarHBondContact O-N 2.87Å; T482-L486 HydrophobicContact CG2-CD1 4.25Å; T482-L486 VanDerWaalsContact O-CG 3.26Å; T482-L486 WeakPolarHBondContact O-CG 3.19Å; T482-L486 PolarHBondContact O-N 3.2Å; T482-L486 VanDerWaalsContact O-N 3.09Å |
| 483 | I | 89.2 | Confident | 85.8 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.4 | -46.8 | 174.2 | -69.7 | 178.5 | 0 | 0 | 0 | 110.5 | A478 P479 D480 R485 L486 L487 V524 H528 | A478-I483 HydrophobicContact CB-CD1 3.95Å; A478-I483 HydrophobicContact CB-CG1 4.36Å; P479-I483 PolarHBondContact O-N 3.29Å; P479-I483 VanDerWaalsContact O-N 3.08Å; D480-I483 PolarHBondContact O-N 3.02Å; D480-I483 VanDerWaalsContact O-N 3.15Å; I483-R485 VanDerWaalsContact C-N 3.34Å; I483-R485 PolarHBondContact O-N 2.85Å; I483-L486 CarbonylContact O-C 3.56Å; I483-L486 PolarHBondContact O-N 3.36Å; I483-L486 VanDerWaalsContact O-N 3.11Å; I483-L487 WeakPolarHBondContact O-CB 3.24Å; I483-L487 PolarHBondContact O-N 2.92Å; I483-V524 HydrophobicContact CG2-CG1 3.63Å; I483-V524 HydrophobicContact CG2-CG2 4.01Å; I483-H528 VanDerWaalsContact CD1-CE1 3.5Å; I483-H528 WeakPolarHBondContact CD1-CE1 3.37Å; I483-H528 WeakPolarHBondContact CD1-NE2 3.46Å |
| 484 | G | 88.1 | Confident | 86 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.2 | -39.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | D480 L486 L487 A488 | D480-G484 PolarHBondContact O-N 3.37Å; G484-L486 VanDerWaalsContact C-N 3.28Å; G484-L486 PolarHBondContact O-N 3.14Å; G484-L487 PolarHBondContact O-N 3.06Å; G484-A488 WeakPolarHBondContact O-CB 3.4Å; G484-A488 PolarHBondContact O-N 3.33Å |
| 485 | R | 89.4 | Confident | 86 | Confident | 111 Ų | 111 | 42.1 Ų | 42.1 | 42% | 0.419 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62 | -35.4 | 173.4 | -165.5 | -180 | -175.3 | 145.3 | 6.1 | 113 | E481 T482 I483 A489 Y543 V546 | E481-R485 WeakPolarHBondContact O-CB 3.47Å; E481-R485 PolarHBondContact O-N 3.36Å; T482-R485 PolarHBondContact O-N 2.87Å; I483-R485 VanDerWaalsContact C-N 3.34Å; I483-R485 PolarHBondContact O-N 2.85Å; R485-A489 PolarHBondContact O-N 3.25Å; R485-Y543 WeakPolarHBondContact CA-O 3.31Å; R485-Y543 VanDerWaalsContact CB-O 3.29Å; R485-Y543 WeakPolarHBondContact CB-O 3.32Å; R485-V546 HydrophobicContact CB-CG2 4.36Å; R485-V546 HydrophobicContact CG-CG2 3.61Å |
| 486 | L | 91.8 | Very high | 85.9 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -78.1 | -36.7 | 175.4 | -64.4 | 171.5 | 0 | 0 | 0 | 111.6 | I417 V418 L468 C472 T482 I483 G484 A489 V490 W520 | I417-L486 HydrophobicContact CG2-CD2 3.99Å; V418-L486 HydrophobicContact CG2-CD2 4.32Å; L468-L486 HydrophobicContact CD1-CB 4.13Å; L468-L486 HydrophobicContact CD1-CD1 3.74Å; L468-L486 HydrophobicContact CD1-CD2 4.03Å; L468-L486 HydrophobicContact CD1-CG 4.17Å; C472-L486 HydrophobicContact CB-CD1 4.05Å; T482-L486 HydrophobicContact CG2-CD1 4.25Å; T482-L486 VanDerWaalsContact O-CG 3.26Å; T482-L486 WeakPolarHBondContact O-CG 3.19Å; T482-L486 PolarHBondContact O-N 3.2Å; T482-L486 VanDerWaalsContact O-N 3.09Å; I483-L486 CarbonylContact O-C 3.56Å; I483-L486 PolarHBondContact O-N 3.36Å; I483-L486 VanDerWaalsContact O-N 3.11Å; G484-L486 VanDerWaalsContact C-N 3.28Å; G484-L486 PolarHBondContact O-N 3.14Å; L486-A489 PolarHBondContact O-N 3.45Å; L486-V490 WeakPolarHBondContact O-CG2 3.42Å; L486-V490 PolarHBondContact O-N 3.43Å; L486-W520 HydrophobicContact CB-CH2 3.94Å; L486-W520 HydrophobicContact CB-CZ2 4.09Å |
| 487 | L | 90.8 | Very high | 86 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.1 | -44.9 | 178.1 | -169.6 | 116 | 0 | 0 | 0 | 111.6 | I483 G484 A489 V490 F491 W520 L521 V524 C535 | I483-L487 WeakPolarHBondContact O-CB 3.24Å; I483-L487 PolarHBondContact O-N 2.92Å; G484-L487 PolarHBondContact O-N 3.06Å; L487-A489 PolarHBondContact O-N 3.49Å; L487-V490 CarbonylContact O-C 3.53Å; L487-V490 WeakPolarHBondContact O-CA 3.5Å; L487-V490 WeakPolarHBondContact O-CB 3.12Å; L487-V490 PolarHBondContact O-N 3.35Å; L487-V490 VanDerWaalsContact O-N 3.07Å; L487-F491 HydrophobicContact CD2-CD2 4.2Å; L487-F491 HydrophobicContact CD2-CE1 4.03Å; L487-F491 HydrophobicContact CD2-CE2 3.57Å; L487-F491 HydrophobicContact CD2-CZ 3.48Å; L487-F491 VanDerWaalsContact CD2-CZ 3.48Å; L487-F491 HydrophobicContact CG-CE1 4.07Å; L487-F491 HydrophobicContact CG-CE2 4.41Å; L487-F491 HydrophobicContact CG-CZ 4.02Å; L487-F491 PolarHBondContact O-N 3.48Å; L487-W520 HydrophobicContact CB-CH2 4.45Å; L487-W520 HydrophobicContact CB-CZ3 4.43Å; L487-W520 HydrophobicContact CD1-CZ3 4.24Å; L487-L521 HydrophobicContact CD1-CD2 3.81Å; L487-L521 HydrophobicContact CG-CD2 4.38Å; L487-V524 HydrophobicContact CD1-CB 4.07Å; L487-V524 HydrophobicContact CD1-CG1 3.53Å; L487-C535 HydrophobicContact CD2-CB 3.68Å; L487-C535 VanDerWaalsContact CD2-SG 3.52Å |
| 488 | A | 87.8 | Confident | 85.8 | Confident | 11 Ų | 11 | 26.2 Ų | 26.2 | 9% | 0.091 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.9 | -41.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G484 V490 F491 L492 A544 V546 | G484-A488 WeakPolarHBondContact O-CB 3.4Å; G484-A488 PolarHBondContact O-N 3.33Å; A488-V490 PolarHBondContact O-N 2.88Å; A488-F491 PolarHBondContact O-N 2.91Å; A488-L492 WeakPolarHBondContact O-CB 3.42Å; A488-L492 PolarHBondContact O-N 2.84Å; A488-A544 HydrophobicContact CB-CB 4.13Å; A488-A544 WeakPolarHBondContact CB-O 3.47Å; A488-V546 HydrophobicContact CB-CB 3.82Å; A488-V546 HydrophobicContact CB-CG2 3.88Å |
| 489 | A | 88.3 | Confident | 85.1 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.5 | -33.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V418 L421 R485 L486 L487 W493 V546 | V418-A489 HydrophobicContact CG2-CB 4.43Å; L421-A489 HydrophobicContact CD1-CB 3.88Å; R485-A489 PolarHBondContact O-N 3.25Å; L486-A489 PolarHBondContact O-N 3.45Å; L487-A489 PolarHBondContact O-N 3.49Å; A489-W493 VanDerWaalsContact O-CB 3.27Å; A489-W493 WeakPolarHBondContact O-CB 3.31Å; A489-W493 PolarHBondContact O-N 3.03Å; A489-W493 VanDerWaalsContact O-N 3.09Å; A489-V546 HydrophobicContact CB-CG1 3.87Å |
| 490 | V | 91.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -72.7 | -42.6 | 174.6 | 168.6 | 0 | 0 | 0 | 0 | 111.8 | L468 L486 L487 A488 W493 F494 V517 W520 L521 | L468-V490 HydrophobicContact CD2-CG2 3.99Å; L486-V490 WeakPolarHBondContact O-CG2 3.42Å; L486-V490 PolarHBondContact O-N 3.43Å; L487-V490 CarbonylContact O-C 3.53Å; L487-V490 WeakPolarHBondContact O-CA 3.5Å; L487-V490 WeakPolarHBondContact O-CB 3.12Å; L487-V490 PolarHBondContact O-N 3.35Å; L487-V490 VanDerWaalsContact O-N 3.07Å; A488-V490 PolarHBondContact O-N 2.88Å; V490-W493 CarbonylContact O-C 3.49Å; V490-W493 WeakPolarHBondContact O-CA 3.42Å; V490-W493 WeakPolarHBondContact O-CB 3.44Å; V490-W493 PolarHBondContact O-N 2.77Å; V490-W493 VanDerWaalsContact O-N 3.11Å; V490-F494 HydrophobicContact CG1-CD2 3.88Å; V490-F494 HydrophobicContact CG1-CE2 3.92Å; V490-F494 WeakPolarHBondContact O-CD2 3.44Å; V490-F494 PolarHBondContact O-N 2.9Å; V490-V517 HydrophobicContact CG1-CG1 3.59Å; V490-W520 HydrophobicContact CG2-CZ3 4.41Å; V490-L521 HydrophobicContact CG1-CD1 4.12Å; V490-L521 HydrophobicContact CG1-CD2 4.03Å; V490-L521 HydrophobicContact CG1-CG 4.26Å |
| 491 | F | 89.8 | Confident | 83.6 | Confident | 6 Ų | 6 | 28.5 Ų | 28.5 | 3% | 0.026 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62 | -44.7 | 176.7 | -74.1 | -3.6 | 0 | 0 | 0 | 112.3 | L487 A488 W493 F494 D495 L521 F532 C535 L536 L570 | L487-F491 HydrophobicContact CD2-CD2 4.2Å; L487-F491 HydrophobicContact CD2-CE1 4.03Å; L487-F491 HydrophobicContact CD2-CE2 3.57Å; L487-F491 HydrophobicContact CD2-CZ 3.48Å; L487-F491 VanDerWaalsContact CD2-CZ 3.48Å; L487-F491 HydrophobicContact CG-CE1 4.07Å; L487-F491 HydrophobicContact CG-CE2 4.41Å; L487-F491 HydrophobicContact CG-CZ 4.02Å; L487-F491 PolarHBondContact O-N 3.48Å; A488-F491 PolarHBondContact O-N 2.91Å; F491-W493 VanDerWaalsContact C-N 3.28Å; F491-W493 PolarHBondContact O-N 3.35Å; F491-F494 WeakPolarHBondContact O-CB 3.45Å; F491-F494 PolarHBondContact O-N 2.93Å; F491-D495 PolarHBondContact O-N 3.04Å; F491-L521 HydrophobicContact CE1-CD2 4.15Å; F491-F532 HydrophobicContact CE1-CD2 4.43Å; F491-F532 HydrophobicContact CE1-CE2 4.15Å; F491-F532 AromaticContact CZ-CD2 3.7Å; F491-F532 HydrophobicContact CZ-CD2 3.7Å; F491-F532 AromaticContact CZ-CE2 3.6Å; F491-F532 HydrophobicContact CZ-CE2 3.6Å; F491-F532 HydrophobicContact CZ-CZ 4.47Å; F491-C535 HydrophobicContact CD2-CB 4.06Å; F491-C535 HydrophobicContact CE2-CB 3.64Å; F491-L536 HydrophobicContact CD2-CD2 4.48Å; F491-L536 HydrophobicContact CE2-CD2 3.95Å; F491-L536 HydrophobicContact CE2-CG 4.29Å; F491-L570 HydrophobicContact CD1-CD2 4.43Å; F491-L570 HydrophobicContact CE1-CD1 4.39Å; F491-L570 HydrophobicContact CE1-CD2 4.4Å; F491-L570 HydrophobicContact CZ-CD1 4.39Å |
| 492 | L | 86.4 | Confident | 82.6 | Confident | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.9 | -44.3 | 169.9 | 172.6 | 61.9 | 0 | 0 | 0 | 112 | K422 A488 F494 D495 T496 | K422-L492 HydrophobicContact CG-CD2 4.3Å; A488-L492 WeakPolarHBondContact O-CB 3.42Å; A488-L492 PolarHBondContact O-N 2.84Å; L492-F494 VanDerWaalsContact C-N 3.29Å; L492-F494 PolarHBondContact O-N 3.39Å; L492-D495 PolarHBondContact O-N 3.19Å; L492-T496 HydrophobicContact CD1-CG2 3.54Å; L492-T496 HydrophobicContact CG-CG2 4.15Å; L492-T496 WeakPolarHBondContact O-CB 3.37Å; L492-T496 VanDerWaalsContact O-CG2 3.3Å; L492-T496 WeakPolarHBondContact O-CG2 3.19Å; L492-T496 PolarHBondContact O-N 2.94Å; L492-T496 PolarHBondContact O-OG1 2.75Å |
| 493 | W | 89.2 | Confident | 81.9 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.9 | -34.4 | 179 | -177.8 | 78.6 | 0 | 0 | 0 | 111.3 | S461 I465 A489 V490 F491 T496 T497 I509 V512 K513 V517 | S461-W493 PolarHBondContact OG-NE1 3.06Å; I465-W493 HydrophobicContact CD1-CD2 4.32Å; I465-W493 HydrophobicContact CD1-CE3 4.21Å; I465-W493 HydrophobicContact CD1-CH2 4.37Å; I465-W493 HydrophobicContact CD1-CZ2 4.48Å; I465-W493 HydrophobicContact CD1-CZ3 4.23Å; I465-W493 HydrophobicContact CG1-CH2 4.19Å; I465-W493 HydrophobicContact CG1-CZ2 4.02Å; A489-W493 VanDerWaalsContact O-CB 3.27Å; A489-W493 WeakPolarHBondContact O-CB 3.31Å; A489-W493 PolarHBondContact O-N 3.03Å; A489-W493 VanDerWaalsContact O-N 3.09Å; V490-W493 CarbonylContact O-C 3.49Å; V490-W493 WeakPolarHBondContact O-CA 3.42Å; V490-W493 WeakPolarHBondContact O-CB 3.44Å; V490-W493 PolarHBondContact O-N 2.77Å; V490-W493 VanDerWaalsContact O-N 3.11Å; F491-W493 VanDerWaalsContact C-N 3.28Å; F491-W493 PolarHBondContact O-N 3.35Å; W493-T496 PolarHBondContact O-OG1 2.86Å; W493-T497 HydrophobicContact CD2-CG2 4.23Å; W493-T497 HydrophobicContact CG-CG2 4.26Å; W493-T497 HydrophobicContact CZ2-CG2 4.49Å; W493-T497 VanDerWaalsContact O-CB 3.23Å; W493-T497 WeakPolarHBondContact O-CB 3.44Å; W493-T497 WeakPolarHBondContact O-CG2 3.49Å; W493-T497 PolarHBondContact O-N 3.34Å; W493-T497 PolarHBondContact O-OG1 2.88Å; W493-I509 HydrophobicContact CH2-CG2 4.09Å; W493-I509 HydrophobicContact CZ2-CG2 3.73Å; W493-V512 HydrophobicContact CH2-CG1 4.14Å; W493-K513 HydrophobicContact CE3-CG 4.47Å; W493-K513 HydrophobicContact CH2-CG 3.63Å; W493-K513 HydrophobicContact CZ3-CD 4.42Å; W493-K513 HydrophobicContact CZ3-CG 3.43Å; W493-K513 VanDerWaalsContact CZ3-CG 3.43Å; W493-V517 HydrophobicContact CH2-CG2 4.26Å; W493-V517 HydrophobicContact CZ3-CB 4.5Å; W493-V517 HydrophobicContact CZ3-CG2 3.85Å |
| 494 | F | 86.5 | Confident | 81 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 1% | 0.013 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.8 | -51 | 171.3 | -96.2 | -90 | 0 | 0 | 0 | 112.8 | V490 F491 L492 T497 A498 K513 V517 L521 Y573 | V490-F494 HydrophobicContact CG1-CD2 3.88Å; V490-F494 HydrophobicContact CG1-CE2 3.92Å; V490-F494 WeakPolarHBondContact O-CD2 3.44Å; V490-F494 PolarHBondContact O-N 2.9Å; F491-F494 WeakPolarHBondContact O-CB 3.45Å; F491-F494 PolarHBondContact O-N 2.93Å; L492-F494 VanDerWaalsContact C-N 3.29Å; L492-F494 PolarHBondContact O-N 3.39Å; F494-T497 PolarHBondContact O-N 3.31Å; F494-T497 PolarHBondContact O-OG1 3.41Å; F494-A498 WeakPolarHBondContact O-CB 3.2Å; F494-A498 PolarHBondContact O-N 2.84Å; F494-K513 HydrophobicContact CD1-CD 4.26Å; F494-K513 HydrophobicContact CE1-CD 3.87Å; F494-K513 HydrophobicContact CE1-CG 4.1Å; F494-K513 HydrophobicContact CZ-CB 4.35Å; F494-K513 HydrophobicContact CZ-CD 4.3Å; F494-K513 HydrophobicContact CZ-CG 4.01Å; F494-V517 HydrophobicContact CE2-CG1 3.8Å; F494-V517 HydrophobicContact CZ-CG1 4.46Å; F494-L521 HydrophobicContact CE2-CD1 3.73Å; F494-L521 HydrophobicContact CZ-CD1 4.21Å; F494-Y573 HydrophobicContact CD1-CD2 4.31Å; F494-Y573 AromaticContact CD1-CE2 3.83Å; F494-Y573 HydrophobicContact CD1-CE2 3.83Å; F494-Y573 HydrophobicContact CE1-CD1 4.23Å; F494-Y573 HydrophobicContact CE1-CD2 4.14Å; F494-Y573 AromaticContact CE1-CE1 3.9Å; F494-Y573 HydrophobicContact CE1-CE1 3.9Å; F494-Y573 AromaticContact CE1-CE2 3.82Å; F494-Y573 HydrophobicContact CE1-CE2 3.82Å; F494-Y573 HydrophobicContact CE1-CG 4.34Å; F494-Y573 AromaticContact CE1-CZ 3.69Å |
| 495 | D | 83.2 | Confident | 80.1 | Confident | 22 Ų | 22 | 35.1 Ų | 35.1 | 12% | 0.118 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.9 | -53.5 | 179.1 | 179.2 | 61.8 | 0 | 0 | 0 | 111.3 | F491 L492 T497 A498 K566 | F491-D495 PolarHBondContact O-N 3.04Å; L492-D495 PolarHBondContact O-N 3.19Å; D495-T497 VanDerWaalsContact C-N 3.32Å; D495-T497 PolarHBondContact O-N 2.98Å; D495-A498 WeakPolarHBondContact O-CB 3.48Å; D495-A498 PolarHBondContact O-N 2.69Å; D495-A498 VanDerWaalsContact O-N 3.12Å; D495-K566 HydrophobicContact CB-CG 3.99Å |
| 496 | T | 78.7 | Confident | 79.3 | Confident | 5 Ų | 5 | 30.3 Ų | 30.3 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.2 | -32.1 | -179.1 | 57.4 | 0 | 0 | 0 | 0 | 113.4 | T424 L428 L492 W493 | T424-T496 PolarHBondContact OG1-OG1 2.91Å; L428-T496 HydrophobicContact CD1-CG2 3.85Å; L492-T496 HydrophobicContact CD1-CG2 3.54Å; L492-T496 HydrophobicContact CG-CG2 4.15Å; L492-T496 WeakPolarHBondContact O-CB 3.37Å; L492-T496 VanDerWaalsContact O-CG2 3.3Å; L492-T496 WeakPolarHBondContact O-CG2 3.19Å; L492-T496 PolarHBondContact O-N 2.94Å; L492-T496 PolarHBondContact O-OG1 2.75Å; W493-T496 PolarHBondContact O-OG1 2.86Å |
| 497 | T | 78.9 | Confident | 78.4 | Confident | 7 Ų | 7 | 33.1 Ų | 33.1 | 4% | 0.043 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -82.1 | -16.9 | 176.5 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | T424 W493 F494 D495 L499 L500 I509 K513 | T424-T497 HydrophobicContact CG2-CG2 4.02Å; W493-T497 HydrophobicContact CD2-CG2 4.23Å; W493-T497 HydrophobicContact CG-CG2 4.26Å; W493-T497 HydrophobicContact CZ2-CG2 4.49Å; W493-T497 VanDerWaalsContact O-CB 3.23Å; W493-T497 WeakPolarHBondContact O-CB 3.44Å; W493-T497 WeakPolarHBondContact O-CG2 3.49Å; W493-T497 PolarHBondContact O-N 3.34Å; W493-T497 PolarHBondContact O-OG1 2.88Å; F494-T497 PolarHBondContact O-N 3.31Å; F494-T497 PolarHBondContact O-OG1 3.41Å; D495-T497 VanDerWaalsContact C-N 3.32Å; D495-T497 PolarHBondContact O-N 2.98Å; T497-L499 PolarHBondContact O-N 3.14Å; T497-L500 HydrophobicContact CG2-CD1 3.85Å; T497-L500 PolarHBondContact O-N 3.09Å; T497-I509 HydrophobicContact CG2-CG2 3.9Å; T497-K513 WeakPolarHBondContact OG1-CE 3.25Å; T497-K513 PolarHBondContact OG1-NZ 3.39Å |
| 498 | A | 71.5 | Confident | 77.3 | Confident | 63 Ų | 63 | 34 Ų | 34 | 52% | 0.521 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -67.1 | -22.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F494 D495 | F494-A498 WeakPolarHBondContact O-CB 3.2Å; F494-A498 PolarHBondContact O-N 2.84Å; D495-A498 WeakPolarHBondContact O-CB 3.48Å; D495-A498 PolarHBondContact O-N 2.69Å; D495-A498 VanDerWaalsContact O-N 3.12Å |
| 499 | L | 67.8 | Low | 76.8 | Confident | 122 Ų | 122 | 33.6 Ų | 33.6 | 64% | 0.639 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -5.5 | 177.3 | -61.5 | 172.8 | 0 | 0 | 0 | 113.6 | L428 T497 | L428-L499 HydrophobicContact CD1-CB 4.3Å; L428-L499 HydrophobicContact CD1-CD1 3.91Å; L428-L499 HydrophobicContact CD2-CB 4Å; T497-L499 PolarHBondContact O-N 3.14Å |
| 500 | L | 68.4 | Low | 76.5 | Confident | 23 Ų | 23 | 37.2 Ų | 37.2 | 12% | 0.12 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -79.8 | 152.9 | -176.7 | -73 | 177.9 | 0 | 0 | 0 | 113.2 | T424 R458 T497 I509 | T424-L500 HydrophobicContact CG2-CD1 4.28Å; R458-L500 HydrophobicContact CG-CD1 4.41Å; T497-L500 HydrophobicContact CG2-CD1 3.85Å; T497-L500 PolarHBondContact O-N 3.09Å; L500-I509 HydrophobicContact CD1-CD1 4.27Å |
| 501 | P | 65.6 | Low | 75.8 | Confident | 56 Ų | 56 | 42 Ų | 42 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | trans | -62.6 | 140.1 | 174.9 | -17 | 28.6 | 0 | 0 | 0 | 112.8 | D503 | P501-D503 PolarHBondContact O-N 3.27Š| ||
| 502 | S | 63.5 | Low | 75.2 | Confident | 126 Ų | 126 | 42 Ų | 42 | 88% | 0.881 | 26% | 0.261 | S | S | * | . | trans | -79.5 | 48.1 | 175.7 | 46.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 503 | D | 73.5 | Confident | 75.1 | Confident | 55 Ų | 55 | 41.9 Ų | 41.9 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -80.8 | -173.1 | 172.7 | 61.6 | 42.3 | 0 | 0 | 0 | 112.2 | R458 P501 I505 G506 A507 | R458-D503 IonicContact CZ-OD2 2.69Å; R458-D503 IonicContact NH1-OD1 2.84Å; R458-D503 IonicContact NH1-OD2 3.75Å; R458-D503 PolarHBondContact NH1-OD2 2.9Å; P501-D503 PolarHBondContact O-N 3.27Å; D503-I505 PolarHBondContact O-N 3.07Å; D503-I505 WeakPolarHBondContact OD1-CA 3.23Å; D503-I505 VanDerWaalsContact OD1-CB 3.31Å; D503-I505 WeakPolarHBondContact OD1-CB 3.38Å; D503-I505 PolarHBondContact OD1-N 3.42Å; D503-G506 PolarHBondContact O-N 2.81Å; D503-G506 PolarHBondContact OD1-N 3.16Å; D503-A507 WeakPolarHBondContact O-CB 3.3Å; D503-A507 PolarHBondContact O-N 2.74Å |
| 504 | S | 71.1 | Confident | 74.4 | Confident | 105 Ų | 105 | 45.5 Ų | 45.5 | 73% | 0.734 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63.4 | -23.2 | -179.9 | 70.4 | 0 | 0 | 0 | 0 | 114.2 | S508 | S504-S508 PolarHBondContact O-N 3.26Å |
| 505 | I | 68.8 | Low | 73.9 | Confident | 14 Ų | 14 | 50.5 Ų | 50.5 | 7% | 0.072 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -82.3 | -44.8 | 175.3 | -59 | 172 | 0 | 0 | 0 | 109 | D455 R458 D503 A507 S508 I509 | D455-I505 HydrophobicContact CB-CD1 3.55Å; D455-I505 WeakPolarHBondContact OD1-CD1 3.36Å; R458-I505 HydrophobicContact CB-CG2 3.72Å; D503-I505 PolarHBondContact O-N 3.07Å; D503-I505 WeakPolarHBondContact OD1-CA 3.23Å; D503-I505 VanDerWaalsContact OD1-CB 3.31Å; D503-I505 WeakPolarHBondContact OD1-CB 3.38Å; D503-I505 PolarHBondContact OD1-N 3.42Å; I505-A507 VanDerWaalsContact C-N 3.35Å; I505-A507 PolarHBondContact O-N 2.73Å; I505-S508 CarbonylContact O-C 3.58Å; I505-S508 WeakPolarHBondContact O-CA 3.38Å; I505-S508 WeakPolarHBondContact O-CB 3.49Å; I505-S508 PolarHBondContact O-N 2.96Å; I505-S508 PolarHBondContact O-OG 2.69Å; I505-I509 HydrophobicContact CG2-CD1 4.25Å; I505-I509 WeakPolarHBondContact O-CG1 3.46Å; I505-I509 PolarHBondContact O-N 3.24Å |
| 506 | G | 72.2 | Confident | 73.6 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -55.2 | -45.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D503 S508 I509 E510 | D503-G506 PolarHBondContact O-N 2.81Å; D503-G506 PolarHBondContact OD1-N 3.16Å; G506-S508 VanDerWaalsContact C-N 3.28Å; G506-S508 PolarHBondContact O-N 3.28Å; G506-I509 WeakPolarHBondContact O-CA 3.35Å; G506-I509 WeakPolarHBondContact O-CB 3.31Å; G506-I509 PolarHBondContact O-N 3.25Å; G506-E510 PolarHBondContact O-N 3.4Å |
| 507 | A | 72.2 | Confident | 74 | Confident | 61 Ų | 61 | 52.6 Ų | 52.6 | 50% | 0.504 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.6 | -38.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D503 I505 I509 E510 E511 | D503-A507 WeakPolarHBondContact O-CB 3.3Å; D503-A507 PolarHBondContact O-N 2.74Å; I505-A507 VanDerWaalsContact C-N 3.35Å; I505-A507 PolarHBondContact O-N 2.73Å; A507-I509 VanDerWaalsContact C-N 3.3Å; A507-I509 PolarHBondContact O-N 3.25Å; A507-E510 PolarHBondContact O-N 3.39Å; A507-E511 WeakPolarHBondContact O-CB 3.4Å; A507-E511 PolarHBondContact O-N 3.05Å |
| 508 | S | 69.2 | Low | 74.1 | Confident | 18 Ų | 18 | 53.7 Ų | 53.7 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -74.9 | -16 | 175.7 | 84.3 | 0 | 0 | 0 | 0 | 114.3 | S504 I505 G506 V512 | S504-S508 PolarHBondContact O-N 3.26Å; I505-S508 CarbonylContact O-C 3.58Å; I505-S508 WeakPolarHBondContact O-CA 3.38Å; I505-S508 WeakPolarHBondContact O-CB 3.49Å; I505-S508 PolarHBondContact O-N 2.96Å; I505-S508 PolarHBondContact O-OG 2.69Å; G506-S508 VanDerWaalsContact C-N 3.28Å; G506-S508 PolarHBondContact O-N 3.28Å; S508-V512 VanDerWaalsContact O-CG2 3.26Å; S508-V512 WeakPolarHBondContact O-CG2 3.38Å; S508-V512 PolarHBondContact O-N 3.03Å |
| 509 | I | 77.5 | Confident | 74.6 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -81.7 | -43.3 | 171.9 | -75 | 167.8 | 0 | 0 | 0 | 109.7 | R458 W493 T497 L500 I505 G506 A507 V512 K513 | R458-I509 HydrophobicContact CB-CD1 4.41Å; W493-I509 HydrophobicContact CH2-CG2 4.09Å; W493-I509 HydrophobicContact CZ2-CG2 3.73Å; T497-I509 HydrophobicContact CG2-CG2 3.9Å; L500-I509 HydrophobicContact CD1-CD1 4.27Å; I505-I509 HydrophobicContact CG2-CD1 4.25Å; I505-I509 WeakPolarHBondContact O-CG1 3.46Å; I505-I509 PolarHBondContact O-N 3.24Å; G506-I509 WeakPolarHBondContact O-CA 3.35Å; G506-I509 WeakPolarHBondContact O-CB 3.31Å; G506-I509 PolarHBondContact O-N 3.25Å; A507-I509 VanDerWaalsContact C-N 3.3Å; A507-I509 PolarHBondContact O-N 3.25Å; I509-V512 CarbonylContact O-C 3.53Å; I509-V512 WeakPolarHBondContact O-CA 3.44Å; I509-V512 WeakPolarHBondContact O-CB 3.49Å; I509-V512 PolarHBondContact O-N 3.35Å; I509-V512 VanDerWaalsContact O-N 3.07Å; I509-K513 PolarHBondContact O-N 2.89Å |
| 510 | E | 80.2 | Confident | 75.7 | Confident | 76 Ų | 76 | 49 Ų | 49 | 36% | 0.355 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 174.2 | -69.2 | -55.8 | 139.1 | 0 | 0 | 112.8 | G506 A507 V512 K513 S514 | G506-E510 PolarHBondContact O-N 3.4Å; A507-E510 PolarHBondContact O-N 3.39Å; E510-V512 VanDerWaalsContact C-N 3.26Å; E510-V512 PolarHBondContact O-N 3.37Å; E510-K513 PolarHBondContact O-N 3.34Å; E510-K513 WeakPolarHBondContact OE1-CD 3.44Å; E510-K513 WeakPolarHBondContact OE1-CE 3.3Å; E510-K513 IonicContact OE1-NZ 3.7Å; E510-K513 PolarHBondContact OE1-NZ 2.97Å; E510-K513 WeakPolarHBondContact OE2-CD 3.44Å; E510-S514 WeakPolarHBondContact O-CB 3.47Å; E510-S514 PolarHBondContact O-N 2.94Å; E510-S514 PolarHBondContact O-OG 2.93Å |
| 511 | E | 77.3 | Confident | 76.8 | Confident | 101 Ų | 101 | 48 Ų | 48 | 47% | 0.472 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -54.7 | -44.1 | 167.3 | -175.7 | -178.6 | -133.3 | 0 | 0 | 110.7 | R462 A507 S514 E515 | R462-E511 IonicContact NH2-OE2 2.69Å; A507-E511 WeakPolarHBondContact O-CB 3.4Å; A507-E511 PolarHBondContact O-N 3.05Å; E511-S514 PolarHBondContact O-N 3.18Å; E511-S514 PolarHBondContact O-OG 2.59Å; E511-S514 VanDerWaalsContact O-OG 3.14Å; E511-E515 WeakPolarHBondContact O-CB 3.48Å; E511-E515 PolarHBondContact O-N 3.2Å |
| 512 | V | 77.3 | Confident | 77.8 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.2 | -37.3 | 179.7 | 167.9 | 0 | 0 | 0 | 0 | 113.1 | R462 I465 W493 S508 I509 E510 S514 F516 V517 | R462-V512 HydrophobicContact CG-CG2 4.32Å; I465-V512 HydrophobicContact CB-CG1 4.14Å; I465-V512 HydrophobicContact CG1-CG1 4.31Å; I465-V512 HydrophobicContact CG2-CG1 3.56Å; W493-V512 HydrophobicContact CH2-CG1 4.14Å; S508-V512 VanDerWaalsContact O-CG2 3.26Å; S508-V512 WeakPolarHBondContact O-CG2 3.38Å; S508-V512 PolarHBondContact O-N 3.03Å; I509-V512 CarbonylContact O-C 3.53Å; I509-V512 WeakPolarHBondContact O-CA 3.44Å; I509-V512 WeakPolarHBondContact O-CB 3.49Å; I509-V512 PolarHBondContact O-N 3.35Å; I509-V512 VanDerWaalsContact O-N 3.07Å; E510-V512 VanDerWaalsContact C-N 3.26Å; E510-V512 PolarHBondContact O-N 3.37Å; V512-S514 VanDerWaalsContact C-N 3.35Å; V512-F516 HydrophobicContact CB-CD2 4.42Å; V512-F516 HydrophobicContact CG1-CD2 4.3Å; V512-F516 HydrophobicContact CG2-CD2 4.23Å; V512-F516 HydrophobicContact CG2-CE2 4.48Å; V512-F516 PolarHBondContact O-N 3.32Å; V512-F516 VanDerWaalsContact O-N 3.07Å; V512-V517 HydrophobicContact CG1-CG2 4.22Å; V512-V517 PolarHBondContact O-N 2.72Å; V512-V517 VanDerWaalsContact O-N 3.1Å |
| 513 | K | 83.9 | Confident | 78.9 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -58.6 | -46 | 172.9 | -80.4 | 175.1 | 178.7 | 174.5 | 0 | 111.9 | W493 F494 T497 I509 E510 N518 | W493-K513 HydrophobicContact CE3-CG 4.47Å; W493-K513 HydrophobicContact CH2-CG 3.63Å; W493-K513 HydrophobicContact CZ3-CD 4.42Å; W493-K513 HydrophobicContact CZ3-CG 3.43Å; W493-K513 VanDerWaalsContact CZ3-CG 3.43Å; F494-K513 HydrophobicContact CD1-CD 4.26Å; F494-K513 HydrophobicContact CE1-CD 3.87Å; F494-K513 HydrophobicContact CE1-CG 4.1Å; F494-K513 HydrophobicContact CZ-CB 4.35Å; F494-K513 HydrophobicContact CZ-CD 4.3Å; F494-K513 HydrophobicContact CZ-CG 4.01Å; T497-K513 WeakPolarHBondContact OG1-CE 3.25Å; T497-K513 PolarHBondContact OG1-NZ 3.39Å; I509-K513 PolarHBondContact O-N 2.89Å; E510-K513 PolarHBondContact O-N 3.34Å; E510-K513 WeakPolarHBondContact OE1-CD 3.44Å; E510-K513 WeakPolarHBondContact OE1-CE 3.3Å; E510-K513 IonicContact OE1-NZ 3.7Å; E510-K513 PolarHBondContact OE1-NZ 2.97Å; E510-K513 WeakPolarHBondContact OE2-CD 3.44Å; K513-N518 WeakPolarHBondContact O-CB 3.47Å; K513-N518 PolarHBondContact O-N 2.98Å; K513-N518 PolarHBondContact O-ND2 3.04Å |
| 514 | S | 75.9 | Confident | 79.6 | Confident | 76 Ų | 76 | 46.9 Ų | 46.9 | 53% | 0.531 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -78.6 | -45.3 | -176.1 | 53.1 | 0 | 0 | 0 | 0 | 112.9 | E510 E511 V512 | E510-S514 WeakPolarHBondContact O-CB 3.47Å; E510-S514 PolarHBondContact O-N 2.94Å; E510-S514 PolarHBondContact O-OG 2.93Å; E511-S514 PolarHBondContact O-N 3.18Å; E511-S514 PolarHBondContact O-OG 2.59Å; E511-S514 VanDerWaalsContact O-OG 3.14Å; V512-S514 VanDerWaalsContact C-N 3.35Å |
| 515 | E | 75 | Confident | 80.3 | Confident | 108 Ų | 108 | 44.1 Ų | 44.1 | 51% | 0.505 | 23% | 0.231 | S | C | . | . | I | π-helix | trans | -75.3 | -42.3 | -176.7 | -169.6 | -177.7 | -173.4 | 0 | 0 | 113.1 | E511 | E511-E515 WeakPolarHBondContact O-CB 3.48Å; E511-E515 PolarHBondContact O-N 3.2Å |
| 516 | F | 77.7 | Confident | 81.2 | Confident | 71 Ų | 71 | 49.2 Ų | 49.2 | 31% | 0.311 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -112.3 | -54.8 | -172.1 | -56.1 | -72.4 | 0 | 0 | 0 | 113.2 | V469 V512 N518 T519 W520 | V469-F516 HydrophobicContact CG2-CB 4.33Å; V512-F516 HydrophobicContact CB-CD2 4.42Å; V512-F516 HydrophobicContact CG1-CD2 4.3Å; V512-F516 HydrophobicContact CG2-CD2 4.23Å; V512-F516 HydrophobicContact CG2-CE2 4.48Å; V512-F516 PolarHBondContact O-N 3.32Å; V512-F516 VanDerWaalsContact O-N 3.07Å; F516-N518 PolarHBondContact O-N 3.18Å; F516-T519 PolarHBondContact O-N 3.48Å; F516-T519 PolarHBondContact O-OG1 3.47Å; F516-W520 PolarHBondContact O-N 3.42Å |
| 517 | V | 85.7 | Confident | 81.9 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -70.1 | -38 | -166.9 | -173 | 0 | 0 | 0 | 0 | 112.4 | I465 V490 W493 F494 V512 T519 W520 L521 | I465-V517 HydrophobicContact CD1-CG2 3.95Å; I465-V517 HydrophobicContact CG2-CG2 3.93Å; V490-V517 HydrophobicContact CG1-CG1 3.59Å; W493-V517 HydrophobicContact CH2-CG2 4.26Å; W493-V517 HydrophobicContact CZ3-CB 4.5Å; W493-V517 HydrophobicContact CZ3-CG2 3.85Å; F494-V517 HydrophobicContact CE2-CG1 3.8Å; F494-V517 HydrophobicContact CZ-CG1 4.46Å; V512-V517 HydrophobicContact CG1-CG2 4.22Å; V512-V517 PolarHBondContact O-N 2.72Å; V512-V517 VanDerWaalsContact O-N 3.1Å; V517-T519 VanDerWaalsContact C-N 3.26Å; V517-T519 PolarHBondContact O-N 3.06Å; V517-W520 WeakPolarHBondContact O-CB 3.29Å; V517-W520 PolarHBondContact O-N 3.17Å; V517-W520 VanDerWaalsContact O-N 3.11Å; V517-L521 HydrophobicContact CG1-CD1 4.12Å; V517-L521 HydrophobicContact CG1-CG 4.22Å; V517-L521 PolarHBondContact O-N 3.48Å |
| 518 | N | 82.4 | Confident | 82.7 | Confident | 30 Ų | 30 | 51.8 Ų | 51.8 | 16% | 0.16 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.4 | -37.1 | 173.5 | -106.2 | -63.5 | 0 | 0 | 0 | 112.8 | K513 F516 R522 | K513-N518 WeakPolarHBondContact O-CB 3.47Å; K513-N518 PolarHBondContact O-N 2.98Å; K513-N518 PolarHBondContact O-ND2 3.04Å; F516-N518 PolarHBondContact O-N 3.18Å; N518-R522 WeakPolarHBondContact O-CG 3.39Å; N518-R522 PolarHBondContact O-N 3.15Å; N518-R522 VanDerWaalsContact O-N 3.15Å |
| 519 | T | 82.1 | Confident | 83.6 | Confident | 76 Ų | 76 | 55.8 Ų | 55.8 | 47% | 0.466 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70.2 | -35.8 | 176.4 | 72.2 | 0 | 0 | 0 | 0 | 112.1 | F516 V517 Q523 | F516-T519 PolarHBondContact O-N 3.48Å; F516-T519 PolarHBondContact O-OG1 3.47Å; V517-T519 VanDerWaalsContact C-N 3.26Å; V517-T519 PolarHBondContact O-N 3.06Å; T519-Q523 WeakPolarHBondContact O-CG 3.44Å; T519-Q523 PolarHBondContact O-N 2.92Å |
| 520 | W | 91.4 | Very high | 84.1 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 4% | 0.038 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.4 | -47.5 | 176.4 | -170.7 | 95.5 | 0 | 0 | 0 | 111.4 | L468 L486 L487 V490 F516 V517 R522 Q523 V524 | L468-W520 HydrophobicContact CD1-CZ2 4.01Å; L486-W520 HydrophobicContact CB-CH2 3.94Å; L486-W520 HydrophobicContact CB-CZ2 4.09Å; L487-W520 HydrophobicContact CB-CH2 4.45Å; L487-W520 HydrophobicContact CB-CZ3 4.43Å; L487-W520 HydrophobicContact CD1-CZ3 4.24Å; V490-W520 HydrophobicContact CG2-CZ3 4.41Å; F516-W520 PolarHBondContact O-N 3.42Å; V517-W520 WeakPolarHBondContact O-CB 3.29Å; V517-W520 PolarHBondContact O-N 3.17Å; V517-W520 VanDerWaalsContact O-N 3.11Å; W520-R522 PolarHBondContact O-N 2.96Å; W520-Q523 WeakPolarHBondContact O-CB 3.26Å; W520-Q523 PolarHBondContact O-N 3.45Å; W520-V524 HydrophobicContact CD2-CG2 4.23Å; W520-V524 HydrophobicContact CE3-CG2 3.95Å; W520-V524 HydrophobicContact CH2-CG2 3.89Å; W520-V524 HydrophobicContact CZ2-CG2 4.18Å; W520-V524 HydrophobicContact CZ3-CG2 3.79Å; W520-V524 WeakPolarHBondContact O-CG2 3.48Å; W520-V524 PolarHBondContact O-N 3.12Å |
| 521 | L | 90.4 | Very high | 84.5 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 178.7 | -76 | 174.7 | 0 | 0 | 0 | 112.6 | L487 V490 F491 F494 V517 V524 I525 | L487-L521 HydrophobicContact CD1-CD2 3.81Å; L487-L521 HydrophobicContact CG-CD2 4.38Å; V490-L521 HydrophobicContact CG1-CD1 4.12Å; V490-L521 HydrophobicContact CG1-CD2 4.03Å; V490-L521 HydrophobicContact CG1-CG 4.26Å; F491-L521 HydrophobicContact CE1-CD2 4.15Å; F494-L521 HydrophobicContact CE2-CD1 3.73Å; F494-L521 HydrophobicContact CZ-CD1 4.21Å; V517-L521 HydrophobicContact CG1-CD1 4.12Å; V517-L521 HydrophobicContact CG1-CG 4.22Å; V517-L521 PolarHBondContact O-N 3.48Å; L521-V524 PolarHBondContact O-N 3.31Å; L521-V524 VanDerWaalsContact O-N 3.14Å; L521-I525 WeakPolarHBondContact O-CG1 3.3Å; L521-I525 PolarHBondContact O-N 3.42Å |
| 522 | R | 86.8 | Confident | 85.2 | Confident | 133 Ų | 133 | 53.5 Ų | 53.5 | 50% | 0.502 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 175.3 | -71.9 | 177 | -175.2 | -84.3 | -5.4 | 112 | N518 W520 V524 I525 D526 | N518-R522 WeakPolarHBondContact O-CG 3.39Å; N518-R522 PolarHBondContact O-N 3.15Å; N518-R522 VanDerWaalsContact O-N 3.15Å; W520-R522 PolarHBondContact O-N 2.96Å; R522-V524 VanDerWaalsContact C-N 3.25Å; R522-V524 PolarHBondContact O-N 3.45Å; R522-I525 PolarHBondContact O-N 3.29Å; R522-D526 WeakPolarHBondContact O-CB 3.31Å; R522-D526 VanDerWaalsContact O-CG 3.24Å; R522-D526 PolarHBondContact O-N 3.43Å |
| 523 | Q | 86.2 | Confident | 85.6 | Confident | 80 Ų | 80 | 54.4 Ų | 54.4 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.9 | -31.6 | 172 | -71.9 | 170.4 | 1.8 | 0 | 0 | 112.9 | P474 T519 W520 Y527 | P474-Q523 HydrophobicContact CG-CB 3.84Å; P474-Q523 VanDerWaalsContact CG-OE1 3.29Å; T519-Q523 WeakPolarHBondContact O-CG 3.44Å; T519-Q523 PolarHBondContact O-N 2.92Å; W520-Q523 WeakPolarHBondContact O-CB 3.26Å; W520-Q523 PolarHBondContact O-N 3.45Å; Q523-Y527 WeakPolarHBondContact O-CB 3.45Å; Q523-Y527 WeakPolarHBondContact O-CD2 3.26Å; Q523-Y527 PolarHBondContact O-N 3.42Å |
| 524 | V | 88.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -76.3 | -38.6 | 175 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | P474 I483 L487 W520 L521 R522 D526 Y527 H528 | P474-V524 HydrophobicContact CB-CG2 4.19Å; I483-V524 HydrophobicContact CG2-CG1 3.63Å; I483-V524 HydrophobicContact CG2-CG2 4.01Å; L487-V524 HydrophobicContact CD1-CB 4.07Å; L487-V524 HydrophobicContact CD1-CG1 3.53Å; W520-V524 HydrophobicContact CD2-CG2 4.23Å; W520-V524 HydrophobicContact CE3-CG2 3.95Å; W520-V524 HydrophobicContact CH2-CG2 3.89Å; W520-V524 HydrophobicContact CZ2-CG2 4.18Å; W520-V524 HydrophobicContact CZ3-CG2 3.79Å; W520-V524 WeakPolarHBondContact O-CG2 3.48Å; W520-V524 PolarHBondContact O-N 3.12Å; L521-V524 PolarHBondContact O-N 3.31Å; L521-V524 VanDerWaalsContact O-N 3.14Å; R522-V524 VanDerWaalsContact C-N 3.25Å; R522-V524 PolarHBondContact O-N 3.45Å; V524-D526 VanDerWaalsContact C-N 3.31Å; V524-D526 PolarHBondContact O-N 3.49Å; V524-Y527 PolarHBondContact O-N 2.81Å; V524-H528 HydrophobicContact CG1-CB 4.15Å; V524-H528 CarbonylContact O-C 3.6Å; V524-H528 WeakPolarHBondContact O-CA 3.31Å; V524-H528 PolarHBondContact O-N 3.38Å |
| 525 | I | 86.5 | Confident | 86.3 | Confident | 47 Ų | 47 | 55 Ų | 55 | 24% | 0.241 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 171.9 | -69.6 | 166.9 | 0 | 0 | 0 | 110.7 | L521 R522 Y527 Y529 F532 L575 | L521-I525 WeakPolarHBondContact O-CG1 3.3Å; L521-I525 PolarHBondContact O-N 3.42Å; R522-I525 PolarHBondContact O-N 3.29Å; I525-Y527 PolarHBondContact O-N 3.14Å; I525-Y529 HydrophobicContact CG2-CD2 4.17Å; I525-F532 HydrophobicContact CD1-CD2 4.19Å; I525-F532 HydrophobicContact CD1-CE2 3.94Å; I525-F532 HydrophobicContact CD1-CZ 4.34Å; I525-F532 HydrophobicContact CG1-CD2 3.85Å; I525-F532 HydrophobicContact CG1-CE2 4.13Å; I525-F532 HydrophobicContact CG1-CG 4.19Å; I525-L575 HydrophobicContact CD1-CD2 4.16Å |
| 526 | D | 85.9 | Confident | 86.9 | Confident | 122 Ų | 122 | 50.3 Ų | 50.3 | 65% | 0.652 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -67.9 | -29 | 179.2 | -72.7 | -20.3 | 0 | 0 | 0 | 114.1 | R522 V524 | R522-D526 WeakPolarHBondContact O-CB 3.31Å; R522-D526 VanDerWaalsContact O-CG 3.24Å; R522-D526 PolarHBondContact O-N 3.43Å; V524-D526 VanDerWaalsContact C-N 3.31Å; V524-D526 PolarHBondContact O-N 3.49Å |
| 527 | Y | 87 | Confident | 87.2 | Confident | 110 Ų | 110 | 49.5 Ų | 49.5 | 43% | 0.431 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -112 | -22.4 | -174.4 | -61.3 | -26.6 | 0 | 0 | 0 | 114.7 | K476 Q523 V524 I525 | K476-Y527 HydrophobicContact CG-CD1 4.14Å; K476-Y527 HydrophobicContact CG-CD2 4.35Å; K476-Y527 HydrophobicContact CG-CE1 4.43Å; K476-Y527 HydrophobicContact CG-CG 4.13Å; Q523-Y527 WeakPolarHBondContact O-CB 3.45Å; Q523-Y527 WeakPolarHBondContact O-CD2 3.26Å; Q523-Y527 PolarHBondContact O-N 3.42Å; V524-Y527 PolarHBondContact O-N 2.81Å; I525-Y527 PolarHBondContact O-N 3.14Å |
| 528 | H | 89.6 | Confident | 86.8 | Confident | 15 Ų | 15 | 49.7 Ų | 49.7 | 7% | 0.069 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -145 | 45.1 | -170.2 | -49 | -91.8 | 0 | 0 | 0 | 113.1 | D480 I483 V524 E530 V531 F532 | D480-H528 IonicContact OD1-CE1 3.82Å; D480-H528 PolarHBondContact OD1-CE1 2.97Å; D480-H528 VanDerWaalsContact OD1-CE1 3.29Å; D480-H528 IonicContact OD1-CG 3.62Å; D480-H528 IonicContact OD1-ND1 2.73Å; D480-H528 PolarHBondContact OD1-ND1 3.19Å; I483-H528 VanDerWaalsContact CD1-CE1 3.5Å; I483-H528 WeakPolarHBondContact CD1-CE1 3.37Å; I483-H528 WeakPolarHBondContact CD1-NE2 3.46Å; V524-H528 HydrophobicContact CG1-CB 4.15Å; V524-H528 CarbonylContact O-C 3.6Å; V524-H528 WeakPolarHBondContact O-CA 3.31Å; V524-H528 PolarHBondContact O-N 3.38Å; H528-E530 VanDerWaalsContact C-N 3.35Å; H528-E530 PolarHBondContact O-N 2.96Å; H528-V531 HydrophobicContact CB-CB 4.16Å; H528-V531 HydrophobicContact CB-CG2 4.01Å; H528-V531 WeakPolarHBondContact O-CB 3.02Å; H528-V531 PolarHBondContact O-N 2.8Å; H528-F532 PolarHBondContact O-N 2.61Å |
| 529 | Y | 88.9 | Confident | 86.6 | Confident | 102 Ų | 102 | 50.6 Ų | 50.6 | 40% | 0.4 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -55.6 | -37.5 | -175 | -176.4 | -116.2 | 0 | 0 | 0 | 115.7 | I525 V531 F532 L533 | I525-Y529 HydrophobicContact CG2-CD2 4.17Å; Y529-V531 VanDerWaalsContact C-N 3.28Å; Y529-V531 PolarHBondContact O-N 3.38Å; Y529-F532 HydrophobicContact CD2-CD1 4.4Å; Y529-F532 HydrophobicContact CE2-CD1 4.2Å; Y529-F532 WeakPolarHBondContact O-CB 3.3Å; Y529-F532 PolarHBondContact O-N 3.18Å; Y529-F532 VanDerWaalsContact O-N 3.09Å; Y529-L533 HydrophobicContact CD1-CD1 4.25Å; Y529-L533 HydrophobicContact CE1-CD1 3.69Å; Y529-L533 HydrophobicContact CE1-CG 4.07Å; Y529-L533 HydrophobicContact CE2-CG 4.47Å; Y529-L533 PolarHBondContact O-N 2.96Å; Y529-L533 VanDerWaalsContact O-N 3.09Å |
| 530 | E | 88.5 | Confident | 86.6 | Confident | 116 Ų | 116 | 47.3 Ų | 47.3 | 54% | 0.542 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.4 | -31.9 | 177.6 | -65.2 | -59.3 | 150.9 | 0 | 0 | 112.2 | H528 F532 L533 Q534 | H528-E530 VanDerWaalsContact C-N 3.35Å; H528-E530 PolarHBondContact O-N 2.96Å; E530-F532 VanDerWaalsContact C-N 3.29Å; E530-F532 PolarHBondContact O-N 3.5Å; E530-L533 PolarHBondContact O-N 3.17Å; E530-Q534 WeakPolarHBondContact O-CB 3.43Å; E530-Q534 VanDerWaalsContact O-CG 3.28Å; E530-Q534 WeakPolarHBondContact O-CG 3.43Å; E530-Q534 PolarHBondContact O-N 3.45Å |
| 531 | V | 88.3 | Confident | 86.2 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 6% | 0.061 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.7 | -35.4 | 173 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | D480 H528 Y529 C535 Y543 | D480-V531 HydrophobicContact CB-CG2 4.13Å; H528-V531 HydrophobicContact CB-CB 4.16Å; H528-V531 HydrophobicContact CB-CG2 4.01Å; H528-V531 WeakPolarHBondContact O-CB 3.02Å; H528-V531 PolarHBondContact O-N 2.8Å; Y529-V531 VanDerWaalsContact C-N 3.28Å; Y529-V531 PolarHBondContact O-N 3.38Å; V531-C535 PolarHBondContact O-N 3.4Å; V531-C535 PolarHBondContact O-SG 3.38Å; V531-Y543 HydrophobicContact CG1-CE2 3.94Å |
| 532 | F | 90.2 | Very high | 85.6 | Confident | 7 Ų | 7 | 54.9 Ų | 54.9 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.6 | -46 | 174.6 | 175.2 | -87.1 | 0 | 0 | 0 | 112.1 | F491 I525 H528 Y529 E530 C535 L536 L575 | F491-F532 HydrophobicContact CE1-CD2 4.43Å; F491-F532 HydrophobicContact CE1-CE2 4.15Å; F491-F532 AromaticContact CZ-CD2 3.7Å; F491-F532 HydrophobicContact CZ-CD2 3.7Å; F491-F532 AromaticContact CZ-CE2 3.6Å; F491-F532 HydrophobicContact CZ-CE2 3.6Å; F491-F532 HydrophobicContact CZ-CZ 4.47Å; I525-F532 HydrophobicContact CD1-CD2 4.19Å; I525-F532 HydrophobicContact CD1-CE2 3.94Å; I525-F532 HydrophobicContact CD1-CZ 4.34Å; I525-F532 HydrophobicContact CG1-CD2 3.85Å; I525-F532 HydrophobicContact CG1-CE2 4.13Å; I525-F532 HydrophobicContact CG1-CG 4.19Å; H528-F532 PolarHBondContact O-N 2.61Å; Y529-F532 HydrophobicContact CD2-CD1 4.4Å; Y529-F532 HydrophobicContact CE2-CD1 4.2Å; Y529-F532 WeakPolarHBondContact O-CB 3.3Å; Y529-F532 PolarHBondContact O-N 3.18Å; Y529-F532 VanDerWaalsContact O-N 3.09Å; E530-F532 VanDerWaalsContact C-N 3.29Å; E530-F532 PolarHBondContact O-N 3.5Å; F532-C535 PolarHBondContact O-N 3.22Å; F532-L536 HydrophobicContact CD1-CD1 4.17Å; F532-L536 HydrophobicContact CE1-CD1 3.64Å; F532-L536 HydrophobicContact CZ-CD1 4.03Å; F532-L575 HydrophobicContact CZ-CB 4.48Å |
| 533 | L | 87.7 | Confident | 85.4 | Confident | 26 Ų | 26 | 51 Ų | 51 | 14% | 0.136 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 176.6 | -70 | -178.8 | 0 | 0 | 0 | 112.4 | Y529 E530 C535 L536 T580 | Y529-L533 HydrophobicContact CD1-CD1 4.25Å; Y529-L533 HydrophobicContact CE1-CD1 3.69Å; Y529-L533 HydrophobicContact CE1-CG 4.07Å; Y529-L533 HydrophobicContact CE2-CG 4.47Å; Y529-L533 PolarHBondContact O-N 2.96Å; Y529-L533 VanDerWaalsContact O-N 3.09Å; E530-L533 PolarHBondContact O-N 3.17Å; L533-C535 PolarHBondContact O-N 3.45Å; L533-L536 PolarHBondContact O-N 2.98Å; L533-T580 HydrophobicContact CD2-CG2 4.49Å |
| 534 | Q | 86.8 | Confident | 85.2 | Confident | 75 Ų | 75 | 47.4 Ų | 47.4 | 35% | 0.35 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.7 | -27.5 | 176.8 | -75.6 | 176.9 | 16.1 | 0 | 0 | 112.6 | E530 L536 P540 P541 Y543 | E530-Q534 WeakPolarHBondContact O-CB 3.43Å; E530-Q534 VanDerWaalsContact O-CG 3.28Å; E530-Q534 WeakPolarHBondContact O-CG 3.43Å; E530-Q534 PolarHBondContact O-N 3.45Å; Q534-L536 VanDerWaalsContact C-N 3.3Å; Q534-L536 PolarHBondContact O-N 3.03Å; Q534-P540 VanDerWaalsContact O-CA 3.26Å; Q534-P540 WeakPolarHBondContact O-CA 3.23Å; Q534-P540 VanDerWaalsContact O-CB 3.32Å; Q534-P540 WeakPolarHBondContact O-CB 3.29Å; Q534-P541 HydrophobicContact CB-CG 3.99Å; Q534-P541 VanDerWaalsContact O-CD 3.28Å; Q534-P541 WeakPolarHBondContact O-CD 3.27Å; Q534-Y543 PolarHBondContact OE1-OH 2.98Å |
| 535 | C | 87.5 | Confident | 84.9 | Confident | 14 Ų | 14 | 49.7 Ų | 49.7 | 10% | 0.095 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -1.9 | 176.4 | -65.3 | 0 | 0 | 0 | 0 | 114.8 | L487 F491 V531 F532 L533 A544 | L487-C535 HydrophobicContact CD2-CB 3.68Å; L487-C535 VanDerWaalsContact CD2-SG 3.52Å; F491-C535 HydrophobicContact CD2-CB 4.06Å; F491-C535 HydrophobicContact CE2-CB 3.64Å; V531-C535 PolarHBondContact O-N 3.4Å; V531-C535 PolarHBondContact O-SG 3.38Å; F532-C535 PolarHBondContact O-N 3.22Å; L533-C535 PolarHBondContact O-N 3.45Å; C535-A544 WeakPolarHBondContact SG-CB 3.28Å |
| 536 | L | 86 | Confident | 84.4 | Confident | 9 Ų | 9 | 47.8 Ų | 47.8 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -2.1 | -177.9 | -66.7 | 174.4 | 0 | 0 | 0 | 114.4 | F491 F532 L533 Q534 I567 L570 I576 T580 | F491-L536 HydrophobicContact CD2-CD2 4.48Å; F491-L536 HydrophobicContact CE2-CD2 3.95Å; F491-L536 HydrophobicContact CE2-CG 4.29Å; F532-L536 HydrophobicContact CD1-CD1 4.17Å; F532-L536 HydrophobicContact CE1-CD1 3.64Å; F532-L536 HydrophobicContact CZ-CD1 4.03Å; L533-L536 PolarHBondContact O-N 2.98Å; Q534-L536 VanDerWaalsContact C-N 3.3Å; Q534-L536 PolarHBondContact O-N 3.03Å; L536-I567 HydrophobicContact CD2-CG1 4.47Å; L536-L570 HydrophobicContact CD2-CD1 3.7Å; L536-I576 HydrophobicContact CD1-CD1 3.67Å; L536-I576 HydrophobicContact CD2-CD1 4.32Å; L536-T580 HydrophobicContact CD1-CG2 4.44Å |
| 537 | L | 84.7 | Confident | 83.8 | Confident | 54 Ų | 54 | 42 Ų | 42 | 28% | 0.283 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -70.4 | 156.1 | 174.1 | -63.3 | 178.9 | 0 | 0 | 0 | 110.5 | E539 I584 | L537-E539 PolarHBondContact O-N 2.87Å; L537-E539 VanDerWaalsContact O-N 3.15Å; L537-I584 HydrophobicContact CD2-CG2 4.26Å |
| 538 | P | 77.8 | Confident | 83.1 | Confident | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.032 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -57.4 | -25.9 | 170.1 | 25.1 | -33.8 | 0 | 0 | 0 | 111.5 | L560 W588 V591 | P538-L560 HydrophobicContact CB-CD2 3.84Å; P538-W588 HydrophobicContact CB-CZ2 4.31Å; P538-V591 HydrophobicContact CG-CG2 4.45Å |
| 539 | E | 77.1 | Confident | 82.3 | Confident | 49 Ų | 49 | 36.3 Ų | 36.3 | 23% | 0.229 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -123.3 | 95.6 | 170 | -58.4 | -150.3 | 132.6 | 0 | 0 | 111.9 | L537 K556 C652 E653 | L537-E539 PolarHBondContact O-N 2.87Å; L537-E539 VanDerWaalsContact O-N 3.15Å; E539-K556 IonicContact OE1-NZ 3.8Å; E539-K556 PolarHBondContact OE1-NZ 3.33Å; E539-C652 VanDerWaalsContact CD-SG 3.57Å; E539-C652 VanDerWaalsContact OE1-CA 3.25Å; E539-C652 WeakPolarHBondContact OE1-CA 3.43Å; E539-C652 PolarHBondContact OE1-SG 3.21Å; E539-C652 VanDerWaalsContact OE1-SG 3.38Å; E539-E653 WeakPolarHBondContact OE1-CB 3.32Å; E539-E653 VanDerWaalsContact OE1-O 3.06Å |
| 540 | P | 83.9 | Confident | 81.6 | Confident | 7 Ų | 7 | 33 Ų | 33 | 5% | 0.045 | 16% | 0.163 | C | C | . | . | trans | -75.3 | 158.4 | 171.3 | 32.3 | -35.7 | 0 | 0 | 0 | 111.6 | Q534 A544 R545 W550 | Q534-P540 VanDerWaalsContact O-CA 3.26Å; Q534-P540 WeakPolarHBondContact O-CA 3.23Å; Q534-P540 VanDerWaalsContact O-CB 3.32Å; Q534-P540 WeakPolarHBondContact O-CB 3.29Å; P540-A544 HydrophobicContact CB-CB 4.16Å; P540-R545 HydrophobicContact CG-CG 4.21Å; P540-R545 VanDerWaalsContact O-CZ 3.27Å; P540-R545 PolarHBondContact O-NE 3.44Å; P540-R545 PolarHBondContact O-NH2 3.09Å; P540-W550 HydrophobicContact CG-CH2 4Å; P540-W550 HydrophobicContact CG-CZ2 3.37Å | ||
| 541 | P | 82.5 | Confident | 80.6 | Confident | 34 Ų | 34 | 31.7 Ų | 31.7 | 22% | 0.221 | 16% | 0.159 | C | C | . | . | trans | -67.7 | 156.6 | 179.8 | 28.3 | -36.1 | 0 | 0 | 0 | 112.5 | Q534 Y543 A544 R545 | Q534-P541 HydrophobicContact CB-CG 3.99Å; Q534-P541 VanDerWaalsContact O-CD 3.28Å; Q534-P541 WeakPolarHBondContact O-CD 3.27Å; P541-Y543 HydrophobicContact CB-CD1 4.11Å; P541-Y543 HydrophobicContact CB-CE1 3.71Å; P541-Y543 HydrophobicContact CG-CD1 4.24Å; P541-Y543 HydrophobicContact CG-CD2 4.47Å; P541-Y543 HydrophobicContact CG-CE1 3.59Å; P541-Y543 HydrophobicContact CG-CE2 3.84Å; P541-Y543 WeakPolarHBondContact CG-OH 3.38Å; P541-Y543 PolarHBondContact O-N 3.28Å; P541-A544 HydrophobicContact CG-CB 4.16Å; P541-A544 WeakPolarHBondContact O-CA 3.5Å; P541-A544 WeakPolarHBondContact O-CB 3.22Å; P541-A544 PolarHBondContact O-N 3.34Å; P541-R545 PolarHBondContact O-N 3.35Å | ||
| 542 | I | 77.4 | Confident | 79.5 | Confident | 138 Ų | 138 | 34.6 Ų | 34.6 | 71% | 0.708 | 17% | 0.171 | S | C | * | . | G | 310 helix | trans | -48.6 | -39.8 | -172.4 | -59.1 | 171.3 | 0 | 0 | 0 | 113.7 | A544 R545 | I542-A544 VanDerWaalsContact C-N 3.26Å; I542-A544 PolarHBondContact O-N 3.4Å; I542-R545 PolarHBondContact O-N 2.91Å |
| 543 | Y | 81.7 | Confident | 78.1 | Confident | 52 Ų | 52 | 40.3 Ų | 40.3 | 20% | 0.204 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -67.1 | -26.1 | 179.5 | 63.8 | -106.3 | 0 | 0 | 0 | 113.4 | E481 R485 V531 Q534 P541 V546 | E481-Y543 HydrophobicContact CB-CD1 4.34Å; E481-Y543 HydrophobicContact CB-CG 4.2Å; E481-Y543 HydrophobicContact CG-CD1 4.07Å; E481-Y543 HydrophobicContact CG-CG 4.43Å; R485-Y543 WeakPolarHBondContact CA-O 3.31Å; R485-Y543 VanDerWaalsContact CB-O 3.29Å; R485-Y543 WeakPolarHBondContact CB-O 3.32Å; V531-Y543 HydrophobicContact CG1-CE2 3.94Å; Q534-Y543 PolarHBondContact OE1-OH 2.98Å; P541-Y543 HydrophobicContact CB-CD1 4.11Å; P541-Y543 HydrophobicContact CB-CE1 3.71Å; P541-Y543 HydrophobicContact CG-CD1 4.24Å; P541-Y543 HydrophobicContact CG-CD2 4.47Å; P541-Y543 HydrophobicContact CG-CE1 3.59Å; P541-Y543 HydrophobicContact CG-CE2 3.84Å; P541-Y543 WeakPolarHBondContact CG-OH 3.38Å; P541-Y543 PolarHBondContact O-N 3.28Å; Y543-V546 WeakPolarHBondContact O-CG2 3.41Å |
| 544 | A | 82.3 | Confident | 77.2 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 3% | 0.033 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -93.7 | 3.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A488 C535 P540 P541 I542 V546 | A488-A544 HydrophobicContact CB-CB 4.13Å; A488-A544 WeakPolarHBondContact CB-O 3.47Å; C535-A544 WeakPolarHBondContact SG-CB 3.28Å; P540-A544 HydrophobicContact CB-CB 4.16Å; P541-A544 HydrophobicContact CG-CB 4.16Å; P541-A544 WeakPolarHBondContact O-CA 3.5Å; P541-A544 WeakPolarHBondContact O-CB 3.22Å; P541-A544 PolarHBondContact O-N 3.34Å; I542-A544 VanDerWaalsContact C-N 3.26Å; I542-A544 PolarHBondContact O-N 3.4Å; A544-V546 VanDerWaalsContact C-N 3.35Å; A544-V546 PolarHBondContact O-N 3.02Å; A544-V546 VanDerWaalsContact O-N 3.08Å |
| 545 | R | 83.1 | Confident | 76.5 | Confident | 47 Ų | 47 | 40.5 Ų | 40.5 | 18% | 0.177 | 21% | 0.205 | C | C | . | . | trans | -86.1 | 76.7 | 176.1 | -67.4 | -177.9 | -177.6 | 169.6 | 2.3 | 110.4 | P540 P541 I542 W550 E653 | P540-R545 HydrophobicContact CG-CG 4.21Å; P540-R545 VanDerWaalsContact O-CZ 3.27Å; P540-R545 PolarHBondContact O-NE 3.44Å; P540-R545 PolarHBondContact O-NH2 3.09Å; P541-R545 PolarHBondContact O-N 3.35Å; I542-R545 PolarHBondContact O-N 2.91Å; R545-W550 VanDerWaalsContact C-CB 3.49Å; R545-W550 VanDerWaalsContact CA-CG 3.48Å; R545-W550 HydrophobicContact CB-CB 3.8Å; R545-W550 HydrophobicContact CB-CD2 3.53Å; R545-W550 HydrophobicContact CB-CE3 3.71Å; R545-W550 HydrophobicContact CB-CG 3.55Å; R545-W550 VanDerWaalsContact CD-CZ3 3.41Å; R545-W550 HydrophobicContact CG-CD2 3.47Å; R545-W550 VanDerWaalsContact CG-CD2 3.47Å; R545-W550 HydrophobicContact CG-CE3 3.39Å; R545-W550 HydrophobicContact CG-CG 4.05Å; R545-W550 HydrophobicContact CG-CH2 4.2Å; R545-W550 HydrophobicContact CG-CZ2 4.24Å; R545-W550 HydrophobicContact CG-CZ3 3.78Å; R545-E653 IonicContact CZ-OE1 3.15Å; R545-E653 IonicContact CZ-OE2 3.23Å; R545-E653 IonicContact NH1-OE1 3.85Å; R545-E653 PolarHBondContact NH1-OE1 3.08Å; R545-E653 IonicContact NH1-OE2 3.89Å; R545-E653 PolarHBondContact NH1-OE2 3.35Å; R545-E653 IonicContact NH2-OE1 2.67Å; R545-E653 IonicContact NH2-OE2 2.86Å; R545-E653 PolarHBondContact NH2-OE2 3.36Å | ||
| 546 | V | 75.1 | Confident | 75.7 | Confident | 7 Ų | 7 | 40.5 Ų | 40.5 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | trans | -125.6 | 101.4 | -167.1 | -172.6 | 0 | 0 | 0 | 0 | 112.4 | V418 R485 A488 A489 Y543 A544 | V418-V546 HydrophobicContact CG1-CG1 3.48Å; V418-V546 VanDerWaalsContact CG1-CG1 3.48Å; V418-V546 HydrophobicContact CG2-CG1 4.44Å; R485-V546 HydrophobicContact CB-CG2 4.36Å; R485-V546 HydrophobicContact CG-CG2 3.61Å; A488-V546 HydrophobicContact CB-CB 3.82Å; A488-V546 HydrophobicContact CB-CG2 3.88Å; A489-V546 HydrophobicContact CB-CG1 3.87Å; Y543-V546 WeakPolarHBondContact O-CG2 3.41Å; A544-V546 VanDerWaalsContact C-N 3.35Å; A544-V546 PolarHBondContact O-N 3.02Å; A544-V546 VanDerWaalsContact O-N 3.08Å | ||
| 547 | G | 72.7 | Confident | 74.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 70.6 | -162.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K422 V549 W550 D551 R657 | K422-G547 VanDerWaalsContact CE-N 3.34Å; G547-V549 PolarHBondContact O-N 3.39Å; G547-W550 PolarHBondContact O-N 3.32Å; G547-D551 VanDerWaalsContact CA-OD2 3.27Å; G547-D551 WeakPolarHBondContact CA-OD2 3.45Å; G547-R657 PolarHBondContact O-NH2 2.89Å |
| 548 | G | 73.5 | Confident | 74.3 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | -98.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | E562 R657 | G548-E562 VanDerWaalsContact CA-CD 3.46Å; G548-E562 WeakPolarHBondContact CA-OE1 3.44Å; G548-E562 VanDerWaalsContact CA-OE2 3.26Å; G548-E562 WeakPolarHBondContact CA-OE2 3.44Å; G548-E562 VanDerWaalsContact O-OE2 3.08Å; G548-R657 VanDerWaalsContact C-NE 3.33Å; G548-R657 WeakPolarHBondContact O-CD 3.07Å; G548-R657 PolarHBondContact O-NE 2.97Å; G548-R657 PolarHBondContact O-NH1 2.89Å; G548-R657 PolarHBondContact O-NH2 3.49Å |
| 549 | V | 72 | Confident | 74.2 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -21.7 | 172 | -96.4 | 0 | 0 | 0 | 0 | 114.5 | G547 D551 E562 D655 R657 | G547-V549 PolarHBondContact O-N 3.39Å; V549-D551 PolarHBondContact O-N 2.84Å; V549-E562 HydrophobicContact CG1-CB 4.14Å; V549-E562 HydrophobicContact CG2-CB 4.19Å; V549-E562 WeakPolarHBondContact CG2-OE1 3.45Å; V549-E562 PolarHBondContact N-OE1 3.42Å; V549-E562 PolarHBondContact N-OE2 3.43Å; V549-E562 VanDerWaalsContact N-OE2 3.17Å; V549-D655 HydrophobicContact CB-CB 3.5Å; V549-D655 VanDerWaalsContact CB-CB 3.5Å; V549-D655 VanDerWaalsContact CB-OD2 3.32Å; V549-D655 WeakPolarHBondContact CB-OD2 3.37Å; V549-D655 HydrophobicContact CG1-CB 4.11Å; V549-D655 HydrophobicContact CG2-CB 4.32Å; V549-D655 VanDerWaalsContact CG2-OD2 3.27Å; V549-D655 WeakPolarHBondContact CG2-OD2 3.46Å; V549-D655 WeakPolarHBondContact O-CB 3.4Å; V549-R657 VanDerWaalsContact CA-CD 3.43Å; V549-R657 HydrophobicContact CG1-CB 4.37Å; V549-R657 HydrophobicContact CG1-CG 4.28Å; V549-R657 VanDerWaalsContact O-CG 3.22Å; V549-R657 WeakPolarHBondContact O-CG 3.37Å; V549-R657 PolarHBondContact O-NE 3.19Å |
| 550 | W | 74.4 | Confident | 74 | Confident | 34 Ų | 34 | 36.9 Ų | 36.9 | 13% | 0.129 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 30.6 | -171.2 | -48.3 | 101.3 | 0 | 0 | 0 | 120 | P540 R545 G547 D655 R657 | P540-W550 HydrophobicContact CG-CH2 4Å; P540-W550 HydrophobicContact CG-CZ2 3.37Å; R545-W550 VanDerWaalsContact C-CB 3.49Å; R545-W550 VanDerWaalsContact CA-CG 3.48Å; R545-W550 HydrophobicContact CB-CB 3.8Å; R545-W550 HydrophobicContact CB-CD2 3.53Å; R545-W550 HydrophobicContact CB-CE3 3.71Å; R545-W550 HydrophobicContact CB-CG 3.55Å; R545-W550 VanDerWaalsContact CD-CZ3 3.41Å; R545-W550 HydrophobicContact CG-CD2 3.47Å; R545-W550 VanDerWaalsContact CG-CD2 3.47Å; R545-W550 HydrophobicContact CG-CE3 3.39Å; R545-W550 HydrophobicContact CG-CG 4.05Å; R545-W550 HydrophobicContact CG-CH2 4.2Å; R545-W550 HydrophobicContact CG-CZ2 4.24Å; R545-W550 HydrophobicContact CG-CZ3 3.78Å; G547-W550 PolarHBondContact O-N 3.32Å; W550-D655 WeakPolarHBondContact CA-OD1 3.44Å; W550-D655 VanDerWaalsContact CD2-OD1 3.31Å; W550-D655 VanDerWaalsContact CH2-OD2 3.26Å; W550-D655 WeakPolarHBondContact CH2-OD2 3.42Å; W550-D655 VanDerWaalsContact CZ2-OD2 3.23Å; W550-D655 WeakPolarHBondContact CZ2-OD2 3.49Å; W550-D655 WeakPolarHBondContact CZ3-OD1 3.28Å; W550-D655 WeakPolarHBondContact CZ3-OD2 3.46Å; W550-D655 PolarHBondContact N-OD1 3.42Å; W550-R657 VanDerWaalsContact N-NH2 3.12Å |
| 551 | D | 67 | Low | 73.5 | Confident | 88 Ų | 88 | 39.8 Ų | 39.8 | 47% | 0.471 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -147.8 | -3.6 | -174.9 | -47.7 | -55.9 | 0 | 0 | 0 | 116.9 | K422 G547 V549 R657 | K422-D551 IonicContact NZ-OD1 2.65Å; K422-D551 PolarHBondContact NZ-OD1 2.68Å; K422-D551 IonicContact NZ-OD2 2.66Å; K422-D551 PolarHBondContact NZ-OD2 3.12Å; G547-D551 VanDerWaalsContact CA-OD2 3.27Å; G547-D551 WeakPolarHBondContact CA-OD2 3.45Å; V549-D551 PolarHBondContact O-N 2.84Å; D551-R657 IonicContact OD1-NH2 3.83Å; D551-R657 IonicContact OD2-CZ 2.68Å; D551-R657 IonicContact OD2-NH1 3.29Å; D551-R657 IonicContact OD2-NH2 2.89Å; D551-R657 PolarHBondContact OD2-NH2 3.08Å |
| 552 | K | 66.4 | Low | 73.1 | Confident | 71 Ų | 71 | 40 Ų | 40 | 31% | 0.309 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -121 | -135.9 | -179.2 | -33.7 | 167.3 | -173.1 | 147.7 | 0 | 110.7 | E429 D656 R657 | E429-K552 VanDerWaalsContact CG-NZ 3.31Å; E429-K552 WeakPolarHBondContact OE1-CE 3.2Å; E429-K552 IonicContact OE1-NZ 2.72Å; E429-K552 PolarHBondContact OE1-NZ 3.03Å; E429-K552 WeakPolarHBondContact OE2-CE 3.43Å; E429-K552 IonicContact OE2-NZ 2.87Å; E429-K552 PolarHBondContact OE2-NZ 2.98Å; K552-D656 VanDerWaalsContact C-C 3.49Å; K552-D656 CarbonylContact C-O 3.58Å; K552-D656 WeakPolarHBondContact CA-O 3.33Å; K552-D656 VanDerWaalsContact CB-O 3.24Å; K552-D656 WeakPolarHBondContact CB-O 3.5Å; K552-D656 PolarHBondContact N-O 3.06Å; K552-D656 WeakPolarHBondContact O-CB 3.36Å; K552-R657 HydrophobicContact CB-CB 4.48Å; K552-R657 HydrophobicContact CB-CG 3.89Å; K552-R657 HydrophobicContact CD-CB 3.92Å; K552-R657 HydrophobicContact CD-CG 3.63Å; K552-R657 HydrophobicContact CG-CB 4.45Å; K552-R657 HydrophobicContact CG-CG 3.71Å |
| 553 | L | 61.2 | Low | 73.1 | Confident | 127 Ų | 127 | 33.9 Ų | 33.9 | 67% | 0.665 | 17% | 0.165 | S | C | * | . | trans | -144.6 | 134.1 | 165.7 | -66.4 | 173.6 | 0 | 0 | 0 | 113.1 | D656 R657 G658 | L553-D656 VanDerWaalsContact CA-CB 3.43Å; L553-D656 WeakPolarHBondContact CA-O 3.36Å; L553-D656 WeakPolarHBondContact CA-OD1 3.41Å; L553-D656 HydrophobicContact CB-CB 4.45Å; L553-D656 HydrophobicContact CD2-CB 3.94Å; L553-D656 VanDerWaalsContact CD2-CG 3.43Å; L553-D656 PolarHBondContact N-O 3.12Å; L553-R657 CarbonylContact O-C 3.42Å; L553-R657 PolarHBondContact O-N 2.89Å; L553-G658 PolarHBondContact O-N 2.86Å | ||
| 554 | S | 68.6 | Low | 72.8 | Confident | 42 Ų | 42 | 33.4 Ų | 33.4 | 29% | 0.294 | 17% | 0.166 | S | C | . | . | trans | -166.2 | -96.5 | 163.9 | 67.7 | 0 | 0 | 0 | 0 | 115.3 | D558 D656 R657 | S554-D558 PolarHBondContact OG-OD2 2.97Å; S554-D656 VanDerWaalsContact N-C 3.26Å; S554-D656 PolarHBondContact N-OD1 3.08Å; S554-R657 VanDerWaalsContact OG-CA 3.26Å; S554-R657 WeakPolarHBondContact OG-CA 3.46Å; S554-R657 PolarHBondContact OG-N 3.2Å; S554-R657 PolarHBondContact OG-O 3.03Å; S554-R657 VanDerWaalsContact OG-O 3.06Å | ||
| 555 | K | 72.1 | Confident | 72.4 | Confident | 62 Ų | 62 | 34.1 Ų | 34.1 | 27% | 0.27 | 17% | 0.174 | S | C | . | . | trans | -155.7 | 138.6 | -162.7 | -50 | -175.7 | -166.6 | -177.5 | 0 | 113.3 | T557 D558 D600 D655 | K555-T557 WeakPolarHBondContact CB-OG1 3.34Å; K555-T557 PolarHBondContact O-N 2.9Å; K555-D558 PolarHBondContact O-N 2.91Å; K555-D600 WeakPolarHBondContact CD-OD2 3.27Å; K555-D600 IonicContact NZ-OD1 2.7Å; K555-D600 PolarHBondContact NZ-OD1 3.24Å; K555-D600 IonicContact NZ-OD2 2.61Å; K555-D600 PolarHBondContact NZ-OD2 3.5Å; K555-D655 CarbonylContact C-O 3.55Å; K555-D655 WeakPolarHBondContact CA-O 3.47Å; K555-D655 PolarHBondContact N-O 3.44Å | ||
| 556 | K | 69.5 | Low | 72.3 | Confident | 14 Ų | 14 | 33 Ų | 33 | 6% | 0.061 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -45.6 | -31.8 | 173.2 | -165.4 | 96.7 | -151.7 | -161.9 | 0 | 113.6 | E539 D558 Q559 L560 V591 E595 E653 D655 | E539-K556 IonicContact OE1-NZ 3.8Å; E539-K556 PolarHBondContact OE1-NZ 3.33Å; K556-D558 VanDerWaalsContact C-N 3.31Å; K556-D558 PolarHBondContact O-N 3.4Å; K556-Q559 WeakPolarHBondContact O-CB 3.35Å; K556-Q559 PolarHBondContact O-N 3.34Å; K556-Q559 VanDerWaalsContact O-N 3.16Å; K556-L560 HydrophobicContact CG-CD1 3.98Å; K556-L560 WeakPolarHBondContact O-CD1 3.3Å; K556-L560 VanDerWaalsContact O-CG 3.25Å; K556-L560 WeakPolarHBondContact O-CG 3.41Å; K556-L560 PolarHBondContact O-N 2.93Å; K556-V591 HydrophobicContact CG-CG1 4.39Å; K556-E595 WeakPolarHBondContact CB-O 3.24Å; K556-E595 HydrophobicContact CD-CB 3.97Å; K556-E595 VanDerWaalsContact CD-OE2 3.24Å; K556-E595 WeakPolarHBondContact CD-OE2 3.46Å; K556-E595 WeakPolarHBondContact CE-OE2 3.49Å; K556-E595 HydrophobicContact CG-CB 3.89Å; K556-E595 IonicContact NZ-OE2 2.63Å; K556-E595 PolarHBondContact NZ-OE2 3.18Å; K556-E653 WeakPolarHBondContact CE-O 3.14Å; K556-E653 PolarHBondContact NZ-O 3.04Å; K556-D655 PolarHBondContact N-O 2.74Å |
| 557 | T | 70 | Confident | 72.5 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.9 | -34.8 | -179.2 | 66.8 | 0 | 0 | 0 | 0 | 112.5 | K555 L560 K561 V596 P597 D600 | K555-T557 WeakPolarHBondContact CB-OG1 3.34Å; K555-T557 PolarHBondContact O-N 2.9Å; T557-L560 PolarHBondContact O-N 3.01Å; T557-K561 VanDerWaalsContact O-CG 3.27Å; T557-K561 WeakPolarHBondContact O-CG 3.29Å; T557-K561 PolarHBondContact O-N 3.38Å; T557-V596 HydrophobicContact CG2-CB 4.05Å; T557-V596 HydrophobicContact CG2-CG1 3.6Å; T557-V596 HydrophobicContact CG2-CG2 4.12Å; T557-P597 HydrophobicContact CG2-CG 3.95Å; T557-D600 VanDerWaalsContact CB-CB 3.42Å; T557-D600 WeakPolarHBondContact CB-OD2 3.3Å; T557-D600 HydrophobicContact CG2-CB 3.71Å; T557-D600 WeakPolarHBondContact CG2-OD2 3.44Å; T557-D600 VanDerWaalsContact OG1-CB 3.25Å; T557-D600 WeakPolarHBondContact OG1-CB 3.43Å; T557-D600 PolarHBondContact OG1-OD2 3.18Å |
| 558 | D | 71.7 | Confident | 72.5 | Confident | 40 Ų | 40 | 37.4 Ų | 37.4 | 21% | 0.214 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -75.3 | -31.9 | 173.2 | -57.4 | -38.8 | 0 | 0 | 0 | 111.6 | S554 K555 K556 L560 K561 E562 | S554-D558 PolarHBondContact OG-OD2 2.97Å; K555-D558 PolarHBondContact O-N 2.91Å; K556-D558 VanDerWaalsContact C-N 3.31Å; K556-D558 PolarHBondContact O-N 3.4Å; D558-L560 VanDerWaalsContact C-N 3.27Å; D558-L560 PolarHBondContact O-N 2.94Å; D558-K561 PolarHBondContact O-N 3.35Å; D558-K561 IonicContact OD1-NZ 2.93Å; D558-K561 PolarHBondContact OD1-NZ 3.08Å; D558-K561 VanDerWaalsContact OD1-NZ 3.11Å; D558-E562 PolarHBondContact O-N 3.07Å |
| 559 | Q | 75.5 | Confident | 72.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -54.4 | -49.3 | 167.1 | -68.9 | 180 | -81.7 | 0 | 0 | 111.3 | K556 E562 S563 E653 S654 D655 | K556-Q559 WeakPolarHBondContact O-CB 3.35Å; K556-Q559 PolarHBondContact O-N 3.34Å; K556-Q559 VanDerWaalsContact O-N 3.16Å; Q559-E562 PolarHBondContact O-N 3.26Å; Q559-S563 WeakPolarHBondContact O-CA 3.42Å; Q559-S563 WeakPolarHBondContact O-CB 3.35Å; Q559-S563 PolarHBondContact O-N 3.15Å; Q559-S563 PolarHBondContact O-OG 2.95Å; Q559-E653 PolarHBondContact NE2-O 3.43Å; Q559-E653 PolarHBondContact OE1-O 3.12Å; Q559-S654 VanDerWaalsContact OE1-N 3.16Å; Q559-D655 HydrophobicContact CG-CB 3.17Å; Q559-D655 VanDerWaalsContact CG-OD2 3.26Å; Q559-D655 WeakPolarHBondContact CG-OD2 3.35Å; Q559-D655 VanDerWaalsContact NE2-CG 3.35Å; Q559-D655 PolarHBondContact NE2-OD2 3.1Å |
| 560 | L | 73.6 | Confident | 73 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.4 | -41.6 | -172.2 | -66.5 | 161.5 | 0 | 0 | 0 | 109 | P538 K556 T557 D558 S563 L564 W588 V591 V596 | P538-L560 HydrophobicContact CB-CD2 3.84Å; K556-L560 HydrophobicContact CG-CD1 3.98Å; K556-L560 WeakPolarHBondContact O-CD1 3.3Å; K556-L560 VanDerWaalsContact O-CG 3.25Å; K556-L560 WeakPolarHBondContact O-CG 3.41Å; K556-L560 PolarHBondContact O-N 2.93Å; T557-L560 PolarHBondContact O-N 3.01Å; D558-L560 VanDerWaalsContact C-N 3.27Å; D558-L560 PolarHBondContact O-N 2.94Å; L560-S563 PolarHBondContact O-N 3.47Å; L560-L564 WeakPolarHBondContact O-CB 3.41Å; L560-L564 PolarHBondContact O-N 3.16Å; L560-W588 HydrophobicContact CB-CZ3 3.78Å; L560-W588 HydrophobicContact CD2-CD2 4.44Å; L560-W588 HydrophobicContact CD2-CE3 3.64Å; L560-W588 HydrophobicContact CD2-CH2 4.02Å; L560-W588 HydrophobicContact CD2-CZ3 3.41Å; L560-W588 VanDerWaalsContact CD2-CZ3 3.41Å; L560-W588 HydrophobicContact CG-CZ3 4.2Å; L560-W588 WeakPolarHBondContact O-CH2 3.1Å; L560-W588 WeakPolarHBondContact O-CZ3 3.45Å; L560-V591 HydrophobicContact CD1-CG1 3.76Å; L560-V591 HydrophobicContact CD2-CG1 3.85Å; L560-V591 HydrophobicContact CG-CG1 4.36Å; L560-V596 HydrophobicContact CD1-CG2 3.2Å |
| 561 | K | 73.2 | Confident | 73 | Confident | 68 Ų | 68 | 40.4 Ų | 40.4 | 30% | 0.296 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -55.9 | -52.9 | 170.6 | -70.9 | 166.4 | -166.6 | 169.2 | 0 | 112.4 | T557 D558 G565 D603 | T557-K561 VanDerWaalsContact O-CG 3.27Å; T557-K561 WeakPolarHBondContact O-CG 3.29Å; T557-K561 PolarHBondContact O-N 3.38Å; D558-K561 PolarHBondContact O-N 3.35Å; D558-K561 IonicContact OD1-NZ 2.93Å; D558-K561 PolarHBondContact OD1-NZ 3.08Å; D558-K561 VanDerWaalsContact OD1-NZ 3.11Å; K561-G565 PolarHBondContact O-N 3.4Å; K561-D603 VanDerWaalsContact CE-CB 3.4Å; K561-D603 WeakPolarHBondContact CE-OD2 3.44Å; K561-D603 IonicContact NZ-OD2 3.77Å; K561-D603 PolarHBondContact NZ-OD2 2.89Å |
| 562 | E | 74.7 | Confident | 73.4 | Confident | 39 Ų | 39 | 41 Ų | 41 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.6 | -35.9 | -177.1 | -162.7 | -166.8 | 101.1 | 0 | 0 | 112 | G548 V549 D558 Q559 G565 K566 | G548-E562 VanDerWaalsContact CA-CD 3.46Å; G548-E562 WeakPolarHBondContact CA-OE1 3.44Å; G548-E562 VanDerWaalsContact CA-OE2 3.26Å; G548-E562 WeakPolarHBondContact CA-OE2 3.44Å; G548-E562 VanDerWaalsContact O-OE2 3.08Å; V549-E562 HydrophobicContact CG1-CB 4.14Å; V549-E562 HydrophobicContact CG2-CB 4.19Å; V549-E562 WeakPolarHBondContact CG2-OE1 3.45Å; V549-E562 PolarHBondContact N-OE1 3.42Å; V549-E562 PolarHBondContact N-OE2 3.43Å; V549-E562 VanDerWaalsContact N-OE2 3.17Å; D558-E562 PolarHBondContact O-N 3.07Å; Q559-E562 PolarHBondContact O-N 3.26Å; E562-G565 CarbonylContact O-C 3.56Å; E562-G565 WeakPolarHBondContact O-CA 3.34Å; E562-G565 PolarHBondContact O-N 3.25Å; E562-K566 WeakPolarHBondContact O-CG 3.36Å; E562-K566 PolarHBondContact O-N 3.17Å; E562-K566 WeakPolarHBondContact OE1-CE 3.5Å; E562-K566 IonicContact OE1-NZ 3.26Å; E562-K566 PolarHBondContact OE1-NZ 3.41Å |
| 563 | S | 77.2 | Confident | 73.9 | Confident | 10 Ų | 10 | 40.9 Ų | 40.9 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -75.9 | -32 | 179.9 | -54.5 | 0 | 0 | 0 | 0 | 111.9 | Q559 L560 G565 I567 | Q559-S563 WeakPolarHBondContact O-CA 3.42Å; Q559-S563 WeakPolarHBondContact O-CB 3.35Å; Q559-S563 PolarHBondContact O-N 3.15Å; Q559-S563 PolarHBondContact O-OG 2.95Å; L560-S563 PolarHBondContact O-N 3.47Å; S563-G565 VanDerWaalsContact C-N 3.34Å; S563-I567 WeakPolarHBondContact O-CG1 3.34Å; S563-I567 PolarHBondContact O-N 2.92Å |
| 564 | L | 75.5 | Confident | 74.5 | Confident | 41 Ų | 41 | 41.6 Ų | 41.6 | 22% | 0.215 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.5 | -38.3 | 167.1 | -156.5 | 84.9 | 0 | 0 | 0 | 109.7 | L560 I567 L568 M585 W588 | L560-L564 WeakPolarHBondContact O-CB 3.41Å; L560-L564 PolarHBondContact O-N 3.16Å; L564-I567 PolarHBondContact O-N 3.18Å; L564-L568 HydrophobicContact CD2-CD1 4.4Å; L564-L568 HydrophobicContact CG-CD1 4.42Å; L564-L568 WeakPolarHBondContact O-CB 3.49Å; L564-L568 VanDerWaalsContact O-CG 3.24Å; L564-L568 WeakPolarHBondContact O-CG 3.47Å; L564-L568 PolarHBondContact O-N 3.47Å; L564-M585 HydrophobicContact CD1-CE 4.49Å; L564-W588 HydrophobicContact CB-CH2 3.92Å; L564-W588 HydrophobicContact CB-CZ3 3.93Å; L564-W588 HydrophobicContact CD1-CD2 4.29Å; L564-W588 HydrophobicContact CD1-CE3 3.88Å; L564-W588 HydrophobicContact CD1-CH2 3.99Å; L564-W588 HydrophobicContact CD1-CZ2 4.38Å; L564-W588 HydrophobicContact CD1-CZ3 3.7Å; L564-W588 HydrophobicContact CG-CZ3 4.44Å |
| 565 | G | 73.4 | Confident | 75.1 | Confident | 19 Ų | 19 | 40.6 Ų | 40.6 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.4 | -49.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.7 | K561 E562 S563 I567 L568 A569 | K561-G565 PolarHBondContact O-N 3.4Å; E562-G565 CarbonylContact O-C 3.56Å; E562-G565 WeakPolarHBondContact O-CA 3.34Å; E562-G565 PolarHBondContact O-N 3.25Å; S563-G565 VanDerWaalsContact C-N 3.34Å; G565-I567 PolarHBondContact O-N 3.39Å; G565-L568 CarbonylContact O-C 3.52Å; G565-L568 PolarHBondContact O-N 3.41Å; G565-A569 VanDerWaalsContact O-CB 3.29Å; G565-A569 WeakPolarHBondContact O-CB 3.3Å; G565-A569 PolarHBondContact O-N 3.11Å |
| 566 | K | 80.5 | Confident | 75.5 | Confident | 23 Ų | 23 | 39 Ų | 39 | 10% | 0.1 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.8 | -45.3 | 173.5 | -69.1 | 163 | -161.1 | 141.4 | 0 | 112.2 | D495 E562 A569 L570 | D495-K566 HydrophobicContact CB-CG 3.99Å; E562-K566 WeakPolarHBondContact O-CG 3.36Å; E562-K566 PolarHBondContact O-N 3.17Å; E562-K566 WeakPolarHBondContact OE1-CE 3.5Å; E562-K566 IonicContact OE1-NZ 3.26Å; E562-K566 PolarHBondContact OE1-NZ 3.41Å; K566-A569 PolarHBondContact O-N 3.16Å; K566-L570 WeakPolarHBondContact O-CB 3.48Å; K566-L570 WeakPolarHBondContact O-CD1 3.4Å; K566-L570 WeakPolarHBondContact O-CG 3.43Å; K566-L570 PolarHBondContact O-N 2.94Å |
| 567 | I | 79 | Confident | 75.9 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61 | -48.8 | 176.1 | -65.8 | 164.5 | 0 | 0 | 0 | 110.1 | L536 S563 L564 G565 A569 L570 I571 I576 I584 W588 | L536-I567 HydrophobicContact CD2-CG1 4.47Å; S563-I567 WeakPolarHBondContact O-CG1 3.34Å; S563-I567 PolarHBondContact O-N 2.92Å; L564-I567 PolarHBondContact O-N 3.18Å; G565-I567 PolarHBondContact O-N 3.39Å; I567-A569 VanDerWaalsContact C-N 3.31Å; I567-A569 PolarHBondContact O-N 2.91Å; I567-L570 PolarHBondContact O-N 3.31Å; I567-I571 HydrophobicContact CG2-CD1 4.47Å; I567-I571 WeakPolarHBondContact O-CG1 3.41Å; I567-I571 PolarHBondContact O-N 3.35Å; I567-I571 VanDerWaalsContact O-N 3.15Å; I567-I576 HydrophobicContact CG2-CG1 4.49Å; I567-I584 HydrophobicContact CD1-CD1 4.01Å; I567-W588 HydrophobicContact CD1-CZ2 3.7Å |
| 568 | L | 73.6 | Confident | 76 | Confident | 98 Ų | 98 | 48.5 Ų | 48.5 | 51% | 0.513 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.2 | -34.8 | 178.3 | -68.1 | 169.7 | 0 | 0 | 0 | 112.8 | L564 G565 I571 P572 | L564-L568 HydrophobicContact CD2-CD1 4.4Å; L564-L568 HydrophobicContact CG-CD1 4.42Å; L564-L568 WeakPolarHBondContact O-CB 3.49Å; L564-L568 VanDerWaalsContact O-CG 3.24Å; L564-L568 WeakPolarHBondContact O-CG 3.47Å; L564-L568 PolarHBondContact O-N 3.47Å; G565-L568 CarbonylContact O-C 3.52Å; G565-L568 PolarHBondContact O-N 3.41Å; L568-I571 HydrophobicContact CD2-CD1 4.29Å; L568-P572 VanDerWaalsContact O-CD 3.22Å; L568-P572 WeakPolarHBondContact O-CD 3.22Å |
| 569 | A | 76.7 | Confident | 76.1 | Confident | 17 Ų | 17 | 53.1 Ų | 53.1 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -74.9 | -22 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G565 K566 I567 Y573 | G565-A569 VanDerWaalsContact O-CB 3.29Å; G565-A569 WeakPolarHBondContact O-CB 3.3Å; G565-A569 PolarHBondContact O-N 3.11Å; K566-A569 PolarHBondContact O-N 3.16Å; I567-A569 VanDerWaalsContact C-N 3.31Å; I567-A569 PolarHBondContact O-N 2.91Å; A569-Y573 VanDerWaalsContact O-CD2 3.29Å; A569-Y573 WeakPolarHBondContact O-CD2 3.31Å; A569-Y573 VanDerWaalsContact O-CE2 3.31Å; A569-Y573 WeakPolarHBondContact O-CE2 3.3Å |
| 570 | L | 79.7 | Confident | 76.3 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -88.6 | -27.7 | 177.3 | -69.9 | 168.4 | 0 | 0 | 0 | 113.2 | F491 L536 K566 I567 Y573 L575 I576 | F491-L570 HydrophobicContact CD1-CD2 4.43Å; F491-L570 HydrophobicContact CE1-CD1 4.39Å; F491-L570 HydrophobicContact CE1-CD2 4.4Å; F491-L570 HydrophobicContact CZ-CD1 4.39Å; L536-L570 HydrophobicContact CD2-CD1 3.7Å; K566-L570 WeakPolarHBondContact O-CB 3.48Å; K566-L570 WeakPolarHBondContact O-CD1 3.4Å; K566-L570 WeakPolarHBondContact O-CG 3.43Å; K566-L570 PolarHBondContact O-N 2.94Å; I567-L570 PolarHBondContact O-N 3.31Å; L570-Y573 PolarHBondContact O-N 2.73Å; L570-L575 HydrophobicContact CB-CB 4.37Å; L570-L575 HydrophobicContact CD2-CD1 3.65Å; L570-I576 HydrophobicContact CB-CD1 4.42Å; L570-I576 HydrophobicContact CB-CG1 4.04Å |
| 571 | I | 74.8 | Confident | 76.3 | Confident | 85 Ų | 85 | 58.9 Ų | 58.9 | 44% | 0.436 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -50.5 | -44.3 | 176.9 | -73.9 | 168.6 | 0 | 0 | 0 | 113.1 | I567 L568 Y573 D574 I576 | I567-I571 HydrophobicContact CG2-CD1 4.47Å; I567-I571 WeakPolarHBondContact O-CG1 3.41Å; I567-I571 PolarHBondContact O-N 3.35Å; I567-I571 VanDerWaalsContact O-N 3.15Å; L568-I571 HydrophobicContact CD2-CD1 4.29Å; I571-Y573 PolarHBondContact O-N 3.31Å; I571-Y573 VanDerWaalsContact O-N 3.16Å; I571-D574 PolarHBondContact O-N 3.25Å; I571-I576 HydrophobicContact CG1-CB 4.12Å; I571-I576 HydrophobicContact CG1-CG1 4.25Å; I571-I576 HydrophobicContact CG1-CG2 4.48Å |
| 572 | P | 74.6 | Confident | 76.3 | Confident | 101 Ų | 101 | 61.8 Ų | 61.8 | 66% | 0.656 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -62.7 | -18.6 | 178.2 | -26 | 35.4 | 0 | 0 | 0 | 116 | L568 | L568-P572 VanDerWaalsContact O-CD 3.22Å; L568-P572 WeakPolarHBondContact O-CD 3.22Å |
| 573 | Y | 76.8 | Confident | 76.4 | Confident | 67 Ų | 67 | 67.8 Ų | 67.8 | 26% | 0.263 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -98.7 | 6.9 | -177.6 | -60.4 | -87.2 | 0 | 0 | 0 | 113.3 | F494 A569 L570 I571 | F494-Y573 HydrophobicContact CD1-CD2 4.31Å; F494-Y573 AromaticContact CD1-CE2 3.83Å; F494-Y573 HydrophobicContact CD1-CE2 3.83Å; F494-Y573 HydrophobicContact CE1-CD1 4.23Å; F494-Y573 HydrophobicContact CE1-CD2 4.14Å; F494-Y573 AromaticContact CE1-CE1 3.9Å; F494-Y573 HydrophobicContact CE1-CE1 3.9Å; F494-Y573 AromaticContact CE1-CE2 3.82Å; F494-Y573 HydrophobicContact CE1-CE2 3.82Å; F494-Y573 HydrophobicContact CE1-CG 4.34Å; F494-Y573 AromaticContact CE1-CZ 3.69Å; A569-Y573 VanDerWaalsContact O-CD2 3.29Å; A569-Y573 WeakPolarHBondContact O-CD2 3.31Å; A569-Y573 VanDerWaalsContact O-CE2 3.31Å; A569-Y573 WeakPolarHBondContact O-CE2 3.3Å; L570-Y573 PolarHBondContact O-N 2.73Å; I571-Y573 PolarHBondContact O-N 3.31Å; I571-Y573 VanDerWaalsContact O-N 3.16Å |
| 574 | D | 74.9 | Confident | 76.5 | Confident | 143 Ų | 143 | 67.7 Ų | 67.7 | 77% | 0.765 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 49.9 | -178.5 | -159.8 | 26.6 | 0 | 0 | 0 | 112.7 | I571 | I571-D574 PolarHBondContact O-N 3.25Š|
| 575 | L | 80.8 | Confident | 76.1 | Confident | 21 Ų | 21 | 67.1 Ų | 67.1 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | trans | -114.2 | -4.7 | -177.7 | -62.6 | 174.9 | 0 | 0 | 0 | 114.1 | I525 F532 L570 | I525-L575 HydrophobicContact CD1-CD2 4.16Å; F532-L575 HydrophobicContact CZ-CB 4.48Å; L570-L575 HydrophobicContact CB-CB 4.37Å; L570-L575 HydrophobicContact CD2-CD1 3.65Å | ||
| 576 | I | 80.7 | Confident | 76 | Confident | 27 Ų | 27 | 70.4 Ų | 70.4 | 14% | 0.138 | 35% | 0.35 | C | S | . | . | trans | -129.1 | 126.6 | -178.4 | -55.3 | -66.4 | 0 | 0 | 0 | 109.2 | L536 I567 L570 I571 T580 | L536-I576 HydrophobicContact CD1-CD1 3.67Å; L536-I576 HydrophobicContact CD2-CD1 4.32Å; I567-I576 HydrophobicContact CG2-CG1 4.49Å; L570-I576 HydrophobicContact CB-CD1 4.42Å; L570-I576 HydrophobicContact CB-CG1 4.04Å; I571-I576 HydrophobicContact CG1-CB 4.12Å; I571-I576 HydrophobicContact CG1-CG1 4.25Å; I571-I576 HydrophobicContact CG1-CG2 4.48Å; I576-T580 HydrophobicContact CD1-CG2 4.39Å; I576-T580 HydrophobicContact CG2-CG2 4.28Å | ||
| 577 | C | 77.9 | Confident | 75.5 | Confident | 65 Ų | 65 | 73.8 Ų | 73.8 | 44% | 0.439 | 37% | 0.365 | S | S | . | . | trans | -120.1 | 175.7 | -179.2 | 73 | 0 | 0 | 0 | 0 | 113.1 | E579 T580 W581 | C577-E579 VanDerWaalsContact C-N 3.31Å; C577-E579 PolarHBondContact O-N 2.81Å; C577-T580 PolarHBondContact N-OG1 3.26Å; C577-T580 VanDerWaalsContact N-OG1 3.13Å; C577-T580 WeakPolarHBondContact O-CA 3.37Å; C577-T580 WeakPolarHBondContact O-CB 3.23Å; C577-T580 PolarHBondContact O-N 3.45Å; C577-T580 PolarHBondContact O-OG1 2.96Å; C577-T580 PolarHBondContact SG-OG1 3.43Å; C577-W581 PolarHBondContact O-N 2.88Å | ||
| 578 | F | 71.2 | Confident | 75.2 | Confident | 150 Ų | 150 | 74 Ų | 74 | 66% | 0.658 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.3 | -39.7 | 178.8 | -179.5 | -90 | 0 | 0 | 0 | 112.6 | T580 W581 E582 | F578-T580 PolarHBondContact O-N 3.35Å; F578-W581 PolarHBondContact O-N 3.48Å; F578-W581 VanDerWaalsContact O-N 3.09Å; F578-E582 HydrophobicContact CE1-CB 4.48Å; F578-E582 WeakPolarHBondContact CE1-OE2 3.48Å; F578-E582 PolarHBondContact O-N 3.5Å |
| 579 | E | 74.3 | Confident | 74.7 | Confident | 137 Ų | 137 | 75 Ų | 75 | 64% | 0.64 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.3 | -27.5 | 174.3 | -63.1 | -175.7 | 143.9 | 0 | 0 | 112.4 | C577 R583 | C577-E579 VanDerWaalsContact C-N 3.31Å; C577-E579 PolarHBondContact O-N 2.81Å; E579-R583 VanDerWaalsContact O-CG 3.3Å; E579-R583 WeakPolarHBondContact O-CG 3.43Å |
| 580 | T | 79.5 | Confident | 74.2 | Confident | 7 Ų | 7 | 76.6 Ų | 76.6 | 4% | 0.043 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -70.6 | -46.4 | 170.2 | -38.1 | 0 | 0 | 0 | 0 | 110.7 | L533 L536 I576 C577 F578 R583 I584 | L533-T580 HydrophobicContact CD2-CG2 4.49Å; L536-T580 HydrophobicContact CD1-CG2 4.44Å; I576-T580 HydrophobicContact CD1-CG2 4.39Å; I576-T580 HydrophobicContact CG2-CG2 4.28Å; C577-T580 PolarHBondContact N-OG1 3.26Å; C577-T580 VanDerWaalsContact N-OG1 3.13Å; C577-T580 WeakPolarHBondContact O-CA 3.37Å; C577-T580 WeakPolarHBondContact O-CB 3.23Å; C577-T580 PolarHBondContact O-N 3.45Å; C577-T580 PolarHBondContact O-OG1 2.96Å; C577-T580 PolarHBondContact SG-OG1 3.43Å; F578-T580 PolarHBondContact O-N 3.35Å; T580-R583 PolarHBondContact O-N 3.35Å; T580-I584 WeakPolarHBondContact O-CG1 3.05Å; T580-I584 PolarHBondContact O-N 2.82Å |
| 581 | W | 74.2 | Confident | 73.7 | Confident | 114 Ų | 114 | 77.2 Ų | 77.2 | 43% | 0.432 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.5 | -45.4 | -175.5 | -170.9 | -98.5 | 0 | 0 | 0 | 113.5 | C577 F578 R583 I584 M585 | C577-W581 PolarHBondContact O-N 2.88Å; F578-W581 PolarHBondContact O-N 3.48Å; F578-W581 VanDerWaalsContact O-N 3.09Å; W581-R583 VanDerWaalsContact C-N 3.27Å; W581-R583 PolarHBondContact O-N 3.15Å; W581-I584 WeakPolarHBondContact O-CG1 3.14Å; W581-I584 PolarHBondContact O-N 3.37Å; W581-M585 HydrophobicContact CD2-CG 3.72Å; W581-M585 HydrophobicContact CE3-CE 4.2Å; W581-M585 HydrophobicContact CE3-CG 4.3Å; W581-M585 HydrophobicContact CG-CG 4.17Å; W581-M585 HydrophobicContact CH2-CE 3.77Å; W581-M585 HydrophobicContact CH2-CG 4.1Å; W581-M585 HydrophobicContact CH2-SD 3.68Å; W581-M585 HydrophobicContact CZ2-CE 4.16Å; W581-M585 HydrophobicContact CZ2-CG 3.5Å; W581-M585 VanDerWaalsContact CZ2-CG 3.5Å; W581-M585 HydrophobicContact CZ2-SD 3.51Å; W581-M585 VanDerWaalsContact CZ2-SD 3.51Å; W581-M585 HydrophobicContact CZ3-CE 3.79Å; W581-M585 HydrophobicContact CZ3-CG 4.47Å; W581-M585 HydrophobicContact CZ3-SD 4.27Å; W581-M585 PolarHBondContact O-N 3Å; W581-M585 VanDerWaalsContact O-N 3.09Å |
| 582 | E | 72 | Confident | 73.1 | Confident | 129 Ų | 129 | 74.8 Ų | 74.8 | 60% | 0.603 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.3 | -33.7 | 178.9 | -171.5 | 176 | -168.2 | 0 | 0 | 112.1 | F578 | F578-E582 HydrophobicContact CE1-CB 4.48Å; F578-E582 WeakPolarHBondContact CE1-OE2 3.48Å; F578-E582 PolarHBondContact O-N 3.5Å |
| 583 | R | 76.8 | Confident | 72.3 | Confident | 165 Ų | 165 | 74.8 Ų | 74.8 | 62% | 0.623 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -73.8 | -21.6 | 177.2 | -74.1 | -177.8 | -179.5 | -158.9 | 3 | 114.3 | E579 T580 W581 | E579-R583 VanDerWaalsContact O-CG 3.3Å; E579-R583 WeakPolarHBondContact O-CG 3.43Å; T580-R583 PolarHBondContact O-N 3.35Å; W581-R583 VanDerWaalsContact C-N 3.27Å; W581-R583 PolarHBondContact O-N 3.15Å |
| 584 | I | 78.9 | Confident | 71.6 | Confident | 8 Ų | 8 | 75.6 Ų | 75.6 | 4% | 0.041 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -105.7 | -45.1 | -174.2 | 65.7 | -177.6 | 0 | 0 | 0 | 114.1 | L537 I567 T580 W581 Q587 W588 | L537-I584 HydrophobicContact CD2-CG2 4.26Å; I567-I584 HydrophobicContact CD1-CD1 4.01Å; T580-I584 WeakPolarHBondContact O-CG1 3.05Å; T580-I584 PolarHBondContact O-N 2.82Å; W581-I584 WeakPolarHBondContact O-CG1 3.14Å; W581-I584 PolarHBondContact O-N 3.37Å; I584-Q587 WeakPolarHBondContact O-CB 3.28Å; I584-Q587 PolarHBondContact O-N 3.39Å; I584-W588 PolarHBondContact O-N 3.45Å |
| 585 | M | 68.5 | Low | 71.3 | Confident | 30 Ų | 30 | 71.1 Ų | 71.1 | 15% | 0.148 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.2 | -35.9 | -165.7 | -81.9 | -61.2 | 108.8 | 0 | 0 | 117.4 | L564 W581 Q587 W588 F589 | L564-M585 HydrophobicContact CD1-CE 4.49Å; W581-M585 HydrophobicContact CD2-CG 3.72Å; W581-M585 HydrophobicContact CE3-CE 4.2Å; W581-M585 HydrophobicContact CE3-CG 4.3Å; W581-M585 HydrophobicContact CG-CG 4.17Å; W581-M585 HydrophobicContact CH2-CE 3.77Å; W581-M585 HydrophobicContact CH2-CG 4.1Å; W581-M585 HydrophobicContact CH2-SD 3.68Å; W581-M585 HydrophobicContact CZ2-CE 4.16Å; W581-M585 HydrophobicContact CZ2-CG 3.5Å; W581-M585 VanDerWaalsContact CZ2-CG 3.5Å; W581-M585 HydrophobicContact CZ2-SD 3.51Å; W581-M585 VanDerWaalsContact CZ2-SD 3.51Å; W581-M585 HydrophobicContact CZ3-CE 3.79Å; W581-M585 HydrophobicContact CZ3-CG 4.47Å; W581-M585 HydrophobicContact CZ3-SD 4.27Å; W581-M585 PolarHBondContact O-N 3Å; W581-M585 VanDerWaalsContact O-N 3.09Å; M585-Q587 PolarHBondContact O-N 3.08Å; M585-W588 HydrophobicContact CE-CB 4.13Å; M585-W588 HydrophobicContact CE-CD2 4.18Å; M585-W588 HydrophobicContact CE-CG 3.67Å; M585-W588 WeakPolarHBondContact O-CB 3.3Å; M585-W588 PolarHBondContact O-N 2.78Å; M585-W588 VanDerWaalsContact O-N 3.13Å; M585-W588 HydrophobicContact SD-CB 4.3Å; M585-W588 HydrophobicContact SD-CG 4.46Å; M585-F589 PolarHBondContact O-N 3.13Å; M585-F589 VanDerWaalsContact O-N 3.08Å |
| 586 | P | 71.3 | Confident | 70.3 | Confident | 88 Ų | 88 | 70.7 Ų | 70.7 | 57% | 0.571 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.8 | -33.3 | 174.5 | -25.5 | 36.1 | 0 | 0 | 0 | 113.1 | A590 | P586-A590 PolarHBondContact O-N 3.2Å; P586-A590 VanDerWaalsContact O-N 3.14Å |
| 587 | Q | 70.3 | Confident | 69.3 | Low | 93 Ų | 93 | 72.5 Ų | 72.5 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.1 | -36.8 | 175.6 | -55.1 | -177.2 | 4 | 0 | 0 | 110.9 | I584 M585 A590 V591 | I584-Q587 WeakPolarHBondContact O-CB 3.28Å; I584-Q587 PolarHBondContact O-N 3.39Å; M585-Q587 PolarHBondContact O-N 3.08Å; Q587-A590 PolarHBondContact O-N 2.95Å; Q587-V591 WeakPolarHBondContact O-CB 3.32Å; Q587-V591 VanDerWaalsContact O-CG2 3.28Å; Q587-V591 WeakPolarHBondContact O-CG2 3.3Å; Q587-V591 PolarHBondContact O-N 3Å |
| 588 | W | 71.3 | Confident | 67.8 | Low | 6 Ų | 6 | 69.9 Ų | 69.9 | 2% | 0.023 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63 | -45.8 | 174.5 | -77.1 | 80 | 0 | 0 | 0 | 112.5 | P538 L560 L564 I567 I584 M585 V591 M592 | P538-W588 HydrophobicContact CB-CZ2 4.31Å; L560-W588 HydrophobicContact CB-CZ3 3.78Å; L560-W588 HydrophobicContact CD2-CD2 4.44Å; L560-W588 HydrophobicContact CD2-CE3 3.64Å; L560-W588 HydrophobicContact CD2-CH2 4.02Å; L560-W588 HydrophobicContact CD2-CZ3 3.41Å; L560-W588 VanDerWaalsContact CD2-CZ3 3.41Å; L560-W588 HydrophobicContact CG-CZ3 4.2Å; L560-W588 WeakPolarHBondContact O-CH2 3.1Å; L560-W588 WeakPolarHBondContact O-CZ3 3.45Å; L564-W588 HydrophobicContact CB-CH2 3.92Å; L564-W588 HydrophobicContact CB-CZ3 3.93Å; L564-W588 HydrophobicContact CD1-CD2 4.29Å; L564-W588 HydrophobicContact CD1-CE3 3.88Å; L564-W588 HydrophobicContact CD1-CH2 3.99Å; L564-W588 HydrophobicContact CD1-CZ2 4.38Å; L564-W588 HydrophobicContact CD1-CZ3 3.7Å; L564-W588 HydrophobicContact CG-CZ3 4.44Å; I567-W588 HydrophobicContact CD1-CZ2 3.7Å; I584-W588 PolarHBondContact O-N 3.45Å; M585-W588 HydrophobicContact CE-CB 4.13Å; M585-W588 HydrophobicContact CE-CD2 4.18Å; M585-W588 HydrophobicContact CE-CG 3.67Å; M585-W588 WeakPolarHBondContact O-CB 3.3Å; M585-W588 PolarHBondContact O-N 2.78Å; M585-W588 VanDerWaalsContact O-N 3.13Å; M585-W588 HydrophobicContact SD-CB 4.3Å; M585-W588 HydrophobicContact SD-CG 4.46Å; W588-V591 PolarHBondContact O-N 3.48Å; W588-M592 VanDerWaalsContact O-CB 3.28Å; W588-M592 WeakPolarHBondContact O-CB 3.34Å; W588-M592 WeakPolarHBondContact O-CG 3.46Å; W588-M592 PolarHBondContact O-N 2.99Å |
| 589 | F | 63.8 | Low | 67 | Low | 120 Ų | 120 | 64.5 Ų | 64.5 | 53% | 0.526 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.8 | -36.2 | 177.1 | -84.2 | -67 | 0 | 0 | 0 | 113.4 | M585 M592 S593 L607 | M585-F589 PolarHBondContact O-N 3.13Å; M585-F589 VanDerWaalsContact O-N 3.08Å; F589-M592 PolarHBondContact O-N 3.3Å; F589-S593 PolarHBondContact O-N 2.93Å; F589-S593 PolarHBondContact O-OG 3.24Å; F589-L607 HydrophobicContact CE1-CD1 4.33Å; F589-L607 HydrophobicContact CZ-CD1 4.26Å |
| 590 | A | 65.8 | Low | 66.2 | Low | 51 Ų | 51 | 58.6 Ų | 58.6 | 42% | 0.421 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.7 | -57.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | P586 Q587 M592 S593 S594 | P586-A590 PolarHBondContact O-N 3.2Å; P586-A590 VanDerWaalsContact O-N 3.14Å; Q587-A590 PolarHBondContact O-N 2.95Å; A590-M592 VanDerWaalsContact C-N 3.33Å; A590-M592 PolarHBondContact O-N 3.44Å; A590-S593 WeakPolarHBondContact O-CA 3.49Å; A590-S593 PolarHBondContact O-N 3.05Å; A590-S593 PolarHBondContact O-OG 3.44Å; A590-S594 PolarHBondContact O-N 3.42Å; A590-S594 PolarHBondContact O-OG 3.07Å |
| 591 | V | 68.9 | Low | 65.2 | Low | 14 Ų | 14 | 61.1 Ų | 61.1 | 9% | 0.085 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.3 | -40.3 | 178.5 | 172.6 | 0 | 0 | 0 | 0 | 112.2 | P538 K556 L560 Q587 W588 S593 S594 E595 V596 | P538-V591 HydrophobicContact CG-CG2 4.45Å; K556-V591 HydrophobicContact CG-CG1 4.39Å; L560-V591 HydrophobicContact CD1-CG1 3.76Å; L560-V591 HydrophobicContact CD2-CG1 3.85Å; L560-V591 HydrophobicContact CG-CG1 4.36Å; Q587-V591 WeakPolarHBondContact O-CB 3.32Å; Q587-V591 VanDerWaalsContact O-CG2 3.28Å; Q587-V591 WeakPolarHBondContact O-CG2 3.3Å; Q587-V591 PolarHBondContact O-N 3Å; W588-V591 PolarHBondContact O-N 3.48Å; V591-S593 PolarHBondContact O-N 3.14Å; V591-S594 PolarHBondContact O-N 3.06Å; V591-E595 HydrophobicContact CG1-CB 4.2Å; V591-E595 PolarHBondContact O-N 3.14Å; V591-V596 PolarHBondContact O-N 2.85Å |
| 592 | M | 62.7 | Low | 64.3 | Low | 35 Ų | 35 | 58.4 Ų | 58.4 | 17% | 0.172 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.9 | -14.8 | 174.6 | -75.8 | 174.7 | 55.5 | 0 | 0 | 114.5 | W588 F589 A590 V596 L604 | W588-M592 VanDerWaalsContact O-CB 3.28Å; W588-M592 WeakPolarHBondContact O-CB 3.34Å; W588-M592 WeakPolarHBondContact O-CG 3.46Å; W588-M592 PolarHBondContact O-N 2.99Å; F589-M592 PolarHBondContact O-N 3.3Å; A590-M592 VanDerWaalsContact C-N 3.33Å; A590-M592 PolarHBondContact O-N 3.44Å; M592-V596 HydrophobicContact CB-CG2 4.47Å; M592-V596 HydrophobicContact CG-CG2 4.35Å; M592-L604 HydrophobicContact CE-CB 4.21Å; M592-L604 HydrophobicContact CE-CD1 3.88Å; M592-L604 HydrophobicContact CE-CG 4.46Å; M592-L604 HydrophobicContact CG-CD1 4.11Å; M592-L604 HydrophobicContact SD-CD1 4.4Å |
| 593 | S | 57.8 | Low | 63.5 | Low | 101 Ų | 101 | 56.6 Ų | 56.6 | 71% | 0.706 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -106.5 | -27.6 | 176.8 | 70 | 0 | 0 | 0 | 0 | 113.9 | F589 A590 V591 | F589-S593 PolarHBondContact O-N 2.93Å; F589-S593 PolarHBondContact O-OG 3.24Å; A590-S593 WeakPolarHBondContact O-CA 3.49Å; A590-S593 PolarHBondContact O-N 3.05Å; A590-S593 PolarHBondContact O-OG 3.44Å; V591-S593 PolarHBondContact O-N 3.14Å |
| 594 | S | 63 | Low | 62.6 | Low | 83 Ų | 83 | 49.8 Ų | 49.8 | 58% | 0.58 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -96.5 | -30.4 | -178.1 | 53.4 | 0 | 0 | 0 | 0 | 114.3 | A590 V591 | A590-S594 PolarHBondContact O-N 3.42Å; A590-S594 PolarHBondContact O-OG 3.07Å; V591-S594 PolarHBondContact O-N 3.06Å |
| 595 | E | 67.4 | Low | 61.4 | Low | 49 Ų | 49 | 54.5 Ų | 54.5 | 23% | 0.229 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128 | -9.3 | -165.2 | -66.7 | 158.4 | -132 | 0 | 0 | 114.2 | K556 V591 P597 C652 | K556-E595 WeakPolarHBondContact CB-O 3.24Å; K556-E595 HydrophobicContact CD-CB 3.97Å; K556-E595 VanDerWaalsContact CD-OE2 3.24Å; K556-E595 WeakPolarHBondContact CD-OE2 3.46Å; K556-E595 WeakPolarHBondContact CE-OE2 3.49Å; K556-E595 HydrophobicContact CG-CB 3.89Å; K556-E595 IonicContact NZ-OE2 2.63Å; K556-E595 PolarHBondContact NZ-OE2 3.18Å; V591-E595 HydrophobicContact CG1-CB 4.2Å; V591-E595 PolarHBondContact O-N 3.14Å; E595-P597 WeakPolarHBondContact O-CD 3.45Å; E595-C652 VanDerWaalsContact CD-CB 3.48Å; E595-C652 HydrophobicContact CG-CB 4.17Å; E595-C652 PolarHBondContact OE1-SG 3.09Å; E595-C652 VanDerWaalsContact OE1-SG 3.34Å; E595-C652 WeakPolarHBondContact OE2-CB 3.28Å; E595-C652 PolarHBondContact OE2-SG 3.18Å; E595-C652 VanDerWaalsContact OE2-SG 3.34Å |
| 596 | V | 60.4 | Low | 60.7 | Low | 12 Ų | 12 | 59 Ų | 59 | 7% | 0.073 | 33% | 0.334 | C | S | . | . | trans | -92.4 | 103.9 | 177.5 | 169.8 | 0 | 0 | 0 | 0 | 109.8 | T557 L560 V591 M592 L601 L604 | T557-V596 HydrophobicContact CG2-CB 4.05Å; T557-V596 HydrophobicContact CG2-CG1 3.6Å; T557-V596 HydrophobicContact CG2-CG2 4.12Å; L560-V596 HydrophobicContact CD1-CG2 3.2Å; V591-V596 PolarHBondContact O-N 2.85Å; M592-V596 HydrophobicContact CB-CG2 4.47Å; M592-V596 HydrophobicContact CG-CG2 4.35Å; V596-L601 HydrophobicContact CG1-CB 3.97Å; V596-L601 HydrophobicContact CG1-CD1 4.03Å; V596-L601 HydrophobicContact CG1-CG 3.89Å; V596-L604 HydrophobicContact CG1-CD1 3.7Å; V596-L604 HydrophobicContact CG2-CD1 4.37Å | ||
| 597 | P | 59.3 | Low | 59.8 | Low | 66 Ų | 66 | 59.9 Ų | 59.9 | 43% | 0.429 | 33% | 0.333 | S | S | . | . | trans | -60.5 | 143.1 | 168.1 | 25.4 | -36.1 | 0 | 0 | 0 | 111.1 | T557 E595 A599 D600 | T557-P597 HydrophobicContact CG2-CG 3.95Å; E595-P597 WeakPolarHBondContact O-CD 3.45Å; P597-A599 VanDerWaalsContact C-N 3.26Å; P597-A599 PolarHBondContact O-N 3.47Å; P597-A599 VanDerWaalsContact O-N 3.14Å; P597-D600 PolarHBondContact O-N 3.28Å | ||
| 598 | E | 47.1 | Very low | 58.9 | Low | 9 Ų | 9 | 60.3 Ų | 60.3 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -69.5 | -24.5 | -161.5 | -15 | 104.3 | -144.7 | 0 | 0 | 115.1 | D600 L601 D678 N679 T680 V683 | E598-D600 PolarHBondContact O-N 3.14Å; E598-L601 HydrophobicContact CB-CB 4.32Å; E598-L601 WeakPolarHBondContact O-CA 3.38Å; E598-L601 VanDerWaalsContact O-CB 3.23Å; E598-L601 WeakPolarHBondContact O-CB 3.32Å; E598-L601 PolarHBondContact O-N 2.98Å; E598-D678 VanDerWaalsContact OE1-CA 3.27Å; E598-D678 WeakPolarHBondContact OE1-CA 3.36Å; E598-N679 PolarHBondContact OE1-N 3.03Å; E598-N679 VanDerWaalsContact OE2-CA 3.26Å; E598-N679 WeakPolarHBondContact OE2-CA 3.18Å; E598-N679 WeakPolarHBondContact OE2-CB 3.36Å; E598-N679 PolarHBondContact OE2-N 3.43Å; E598-N679 PolarHBondContact OE2-ND2 3.41Å; E598-T680 VanDerWaalsContact CD-CA 3.46Å; E598-T680 HydrophobicContact CG-CG2 3.85Å; E598-T680 WeakPolarHBondContact CG-OG1 3.46Å; E598-T680 PolarHBondContact OE1-N 3.42Å; E598-T680 PolarHBondContact OE1-OG1 3.34Å; E598-T680 VanDerWaalsContact OE1-OG1 3.05Å; E598-T680 PolarHBondContact OE2-N 2.85Å; E598-T680 VanDerWaalsContact OE2-N 3.16Å; E598-V683 HydrophobicContact CB-CG2 4.46Å |
| 599 | A | 53.5 | Low | 57.9 | Low | 38 Ų | 38 | 67.2 Ų | 67.2 | 31% | 0.314 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -51.1 | -32.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P597 L745 | P597-A599 VanDerWaalsContact C-N 3.26Å; P597-A599 PolarHBondContact O-N 3.47Å; P597-A599 VanDerWaalsContact O-N 3.14Å; A599-L745 HydrophobicContact CB-CD1 3.6Å |
| 600 | D | 58.7 | Low | 57.3 | Low | 12 Ų | 12 | 65.5 Ų | 65.5 | 6% | 0.064 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -107.4 | -0.9 | 179 | -28.7 | -61.8 | 0 | 0 | 0 | 112.7 | K555 T557 P597 E598 I602 D603 L604 | K555-D600 WeakPolarHBondContact CD-OD2 3.27Å; K555-D600 IonicContact NZ-OD1 2.7Å; K555-D600 PolarHBondContact NZ-OD1 3.24Å; K555-D600 IonicContact NZ-OD2 2.61Å; K555-D600 PolarHBondContact NZ-OD2 3.5Å; T557-D600 VanDerWaalsContact CB-CB 3.42Å; T557-D600 WeakPolarHBondContact CB-OD2 3.3Å; T557-D600 HydrophobicContact CG2-CB 3.71Å; T557-D600 WeakPolarHBondContact CG2-OD2 3.44Å; T557-D600 VanDerWaalsContact OG1-CB 3.25Å; T557-D600 WeakPolarHBondContact OG1-CB 3.43Å; T557-D600 PolarHBondContact OG1-OD2 3.18Å; P597-D600 PolarHBondContact O-N 3.28Å; E598-D600 PolarHBondContact O-N 3.14Å; D600-I602 PolarHBondContact O-N 3.04Å; D600-D603 WeakPolarHBondContact O-CA 3.43Å; D600-D603 WeakPolarHBondContact O-CB 3.12Å; D600-D603 PolarHBondContact O-N 2.9Å; D600-L604 PolarHBondContact O-N 3.26Å |
| 601 | L | 56.6 | Low | 56.4 | Low | 61 Ų | 61 | 71.2 Ų | 71.2 | 32% | 0.319 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -23.1 | 171.4 | -146.8 | 160.3 | 0 | 0 | 0 | 110.3 | V596 E598 D603 L604 | V596-L601 HydrophobicContact CG1-CB 3.97Å; V596-L601 HydrophobicContact CG1-CD1 4.03Å; V596-L601 HydrophobicContact CG1-CG 3.89Å; E598-L601 HydrophobicContact CB-CB 4.32Å; E598-L601 WeakPolarHBondContact O-CA 3.38Å; E598-L601 VanDerWaalsContact O-CB 3.23Å; E598-L601 WeakPolarHBondContact O-CB 3.32Å; E598-L601 PolarHBondContact O-N 2.98Å; L601-D603 VanDerWaalsContact C-N 3.31Å; L601-L604 HydrophobicContact CG-CD1 4.42Å; L601-L604 WeakPolarHBondContact O-CB 3.4Å; L601-L604 PolarHBondContact O-N 2.95Å |
| 602 | I | 56 | Low | 55.5 | Low | 57 Ų | 57 | 77.4 Ų | 77.4 | 29% | 0.292 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -34.8 | 163.7 | -66.2 | 175.5 | 0 | 0 | 0 | 111.7 | D600 L604 K605 | D600-I602 PolarHBondContact O-N 3.04Å; I602-L604 PolarHBondContact O-N 3.5Å; I602-K605 HydrophobicContact CG2-CD 4.24Å; I602-K605 WeakPolarHBondContact O-CB 3.18Å; I602-K605 WeakPolarHBondContact O-CG 3.44Å; I602-K605 PolarHBondContact O-N 3.47Å |
| 603 | D | 56.5 | Low | 55.2 | Low | 91 Ų | 91 | 81.8 Ų | 81.8 | 49% | 0.487 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -16.2 | 176.6 | -60.2 | -30.1 | 0 | 0 | 0 | 112.1 | K561 D600 L601 K605 | K561-D603 VanDerWaalsContact CE-CB 3.4Å; K561-D603 WeakPolarHBondContact CE-OD2 3.44Å; K561-D603 IonicContact NZ-OD2 3.77Å; K561-D603 PolarHBondContact NZ-OD2 2.89Å; D600-D603 WeakPolarHBondContact O-CA 3.43Å; D600-D603 WeakPolarHBondContact O-CB 3.12Å; D600-D603 PolarHBondContact O-N 2.9Å; L601-D603 VanDerWaalsContact C-N 3.31Å; D603-K605 PolarHBondContact O-N 3.38Å |
| 604 | L | 57.9 | Low | 55.1 | Low | 22 Ų | 22 | 81.3 Ų | 81.3 | 12% | 0.115 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 6 | 171.2 | -61.3 | 167.5 | 0 | 0 | 0 | 112.6 | M592 V596 D600 L601 I602 L606 | M592-L604 HydrophobicContact CE-CB 4.21Å; M592-L604 HydrophobicContact CE-CD1 3.88Å; M592-L604 HydrophobicContact CE-CG 4.46Å; M592-L604 HydrophobicContact CG-CD1 4.11Å; M592-L604 HydrophobicContact SD-CD1 4.4Å; V596-L604 HydrophobicContact CG1-CD1 3.7Å; V596-L604 HydrophobicContact CG2-CD1 4.37Å; D600-L604 PolarHBondContact O-N 3.26Å; L601-L604 HydrophobicContact CG-CD1 4.42Å; L601-L604 WeakPolarHBondContact O-CB 3.4Å; L601-L604 PolarHBondContact O-N 2.95Å; I602-L604 PolarHBondContact O-N 3.5Å; L604-L606 PolarHBondContact O-N 2.86Å |
| 605 | K | 52.8 | Low | 55.2 | Low | 106 Ų | 106 | 80.9 Ų | 80.9 | 46% | 0.461 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -60.3 | 1.8 | 177.2 | -86.6 | -174.3 | 176.1 | -175.1 | 0 | 116.6 | I602 D603 L607 T608 | I602-K605 HydrophobicContact CG2-CD 4.24Å; I602-K605 WeakPolarHBondContact O-CB 3.18Å; I602-K605 WeakPolarHBondContact O-CG 3.44Å; I602-K605 PolarHBondContact O-N 3.47Å; D603-K605 PolarHBondContact O-N 3.38Å; K605-L607 PolarHBondContact O-N 2.91Å; K605-T608 PolarHBondContact O-N 3.15Å; K605-T608 PolarHBondContact O-OG1 3.23Å |
| 606 | L | 54.3 | Low | 55 | Low | 126 Ų | 126 | 80.2 Ų | 80.2 | 66% | 0.66 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -47.5 | -21.1 | 167.4 | -88.9 | 152.7 | 0 | 0 | 0 | 114 | L604 | L604-L606 PolarHBondContact O-N 2.86Š|
| 607 | L | 51.9 | Low | 55 | Low | 106 Ų | 106 | 84.3 Ų | 84.3 | 56% | 0.555 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -83.1 | -33 | 172.8 | -78.4 | 161.4 | 0 | 0 | 0 | 115.2 | F589 K605 V610 | F589-L607 HydrophobicContact CE1-CD1 4.33Å; F589-L607 HydrophobicContact CZ-CD1 4.26Å; K605-L607 PolarHBondContact O-N 2.91Å; L607-V610 WeakPolarHBondContact O-CB 3.26Å; L607-V610 PolarHBondContact O-N 2.94Å |
| 608 | T | 50.5 | Low | 55.2 | Low | 101 Ų | 101 | 86.1 Ų | 86.1 | 62% | 0.62 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -18.3 | -176.3 | 45 | 0 | 0 | 0 | 0 | 114.1 | K605 V610 | K605-T608 PolarHBondContact O-N 3.15Å; K605-T608 PolarHBondContact O-OG1 3.23Å; T608-V610 PolarHBondContact O-N 2.69Å |
| 609 | D | 51.4 | Low | 56.2 | Low | 152 Ų | 152 | 86.2 Ų | 86.2 | 81% | 0.813 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 14.5 | 170.2 | -81.2 | -25.8 | 0 | 0 | 0 | 112.6 | ||
| 610 | V | 51.2 | Low | 57 | Low | 84 Ų | 84 | 87 Ų | 87 | 51% | 0.509 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -121.8 | 117.9 | -179.9 | -168.6 | 0 | 0 | 0 | 0 | 110.6 | L607 T608 I612 | L607-V610 WeakPolarHBondContact O-CB 3.26Å; L607-V610 PolarHBondContact O-N 2.94Å; T608-V610 PolarHBondContact O-N 2.69Å; V610-I612 PolarHBondContact O-N 2.84Å |
| 611 | D | 47.5 | Very low | 57.3 | Low | 171 Ų | 171 | 89.5 Ų | 89.5 | 91% | 0.914 | 49% | 0.493 | S | S | * | . | trans | -70 | 109.3 | -170 | -69.3 | -56 | 0 | 0 | 0 | 115.2 | ||||
| 612 | I | 50.1 | Low | 57.8 | Low | 144 Ų | 144 | 91.7 Ų | 91.7 | 74% | 0.738 | 50% | 0.504 | S | S | * | . | trans | -144.2 | 151.1 | 177.4 | -47.5 | 178.9 | 0 | 0 | 0 | 111.7 | V610 | V610-I612 PolarHBondContact O-N 2.84Š| ||
| 613 | V | 55.5 | Low | 58.6 | Low | 127 Ų | 127 | 89.3 Ų | 89.3 | 77% | 0.77 | 49% | 0.492 | S | S | * | . | trans | -118.9 | 142.8 | -165.8 | 178.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 614 | I | 56.7 | Low | 59 | Low | 91 Ų | 91 | 88.6 Ų | 88.6 | 47% | 0.467 | 49% | 0.485 | S | S | . | . | trans | -146.6 | 141.4 | -173.5 | -48.1 | 177.2 | 0 | 0 | 0 | 114.4 | Q695 | I614-Q695 PolarHBondContact O-OE1 2.98Š| ||
| 615 | P | 63.2 | Low | 59.5 | Low | 74 Ų | 74 | 91.1 Ų | 91.1 | 48% | 0.481 | 50% | 0.501 | S | S | . | . | trans | -83.6 | 150.4 | -176.3 | -15.3 | 32.4 | 0 | 0 | 0 | 120.1 | I618 L619 | P615-I618 HydrophobicContact CB-CD1 4.27Å; P615-I618 HydrophobicContact CG-CD1 4.11Å; P615-L619 PolarHBondContact O-N 3.02Å; P615-L619 VanDerWaalsContact O-N 3.11Å | ||
| 616 | L | 64 | Low | 60.1 | Low | 34 Ų | 34 | 86.8 Ų | 86.8 | 18% | 0.178 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -65.6 | -47.4 | -171.7 | -122.9 | 165.1 | 0 | 0 | 0 | 117.8 | I618 L619 L620 L692 Q695 M696 | L616-I618 VanDerWaalsContact C-N 3.3Å; L616-I618 PolarHBondContact O-N 3.38Å; L616-L619 WeakPolarHBondContact O-CB 3.14Å; L616-L619 PolarHBondContact O-N 3.13Å; L616-L620 HydrophobicContact CD2-CD1 3.97Å; L616-L620 HydrophobicContact CD2-CG 4.21Å; L616-L620 PolarHBondContact O-N 2.86Å; L616-L692 HydrophobicContact CD2-CD1 3.51Å; L616-Q695 HydrophobicContact CD1-CB 4.34Å; L616-Q695 HydrophobicContact CG-CB 3.96Å; L616-M696 HydrophobicContact CD1-CG 4.11Å; L616-M696 HydrophobicContact CD2-CG 4.36Å |
| 617 | P | 59.6 | Low | 60.5 | Low | 99 Ų | 99 | 80.9 Ų | 80.9 | 64% | 0.643 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -70.5 | -27.6 | 179.6 | -21.4 | 34.7 | 0 | 0 | 0 | 113.3 | S621 | P617-S621 WeakPolarHBondContact O-CB 3.2Å; P617-S621 PolarHBondContact O-N 3.46Å; P617-S621 PolarHBondContact O-OG 3.38Å; P617-S621 VanDerWaalsContact O-OG 3.11Å |
| 618 | I | 64.6 | Low | 60.9 | Low | 104 Ų | 104 | 79 Ų | 79 | 53% | 0.533 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.9 | -43.5 | 171.2 | -60.8 | 175.8 | 0 | 0 | 0 | 108.8 | P615 L616 S621 L622 | P615-I618 HydrophobicContact CB-CD1 4.27Å; P615-I618 HydrophobicContact CG-CD1 4.11Å; L616-I618 VanDerWaalsContact C-N 3.3Å; L616-I618 PolarHBondContact O-N 3.38Å; I618-S621 PolarHBondContact O-OG 3.27Å; I618-S621 VanDerWaalsContact O-OG 3.12Å; I618-L622 VanDerWaalsContact O-CB 3.28Å; I618-L622 WeakPolarHBondContact O-CB 3.47Å; I618-L622 PolarHBondContact O-N 3.1Å |
| 619 | L | 67.8 | Low | 61.5 | Low | 11 Ų | 11 | 78.5 Ų | 78.5 | 6% | 0.058 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -60.3 | -54.2 | 174.3 | -170.3 | 75 | 0 | 0 | 0 | 111.7 | P615 L616 S621 L622 M623 I691 L692 | P615-L619 PolarHBondContact O-N 3.02Å; P615-L619 VanDerWaalsContact O-N 3.11Å; L616-L619 WeakPolarHBondContact O-CB 3.14Å; L616-L619 PolarHBondContact O-N 3.13Å; L619-S621 VanDerWaalsContact C-N 3.33Å; L619-S621 PolarHBondContact O-N 3.15Å; L619-L622 CarbonylContact O-C 3.08Å; L619-L622 WeakPolarHBondContact O-CA 3.42Å; L619-L622 VanDerWaalsContact O-CB 3.29Å; L619-L622 WeakPolarHBondContact O-CB 3.41Å; L619-L622 PolarHBondContact O-N 3.4Å; L619-L622 VanDerWaalsContact O-N 3.11Å; L619-M623 HydrophobicContact CG-CG 4.48Å; L619-M623 VanDerWaalsContact O-CG 3.28Å; L619-M623 WeakPolarHBondContact O-CG 3.42Å; L619-M623 PolarHBondContact O-N 2.62Å; L619-I691 HydrophobicContact CD1-CB 4.32Å; L619-I691 HydrophobicContact CD1-CG2 3.7Å; L619-I691 HydrophobicContact CD2-CB 4.25Å; L619-I691 HydrophobicContact CD2-CG2 3.69Å; L619-I691 HydrophobicContact CG-CG2 4.35Å; L619-L692 HydrophobicContact CD2-CB 3.96Å; L619-L692 HydrophobicContact CD2-CD1 4.08Å |
| 620 | L | 69.9 | Low | 62.1 | Low | 53 Ų | 53 | 71.6 Ų | 71.6 | 28% | 0.277 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.4 | -33.5 | -177.9 | -78 | 171.3 | 0 | 0 | 0 | 113.6 | L616 M623 K624 L692 | L616-L620 HydrophobicContact CD2-CD1 3.97Å; L616-L620 HydrophobicContact CD2-CG 4.21Å; L616-L620 PolarHBondContact O-N 2.86Å; L620-M623 HydrophobicContact CD2-SD 4.11Å; L620-M623 PolarHBondContact O-N 3.14Å; L620-K624 PolarHBondContact O-N 3.24Å; L620-L692 HydrophobicContact CD1-CD1 4.39Å; L620-L692 HydrophobicContact CD2-CD1 3.6Å; L620-L692 HydrophobicContact CD2-CD2 4.16Å; L620-L692 HydrophobicContact CG-CD1 3.84Å |
| 621 | S | 66.4 | Low | 62.2 | Low | 66 Ų | 66 | 71 Ų | 71 | 46% | 0.462 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -71.6 | -38.7 | 173.2 | 69 | 0 | 0 | 0 | 0 | 111.6 | P617 I618 L619 M623 K624 T625 | P617-S621 WeakPolarHBondContact O-CB 3.2Å; P617-S621 PolarHBondContact O-N 3.46Å; P617-S621 PolarHBondContact O-OG 3.38Å; P617-S621 VanDerWaalsContact O-OG 3.11Å; I618-S621 PolarHBondContact O-OG 3.27Å; I618-S621 VanDerWaalsContact O-OG 3.12Å; L619-S621 VanDerWaalsContact C-N 3.33Å; L619-S621 PolarHBondContact O-N 3.15Å; S621-M623 VanDerWaalsContact C-N 3.3Å; S621-M623 PolarHBondContact O-N 3.4Å; S621-K624 PolarHBondContact O-N 3.46Å; S621-T625 VanDerWaalsContact O-CB 3.31Å; S621-T625 WeakPolarHBondContact O-CB 3.19Å; S621-T625 PolarHBondContact O-N 3.46Å; S621-T625 PolarHBondContact O-OG1 3.24Å |
| 622 | L | 66.8 | Low | 62.5 | Low | 107 Ų | 107 | 70.1 Ų | 70.1 | 56% | 0.56 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59.2 | -40.2 | 168.4 | -157.5 | 84.5 | 0 | 0 | 0 | 111.1 | I618 L619 T625 A626 | I618-L622 VanDerWaalsContact O-CB 3.28Å; I618-L622 WeakPolarHBondContact O-CB 3.47Å; I618-L622 PolarHBondContact O-N 3.1Å; L619-L622 CarbonylContact O-C 3.08Å; L619-L622 WeakPolarHBondContact O-CA 3.42Å; L619-L622 VanDerWaalsContact O-CB 3.29Å; L619-L622 WeakPolarHBondContact O-CB 3.41Å; L619-L622 PolarHBondContact O-N 3.4Å; L619-L622 VanDerWaalsContact O-N 3.11Å; L622-T625 PolarHBondContact O-N 2.83Å; L622-A626 VanDerWaalsContact O-CB 3.23Å; L622-A626 WeakPolarHBondContact O-CB 3.36Å; L622-A626 PolarHBondContact O-N 3.27Å |
| 623 | M | 71.9 | Confident | 62.1 | Low | 7 Ų | 7 | 68.7 Ų | 68.7 | 3% | 0.034 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.9 | -48.7 | 175.6 | -61.6 | -166.7 | 68.8 | 0 | 0 | 112.7 | L619 L620 S621 T625 A626 A627 M688 L689 L692 | L619-M623 HydrophobicContact CG-CG 4.48Å; L619-M623 VanDerWaalsContact O-CG 3.28Å; L619-M623 WeakPolarHBondContact O-CG 3.42Å; L619-M623 PolarHBondContact O-N 2.62Å; L620-M623 HydrophobicContact CD2-SD 4.11Å; L620-M623 PolarHBondContact O-N 3.14Å; S621-M623 VanDerWaalsContact C-N 3.3Å; S621-M623 PolarHBondContact O-N 3.4Å; M623-T625 VanDerWaalsContact C-N 3.32Å; M623-T625 PolarHBondContact O-N 2.71Å; M623-A626 PolarHBondContact O-N 3.3Å; M623-A627 WeakPolarHBondContact O-CB 3.2Å; M623-A627 PolarHBondContact O-N 3.12Å; M623-M688 HydrophobicContact CB-CE 3.81Å; M623-M688 HydrophobicContact CE-CB 3.77Å; M623-M688 HydrophobicContact CG-CB 4.17Å; M623-M688 HydrophobicContact CG-CE 3.53Å; M623-M688 HydrophobicContact SD-CB 4.19Å; M623-L689 HydrophobicContact CE-CD2 4.38Å; M623-L692 HydrophobicContact SD-CB 4.22Å; M623-L692 HydrophobicContact SD-CD1 4.42Å; M623-L692 HydrophobicContact SD-CD2 4.01Å; M623-L692 HydrophobicContact SD-CG 4.46Å |
| 624 | K | 66.2 | Low | 61.2 | Low | 76 Ų | 76 | 70.8 Ų | 70.8 | 33% | 0.33 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 177.2 | -175.4 | 165.1 | -175.2 | 129.6 | 0 | 111.8 | L620 S621 A627 L628 E721 | L620-K624 PolarHBondContact O-N 3.24Å; S621-K624 PolarHBondContact O-N 3.46Å; K624-A627 PolarHBondContact O-N 3.34Å; K624-L628 HydrophobicContact CG-CD1 3.9Å; K624-L628 HydrophobicContact CG-CG 4.28Å; K624-L628 VanDerWaalsContact O-CB 3.31Å; K624-L628 WeakPolarHBondContact O-CB 3.16Å; K624-L628 VanDerWaalsContact O-CG 3.23Å; K624-L628 WeakPolarHBondContact O-CG 3.29Å; K624-L628 PolarHBondContact O-N 2.94Å; K624-E721 VanDerWaalsContact CE-OE2 3.27Å; K624-E721 WeakPolarHBondContact CE-OE2 3.35Å; K624-E721 IonicContact NZ-OE1 2.67Å; K624-E721 PolarHBondContact NZ-OE1 3.13Å; K624-E721 IonicContact NZ-OE2 2.79Å; K624-E721 PolarHBondContact NZ-OE2 3.38Å |
| 625 | T | 67.9 | Low | 60.3 | Low | 74 Ų | 74 | 70.2 Ų | 70.2 | 45% | 0.454 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.4 | -42.6 | 178.3 | -54.3 | 0 | 0 | 0 | 0 | 110.8 | S621 L622 M623 L628 N629 | S621-T625 VanDerWaalsContact O-CB 3.31Å; S621-T625 WeakPolarHBondContact O-CB 3.19Å; S621-T625 PolarHBondContact O-N 3.46Å; S621-T625 PolarHBondContact O-OG1 3.24Å; L622-T625 PolarHBondContact O-N 2.83Å; M623-T625 VanDerWaalsContact C-N 3.32Å; M623-T625 PolarHBondContact O-N 2.71Å; T625-L628 PolarHBondContact O-N 3.18Å; T625-N629 WeakPolarHBondContact O-CB 3.47Å; T625-N629 PolarHBondContact O-N 3.45Å; T625-N629 PolarHBondContact O-ND2 3.08Å; T625-N629 PolarHBondContact O-OD1 3.33Å |
| 626 | A | 64.3 | Low | 58.9 | Low | 16 Ų | 16 | 73.3 Ų | 73.3 | 13% | 0.132 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61 | -48.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L622 M623 L628 N629 V630 M684 M688 | L622-A626 VanDerWaalsContact O-CB 3.23Å; L622-A626 WeakPolarHBondContact O-CB 3.36Å; L622-A626 PolarHBondContact O-N 3.27Å; M623-A626 PolarHBondContact O-N 3.3Å; A626-L628 PolarHBondContact O-N 2.85Å; A626-N629 PolarHBondContact O-N 2.69Å; A626-V630 VanDerWaalsContact O-CG2 3.29Å; A626-V630 WeakPolarHBondContact O-CG2 3.24Å; A626-V630 PolarHBondContact O-N 2.68Å; A626-M684 HydrophobicContact CB-CE 3.84Å; A626-M688 HydrophobicContact CB-CE 3.82Å |
| 627 | A | 62.5 | Low | 57.4 | Low | 1 Ų | 1 | 79.9 Ų | 79.9 | 1% | 0.008 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M623 K624 V630 L631 F685 V722 C725 | M623-A627 WeakPolarHBondContact O-CB 3.2Å; M623-A627 PolarHBondContact O-N 3.12Å; K624-A627 PolarHBondContact O-N 3.34Å; A627-V630 PolarHBondContact O-N 3.3Å; A627-L631 WeakPolarHBondContact O-CB 3.21Å; A627-L631 WeakPolarHBondContact O-CG 3.35Å; A627-L631 PolarHBondContact O-N 3.4Å; A627-F685 HydrophobicContact CB-CE1 4.36Å; A627-F685 HydrophobicContact CB-CZ 4.43Å; A627-V722 HydrophobicContact CB-CG2 4.05Å; A627-C725 PolarHBondContact O-SG 2.73Å |
| 628 | L | 61.9 | Low | 56.1 | Low | 67 Ų | 67 | 81 Ų | 81 | 35% | 0.351 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.8 | -38.1 | 175.7 | -73.8 | 173.5 | 0 | 0 | 0 | 112.7 | K624 T625 A626 L631 Q632 | K624-L628 HydrophobicContact CG-CD1 3.9Å; K624-L628 HydrophobicContact CG-CG 4.28Å; K624-L628 VanDerWaalsContact O-CB 3.31Å; K624-L628 WeakPolarHBondContact O-CB 3.16Å; K624-L628 VanDerWaalsContact O-CG 3.23Å; K624-L628 WeakPolarHBondContact O-CG 3.29Å; K624-L628 PolarHBondContact O-N 2.94Å; T625-L628 PolarHBondContact O-N 3.18Å; A626-L628 PolarHBondContact O-N 2.85Å; L628-L631 HydrophobicContact CD2-CD1 4.49Å; L628-L631 PolarHBondContact O-N 3.09Å; L628-Q632 WeakPolarHBondContact O-CB 3.34Å; L628-Q632 WeakPolarHBondContact O-CG 3.38Å; L628-Q632 PolarHBondContact O-N 3.43Å |
| 629 | N | 63.1 | Low | 54.4 | Low | 90 Ų | 90 | 82.3 Ų | 82.3 | 48% | 0.481 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 174.6 | -70.6 | -6.6 | 0 | 0 | 0 | 110.1 | T625 A626 L631 Q632 L633 | T625-N629 WeakPolarHBondContact O-CB 3.47Å; T625-N629 PolarHBondContact O-N 3.45Å; T625-N629 PolarHBondContact O-ND2 3.08Å; T625-N629 PolarHBondContact O-OD1 3.33Å; A626-N629 PolarHBondContact O-N 2.69Å; N629-L631 VanDerWaalsContact C-N 3.29Å; N629-L631 PolarHBondContact O-N 2.96Å; N629-Q632 PolarHBondContact O-N 3.48Å; N629-L633 WeakPolarHBondContact O-CD1 3.43Å; N629-L633 PolarHBondContact O-N 2.95Å |
| 630 | V | 62.8 | Low | 52.5 | Low | 8 Ų | 8 | 87.3 Ų | 87.3 | 5% | 0.048 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -61.4 | -35.5 | 176 | 175.2 | 0 | 0 | 0 | 0 | 112.1 | A626 A627 Q632 N681 F685 C725 P726 Y728 | A626-V630 VanDerWaalsContact O-CG2 3.29Å; A626-V630 WeakPolarHBondContact O-CG2 3.24Å; A626-V630 PolarHBondContact O-N 2.68Å; A627-V630 PolarHBondContact O-N 3.3Å; V630-Q632 VanDerWaalsContact C-N 3.33Å; V630-N681 HydrophobicContact CG1-CB 4.41Å; V630-N681 HydrophobicContact CG2-CB 4.35Å; V630-N681 WeakPolarHBondContact CG2-OD1 3.49Å; V630-F685 HydrophobicContact CG2-CZ 4.48Å; V630-C725 HydrophobicContact CG1-CB 4.19Å; V630-P726 HydrophobicContact CG1-CG 4.21Å; V630-Y728 HydrophobicContact CG1-CD2 4.37Å; V630-Y728 HydrophobicContact CG1-CE2 4.14Å |
| 631 | L | 54 | Low | 50.3 | Low | 72 Ų | 72 | 91.3 Ų | 91.3 | 38% | 0.377 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.9 | -20.3 | 173.8 | -81.2 | 161.6 | 0 | 0 | 0 | 114.3 | A627 L628 N629 C725 | A627-L631 WeakPolarHBondContact O-CB 3.21Å; A627-L631 WeakPolarHBondContact O-CG 3.35Å; A627-L631 PolarHBondContact O-N 3.4Å; L628-L631 HydrophobicContact CD2-CD1 4.49Å; L628-L631 PolarHBondContact O-N 3.09Å; N629-L631 VanDerWaalsContact C-N 3.29Å; N629-L631 PolarHBondContact O-N 2.96Å; L631-C725 HydrophobicContact CG-CB 4.44Å |
| 632 | Q | 52.3 | Low | 48.4 | Very low | 151 Ų | 151 | 92.4 Ų | 92.4 | 71% | 0.706 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -95.6 | -8.9 | -177.4 | -77.1 | -176.6 | 12 | 0 | 0 | 114.2 | L628 N629 V630 E634 | L628-Q632 WeakPolarHBondContact O-CB 3.34Å; L628-Q632 WeakPolarHBondContact O-CG 3.38Å; L628-Q632 PolarHBondContact O-N 3.43Å; N629-Q632 PolarHBondContact O-N 3.48Å; V630-Q632 VanDerWaalsContact C-N 3.33Å; Q632-E634 PolarHBondContact O-N 2.76Å |
| 633 | L | 43.4 | Very low | 46.4 | Very low | 115 Ų | 115 | 96.7 Ų | 96.7 | 60% | 0.602 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -69.8 | 118.4 | 167.4 | -87.8 | 107.9 | 0 | 0 | 0 | 109.5 | N629 Y728 | N629-L633 WeakPolarHBondContact O-CD1 3.43Å; N629-L633 PolarHBondContact O-N 2.95Å; L633-Y728 PolarHBondContact O-OH 3.23Å |
| 634 | E | 34.9 | Very low | 44.1 | Very low | 170 Ų | 170 | 99.9 Ų | 99.9 | 79% | 0.794 | 57% | 0.566 | S | S | * | * | trans | -66.4 | 145.2 | 171.5 | -76.2 | -166.9 | 155 | 0 | 0 | 110.9 | Q632 T636 | Q632-E634 PolarHBondContact O-N 2.76Å; E634-T636 PolarHBondContact O-N 3.48Å | ||
| 635 | P | 39 | Very low | 42.2 | Very low | 79 Ų | 79 | 103.7 Ų | 103.7 | 51% | 0.513 | 59% | 0.586 | S | S | . | * | trans | -71 | 101.3 | 179.4 | 29.3 | -34.5 | 0 | 0 | 0 | 110.9 | F637 | P635-F637 VanDerWaalsContact C-N 3.26Å; P635-F637 HydrophobicContact CB-CD2 4.25Å; P635-F637 HydrophobicContact CB-CE2 3.91Å; P635-F637 HydrophobicContact CB-CZ 4.44Å; P635-F637 HydrophobicContact CG-CD2 4.39Å; P635-F637 HydrophobicContact CG-CE2 3.83Å; P635-F637 VanDerWaalsContact O-CD2 3.32Å; P635-F637 WeakPolarHBondContact O-CD2 3.26Å; P635-F637 PolarHBondContact O-N 3.2Å | ||
| 636 | T | 33.7 | Very low | 40.1 | Very low | 140 Ų | 140 | 107.7 Ų | 107.7 | 86% | 0.859 | 60% | 0.599 | S | S | * | * | trans | -69 | 82.3 | 167.3 | 36.9 | 0 | 0 | 0 | 0 | 110.5 | E634 P638 | E634-T636 PolarHBondContact O-N 3.48Å; T636-P638 WeakPolarHBondContact O-CD 3.5Å | ||
| 637 | F | 31.9 | Very low | 38.3 | Very low | 171 Ų | 171 | 112.4 Ų | 112.4 | 75% | 0.75 | 63% | 0.626 | S | S | * | * | trans | -59.8 | 124.6 | 169.3 | -71.8 | -83.8 | 0 | 0 | 0 | 109.8 | P635 T639 | P635-F637 VanDerWaalsContact C-N 3.26Å; P635-F637 HydrophobicContact CB-CD2 4.25Å; P635-F637 HydrophobicContact CB-CE2 3.91Å; P635-F637 HydrophobicContact CB-CZ 4.44Å; P635-F637 HydrophobicContact CG-CD2 4.39Å; P635-F637 HydrophobicContact CG-CE2 3.83Å; P635-F637 VanDerWaalsContact O-CD2 3.32Å; P635-F637 WeakPolarHBondContact O-CD2 3.26Å; P635-F637 PolarHBondContact O-N 3.2Å; F637-T639 PolarHBondContact O-N 2.99Å; F637-T639 VanDerWaalsContact O-N 3.13Å | ||
| 638 | P | 32.6 | Very low | 36.8 | Very low | 122 Ų | 122 | 121.2 Ų | 121.2 | 79% | 0.792 | 67% | 0.667 | S | S | * | * | trans | -68.1 | 114.1 | 176 | 26.5 | -32.6 | 0 | 0 | 0 | 109.6 | T636 | T636-P638 WeakPolarHBondContact O-CD 3.5Š| ||
| 639 | T | 29 | Very low | 35.2 | Very low | 132 Ų | 132 | 121 Ų | 121 | 81% | 0.81 | 68% | 0.68 | S | S | * | * | trans | -64.2 | 131.6 | 173.7 | 25.7 | 0 | 0 | 0 | 0 | 110.3 | F637 C641 | F637-T639 PolarHBondContact O-N 2.99Å; F637-T639 VanDerWaalsContact O-N 3.13Å; T639-C641 PolarHBondContact O-N 3.15Å; T639-C641 VanDerWaalsContact O-N 3.16Å | ||
| 640 | P | 28.5 | Very low | 33.6 | Very low | 117 Ų | 117 | 123.6 Ų | 123.6 | 76% | 0.76 | 69% | 0.694 | S | S | * | * | trans | -70.6 | 115.1 | -178.7 | 27.5 | -33.4 | 0 | 0 | 0 | 110.6 | A642 | P640-A642 PolarHBondContact O-N 3.39Š| ||
| 641 | C | 22.3 | Very low | 32.2 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 93% | 0.926 | 72% | 0.718 | S | S | * | * | trans | 7.9 | 90.4 | 168.5 | -168.4 | 0 | 0 | 0 | 0 | 116.3 | T639 | T639-C641 PolarHBondContact O-N 3.15Å; T639-C641 VanDerWaalsContact O-N 3.16Å | ||
| 642 | A | 26.9 | Very low | 30.9 | Very low | 89 Ų | 89 | 127.4 Ų | 127.4 | 74% | 0.736 | 72% | 0.719 | S | S | * | * | trans | -129.9 | 68.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P640 | P640-A642 PolarHBondContact O-N 3.39Š| ||
| 643 | K | 25.1 | Very low | 29.8 | Very low | 196 Ų | 196 | 122.8 Ų | 122.8 | 85% | 0.852 | 70% | 0.697 | S | S | * | * | trans | 72.7 | 159.4 | 165.3 | -51.8 | 172.2 | 177.7 | 174.5 | 0 | 116.3 | ||||
| 644 | A | 23.5 | Very low | 29.1 | Very low | 74 Ų | 74 | 120.4 Ų | 120.4 | 61% | 0.612 | 69% | 0.69 | S | S | * | * | trans | 33.9 | 123 | 137.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 645 | E | 25.3 | Very low | 28.7 | Very low | 157 Ų | 157 | 112.5 Ų | 112.5 | 73% | 0.734 | 65% | 0.653 | S | S | * | * | cis | -171.7 | 155.7 | 25.1 | -112.8 | 145 | -162.5 | 0 | 0 | 106.2 | ||||
| 646 | E | 24.9 | Very low | 28.4 | Very low | 158 Ų | 158 | 110.3 Ų | 110.3 | 74% | 0.738 | 64% | 0.637 | S | S | * | * | trans | 61.4 | 127.6 | 134 | -62.1 | 176.9 | 169.8 | 0 | 0 | 118.8 | ||||
| 647 | V | 26.5 | Very low | 28.2 | Very low | 114 Ų | 114 | 104.7 Ų | 104.7 | 69% | 0.691 | 60% | 0.6 | S | S | * | * | 61.7 | 90.4 | 107.7 | 180 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 648 | E | 30.2 | Very low | 28.3 | Very low | 186 Ų | 186 | 97.5 Ų | 97.5 | 87% | 0.869 | 58% | 0.575 | S | S | * | * | -172.9 | 152.5 | 64.1 | -87.8 | 136 | -172.1 | 0 | 0 | 105.3 | |||||
| 649 | G | 28.7 | Very low | 28.2 | Very low | 62 Ų | 62 | 97 Ų | 97 | 64% | 0.639 | 57% | 0.574 | S | S | * | * | cis | 161.7 | 175.8 | 18.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 650 | D | 30.4 | Very low | 28.6 | Very low | 145 Ų | 145 | 95.7 Ų | 95.7 | 78% | 0.775 | 56% | 0.561 | S | S | * | * | trans | 63.2 | 81.6 | 175.6 | -58.8 | -24.5 | 0 | 0 | 0 | 114.9 | ||||
| 651 | N | 32.1 | Very low | 28.8 | Very low | 103 Ų | 103 | 97.2 Ų | 97.2 | 55% | 0.551 | 56% | 0.561 | S | S | * | * | 62.5 | 65.9 | 66.8 | -47.7 | -53.7 | 0 | 0 | 0 | 111.8 | E653 | N651-E653 HydrophobicContact CB-CG 4.13Š| |||
| 652 | C | 28 | Very low | 29.5 | Very low | 57 Ų | 57 | 96.5 Ų | 96.5 | 39% | 0.385 | 55% | 0.547 | S | S | . | . | trans | -133.4 | 66.8 | 145.7 | -82.2 | 0 | 0 | 0 | 0 | 106.4 | E539 E595 S654 | E539-C652 VanDerWaalsContact CD-SG 3.57Å; E539-C652 VanDerWaalsContact OE1-CA 3.25Å; E539-C652 WeakPolarHBondContact OE1-CA 3.43Å; E539-C652 PolarHBondContact OE1-SG 3.21Å; E539-C652 VanDerWaalsContact OE1-SG 3.38Å; E595-C652 VanDerWaalsContact CD-CB 3.48Å; E595-C652 HydrophobicContact CG-CB 4.17Å; E595-C652 PolarHBondContact OE1-SG 3.09Å; E595-C652 VanDerWaalsContact OE1-SG 3.34Å; E595-C652 WeakPolarHBondContact OE2-CB 3.28Å; E595-C652 PolarHBondContact OE2-SG 3.18Å; E595-C652 VanDerWaalsContact OE2-SG 3.34Å; C652-S654 PolarHBondContact O-N 2.98Å | ||
| 653 | E | 27.8 | Very low | 29.7 | Very low | 55 Ų | 55 | 97.7 Ų | 97.7 | 26% | 0.257 | 55% | 0.548 | S | S | . | . | 46.1 | 63.1 | 80.6 | -59.2 | -163.7 | 125.5 | 0 | 0 | 109.9 | E539 R545 K556 Q559 N651 | E539-E653 WeakPolarHBondContact OE1-CB 3.32Å; E539-E653 VanDerWaalsContact OE1-O 3.06Å; R545-E653 IonicContact CZ-OE1 3.15Å; R545-E653 IonicContact CZ-OE2 3.23Å; R545-E653 IonicContact NH1-OE1 3.85Å; R545-E653 PolarHBondContact NH1-OE1 3.08Å; R545-E653 IonicContact NH1-OE2 3.89Å; R545-E653 PolarHBondContact NH1-OE2 3.35Å; R545-E653 IonicContact NH2-OE1 2.67Å; R545-E653 IonicContact NH2-OE2 2.86Å; R545-E653 PolarHBondContact NH2-OE2 3.36Å; K556-E653 WeakPolarHBondContact CE-O 3.14Å; K556-E653 PolarHBondContact NZ-O 3.04Å; Q559-E653 PolarHBondContact NE2-O 3.43Å; Q559-E653 PolarHBondContact OE1-O 3.12Å; N651-E653 HydrophobicContact CB-CG 4.13Å | |||
| 654 | S | 28.8 | Very low | 29.6 | Very low | 64 Ų | 64 | 91.1 Ų | 91.1 | 45% | 0.448 | 54% | 0.536 | S | S | . | . | 63.6 | 62.5 | 59 | 98.1 | 0 | 0 | 0 | 0 | 110.5 | Q559 C652 D656 | Q559-S654 VanDerWaalsContact OE1-N 3.16Å; C652-S654 PolarHBondContact O-N 2.98Å; S654-D656 WeakPolarHBondContact CB-OD2 3.49Å | |||
| 655 | D | 27.1 | Very low | 29.8 | Very low | 4 Ų | 4 | 93.8 Ų | 93.8 | 2% | 0.021 | 54% | 0.544 | C | S | . | . | trans | -104.9 | 139.6 | 130.8 | -50.7 | -57.6 | 0 | 0 | 0 | 109.8 | V549 W550 K555 K556 Q559 | V549-D655 HydrophobicContact CB-CB 3.5Å; V549-D655 VanDerWaalsContact CB-CB 3.5Å; V549-D655 VanDerWaalsContact CB-OD2 3.32Å; V549-D655 WeakPolarHBondContact CB-OD2 3.37Å; V549-D655 HydrophobicContact CG1-CB 4.11Å; V549-D655 HydrophobicContact CG2-CB 4.32Å; V549-D655 VanDerWaalsContact CG2-OD2 3.27Å; V549-D655 WeakPolarHBondContact CG2-OD2 3.46Å; V549-D655 WeakPolarHBondContact O-CB 3.4Å; W550-D655 WeakPolarHBondContact CA-OD1 3.44Å; W550-D655 VanDerWaalsContact CD2-OD1 3.31Å; W550-D655 VanDerWaalsContact CH2-OD2 3.26Å; W550-D655 WeakPolarHBondContact CH2-OD2 3.42Å; W550-D655 VanDerWaalsContact CZ2-OD2 3.23Å; W550-D655 WeakPolarHBondContact CZ2-OD2 3.49Å; W550-D655 WeakPolarHBondContact CZ3-OD1 3.28Å; W550-D655 WeakPolarHBondContact CZ3-OD2 3.46Å; W550-D655 PolarHBondContact N-OD1 3.42Å; K555-D655 CarbonylContact C-O 3.55Å; K555-D655 WeakPolarHBondContact CA-O 3.47Å; K555-D655 PolarHBondContact N-O 3.44Å; K556-D655 PolarHBondContact N-O 2.74Å; Q559-D655 HydrophobicContact CG-CB 3.17Å; Q559-D655 VanDerWaalsContact CG-OD2 3.26Å; Q559-D655 WeakPolarHBondContact CG-OD2 3.35Å; Q559-D655 VanDerWaalsContact NE2-CG 3.35Å; Q559-D655 PolarHBondContact NE2-OD2 3.1Å | ||
| 656 | D | 33 | Very low | 30 | Very low | 33 Ų | 33 | 91.7 Ų | 91.7 | 18% | 0.176 | 55% | 0.547 | C | S | . | . | cis | 131.6 | 2.1 | 4.9 | -25.5 | -41.8 | 0 | 0 | 0 | 114.6 | K552 L553 S554 S654 | K552-D656 VanDerWaalsContact C-C 3.49Å; K552-D656 CarbonylContact C-O 3.58Å; K552-D656 WeakPolarHBondContact CA-O 3.33Å; K552-D656 VanDerWaalsContact CB-O 3.24Å; K552-D656 WeakPolarHBondContact CB-O 3.5Å; K552-D656 PolarHBondContact N-O 3.06Å; K552-D656 WeakPolarHBondContact O-CB 3.36Å; L553-D656 VanDerWaalsContact CA-CB 3.43Å; L553-D656 WeakPolarHBondContact CA-O 3.36Å; L553-D656 WeakPolarHBondContact CA-OD1 3.41Å; L553-D656 HydrophobicContact CB-CB 4.45Å; L553-D656 HydrophobicContact CD2-CB 3.94Å; L553-D656 VanDerWaalsContact CD2-CG 3.43Å; L553-D656 PolarHBondContact N-O 3.12Å; S554-D656 VanDerWaalsContact N-C 3.26Å; S554-D656 PolarHBondContact N-OD1 3.08Å; S654-D656 WeakPolarHBondContact CB-OD2 3.49Å | ||
| 657 | R | 30.2 | Very low | 30.2 | Very low | 22 Ų | 22 | 89.7 Ų | 89.7 | 8% | 0.083 | 55% | 0.548 | C | S | . | . | trans | -149.7 | 100.1 | -175.4 | -64.8 | -152.8 | -176.8 | -160.3 | 19.1 | 122.1 | E429 G547 G548 V549 W550 D551 K552 L553 S554 | E429-R657 IonicContact OE1-NH1 3.99Å; E429-R657 PolarHBondContact OE1-NH1 3.41Å; G547-R657 PolarHBondContact O-NH2 2.89Å; G548-R657 VanDerWaalsContact C-NE 3.33Å; G548-R657 WeakPolarHBondContact O-CD 3.07Å; G548-R657 PolarHBondContact O-NE 2.97Å; G548-R657 PolarHBondContact O-NH1 2.89Å; G548-R657 PolarHBondContact O-NH2 3.49Å; V549-R657 VanDerWaalsContact CA-CD 3.43Å; V549-R657 HydrophobicContact CG1-CB 4.37Å; V549-R657 HydrophobicContact CG1-CG 4.28Å; V549-R657 VanDerWaalsContact O-CG 3.22Å; V549-R657 WeakPolarHBondContact O-CG 3.37Å; V549-R657 PolarHBondContact O-NE 3.19Å; W550-R657 VanDerWaalsContact N-NH2 3.12Å; D551-R657 IonicContact OD1-NH2 3.83Å; D551-R657 IonicContact OD2-CZ 2.68Å; D551-R657 IonicContact OD2-NH1 3.29Å; D551-R657 IonicContact OD2-NH2 2.89Å; D551-R657 PolarHBondContact OD2-NH2 3.08Å; K552-R657 HydrophobicContact CB-CB 4.48Å; K552-R657 HydrophobicContact CB-CG 3.89Å; K552-R657 HydrophobicContact CD-CB 3.92Å; K552-R657 HydrophobicContact CD-CG 3.63Å; K552-R657 HydrophobicContact CG-CB 4.45Å; K552-R657 HydrophobicContact CG-CG 3.71Å; L553-R657 CarbonylContact O-C 3.42Å; L553-R657 PolarHBondContact O-N 2.89Å; S554-R657 VanDerWaalsContact OG-CA 3.26Å; S554-R657 WeakPolarHBondContact OG-CA 3.46Å; S554-R657 PolarHBondContact OG-N 3.2Å; S554-R657 PolarHBondContact OG-O 3.03Å; S554-R657 VanDerWaalsContact OG-O 3.06Å | ||
| 658 | G | 33.5 | Very low | 30.8 | Very low | 21 Ų | 21 | 89.9 Ų | 89.9 | 22% | 0.216 | 55% | 0.55 | C | S | . | . | 93.3 | 56.9 | 110.6 | 0 | 0 | 0 | 0 | 0 | 118 | L553 | L553-G658 PolarHBondContact O-N 2.86Š| |||
| 659 | S | 31 | Very low | 30.8 | Very low | 111 Ų | 111 | 84.5 Ų | 84.5 | 78% | 0.776 | 52% | 0.524 | S | S | * | . | -112.5 | 107.9 | 124.7 | -74 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 660 | I | 36.6 | Very low | 30.7 | Very low | 105 Ų | 105 | 90.1 Ų | 90.1 | 54% | 0.538 | 53% | 0.526 | S | S | . | . | 53.7 | 66.7 | 66.9 | -49 | 169.1 | 0 | 0 | 0 | 107.4 | |||||
| 661 | I | 32 | Very low | 30.7 | Very low | 149 Ų | 149 | 91.5 Ų | 91.5 | 76% | 0.764 | 53% | 0.528 | S | S | * | . | 51.7 | 67.7 | 75.4 | -47.1 | 168 | 0 | 0 | 0 | 110.8 | |||||
| 662 | L | 38.1 | Very low | 30.7 | Very low | 121 Ų | 121 | 88.8 Ų | 88.8 | 63% | 0.634 | 52% | 0.517 | S | S | * | . | trans | -95.9 | 113.9 | 155.9 | -149.1 | 85.2 | 0 | 0 | 0 | 109.4 | R670 | L662-R670 PolarHBondContact O-NH1 3.32Å; L662-R670 VanDerWaalsContact O-NH1 3.07Å | ||
| 663 | P | 31.2 | Very low | 30.8 | Very low | 114 Ų | 114 | 91.1 Ų | 91.1 | 74% | 0.74 | 53% | 0.53 | S | S | * | . | trans | -82.6 | 151 | 163.4 | 35.1 | -32.2 | 0 | 0 | 0 | 110.1 | ||||
| 664 | G | 23.4 | Very low | 30.9 | Very low | 58 Ų | 58 | 95.9 Ų | 95.9 | 60% | 0.598 | 55% | 0.549 | S | S | * | . | trans | 95.3 | 103 | -166.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 665 | T | 26.6 | Very low | 31.4 | Very low | 130 Ų | 130 | 95.8 Ų | 95.8 | 80% | 0.798 | 55% | 0.548 | S | S | * | . | S | Bend | cis | -144 | 137.2 | 6.9 | 30.4 | 0 | 0 | 0 | 0 | 111.2 | ||
| 666 | S | 30.8 | Very low | 31.9 | Very low | 113 Ų | 113 | 105 Ų | 105 | 79% | 0.79 | 59% | 0.589 | S | S | * | * | trans | 58.5 | 155.6 | 173.8 | 67.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 667 | P | 28.1 | Very low | 32.5 | Very low | 116 Ų | 116 | 104.7 Ų | 104.7 | 75% | 0.753 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -107.7 | 111.8 | -171.1 | 35.1 | -22.1 | 0 | 0 | 0 | 111.9 | ||
| 668 | T | 39.4 | Very low | 33.5 | Very low | 119 Ų | 119 | 107.7 Ų | 107.7 | 73% | 0.73 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -169.5 | -31.4 | 154.3 | 29.3 | 0 | 0 | 0 | 0 | 112 | ||
| 669 | H | 29.2 | Very low | 34.6 | Very low | 73 Ų | 73 | 107.2 Ų | 107.2 | 34% | 0.338 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -75.2 | -41.9 | -166.1 | -148 | -64 | 0 | 0 | 0 | 115.6 | Q671 S672 K734 N735 | H669-Q671 PolarHBondContact O-N 3.44Å; H669-S672 PolarHBondContact O-N 3.15Å; H669-K734 PolarHBondContact NE2-O 3.17Å; H669-N735 PolarHBondContact CD2-OD1 3.03Å; H669-N735 VanDerWaalsContact CD2-OD1 3.28Å; H669-N735 WeakPolarHBondContact CE1-CB 3.17Å; H669-N735 VanDerWaalsContact NE2-CA 3.3Å; H669-N735 WeakPolarHBondContact NE2-CA 3.27Å; H669-N735 WeakPolarHBondContact NE2-CB 2.99Å; H669-N735 PolarHBondContact NE2-OD1 3.39Å |
| 670 | R | 27.1 | Very low | 36 | Very low | 179 Ų | 179 | 104.8 Ų | 104.8 | 68% | 0.675 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -65.8 | 4.7 | -176.2 | -81.8 | -175.2 | 172.6 | 150.2 | -0.6 | 116.3 | L662 | L662-R670 PolarHBondContact O-NH1 3.32Å; L662-R670 VanDerWaalsContact O-NH1 3.07Å |
| 671 | Q | 30.2 | Very low | 37.3 | Very low | 174 Ų | 174 | 101.1 Ų | 101.1 | 81% | 0.813 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -85.3 | -6.4 | 176.8 | -80.8 | -175.3 | -33.6 | 0 | 0 | 115.3 | H669 | H669-Q671 PolarHBondContact O-N 3.44Š|
| 672 | S | 33.1 | Very low | 39.3 | Very low | 46 Ų | 46 | 94.1 Ų | 94.1 | 32% | 0.322 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -95.6 | -13.6 | 175.4 | 64.4 | 0 | 0 | 0 | 0 | 115.2 | H669 F674 C675 | H669-S672 PolarHBondContact O-N 3.15Å; S672-F674 PolarHBondContact O-N 3.24Å; S672-C675 PolarHBondContact O-N 3.17Å |
| 673 | V | 29.6 | Very low | 40.8 | Very low | 107 Ų | 107 | 89.1 Ų | 89.1 | 65% | 0.648 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -16.4 | -178.2 | -178.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 674 | F | 30.6 | Very low | 42.6 | Very low | 154 Ų | 154 | 86.6 Ų | 86.6 | 68% | 0.675 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.8 | 28.3 | 176.8 | -68.3 | -76.4 | 0 | 0 | 0 | 112.9 | S672 F676 | S672-F674 PolarHBondContact O-N 3.24Å; F674-F676 PolarHBondContact O-N 2.93Å |
| 675 | C | 39.3 | Very low | 45 | Very low | 63 Ų | 63 | 84 Ų | 84 | 43% | 0.426 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -70.2 | 125.4 | 157.1 | -160.7 | 0 | 0 | 0 | 0 | 106.7 | S672 N677 | S672-C675 PolarHBondContact O-N 3.17Å; C675-N677 VanDerWaalsContact C-N 3.3Å; C675-N677 PolarHBondContact O-N 3.49Å |
| 676 | F | 36.2 | Very low | 47.3 | Very low | 197 Ų | 197 | 78.8 Ų | 78.8 | 86% | 0.864 | 42% | 0.416 | S | S | * | . | trans | -62.1 | 88.2 | -176.1 | -72.5 | -94.9 | 0 | 0 | 0 | 110.8 | F674 | F674-F676 PolarHBondContact O-N 2.93Š| ||
| 677 | N | 47.1 | Very low | 49.2 | Very low | 26 Ų | 26 | 77 Ų | 77 | 14% | 0.139 | 40% | 0.397 | C | S | . | . | trans | -103.7 | 89.9 | -175.7 | -131.2 | 67.1 | 0 | 0 | 0 | 106.8 | C675 N679 G729 H731 F746 | C675-N677 VanDerWaalsContact C-N 3.3Å; C675-N677 PolarHBondContact O-N 3.49Å; N677-N679 PolarHBondContact ND2-OD1 3.39Å; N677-N679 VanDerWaalsContact O-CG 3.26Å; N677-N679 PolarHBondContact O-N 3.03Å; N677-N679 PolarHBondContact O-ND2 3.14Å; N677-N679 PolarHBondContact O-OD1 3.03Å; N677-G729 VanDerWaalsContact ND2-CA 3.31Å; N677-G729 WeakPolarHBondContact ND2-CA 3.36Å; N677-G729 PolarHBondContact ND2-O 3.46Å; N677-G729 WeakPolarHBondContact OD1-CA 3.34Å; N677-G729 PolarHBondContact OD1-O 3.34Å; N677-H731 PolarHBondContact ND2-ND1 2.95Å; N677-H731 VanDerWaalsContact OD1-CB 3.3Å; N677-H731 WeakPolarHBondContact OD1-CB 3.32Å; N677-H731 PolarHBondContact OD1-N 2.93Å; N677-F746 WeakPolarHBondContact ND2-CD2 3.43Å; N677-F746 WeakPolarHBondContact ND2-CG 3.4Å | ||
| 678 | D | 50 | Low | 51.3 | Low | 86 Ų | 86 | 72 Ų | 72 | 46% | 0.46 | 36% | 0.364 | S | S | . | . | trans | -71.6 | 72.6 | 177 | -68.1 | -21.3 | 0 | 0 | 0 | 109.3 | E598 T680 Y728 | E598-D678 VanDerWaalsContact OE1-CA 3.27Å; E598-D678 WeakPolarHBondContact OE1-CA 3.36Å; D678-T680 PolarHBondContact O-N 3.36Å; D678-Y728 CarbonylContact C-O 3.6Å; D678-Y728 PolarHBondContact N-O 2.9Å | ||
| 679 | N | 57.2 | Low | 53.1 | Low | 11 Ų | 11 | 67 Ų | 67 | 6% | 0.059 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 8.1 | 166 | -3.7 | -73.3 | 0 | 0 | 0 | 110.5 | E598 N677 N681 V682 V683 F746 | E598-N679 PolarHBondContact OE1-N 3.03Å; E598-N679 VanDerWaalsContact OE2-CA 3.26Å; E598-N679 WeakPolarHBondContact OE2-CA 3.18Å; E598-N679 WeakPolarHBondContact OE2-CB 3.36Å; E598-N679 PolarHBondContact OE2-N 3.43Å; E598-N679 PolarHBondContact OE2-ND2 3.41Å; N677-N679 PolarHBondContact ND2-OD1 3.39Å; N677-N679 VanDerWaalsContact O-CG 3.26Å; N677-N679 PolarHBondContact O-N 3.03Å; N677-N679 PolarHBondContact O-ND2 3.14Å; N677-N679 PolarHBondContact O-OD1 3.03Å; N679-N681 PolarHBondContact O-N 3.33Å; N679-N681 VanDerWaalsContact O-N 3.17Å; N679-V682 HydrophobicContact CB-CB 4.1Å; N679-V682 HydrophobicContact CB-CG2 4.18Å; N679-V682 CarbonylContact O-C 3.52Å; N679-V682 VanDerWaalsContact O-CA 3.22Å; N679-V682 WeakPolarHBondContact O-CA 3.29Å; N679-V682 VanDerWaalsContact O-CB 3.24Å; N679-V682 WeakPolarHBondContact O-CB 3.49Å; N679-V682 PolarHBondContact O-N 3.11Å; N679-V683 HydrophobicContact CB-CG2 4.49Å; N679-V683 PolarHBondContact O-N 3.29Å; N679-F746 HydrophobicContact CB-CB 4.48Å; N679-F746 HydrophobicContact CB-CD2 3.78Å; N679-F746 WeakPolarHBondContact OD1-CB 3.44Å; N679-F746 WeakPolarHBondContact OD1-CD2 3.3Å |
| 680 | T | 60.1 | Low | 55.3 | Low | 59 Ų | 59 | 67.7 Ų | 67.7 | 36% | 0.362 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -52.6 | -43.7 | 179.5 | -35.2 | 0 | 0 | 0 | 0 | 111 | E598 D678 V682 M684 | E598-T680 VanDerWaalsContact CD-CA 3.46Å; E598-T680 HydrophobicContact CG-CG2 3.85Å; E598-T680 WeakPolarHBondContact CG-OG1 3.46Å; E598-T680 PolarHBondContact OE1-N 3.42Å; E598-T680 PolarHBondContact OE1-OG1 3.34Å; E598-T680 VanDerWaalsContact OE1-OG1 3.05Å; E598-T680 PolarHBondContact OE2-N 2.85Å; E598-T680 VanDerWaalsContact OE2-N 3.16Å; D678-T680 PolarHBondContact O-N 3.36Å; T680-V682 VanDerWaalsContact C-N 3.31Å; T680-V682 PolarHBondContact O-N 2.96Å; T680-M684 WeakPolarHBondContact O-CA 3.21Å; T680-M684 WeakPolarHBondContact O-CB 3.42Å; T680-M684 PolarHBondContact O-N 3.11Å |
| 681 | N | 65 | Low | 57.4 | Low | 29 Ų | 29 | 61.9 Ų | 61.9 | 16% | 0.155 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 175 | -55.7 | -52.5 | 0 | 0 | 0 | 110.7 | V630 N679 F685 | V630-N681 HydrophobicContact CG1-CB 4.41Å; V630-N681 HydrophobicContact CG2-CB 4.35Å; V630-N681 WeakPolarHBondContact CG2-OD1 3.49Å; N679-N681 PolarHBondContact O-N 3.33Å; N679-N681 VanDerWaalsContact O-N 3.17Å; N681-F685 HydrophobicContact CB-CE2 4.04Å; N681-F685 VanDerWaalsContact O-CB 3.25Å; N681-F685 WeakPolarHBondContact O-CB 3.49Å; N681-F685 WeakPolarHBondContact O-CD2 3.23Å; N681-F685 WeakPolarHBondContact O-CG 3.47Å; N681-F685 PolarHBondContact O-N 3.03Å |
| 682 | V | 72 | Confident | 59.6 | Low | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.5 | -53.4 | 177.9 | -169.5 | 0 | 0 | 0 | 0 | 112.6 | N679 T680 M684 F685 I686 W727 F746 D749 | N679-V682 HydrophobicContact CB-CB 4.1Å; N679-V682 HydrophobicContact CB-CG2 4.18Å; N679-V682 CarbonylContact O-C 3.52Å; N679-V682 VanDerWaalsContact O-CA 3.22Å; N679-V682 WeakPolarHBondContact O-CA 3.29Å; N679-V682 VanDerWaalsContact O-CB 3.24Å; N679-V682 WeakPolarHBondContact O-CB 3.49Å; N679-V682 PolarHBondContact O-N 3.11Å; T680-V682 VanDerWaalsContact C-N 3.31Å; T680-V682 PolarHBondContact O-N 2.96Å; V682-M684 VanDerWaalsContact C-N 3.3Å; V682-M684 PolarHBondContact O-N 2.87Å; V682-F685 CarbonylContact O-C 3.37Å; V682-F685 WeakPolarHBondContact O-CA 3.32Å; V682-F685 PolarHBondContact O-N 3.43Å; V682-F685 VanDerWaalsContact O-N 3.09Å; V682-I686 HydrophobicContact CG1-CD1 4.17Å; V682-I686 VanDerWaalsContact O-CG1 3.31Å; V682-I686 WeakPolarHBondContact O-CG1 3.37Å; V682-I686 PolarHBondContact O-N 2.77Å; V682-W727 HydrophobicContact CB-CE3 4.34Å; V682-W727 HydrophobicContact CB-CZ3 4.22Å; V682-W727 HydrophobicContact CG1-CE3 4.07Å; V682-W727 HydrophobicContact CG1-CH2 4.29Å; V682-W727 HydrophobicContact CG1-CZ3 3.5Å; V682-W727 VanDerWaalsContact CG1-CZ3 3.5Å; V682-W727 HydrophobicContact CG2-CD2 4.16Å; V682-W727 HydrophobicContact CG2-CE3 3.35Å; V682-W727 HydrophobicContact CG2-CZ3 3.71Å; V682-F746 HydrophobicContact CG2-CD2 4.21Å; V682-F746 HydrophobicContact CG2-CE2 3.85Å; V682-D749 HydrophobicContact CG1-CB 4.34Å |
| 683 | V | 70.1 | Confident | 61.7 | Low | 16 Ų | 16 | 54.2 Ų | 54.2 | 10% | 0.097 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 178.6 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | E598 N679 I686 I687 | E598-V683 HydrophobicContact CB-CG2 4.46Å; N679-V683 HydrophobicContact CB-CG2 4.49Å; N679-V683 PolarHBondContact O-N 3.29Å; V683-I686 PolarHBondContact O-N 2.86Å; V683-I687 HydrophobicContact CG1-CD1 3.92Å; V683-I687 WeakPolarHBondContact O-CB 3.48Å; V683-I687 VanDerWaalsContact O-CG1 3.25Å; V683-I687 WeakPolarHBondContact O-CG1 3.37Å; V683-I687 PolarHBondContact O-N 3.12Å |
| 684 | M | 68.6 | Low | 63.9 | Low | 62 Ų | 62 | 55.7 Ų | 55.7 | 31% | 0.305 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | 171.9 | -171.7 | -164.9 | 62.7 | 0 | 0 | 110.7 | A626 T680 V682 I686 I687 M688 | A626-M684 HydrophobicContact CB-CE 3.84Å; T680-M684 WeakPolarHBondContact O-CA 3.21Å; T680-M684 WeakPolarHBondContact O-CB 3.42Å; T680-M684 PolarHBondContact O-N 3.11Å; V682-M684 VanDerWaalsContact C-N 3.3Å; V682-M684 PolarHBondContact O-N 2.87Å; M684-I686 PolarHBondContact O-N 3Å; M684-I687 PolarHBondContact O-N 3.34Å; M684-M688 HydrophobicContact CB-SD 4.45Å; M684-M688 HydrophobicContact CE-SD 4.09Å; M684-M688 HydrophobicContact CG-SD 3.49Å; M684-M688 WeakPolarHBondContact CG-SD 3.22Å; M684-M688 VanDerWaalsContact O-CB 3.31Å; M684-M688 WeakPolarHBondContact O-CB 3.41Å; M684-M688 WeakPolarHBondContact O-CG 3.42Å; M684-M688 PolarHBondContact O-N 3.32Å; M684-M688 HydrophobicContact SD-SD 4.11Å |
| 685 | F | 74.8 | Confident | 65.9 | Low | 3 Ų | 3 | 49.5 Ų | 49.5 | 1% | 0.013 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.1 | -33.4 | 175.5 | -66.8 | -37 | 0 | 0 | 0 | 113.3 | A627 V630 N681 V682 M688 L689 V722 F753 | A627-F685 HydrophobicContact CB-CE1 4.36Å; A627-F685 HydrophobicContact CB-CZ 4.43Å; V630-F685 HydrophobicContact CG2-CZ 4.48Å; N681-F685 HydrophobicContact CB-CE2 4.04Å; N681-F685 VanDerWaalsContact O-CB 3.25Å; N681-F685 WeakPolarHBondContact O-CB 3.49Å; N681-F685 WeakPolarHBondContact O-CD2 3.23Å; N681-F685 WeakPolarHBondContact O-CG 3.47Å; N681-F685 PolarHBondContact O-N 3.03Å; V682-F685 CarbonylContact O-C 3.37Å; V682-F685 WeakPolarHBondContact O-CA 3.32Å; V682-F685 PolarHBondContact O-N 3.43Å; V682-F685 VanDerWaalsContact O-N 3.09Å; F685-M688 HydrophobicContact CD1-SD 4.41Å; F685-M688 PolarHBondContact O-N 3.44Å; F685-L689 WeakPolarHBondContact O-CB 3.45Å; F685-L689 WeakPolarHBondContact O-CG 3.35Å; F685-L689 PolarHBondContact O-N 3.01Å; F685-V722 HydrophobicContact CD1-CG1 4.38Å; F685-V722 HydrophobicContact CD2-CG1 3.91Å; F685-V722 HydrophobicContact CE2-CG1 4.08Å; F685-V722 HydrophobicContact CG-CG1 4.1Å; F685-V722 HydrophobicContact CZ-CG1 4.39Å; F685-F753 HydrophobicContact CB-CD2 3.97Å; F685-F753 HydrophobicContact CB-CE2 3.91Å |
| 686 | I | 75.3 | Confident | 67.5 | Low | 20 Ų | 20 | 47.7 Ų | 47.7 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.1 | -51.5 | 171.9 | -66.8 | 162.6 | 0 | 0 | 0 | 109.7 | V682 V683 M684 M688 L689 D690 D749 V752 F753 | V682-I686 HydrophobicContact CG1-CD1 4.17Å; V682-I686 VanDerWaalsContact O-CG1 3.31Å; V682-I686 WeakPolarHBondContact O-CG1 3.37Å; V682-I686 PolarHBondContact O-N 2.77Å; V683-I686 PolarHBondContact O-N 2.86Å; M684-I686 PolarHBondContact O-N 3Å; I686-M688 PolarHBondContact O-N 3.45Å; I686-L689 CarbonylContact O-C 3.59Å; I686-L689 PolarHBondContact O-N 2.84Å; I686-L689 VanDerWaalsContact O-N 3.07Å; I686-D690 WeakPolarHBondContact O-CB 3.38Å; I686-D690 PolarHBondContact O-N 3.31Å; I686-D749 HydrophobicContact CD1-CB 3.52Å; I686-D749 WeakPolarHBondContact CD1-O 3.32Å; I686-V752 HydrophobicContact CD1-CB 4.47Å; I686-V752 HydrophobicContact CD1-CG1 4.47Å; I686-V752 HydrophobicContact CG1-CG1 4.5Å; I686-V752 HydrophobicContact CG2-CG1 3.99Å; I686-F753 HydrophobicContact CG1-CB 4Å |
| 687 | I | 69.5 | Low | 69 | Low | 75 Ų | 75 | 44.5 Ų | 44.5 | 39% | 0.385 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -57.1 | -38.2 | 176.6 | -70.9 | 166.8 | 0 | 0 | 0 | 109.9 | V683 M684 D690 I691 | V683-I687 HydrophobicContact CG1-CD1 3.92Å; V683-I687 WeakPolarHBondContact O-CB 3.48Å; V683-I687 VanDerWaalsContact O-CG1 3.25Å; V683-I687 WeakPolarHBondContact O-CG1 3.37Å; V683-I687 PolarHBondContact O-N 3.12Å; M684-I687 PolarHBondContact O-N 3.34Å; I687-D690 PolarHBondContact O-N 3.01Å; I687-I691 HydrophobicContact CG2-CD1 3.62Å; I687-I691 HydrophobicContact CG2-CG1 4.34Å; I687-I691 WeakPolarHBondContact O-CB 3.46Å; I687-I691 WeakPolarHBondContact O-CD1 3.15Å; I687-I691 WeakPolarHBondContact O-CG1 3.23Å; I687-I691 PolarHBondContact O-N 3.15Å |
| 688 | M | 73.5 | Confident | 69.9 | Low | 13 Ų | 13 | 48.1 Ų | 48.1 | 6% | 0.064 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -74.4 | -32.3 | 177.5 | -67.6 | 157.7 | 78.7 | 0 | 0 | 113 | M623 A626 M684 F685 I686 L692 | M623-M688 HydrophobicContact CB-CE 3.81Å; M623-M688 HydrophobicContact CE-CB 3.77Å; M623-M688 HydrophobicContact CG-CB 4.17Å; M623-M688 HydrophobicContact CG-CE 3.53Å; M623-M688 HydrophobicContact SD-CB 4.19Å; A626-M688 HydrophobicContact CB-CE 3.82Å; M684-M688 HydrophobicContact CB-SD 4.45Å; M684-M688 HydrophobicContact CE-SD 4.09Å; M684-M688 HydrophobicContact CG-SD 3.49Å; M684-M688 WeakPolarHBondContact CG-SD 3.22Å; M684-M688 VanDerWaalsContact O-CB 3.31Å; M684-M688 WeakPolarHBondContact O-CB 3.41Å; M684-M688 WeakPolarHBondContact O-CG 3.42Å; M684-M688 PolarHBondContact O-N 3.32Å; M684-M688 HydrophobicContact SD-SD 4.11Å; F685-M688 HydrophobicContact CD1-SD 4.41Å; F685-M688 PolarHBondContact O-N 3.44Å; I686-M688 PolarHBondContact O-N 3.45Å; M688-L692 WeakPolarHBondContact O-CA 3.3Å; M688-L692 WeakPolarHBondContact O-CB 3.3Å; M688-L692 PolarHBondContact O-N 3.19Å |
| 689 | L | 77 | Confident | 70.7 | Confident | 12 Ų | 12 | 47.2 Ų | 47.2 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.6 | -41.6 | 168.8 | -78.1 | -175.1 | 0 | 0 | 0 | 111.7 | M623 F685 I686 L692 M693 F753 L756 | M623-L689 HydrophobicContact CE-CD2 4.38Å; F685-L689 WeakPolarHBondContact O-CB 3.45Å; F685-L689 WeakPolarHBondContact O-CG 3.35Å; F685-L689 PolarHBondContact O-N 3.01Å; I686-L689 CarbonylContact O-C 3.59Å; I686-L689 PolarHBondContact O-N 2.84Å; I686-L689 VanDerWaalsContact O-N 3.07Å; L689-L692 HydrophobicContact CD2-CD2 4.21Å; L689-L692 PolarHBondContact O-N 2.99Å; L689-M693 WeakPolarHBondContact O-CB 3.44Å; L689-M693 VanDerWaalsContact O-CG 3.27Å; L689-M693 WeakPolarHBondContact O-CG 3.43Å; L689-M693 PolarHBondContact O-N 2.76Å; L689-F753 HydrophobicContact CD1-CD2 3.44Å; L689-F753 VanDerWaalsContact CD1-CD2 3.44Å; L689-F753 HydrophobicContact CD1-CE2 3.47Å; L689-F753 VanDerWaalsContact CD1-CE2 3.47Å; L689-F753 HydrophobicContact CD1-CG 4.13Å; L689-F753 HydrophobicContact CD1-CZ 4.19Å; L689-F753 HydrophobicContact CG-CD2 4.29Å; L689-F753 HydrophobicContact CG-CE2 4.11Å; L689-L756 HydrophobicContact CB-CD1 4.07Å; L689-L756 HydrophobicContact CD1-CB 3.96Å |
| 690 | D | 75.2 | Confident | 70.9 | Confident | 89 Ų | 89 | 55.5 Ų | 55.5 | 48% | 0.476 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 174.9 | -109.6 | 5.5 | 0 | 0 | 0 | 110.4 | I686 I687 L692 M693 R694 | I686-D690 WeakPolarHBondContact O-CB 3.38Å; I686-D690 PolarHBondContact O-N 3.31Å; I687-D690 PolarHBondContact O-N 3.01Å; D690-L692 VanDerWaalsContact C-N 3.35Å; D690-M693 WeakPolarHBondContact OD1-CE 3.32Å; D690-R694 WeakPolarHBondContact O-CB 3.37Å; D690-R694 PolarHBondContact O-N 2.89Å |
| 691 | I | 70.6 | Confident | 71.3 | Confident | 56 Ų | 56 | 55.7 Ų | 55.7 | 29% | 0.287 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 173.7 | -62.4 | 164.6 | 0 | 0 | 0 | 109.8 | L619 I687 R694 Q695 | L619-I691 HydrophobicContact CD1-CB 4.32Å; L619-I691 HydrophobicContact CD1-CG2 3.7Å; L619-I691 HydrophobicContact CD2-CB 4.25Å; L619-I691 HydrophobicContact CD2-CG2 3.69Å; L619-I691 HydrophobicContact CG-CG2 4.35Å; I687-I691 HydrophobicContact CG2-CD1 3.62Å; I687-I691 HydrophobicContact CG2-CG1 4.34Å; I687-I691 WeakPolarHBondContact O-CB 3.46Å; I687-I691 WeakPolarHBondContact O-CD1 3.15Å; I687-I691 WeakPolarHBondContact O-CG1 3.23Å; I687-I691 PolarHBondContact O-N 3.15Å; I691-R694 PolarHBondContact O-N 3.38Å; I691-Q695 HydrophobicContact CG2-CG 3.98Å; I691-Q695 WeakPolarHBondContact O-CB 3.28Å; I691-Q695 VanDerWaalsContact O-CG 3.23Å; I691-Q695 WeakPolarHBondContact O-CG 3.13Å; I691-Q695 PolarHBondContact O-N 2.99Å |
| 692 | L | 76.6 | Confident | 71.1 | Confident | 8 Ų | 8 | 61.2 Ų | 61.2 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.1 | -51.6 | 179.8 | 179.6 | 69.2 | 0 | 0 | 0 | 111.5 | L616 L619 L620 M623 M688 L689 D690 R694 Q695 M696 | L616-L692 HydrophobicContact CD2-CD1 3.51Å; L619-L692 HydrophobicContact CD2-CB 3.96Å; L619-L692 HydrophobicContact CD2-CD1 4.08Å; L620-L692 HydrophobicContact CD1-CD1 4.39Å; L620-L692 HydrophobicContact CD2-CD1 3.6Å; L620-L692 HydrophobicContact CD2-CD2 4.16Å; L620-L692 HydrophobicContact CG-CD1 3.84Å; M623-L692 HydrophobicContact SD-CB 4.22Å; M623-L692 HydrophobicContact SD-CD1 4.42Å; M623-L692 HydrophobicContact SD-CD2 4.01Å; M623-L692 HydrophobicContact SD-CG 4.46Å; M688-L692 WeakPolarHBondContact O-CA 3.3Å; M688-L692 WeakPolarHBondContact O-CB 3.3Å; M688-L692 PolarHBondContact O-N 3.19Å; L689-L692 HydrophobicContact CD2-CD2 4.21Å; L689-L692 PolarHBondContact O-N 2.99Å; D690-L692 VanDerWaalsContact C-N 3.35Å; L692-R694 VanDerWaalsContact C-N 3.33Å; L692-R694 PolarHBondContact O-N 3.35Å; L692-Q695 PolarHBondContact O-N 3.46Å; L692-M696 HydrophobicContact CD1-SD 4.39Å; L692-M696 HydrophobicContact CG-SD 4.03Å; L692-M696 WeakPolarHBondContact O-CB 3.14Å; L692-M696 VanDerWaalsContact O-CG 3.24Å; L692-M696 WeakPolarHBondContact O-CG 3.36Å; L692-M696 PolarHBondContact O-N 3.32Å |
| 693 | M | 77.1 | Confident | 70.9 | Confident | 51 Ų | 51 | 67.7 Ų | 67.7 | 25% | 0.251 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 175.2 | -68.9 | -175.5 | -48.8 | 0 | 0 | 110.6 | L689 D690 Q695 M696 E697 L756 | L689-M693 WeakPolarHBondContact O-CB 3.44Å; L689-M693 VanDerWaalsContact O-CG 3.27Å; L689-M693 WeakPolarHBondContact O-CG 3.43Å; L689-M693 PolarHBondContact O-N 2.76Å; D690-M693 WeakPolarHBondContact OD1-CE 3.32Å; M693-Q695 VanDerWaalsContact C-N 3.34Å; M693-Q695 PolarHBondContact O-N 3.05Å; M693-M696 CarbonylContact O-C 3.38Å; M693-M696 PolarHBondContact O-N 2.91Å; M693-E697 WeakPolarHBondContact O-CG 3.43Å; M693-E697 PolarHBondContact O-N 2.96Å; M693-L756 HydrophobicContact CE-CB 4.48Å; M693-L756 HydrophobicContact CE-CD1 3.62Å; M693-L756 HydrophobicContact CE-CD2 3.55Å; M693-L756 HydrophobicContact CE-CG 4.04Å; M693-L756 HydrophobicContact SD-CB 4.27Å; M693-L756 HydrophobicContact SD-CD1 4.46Å; M693-L756 HydrophobicContact SD-CD2 3.89Å; M693-L756 HydrophobicContact SD-CG 4.4Å |
| 694 | R | 75.6 | Confident | 70.7 | Confident | 139 Ų | 139 | 71.4 Ų | 71.4 | 53% | 0.525 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.2 | -36.3 | 179.6 | -170.4 | 59.8 | 177.1 | 154.3 | 3.8 | 112.4 | D690 I691 L692 E697 L698 | D690-R694 WeakPolarHBondContact O-CB 3.37Å; D690-R694 PolarHBondContact O-N 2.89Å; I691-R694 PolarHBondContact O-N 3.38Å; L692-R694 VanDerWaalsContact C-N 3.33Å; L692-R694 PolarHBondContact O-N 3.35Å; R694-E697 WeakPolarHBondContact CD-OE2 3.44Å; R694-E697 IonicContact CZ-OE2 3.86Å; R694-E697 IonicContact NH1-OE2 2.77Å; R694-E697 PolarHBondContact NH1-OE2 3.36Å; R694-L698 HydrophobicContact CG-CD1 4.32Å; R694-L698 WeakPolarHBondContact O-CB 3.35Å; R694-L698 WeakPolarHBondContact O-CD1 3.49Å; R694-L698 WeakPolarHBondContact O-CG 3.2Å; R694-L698 PolarHBondContact O-N 2.85Å |
| 695 | Q | 72.9 | Confident | 70.5 | Confident | 23 Ų | 23 | 74.9 Ų | 74.9 | 11% | 0.107 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -75.5 | -31.9 | 172.7 | -64.3 | -50 | -32 | 0 | 0 | 112.4 | I614 L616 I691 L692 M693 L698 S699 | I614-Q695 PolarHBondContact O-OE1 2.98Å; L616-Q695 HydrophobicContact CD1-CB 4.34Å; L616-Q695 HydrophobicContact CG-CB 3.96Å; I691-Q695 HydrophobicContact CG2-CG 3.98Å; I691-Q695 WeakPolarHBondContact O-CB 3.28Å; I691-Q695 VanDerWaalsContact O-CG 3.23Å; I691-Q695 WeakPolarHBondContact O-CG 3.13Å; I691-Q695 PolarHBondContact O-N 2.99Å; L692-Q695 PolarHBondContact O-N 3.46Å; M693-Q695 VanDerWaalsContact C-N 3.34Å; M693-Q695 PolarHBondContact O-N 3.05Å; Q695-L698 CarbonylContact O-C 3.54Å; Q695-L698 PolarHBondContact O-N 3.12Å; Q695-S699 WeakPolarHBondContact O-CB 3.2Å; Q695-S699 PolarHBondContact O-N 3.41Å; Q695-S699 PolarHBondContact O-OG 3.29Å |
| 696 | M | 73.3 | Confident | 70.2 | Confident | 26 Ų | 26 | 75.2 Ų | 75.2 | 13% | 0.128 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.3 | -36.9 | 170.9 | -75.2 | 175.6 | 72.1 | 0 | 0 | 112 | L616 L692 M693 S699 E700 F701 L760 L763 | L616-M696 HydrophobicContact CD1-CG 4.11Å; L616-M696 HydrophobicContact CD2-CG 4.36Å; L692-M696 HydrophobicContact CD1-SD 4.39Å; L692-M696 HydrophobicContact CG-SD 4.03Å; L692-M696 WeakPolarHBondContact O-CB 3.14Å; L692-M696 VanDerWaalsContact O-CG 3.24Å; L692-M696 WeakPolarHBondContact O-CG 3.36Å; L692-M696 PolarHBondContact O-N 3.32Å; M693-M696 CarbonylContact O-C 3.38Å; M693-M696 PolarHBondContact O-N 2.91Å; M696-S699 PolarHBondContact O-N 2.8Å; M696-E700 PolarHBondContact O-N 3.23Å; M696-F701 HydrophobicContact CE-CB 4.06Å; M696-F701 HydrophobicContact CE-CD1 3.47Å; M696-F701 VanDerWaalsContact CE-CD1 3.47Å; M696-F701 HydrophobicContact CE-CD2 4.13Å; M696-F701 HydrophobicContact CE-CE1 3.86Å; M696-F701 HydrophobicContact CE-CE2 4.46Å; M696-F701 HydrophobicContact CE-CG 3.62Å; M696-F701 HydrophobicContact CE-CZ 4.34Å; M696-L760 HydrophobicContact CE-CD1 4.47Å; M696-L763 HydrophobicContact CE-CD2 4.2Å |
| 697 | E | 68.6 | Low | 69.9 | Low | 129 Ų | 129 | 74.8 Ų | 74.8 | 60% | 0.603 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.4 | -46.3 | 169.3 | -75 | -170.1 | 149 | 0 | 0 | 111.5 | M693 R694 S699 | M693-E697 WeakPolarHBondContact O-CG 3.43Å; M693-E697 PolarHBondContact O-N 2.96Å; R694-E697 WeakPolarHBondContact CD-OE2 3.44Å; R694-E697 IonicContact CZ-OE2 3.86Å; R694-E697 IonicContact NH1-OE2 2.77Å; R694-E697 PolarHBondContact NH1-OE2 3.36Å; E697-S699 PolarHBondContact O-N 3.16Å |
| 698 | L | 64.8 | Low | 69.8 | Low | 103 Ų | 103 | 79.3 Ų | 79.3 | 54% | 0.539 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -6.8 | 177.9 | -68.7 | 167 | 0 | 0 | 0 | 113.6 | R694 Q695 | R694-L698 HydrophobicContact CG-CD1 4.32Å; R694-L698 WeakPolarHBondContact O-CB 3.35Å; R694-L698 WeakPolarHBondContact O-CD1 3.49Å; R694-L698 WeakPolarHBondContact O-CG 3.2Å; R694-L698 PolarHBondContact O-N 2.85Å; Q695-L698 CarbonylContact O-C 3.54Å; Q695-L698 PolarHBondContact O-N 3.12Å |
| 699 | S | 66.4 | Low | 69.9 | Low | 67 Ų | 67 | 80.8 Ų | 80.8 | 47% | 0.469 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | 8.8 | -174.2 | -49.8 | 0 | 0 | 0 | 0 | 116.1 | Q695 M696 E697 | Q695-S699 WeakPolarHBondContact O-CB 3.2Å; Q695-S699 PolarHBondContact O-N 3.41Å; Q695-S699 PolarHBondContact O-OG 3.29Å; M696-S699 PolarHBondContact O-N 2.8Å; E697-S699 PolarHBondContact O-N 3.16Å |
| 700 | E | 61.9 | Low | 69.4 | Low | 185 Ų | 185 | 86.6 Ų | 86.6 | 86% | 0.864 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 50 | 168.6 | -54.4 | -170.1 | 162.6 | 0 | 0 | 118.4 | M696 | M696-E700 PolarHBondContact O-N 3.23Š|
| 701 | F | 67.8 | Low | 69.2 | Low | 62 Ų | 62 | 88.1 Ų | 88.1 | 27% | 0.272 | 42% | 0.424 | S | S | . | . | trans | -70 | 146.1 | 178.8 | -173.1 | -100 | 0 | 0 | 0 | 115.9 | M696 E711 L763 L764 | M696-F701 HydrophobicContact CE-CB 4.06Å; M696-F701 HydrophobicContact CE-CD1 3.47Å; M696-F701 VanDerWaalsContact CE-CD1 3.47Å; M696-F701 HydrophobicContact CE-CD2 4.13Å; M696-F701 HydrophobicContact CE-CE1 3.86Å; M696-F701 HydrophobicContact CE-CE2 4.46Å; M696-F701 HydrophobicContact CE-CG 3.62Å; M696-F701 HydrophobicContact CE-CZ 4.34Å; F701-E711 HydrophobicContact CE2-CB 4.42Å; F701-E711 WeakPolarHBondContact CE2-OE2 3.39Å; F701-L763 HydrophobicContact CD1-CD2 4.15Å; F701-L763 HydrophobicContact CE1-CD2 4.27Å; F701-L764 HydrophobicContact CE1-CD2 4.33Å; F701-L764 HydrophobicContact CZ-CD2 4.39Å | ||
| 702 | Q | 60.9 | Low | 69.5 | Low | 146 Ų | 146 | 85.5 Ų | 85.5 | 68% | 0.682 | 41% | 0.41 | S | S | * | . | trans | -89.1 | 141.7 | 179.9 | -65.4 | -168.7 | 15 | 0 | 0 | 114.1 | ||||
| 703 | K | 69.4 | Low | 69.7 | Low | 137 Ų | 137 | 87.6 Ų | 87.6 | 60% | 0.596 | 42% | 0.42 | S | S | * | . | trans | -110.9 | 158.9 | -169.9 | -50.8 | -177.9 | 176.7 | -157.9 | 0 | 113.1 | Q705 L763 | K703-Q705 PolarHBondContact O-N 3.26Å; K703-L763 HydrophobicContact CB-CD1 4.4Å; K703-L763 HydrophobicContact CB-CG 4.41Å; K703-L763 HydrophobicContact CD-CD1 3.52Å; K703-L763 HydrophobicContact CD-CG 4.32Å; K703-L763 HydrophobicContact CG-CD1 3.8Å; K703-L763 HydrophobicContact CG-CG 4.03Å | ||
| 704 | E | 65.1 | Low | 69.7 | Low | 94 Ų | 94 | 90 Ų | 90 | 44% | 0.439 | 43% | 0.433 | S | S | . | . | trans | 67.8 | 15.5 | 165.2 | -51.1 | -179.6 | 175.6 | 0 | 0 | 119.5 | G706 L763 K767 | E704-G706 VanDerWaalsContact C-N 3.29Å; E704-G706 PolarHBondContact O-N 3.34Å; E704-L763 PolarHBondContact N-O 2.86Å; E704-K767 IonicContact OE1-NZ 2.58Å; E704-K767 PolarHBondContact OE1-NZ 3.21Å; E704-K767 IonicContact OE2-NZ 3.94Å; E704-K767 PolarHBondContact OE2-NZ 2.99Å | ||
| 705 | Q | 64.8 | Low | 70.1 | Confident | 135 Ų | 135 | 84.5 Ų | 84.5 | 63% | 0.631 | 42% | 0.415 | S | S | * | . | trans | -76.8 | -3.5 | -179.1 | -68.6 | -159.1 | 20.1 | 0 | 0 | 116 | K703 T709 | K703-Q705 PolarHBondContact O-N 3.26Å; Q705-T709 HydrophobicContact CB-CG2 3.99Å | ||
| 706 | G | 67.6 | Low | 70.6 | Confident | 10 Ų | 10 | 83.5 Ų | 83.5 | 10% | 0.103 | 41% | 0.41 | C | S | . | . | trans | 84 | 168.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E704 K708 L764 | E704-G706 VanDerWaalsContact C-N 3.29Å; E704-G706 PolarHBondContact O-N 3.34Å; G706-K708 PolarHBondContact O-N 2.93Å; G706-L764 CarbonylContact C-O 3.19Å; G706-L764 WeakPolarHBondContact CA-O 3.4Å; G706-L764 PolarHBondContact N-O 3.39Å | ||
| 707 | T | 69.6 | Low | 71 | Confident | 10 Ų | 10 | 83.7 Ų | 83.7 | 6% | 0.061 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -7.6 | -168.7 | 55.7 | 0 | 0 | 0 | 0 | 115.5 | T709 Q713 L716 E918 L948 | T707-T709 PolarHBondContact O-N 3.34Å; T707-Q713 PolarHBondContact O-NE2 2.99Å; T707-L716 HydrophobicContact CG2-CD1 4.04Å; T707-E918 WeakPolarHBondContact CB-OE1 3.36Å; T707-E918 HydrophobicContact CG2-CB 4.48Å; T707-E918 PolarHBondContact OG1-OE1 3.49Å; T707-L948 HydrophobicContact CG2-CD2 4.38Å |
| 708 | K | 67.1 | Low | 71.6 | Confident | 171 Ų | 171 | 78.5 Ų | 78.5 | 74% | 0.743 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 6.7 | -171 | -62.1 | -172.8 | 179.8 | -178.3 | 0 | 115.1 | G706 | G706-K708 PolarHBondContact O-N 2.93Š|
| 709 | T | 74.9 | Confident | 72.4 | Confident | 43 Ų | 43 | 74.3 Ų | 74.3 | 26% | 0.264 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -89.7 | 147.9 | 175 | 61.9 | 0 | 0 | 0 | 0 | 111.6 | Q705 T707 E711 A712 Q713 | Q705-T709 HydrophobicContact CB-CG2 3.99Å; T707-T709 PolarHBondContact O-N 3.34Å; T709-E711 VanDerWaalsContact C-N 3.33Å; T709-E711 PolarHBondContact O-N 3.36Å; T709-A712 PolarHBondContact O-N 2.99Å; T709-A712 WeakPolarHBondContact OG1-CB 3.49Å; T709-A712 PolarHBondContact OG1-N 2.65Å; T709-Q713 WeakPolarHBondContact O-CG 3.22Å; T709-Q713 PolarHBondContact O-N 3.31Å |
| 710 | D | 67.9 | Low | 73.2 | Confident | 135 Ų | 135 | 71.1 Ų | 71.1 | 72% | 0.722 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61 | -41 | -177.1 | -59.8 | -30.7 | 0 | 0 | 0 | 112.1 | Q713 I714 | D710-Q713 PolarHBondContact O-N 3.02Å; D710-I714 VanDerWaalsContact O-CG1 3.29Å; D710-I714 WeakPolarHBondContact O-CG1 3.48Å; D710-I714 PolarHBondContact O-N 3.07Å |
| 711 | E | 70.2 | Confident | 73.9 | Confident | 121 Ų | 121 | 64.1 Ų | 64.1 | 57% | 0.565 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62.7 | -42.6 | 175.9 | -64.8 | 178.2 | 167.7 | 0 | 0 | 111.8 | F701 T709 I714 V715 | F701-E711 HydrophobicContact CE2-CB 4.42Å; F701-E711 WeakPolarHBondContact CE2-OE2 3.39Å; T709-E711 VanDerWaalsContact C-N 3.33Å; T709-E711 PolarHBondContact O-N 3.36Å; E711-I714 PolarHBondContact O-N 3.1Å; E711-V715 WeakPolarHBondContact O-CG2 3.33Å; E711-V715 PolarHBondContact O-N 3.42Å |
| 712 | A | 78.1 | Confident | 74.6 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.7 | -42 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T709 I714 V715 L716 L764 | T709-A712 PolarHBondContact O-N 2.99Å; T709-A712 WeakPolarHBondContact OG1-CB 3.49Å; T709-A712 PolarHBondContact OG1-N 2.65Å; A712-I714 VanDerWaalsContact C-N 3.32Å; A712-I714 PolarHBondContact O-N 2.92Å; A712-V715 PolarHBondContact O-N 3.21Å; A712-L716 VanDerWaalsContact O-CB 3.26Å; A712-L716 WeakPolarHBondContact O-CB 3.32Å; A712-L716 WeakPolarHBondContact O-CG 3.32Å; A712-L716 PolarHBondContact O-N 2.94Å; A712-L764 HydrophobicContact CB-CD1 4.28Å; A712-L764 HydrophobicContact CB-CD2 3.89Å; A712-L764 HydrophobicContact CB-CG 4.49Å |
| 713 | Q | 80.6 | Confident | 75.5 | Confident | 51 Ų | 51 | 54.6 Ų | 54.6 | 24% | 0.238 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.4 | -37 | 176.2 | -71.9 | -72.9 | -49.8 | 0 | 0 | 111.8 | T707 T709 D710 S717 E918 | T707-Q713 PolarHBondContact O-NE2 2.99Å; T709-Q713 WeakPolarHBondContact O-CG 3.22Å; T709-Q713 PolarHBondContact O-N 3.31Å; D710-Q713 PolarHBondContact O-N 3.02Å; Q713-S717 WeakPolarHBondContact O-CB 3.4Å; Q713-S717 PolarHBondContact O-N 3.46Å; Q713-E918 PolarHBondContact NE2-OE2 3.44Å |
| 714 | I | 76.9 | Confident | 75.9 | Confident | 102 Ų | 102 | 53.9 Ų | 53.9 | 52% | 0.523 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.8 | -50.4 | 173.8 | -68.4 | 163.3 | 0 | 0 | 0 | 110.6 | D710 E711 A712 S717 V718 | D710-I714 VanDerWaalsContact O-CG1 3.29Å; D710-I714 WeakPolarHBondContact O-CG1 3.48Å; D710-I714 PolarHBondContact O-N 3.07Å; E711-I714 PolarHBondContact O-N 3.1Å; A712-I714 VanDerWaalsContact C-N 3.32Å; A712-I714 PolarHBondContact O-N 2.92Å; I714-S717 WeakPolarHBondContact O-CB 3.29Å; I714-S717 PolarHBondContact O-N 3.43Å; I714-S717 VanDerWaalsContact O-N 3.17Å; I714-V718 WeakPolarHBondContact O-CG2 3.43Å; I714-V718 PolarHBondContact O-N 2.97Å |
| 715 | V | 82.7 | Confident | 76.3 | Confident | 24 Ų | 24 | 49.7 Ų | 49.7 | 15% | 0.145 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.6 | -49.5 | 178.9 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | E711 A712 S717 V718 M719 L760 L764 | E711-V715 WeakPolarHBondContact O-CG2 3.33Å; E711-V715 PolarHBondContact O-N 3.42Å; A712-V715 PolarHBondContact O-N 3.21Å; V715-S717 VanDerWaalsContact C-N 3.27Å; V715-S717 PolarHBondContact O-N 3.02Å; V715-V718 PolarHBondContact O-N 3.36Å; V715-M719 HydrophobicContact CG1-CG 4.41Å; V715-M719 HydrophobicContact CG1-SD 4.15Å; V715-M719 WeakPolarHBondContact O-CB 3.23Å; V715-M719 VanDerWaalsContact O-CG 3.3Å; V715-M719 WeakPolarHBondContact O-CG 3.37Å; V715-M719 PolarHBondContact O-N 3.34Å; V715-L760 HydrophobicContact CG1-CD1 4.26Å; V715-L760 HydrophobicContact CG1-CD2 3.83Å; V715-L760 HydrophobicContact CG1-CG 4.07Å; V715-L764 HydrophobicContact CB-CD1 4.36Å; V715-L764 HydrophobicContact CG1-CD1 4.04Å |
| 716 | L | 84.5 | Confident | 76.1 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63 | -31.5 | 176.9 | -67.2 | 170.7 | 0 | 0 | 0 | 112.5 | T707 A712 S720 V761 L764 A917 L921 | T707-L716 HydrophobicContact CG2-CD1 4.04Å; A712-L716 VanDerWaalsContact O-CB 3.26Å; A712-L716 WeakPolarHBondContact O-CB 3.32Å; A712-L716 WeakPolarHBondContact O-CG 3.32Å; A712-L716 PolarHBondContact O-N 2.94Å; L716-S720 VanDerWaalsContact O-CB 3.29Å; L716-S720 WeakPolarHBondContact O-CB 3.14Å; L716-S720 PolarHBondContact O-N 3.39Å; L716-V761 HydrophobicContact CD2-CG2 4.22Å; L716-L764 HydrophobicContact CD2-CD1 4.06Å; L716-L764 HydrophobicContact CG-CD1 3.99Å; L716-A917 HydrophobicContact CB-CB 3.95Å; L716-L921 HydrophobicContact CD2-CD2 3.68Å |
| 717 | S | 80.7 | Confident | 75.8 | Confident | 31 Ų | 31 | 46.4 Ų | 46.4 | 22% | 0.217 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.1 | -45 | 173.9 | -165.1 | 0 | 0 | 0 | 0 | 111.9 | Q713 I714 V715 S720 E721 | Q713-S717 WeakPolarHBondContact O-CB 3.4Å; Q713-S717 PolarHBondContact O-N 3.46Å; I714-S717 WeakPolarHBondContact O-CB 3.29Å; I714-S717 PolarHBondContact O-N 3.43Å; I714-S717 VanDerWaalsContact O-N 3.17Å; V715-S717 VanDerWaalsContact C-N 3.27Å; V715-S717 PolarHBondContact O-N 3.02Å; S717-S720 PolarHBondContact O-N 2.91Å; S717-E721 WeakPolarHBondContact O-CG 3.4Å; S717-E721 PolarHBondContact O-N 2.66Å |
| 718 | V | 81 | Confident | 74.8 | Confident | 19 Ų | 19 | 49.3 Ų | 49.3 | 12% | 0.115 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.6 | -42 | 174.8 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | I714 V715 S720 E721 V722 | I714-V718 WeakPolarHBondContact O-CG2 3.43Å; I714-V718 PolarHBondContact O-N 2.97Å; V715-V718 PolarHBondContact O-N 3.36Å; V718-S720 VanDerWaalsContact C-N 3.32Å; V718-S720 PolarHBondContact O-N 2.96Å; V718-E721 WeakPolarHBondContact O-CB 3.46Å; V718-E721 PolarHBondContact O-N 2.86Å; V718-E721 VanDerWaalsContact O-N 3.14Å; V718-V722 HydrophobicContact CG1-CG2 4.32Å; V718-V722 WeakPolarHBondContact O-CG2 3.29Å; V718-V722 PolarHBondContact O-N 2.71Å |
| 719 | M | 83.2 | Confident | 73.9 | Confident | 15 Ų | 15 | 41.6 Ų | 41.6 | 7% | 0.074 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -41.3 | 172.3 | -69.7 | -177.4 | 77.4 | 0 | 0 | 112 | V715 E721 V722 V723 A757 L760 V761 M944 | V715-M719 HydrophobicContact CG1-CG 4.41Å; V715-M719 HydrophobicContact CG1-SD 4.15Å; V715-M719 WeakPolarHBondContact O-CB 3.23Å; V715-M719 VanDerWaalsContact O-CG 3.3Å; V715-M719 WeakPolarHBondContact O-CG 3.37Å; V715-M719 PolarHBondContact O-N 3.34Å; M719-E721 VanDerWaalsContact C-N 3.29Å; M719-E721 PolarHBondContact O-N 3.05Å; M719-V722 PolarHBondContact O-N 3.37Å; M719-V723 VanDerWaalsContact O-CB 3.31Å; M719-V723 WeakPolarHBondContact O-CB 3.5Å; M719-V723 VanDerWaalsContact O-CG2 3.25Å; M719-V723 WeakPolarHBondContact O-CG2 3.37Å; M719-V723 PolarHBondContact O-N 3.33Å; M719-A757 HydrophobicContact CE-CB 3.56Å; M719-L760 HydrophobicContact CE-CD2 4.4Å; M719-L760 HydrophobicContact CG-CD2 4.4Å; M719-L760 HydrophobicContact SD-CD2 3.74Å; M719-L760 HydrophobicContact SD-CG 4.11Å; M719-V761 HydrophobicContact CE-CG2 3.84Å; M719-V761 HydrophobicContact SD-CG2 4.13Å; M719-M944 HydrophobicContact CE-SD 4.42Å |
| 720 | S | 81.5 | Confident | 72.5 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69 | -25.1 | 176.4 | -170 | 0 | 0 | 0 | 0 | 113.3 | L716 S717 V718 R724 | L716-S720 VanDerWaalsContact O-CB 3.29Å; L716-S720 WeakPolarHBondContact O-CB 3.14Å; L716-S720 PolarHBondContact O-N 3.39Å; S717-S720 PolarHBondContact O-N 2.91Å; V718-S720 VanDerWaalsContact C-N 3.32Å; V718-S720 PolarHBondContact O-N 2.96Å; S720-R724 WeakPolarHBondContact O-CB 3.5Å; S720-R724 WeakPolarHBondContact O-CG 3.35Å; S720-R724 PolarHBondContact O-N 3.14Å; S720-R724 PolarHBondContact O-NE 3.3Å; S720-R724 PolarHBondContact OG-NH2 3.41Å |
| 721 | E | 78.1 | Confident | 71.9 | Confident | 38 Ų | 38 | 39.3 Ų | 39.3 | 18% | 0.178 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -74.5 | -49.3 | 170.3 | -72.4 | 168 | 176.8 | 0 | 0 | 110.6 | K624 S717 V718 M719 R724 C725 | K624-E721 VanDerWaalsContact CE-OE2 3.27Å; K624-E721 WeakPolarHBondContact CE-OE2 3.35Å; K624-E721 IonicContact NZ-OE1 2.67Å; K624-E721 PolarHBondContact NZ-OE1 3.13Å; K624-E721 IonicContact NZ-OE2 2.79Å; K624-E721 PolarHBondContact NZ-OE2 3.38Å; S717-E721 WeakPolarHBondContact O-CG 3.4Å; S717-E721 PolarHBondContact O-N 2.66Å; V718-E721 WeakPolarHBondContact O-CB 3.46Å; V718-E721 PolarHBondContact O-N 2.86Å; V718-E721 VanDerWaalsContact O-N 3.14Å; M719-E721 VanDerWaalsContact C-N 3.29Å; M719-E721 PolarHBondContact O-N 3.05Å; E721-R724 CarbonylContact O-C 3.49Å; E721-R724 PolarHBondContact O-N 3.18Å; E721-R724 VanDerWaalsContact O-N 3.11Å; E721-C725 PolarHBondContact O-N 3.39Å; E721-C725 PolarHBondContact O-SG 3.28Å |
| 722 | V | 81.9 | Confident | 71 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 4% | 0.036 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.3 | -43.9 | 178.7 | 176.5 | 0 | 0 | 0 | 0 | 112.3 | A627 F685 V718 M719 R724 C725 F753 | A627-V722 HydrophobicContact CB-CG2 4.05Å; F685-V722 HydrophobicContact CD1-CG1 4.38Å; F685-V722 HydrophobicContact CD2-CG1 3.91Å; F685-V722 HydrophobicContact CE2-CG1 4.08Å; F685-V722 HydrophobicContact CG-CG1 4.1Å; F685-V722 HydrophobicContact CZ-CG1 4.39Å; V718-V722 HydrophobicContact CG1-CG2 4.32Å; V718-V722 WeakPolarHBondContact O-CG2 3.29Å; V718-V722 PolarHBondContact O-N 2.71Å; M719-V722 PolarHBondContact O-N 3.37Å; V722-R724 PolarHBondContact O-N 2.85Å; V722-C725 WeakPolarHBondContact O-CB 3.37Å; V722-C725 PolarHBondContact O-N 3.04Å; V722-C725 VanDerWaalsContact O-N 3.14Å; V722-F753 HydrophobicContact CG1-CE2 3.81Å; V722-F753 HydrophobicContact CG1-CZ 3.55Å |
| 723 | V | 80.6 | Confident | 70.3 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -27.3 | 175.1 | 169.1 | 0 | 0 | 0 | 0 | 111.8 | M719 F754 A924 L925 T928 | M719-V723 VanDerWaalsContact O-CB 3.31Å; M719-V723 WeakPolarHBondContact O-CB 3.5Å; M719-V723 VanDerWaalsContact O-CG2 3.25Å; M719-V723 WeakPolarHBondContact O-CG2 3.37Å; M719-V723 PolarHBondContact O-N 3.33Å; V723-F754 HydrophobicContact CG2-CE1 4.26Å; V723-A924 HydrophobicContact CG1-CB 4.21Å; V723-L925 HydrophobicContact CG1-CD2 4.06Å; V723-L925 HydrophobicContact CG2-CD2 4.45Å; V723-T928 HydrophobicContact CG1-CG2 4.42Å |
| 724 | R | 76.6 | Confident | 68.8 | Low | 123 Ų | 123 | 48 Ų | 48 | 46% | 0.464 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -13.3 | 175.8 | -85.6 | -175.5 | -89.8 | 162 | -10.8 | 114.5 | S720 E721 V722 A924 | S720-R724 WeakPolarHBondContact O-CB 3.5Å; S720-R724 WeakPolarHBondContact O-CG 3.35Å; S720-R724 PolarHBondContact O-N 3.14Å; S720-R724 PolarHBondContact O-NE 3.3Å; S720-R724 PolarHBondContact OG-NH2 3.41Å; E721-R724 CarbonylContact O-C 3.49Å; E721-R724 PolarHBondContact O-N 3.18Å; E721-R724 VanDerWaalsContact O-N 3.11Å; V722-R724 PolarHBondContact O-N 2.85Å; R724-A924 HydrophobicContact CG-CB 4.07Å |
| 725 | C | 73.7 | Confident | 67.6 | Low | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -56.3 | 145.7 | 175.2 | -67.5 | 0 | 0 | 0 | 0 | 109.7 | A627 V630 L631 E721 V722 W727 | A627-C725 PolarHBondContact O-SG 2.73Å; V630-C725 HydrophobicContact CG1-CB 4.19Å; L631-C725 HydrophobicContact CG-CB 4.44Å; E721-C725 PolarHBondContact O-N 3.39Å; E721-C725 PolarHBondContact O-SG 3.28Å; V722-C725 WeakPolarHBondContact O-CB 3.37Å; V722-C725 PolarHBondContact O-N 3.04Å; V722-C725 VanDerWaalsContact O-N 3.14Å; C725-W727 PolarHBondContact O-N 3.28Å |
| 726 | P | 61.2 | Low | 66.1 | Low | 44 Ų | 44 | 48 Ų | 48 | 29% | 0.286 | 25% | 0.245 | S | C | . | . | trans | -62.1 | 109.4 | 164.9 | 25.1 | -32.9 | 0 | 0 | 0 | 109.3 | V630 Y728 | V630-P726 HydrophobicContact CG1-CG 4.21Å; P726-Y728 HydrophobicContact CB-CD1 4.36Å; P726-Y728 HydrophobicContact CB-CD2 3.99Å; P726-Y728 HydrophobicContact CB-CE1 4.05Å; P726-Y728 HydrophobicContact CB-CE2 3.67Å; P726-Y728 HydrophobicContact CB-CG 4.33Å; P726-Y728 HydrophobicContact CG-CD2 3.99Å; P726-Y728 HydrophobicContact CG-CE1 4.3Å; P726-Y728 HydrophobicContact CG-CE2 3.27Å; P726-Y728 VanDerWaalsContact CG-CZ 3.44Å; P726-Y728 WeakPolarHBondContact CG-OH 3.46Å; P726-Y728 VanDerWaalsContact O-CD2 3.31Å; P726-Y728 WeakPolarHBondContact O-CD2 3.39Å; P726-Y728 PolarHBondContact O-N 3.02Å | ||
| 727 | W | 61.5 | Low | 64.4 | Low | 31 Ų | 31 | 56.9 Ų | 56.9 | 12% | 0.117 | 29% | 0.286 | C | S | . | . | trans | -73.8 | 86 | 163.9 | -63.1 | 57.3 | 0 | 0 | 0 | 106 | V682 C725 G729 F746 S750 F753 F754 | V682-W727 HydrophobicContact CB-CE3 4.34Å; V682-W727 HydrophobicContact CB-CZ3 4.22Å; V682-W727 HydrophobicContact CG1-CE3 4.07Å; V682-W727 HydrophobicContact CG1-CH2 4.29Å; V682-W727 HydrophobicContact CG1-CZ3 3.5Å; V682-W727 VanDerWaalsContact CG1-CZ3 3.5Å; V682-W727 HydrophobicContact CG2-CD2 4.16Å; V682-W727 HydrophobicContact CG2-CE3 3.35Å; V682-W727 HydrophobicContact CG2-CZ3 3.71Å; C725-W727 PolarHBondContact O-N 3.28Å; W727-G729 VanDerWaalsContact C-N 3.3Å; W727-G729 PolarHBondContact O-N 2.96Å; W727-F746 HydrophobicContact CB-CE2 4.15Å; W727-F746 HydrophobicContact CB-CZ 3.8Å; W727-F746 HydrophobicContact CE3-CE2 4.33Å; W727-F746 AromaticContact CE3-CZ 3.96Å; W727-F746 HydrophobicContact CE3-CZ 3.96Å; W727-S750 VanDerWaalsContact CZ3-OG 3.24Å; W727-S750 WeakPolarHBondContact CZ3-OG 3.47Å; W727-F753 HydrophobicContact CH2-CB 4.03Å; W727-F753 AromaticContact CH2-CD1 3.42Å; W727-F753 HydrophobicContact CH2-CD1 3.42Å; W727-F753 VanDerWaalsContact CH2-CD1 3.42Å; W727-F753 HydrophobicContact CH2-CD2 4.38Å; W727-F753 AromaticContact CH2-CE1 3.96Å; W727-F753 HydrophobicContact CH2-CE1 3.96Å; W727-F753 AromaticContact CH2-CG 3.68Å; W727-F753 HydrophobicContact CH2-CG 3.68Å; W727-F753 AromaticContact CZ2-CD1 3.77Å; W727-F753 HydrophobicContact CZ2-CD1 3.77Å; W727-F753 AromaticContact CZ2-CE1 3.8Å; W727-F753 HydrophobicContact CZ2-CE1 3.8Å; W727-F753 HydrophobicContact CZ2-CG 4.3Å; W727-F753 HydrophobicContact CZ2-CZ 4.35Å; W727-F754 HydrophobicContact CH2-CD2 4.11Å; W727-F754 AromaticContact CH2-CE2 3.56Å; W727-F754 HydrophobicContact CH2-CE2 3.56Å; W727-F754 HydrophobicContact CH2-CZ 4.19Å; W727-F754 AromaticContact CZ2-CE2 3.73Å; W727-F754 HydrophobicContact CZ2-CE2 3.73Å; W727-F754 AromaticContact CZ2-CZ 3.9Å; W727-F754 HydrophobicContact CZ2-CZ 3.9Å; W727-F754 HydrophobicContact CZ3-CE2 4.23Å | ||
| 728 | Y | 49 | Very low | 62.8 | Low | 71 Ų | 71 | 57.8 Ų | 57.8 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | trans | -63.7 | 86.3 | -175.5 | -72.7 | -78.7 | 0 | 0 | 0 | 111 | V630 L633 D678 P726 | V630-Y728 HydrophobicContact CG1-CD2 4.37Å; V630-Y728 HydrophobicContact CG1-CE2 4.14Å; L633-Y728 PolarHBondContact O-OH 3.23Å; D678-Y728 CarbonylContact C-O 3.6Å; D678-Y728 PolarHBondContact N-O 2.9Å; P726-Y728 HydrophobicContact CB-CD1 4.36Å; P726-Y728 HydrophobicContact CB-CD2 3.99Å; P726-Y728 HydrophobicContact CB-CE1 4.05Å; P726-Y728 HydrophobicContact CB-CE2 3.67Å; P726-Y728 HydrophobicContact CB-CG 4.33Å; P726-Y728 HydrophobicContact CG-CD2 3.99Å; P726-Y728 HydrophobicContact CG-CE1 4.3Å; P726-Y728 HydrophobicContact CG-CE2 3.27Å; P726-Y728 VanDerWaalsContact CG-CZ 3.44Å; P726-Y728 WeakPolarHBondContact CG-OH 3.46Å; P726-Y728 VanDerWaalsContact O-CD2 3.31Å; P726-Y728 WeakPolarHBondContact O-CD2 3.39Å; P726-Y728 PolarHBondContact O-N 3.02Å | ||
| 729 | G | 48 | Very low | 61.3 | Low | 10 Ų | 10 | 63.4 Ų | 63.4 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | trans | -176.5 | 59.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N677 W727 H731 | N677-G729 VanDerWaalsContact ND2-CA 3.31Å; N677-G729 WeakPolarHBondContact ND2-CA 3.36Å; N677-G729 PolarHBondContact ND2-O 3.46Å; N677-G729 WeakPolarHBondContact OD1-CA 3.34Å; N677-G729 PolarHBondContact OD1-O 3.34Å; W727-G729 VanDerWaalsContact C-N 3.3Å; W727-G729 PolarHBondContact O-N 2.96Å; G729-H731 PolarHBondContact O-N 3.15Å; G729-H731 PolarHBondContact O-ND1 3.41Å | ||
| 730 | V | 44.2 | Very low | 60 | Low | 110 Ų | 110 | 66.4 Ų | 66.4 | 67% | 0.667 | 34% | 0.335 | S | S | * | . | trans | -73.2 | 71.7 | 170.6 | -169.6 | 0 | 0 | 0 | 0 | 109.3 | Y732 | V730-Y732 HydrophobicContact CG1-CE2 4.45Š| ||
| 731 | H | 55.5 | Low | 59.3 | Low | 20 Ų | 20 | 68.2 Ų | 68.2 | 9% | 0.093 | 34% | 0.342 | C | S | . | . | trans | -90.3 | 145.3 | 172.7 | 63.7 | -53.8 | 0 | 0 | 0 | 110.8 | N677 G729 C733 C744 F746 C747 | N677-H731 PolarHBondContact ND2-ND1 2.95Å; N677-H731 VanDerWaalsContact OD1-CB 3.3Å; N677-H731 WeakPolarHBondContact OD1-CB 3.32Å; N677-H731 PolarHBondContact OD1-N 2.93Å; G729-H731 PolarHBondContact O-N 3.15Å; G729-H731 PolarHBondContact O-ND1 3.41Å; H731-C733 PolarHBondContact CD2-SG 2.82Å; H731-C744 PolarHBondContact CD2-SG 3.01Å; H731-C744 PolarHBondContact NE2-SG 2.97Å; H731-F746 AromaticContact CE1-CD1 3.11Å; H731-F746 WeakPolarHBondContact CE1-CD1 3.12Å; H731-F746 AromaticContact CE1-CE1 3.67Å; H731-F746 AromaticContact CE1-CG 3.76Å; H731-F746 AromaticContact ND1-CD1 3.63Å; H731-F746 AromaticContact ND1-CG 3.92Å; H731-F746 AromaticContact NE2-CD1 3.91Å; H731-C747 PolarHBondContact NE2-SG 3.03Å | ||
| 732 | Y | 52.7 | Low | 58.3 | Low | 160 Ų | 160 | 69.1 Ų | 69.1 | 63% | 0.627 | 36% | 0.356 | S | S | * | . | trans | -101.7 | 83.2 | 178 | -58.4 | -82.1 | 0 | 0 | 0 | 109.5 | V730 K734 | V730-Y732 HydrophobicContact CG1-CE2 4.45Å; Y732-K734 PolarHBondContact O-N 3.43Å | ||
| 733 | C | 61.6 | Low | 57.4 | Low | 22 Ų | 22 | 73.8 Ų | 73.8 | 15% | 0.149 | 38% | 0.381 | C | S | . | . | trans | -64.7 | 80.5 | 164.4 | -87.5 | 0 | 0 | 0 | 0 | 110.8 | H731 Y741 C744 | H731-C733 PolarHBondContact CD2-SG 2.82Å; C733-Y741 HydrophobicContact CB-CD1 3.94Å; C733-Y741 HydrophobicContact CB-CE1 3.97Å; C733-C744 WeakPolarHBondContact SG-CB 3.46Å; C733-C744 VanDerWaalsContact SG-SG 3.64Å | ||
| 734 | K | 50.7 | Low | 56.9 | Low | 174 Ų | 174 | 75 Ų | 75 | 76% | 0.757 | 39% | 0.389 | S | S | * | . | trans | -129.9 | 50.8 | 172.2 | -69.9 | -165.3 | 173.6 | -171.9 | 0 | 110.8 | H669 Y732 | H669-K734 PolarHBondContact NE2-O 3.17Å; Y732-K734 PolarHBondContact O-N 3.43Å | ||
| 735 | N | 51 | Low | 56.5 | Low | 38 Ų | 38 | 72.1 Ų | 72.1 | 20% | 0.203 | 38% | 0.383 | C | S | . | . | trans | -101.1 | 121.1 | 159.5 | -154.6 | 5.2 | 0 | 0 | 0 | 109.6 | H669 E737 C738 | H669-N735 PolarHBondContact CD2-OD1 3.03Å; H669-N735 VanDerWaalsContact CD2-OD1 3.28Å; H669-N735 WeakPolarHBondContact CE1-CB 3.17Å; H669-N735 VanDerWaalsContact NE2-CA 3.3Å; H669-N735 WeakPolarHBondContact NE2-CA 3.27Å; H669-N735 WeakPolarHBondContact NE2-CB 2.99Å; H669-N735 PolarHBondContact NE2-OD1 3.39Å; N735-E737 VanDerWaalsContact C-N 3.34Å; N735-C738 HydrophobicContact CB-CB 4.31Å | ||
| 736 | A | 52.2 | Low | 56.4 | Low | 88 Ų | 88 | 72.2 Ų | 72.2 | 73% | 0.727 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -5.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 737 | E | 46.9 | Very low | 57.1 | Low | 186 Ų | 186 | 70.2 Ų | 70.2 | 87% | 0.869 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -10 | 179.3 | -60.8 | -173.8 | 162.2 | 0 | 0 | 113.4 | N735 | N735-E737 VanDerWaalsContact C-N 3.34Š|
| 738 | C | 47.5 | Very low | 57.9 | Low | 50 Ų | 50 | 73.5 Ų | 73.5 | 34% | 0.338 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 168.3 | 165.9 | -75.9 | 0 | 0 | 0 | 0 | 108.8 | N735 E740 D743 | N735-C738 HydrophobicContact CB-CB 4.31Å; C738-E740 PolarHBondContact O-N 3.17Å; C738-D743 WeakPolarHBondContact CA-OD2 3.47Å; C738-D743 HydrophobicContact CB-CB 4.14Å; C738-D743 WeakPolarHBondContact CB-OD2 3.46Å; C738-D743 PolarHBondContact SG-OD2 3.19Å; C738-D743 VanDerWaalsContact SG-OD2 3.42Å |
| 739 | D | 49.6 | Very low | 59.3 | Low | 138 Ų | 138 | 70.7 Ų | 70.7 | 74% | 0.738 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | 48.8 | 173.2 | -88.9 | -25.1 | 0 | 0 | 0 | 111.6 | Y741 A742 D743 | D739-Y741 PolarHBondContact O-N 2.82Å; D739-A742 HydrophobicContact CB-CB 3.91Å; D739-A742 PolarHBondContact O-N 2.71Å; D739-D743 PolarHBondContact N-OD2 3.2Å |
| 740 | E | 57.1 | Low | 60.8 | Low | 77 Ų | 77 | 70.3 Ų | 70.3 | 36% | 0.36 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 39.8 | -57.4 | -172.4 | -65 | -164.5 | 163 | 0 | 0 | 117.2 | C738 Y986 | C738-E740 PolarHBondContact O-N 3.17Å; E740-Y986 PolarHBondContact OE2-OH 2.64Å |
| 741 | Y | 65 | Low | 62.6 | Low | 38 Ų | 38 | 65.8 Ų | 65.8 | 15% | 0.149 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -29.9 | -173.4 | -52.6 | -78.1 | 0 | 0 | 0 | 112.8 | C733 D739 D743 C744 C747 P933 D934 P935 | C733-Y741 HydrophobicContact CB-CD1 3.94Å; C733-Y741 HydrophobicContact CB-CE1 3.97Å; D739-Y741 PolarHBondContact O-N 2.82Å; Y741-D743 VanDerWaalsContact C-N 3.28Å; Y741-D743 PolarHBondContact O-N 2.96Å; Y741-C744 PolarHBondContact O-N 3.15Å; Y741-C747 VanDerWaalsContact O-CB 3.28Å; Y741-C747 WeakPolarHBondContact O-CB 3.12Å; Y741-P933 HydrophobicContact CE1-CB 3.98Å; Y741-P933 HydrophobicContact CE1-CG 4.46Å; Y741-D934 HydrophobicContact CD1-CB 3.99Å; Y741-D934 HydrophobicContact CG-CB 4.25Å; Y741-P935 HydrophobicContact CD2-CG 3.76Å; Y741-P935 HydrophobicContact CE2-CG 3.91Å |
| 742 | A | 58.8 | Low | 64 | Low | 57 Ų | 57 | 67.2 Ų | 67.2 | 47% | 0.471 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -32.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D739 | D739-A742 HydrophobicContact CB-CB 3.91Å; D739-A742 PolarHBondContact O-N 2.71Å |
| 743 | D | 61.8 | Low | 65.6 | Low | 105 Ų | 105 | 60 Ų | 60 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -10.6 | 177 | -71.4 | -41.8 | 0 | 0 | 0 | 113.5 | C738 D739 Y741 | C738-D743 WeakPolarHBondContact CA-OD2 3.47Å; C738-D743 HydrophobicContact CB-CB 4.14Å; C738-D743 WeakPolarHBondContact CB-OD2 3.46Å; C738-D743 PolarHBondContact SG-OD2 3.19Å; C738-D743 VanDerWaalsContact SG-OD2 3.42Å; D739-D743 PolarHBondContact N-OD2 3.2Å; Y741-D743 VanDerWaalsContact C-N 3.28Å; Y741-D743 PolarHBondContact O-N 2.96Å |
| 744 | C | 70.5 | Confident | 66.9 | Low | 26 Ų | 26 | 58.9 Ų | 58.9 | 18% | 0.176 | 32% | 0.315 | C | S | . | . | trans | -88.1 | 121.9 | 176.9 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | H731 C733 Y741 F746 C747 R748 | H731-C744 PolarHBondContact CD2-SG 3.01Å; H731-C744 PolarHBondContact NE2-SG 2.97Å; C733-C744 WeakPolarHBondContact SG-CB 3.46Å; C733-C744 VanDerWaalsContact SG-SG 3.64Å; Y741-C744 PolarHBondContact O-N 3.15Å; C744-F746 PolarHBondContact O-N 3.43Å; C744-C747 HydrophobicContact CB-CB 3.94Å; C744-C747 PolarHBondContact O-N 3.48Å; C744-R748 VanDerWaalsContact O-CB 3.25Å; C744-R748 WeakPolarHBondContact O-CB 3.34Å; C744-R748 PolarHBondContact O-N 3.05Å | ||
| 745 | L | 68.9 | Low | 68.6 | Low | 64 Ų | 64 | 54.1 Ų | 54.1 | 34% | 0.335 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -55.8 | -48.2 | 177.2 | -61.1 | 175.4 | 0 | 0 | 0 | 111.7 | A599 C747 D749 | A599-L745 HydrophobicContact CB-CD1 3.6Å; L745-C747 PolarHBondContact O-N 2.85Å; L745-D749 WeakPolarHBondContact O-CB 3.4Å; L745-D749 PolarHBondContact O-N 3.34Å |
| 746 | F | 70.6 | Confident | 70.1 | Confident | 8 Ų | 8 | 53.4 Ų | 53.4 | 4% | 0.035 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.4 | -50 | 176.1 | -176.5 | -88.9 | 0 | 0 | 0 | 112.1 | N677 N679 V682 W727 H731 C744 S750 | N677-F746 WeakPolarHBondContact ND2-CD2 3.43Å; N677-F746 WeakPolarHBondContact ND2-CG 3.4Å; N679-F746 HydrophobicContact CB-CB 4.48Å; N679-F746 HydrophobicContact CB-CD2 3.78Å; N679-F746 WeakPolarHBondContact OD1-CB 3.44Å; N679-F746 WeakPolarHBondContact OD1-CD2 3.3Å; V682-F746 HydrophobicContact CG2-CD2 4.21Å; V682-F746 HydrophobicContact CG2-CE2 3.85Å; W727-F746 HydrophobicContact CB-CE2 4.15Å; W727-F746 HydrophobicContact CB-CZ 3.8Å; W727-F746 HydrophobicContact CE3-CE2 4.33Å; W727-F746 AromaticContact CE3-CZ 3.96Å; W727-F746 HydrophobicContact CE3-CZ 3.96Å; H731-F746 AromaticContact CE1-CD1 3.11Å; H731-F746 WeakPolarHBondContact CE1-CD1 3.12Å; H731-F746 AromaticContact CE1-CE1 3.67Å; H731-F746 AromaticContact CE1-CG 3.76Å; H731-F746 AromaticContact ND1-CD1 3.63Å; H731-F746 AromaticContact ND1-CG 3.92Å; H731-F746 AromaticContact NE2-CD1 3.91Å; C744-F746 PolarHBondContact O-N 3.43Å; F746-S750 WeakPolarHBondContact CE1-OG 3.41Å; F746-S750 WeakPolarHBondContact O-CB 3.29Å; F746-S750 PolarHBondContact O-N 3.46Å; F746-S750 PolarHBondContact O-OG 2.87Å |
| 747 | C | 76.9 | Confident | 71.8 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.4 | -59.3 | -179.2 | -75.7 | 0 | 0 | 0 | 0 | 110.2 | H731 Y741 C744 L745 D749 S750 T751 D934 | H731-C747 PolarHBondContact NE2-SG 3.03Å; Y741-C747 VanDerWaalsContact O-CB 3.28Å; Y741-C747 WeakPolarHBondContact O-CB 3.12Å; C744-C747 HydrophobicContact CB-CB 3.94Å; C744-C747 PolarHBondContact O-N 3.48Å; L745-C747 PolarHBondContact O-N 2.85Å; C747-D749 VanDerWaalsContact C-N 3.26Å; C747-D749 PolarHBondContact O-N 3.35Å; C747-S750 CarbonylContact O-C 3.56Å; C747-S750 VanDerWaalsContact O-CA 3.3Å; C747-S750 WeakPolarHBondContact O-CA 3.27Å; C747-S750 VanDerWaalsContact O-CB 3.22Å; C747-S750 WeakPolarHBondContact O-CB 3.48Å; C747-S750 PolarHBondContact O-N 3.18Å; C747-T751 PolarHBondContact O-N 3.45Å; C747-T751 PolarHBondContact O-OG1 3.17Å; C747-D934 HydrophobicContact CB-CB 4.22Å; C747-D934 WeakPolarHBondContact CB-OD2 3.27Å |
| 748 | R | 78.5 | Confident | 73.8 | Confident | 100 Ų | 100 | 40.8 Ų | 40.8 | 38% | 0.377 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -49.8 | -46.4 | 178.8 | -173.4 | -161.1 | 72.2 | -170.8 | -1.5 | 112.5 | C744 T751 V752 | C744-R748 VanDerWaalsContact O-CB 3.25Å; C744-R748 WeakPolarHBondContact O-CB 3.34Å; C744-R748 PolarHBondContact O-N 3.05Å; R748-T751 WeakPolarHBondContact CA-OG1 3.42Å; R748-T751 WeakPolarHBondContact O-CB 3.13Å; R748-T751 PolarHBondContact O-N 3.34Å; R748-T751 PolarHBondContact O-OG1 2.96Å; R748-V752 WeakPolarHBondContact O-CG2 3.28Å; R748-V752 PolarHBondContact O-N 3.45Å |
| 749 | D | 77.7 | Confident | 75.6 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 7% | 0.07 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71.7 | -37.1 | -178.9 | -64.6 | -8 | 0 | 0 | 0 | 109.9 | V682 I686 L745 C747 T751 V752 F753 | V682-D749 HydrophobicContact CG1-CB 4.34Å; I686-D749 HydrophobicContact CD1-CB 3.52Å; I686-D749 WeakPolarHBondContact CD1-O 3.32Å; L745-D749 WeakPolarHBondContact O-CB 3.4Å; L745-D749 PolarHBondContact O-N 3.34Å; C747-D749 VanDerWaalsContact C-N 3.26Å; C747-D749 PolarHBondContact O-N 3.35Å; D749-T751 PolarHBondContact O-N 2.89Å; D749-V752 PolarHBondContact O-N 3.42Å; D749-F753 PolarHBondContact O-N 3.45Å |
| 750 | S | 79.5 | Confident | 77.3 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.4 | -42.5 | 167 | -56 | 0 | 0 | 0 | 0 | 112.5 | W727 F746 C747 V752 F753 F754 | W727-S750 VanDerWaalsContact CZ3-OG 3.24Å; W727-S750 WeakPolarHBondContact CZ3-OG 3.47Å; F746-S750 WeakPolarHBondContact CE1-OG 3.41Å; F746-S750 WeakPolarHBondContact O-CB 3.29Å; F746-S750 PolarHBondContact O-N 3.46Å; F746-S750 PolarHBondContact O-OG 2.87Å; C747-S750 CarbonylContact O-C 3.56Å; C747-S750 VanDerWaalsContact O-CA 3.3Å; C747-S750 WeakPolarHBondContact O-CA 3.27Å; C747-S750 VanDerWaalsContact O-CB 3.22Å; C747-S750 WeakPolarHBondContact O-CB 3.48Å; C747-S750 PolarHBondContact O-N 3.18Å; S750-V752 VanDerWaalsContact C-N 3.32Å; S750-V752 PolarHBondContact O-N 3.47Å; S750-F753 PolarHBondContact O-N 3.45Å; S750-F754 VanDerWaalsContact O-CD2 3.25Å; S750-F754 WeakPolarHBondContact O-CD2 3.2Å; S750-F754 PolarHBondContact O-N 3.12Å |
| 751 | T | 82.4 | Confident | 78.7 | Confident | 15 Ų | 15 | 34.5 Ų | 34.5 | 9% | 0.092 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.9 | -45.5 | 177.4 | -32.4 | 0 | 0 | 0 | 0 | 109.9 | C747 R748 D749 F754 Q755 D934 D936 Y940 | C747-T751 PolarHBondContact O-N 3.45Å; C747-T751 PolarHBondContact O-OG1 3.17Å; R748-T751 WeakPolarHBondContact CA-OG1 3.42Å; R748-T751 WeakPolarHBondContact O-CB 3.13Å; R748-T751 PolarHBondContact O-N 3.34Å; R748-T751 PolarHBondContact O-OG1 2.96Å; D749-T751 PolarHBondContact O-N 2.89Å; T751-F754 PolarHBondContact O-N 3.12Å; T751-Q755 WeakPolarHBondContact O-CB 3.26Å; T751-Q755 VanDerWaalsContact O-CG 3.31Å; T751-Q755 WeakPolarHBondContact O-CG 3.33Å; T751-Q755 PolarHBondContact O-N 2.83Å; T751-D934 PolarHBondContact OG1-OD2 3.28Å; T751-D936 HydrophobicContact CG2-CB 3.49Å; T751-D936 VanDerWaalsContact CG2-CB 3.49Å; T751-Y940 HydrophobicContact CG2-CD2 4.04Å; T751-Y940 HydrophobicContact CG2-CE2 3.73Å |
| 752 | V | 83.3 | Confident | 79.6 | Confident | 50 Ų | 50 | 37.2 Ų | 37.2 | 30% | 0.303 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.3 | -48.8 | 175 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | I686 R748 D749 S750 F754 Q755 L756 | I686-V752 HydrophobicContact CD1-CB 4.47Å; I686-V752 HydrophobicContact CD1-CG1 4.47Å; I686-V752 HydrophobicContact CG1-CG1 4.5Å; I686-V752 HydrophobicContact CG2-CG1 3.99Å; R748-V752 WeakPolarHBondContact O-CG2 3.28Å; R748-V752 PolarHBondContact O-N 3.45Å; D749-V752 PolarHBondContact O-N 3.42Å; S750-V752 VanDerWaalsContact C-N 3.32Å; S750-V752 PolarHBondContact O-N 3.47Å; V752-F754 VanDerWaalsContact C-N 3.31Å; V752-F754 PolarHBondContact O-N 3.21Å; V752-Q755 WeakPolarHBondContact O-CB 3.45Å; V752-Q755 PolarHBondContact O-N 2.95Å; V752-L756 HydrophobicContact CG1-CD1 4.38Å; V752-L756 WeakPolarHBondContact O-CG 3.32Å; V752-L756 PolarHBondContact O-N 3.33Å |
| 753 | F | 87.5 | Confident | 80.6 | Confident | 8 Ų | 8 | 36.4 Ų | 36.4 | 4% | 0.035 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54.7 | -47 | 175 | 174.7 | -83.2 | 0 | 0 | 0 | 111.9 | F685 I686 L689 V722 W727 D749 S750 L756 A757 | F685-F753 HydrophobicContact CB-CD2 3.97Å; F685-F753 HydrophobicContact CB-CE2 3.91Å; I686-F753 HydrophobicContact CG1-CB 4Å; L689-F753 HydrophobicContact CD1-CD2 3.44Å; L689-F753 VanDerWaalsContact CD1-CD2 3.44Å; L689-F753 HydrophobicContact CD1-CE2 3.47Å; L689-F753 VanDerWaalsContact CD1-CE2 3.47Å; L689-F753 HydrophobicContact CD1-CG 4.13Å; L689-F753 HydrophobicContact CD1-CZ 4.19Å; L689-F753 HydrophobicContact CG-CD2 4.29Å; L689-F753 HydrophobicContact CG-CE2 4.11Å; V722-F753 HydrophobicContact CG1-CE2 3.81Å; V722-F753 HydrophobicContact CG1-CZ 3.55Å; W727-F753 HydrophobicContact CH2-CB 4.03Å; W727-F753 AromaticContact CH2-CD1 3.42Å; W727-F753 HydrophobicContact CH2-CD1 3.42Å; W727-F753 VanDerWaalsContact CH2-CD1 3.42Å; W727-F753 HydrophobicContact CH2-CD2 4.38Å; W727-F753 AromaticContact CH2-CE1 3.96Å; W727-F753 HydrophobicContact CH2-CE1 3.96Å; W727-F753 AromaticContact CH2-CG 3.68Å; W727-F753 HydrophobicContact CH2-CG 3.68Å; W727-F753 AromaticContact CZ2-CD1 3.77Å; W727-F753 HydrophobicContact CZ2-CD1 3.77Å; W727-F753 AromaticContact CZ2-CE1 3.8Å; W727-F753 HydrophobicContact CZ2-CE1 3.8Å; W727-F753 HydrophobicContact CZ2-CG 4.3Å; W727-F753 HydrophobicContact CZ2-CZ 4.35Å; D749-F753 PolarHBondContact O-N 3.45Å; S750-F753 PolarHBondContact O-N 3.45Å; F753-L756 PolarHBondContact O-N 3.05Å; F753-A757 HydrophobicContact CE1-CB 4.3Å; F753-A757 WeakPolarHBondContact O-CB 3.45Å; F753-A757 PolarHBondContact O-N 3.19Å |
| 754 | F | 88.2 | Confident | 81.6 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -73.6 | -27.7 | -177.3 | -80.4 | -71.4 | 0 | 0 | 0 | 113.4 | V723 W727 S750 T751 V752 V758 L925 V937 M941 M944 | V723-F754 HydrophobicContact CG2-CE1 4.26Å; W727-F754 HydrophobicContact CH2-CD2 4.11Å; W727-F754 AromaticContact CH2-CE2 3.56Å; W727-F754 HydrophobicContact CH2-CE2 3.56Å; W727-F754 HydrophobicContact CH2-CZ 4.19Å; W727-F754 AromaticContact CZ2-CE2 3.73Å; W727-F754 HydrophobicContact CZ2-CE2 3.73Å; W727-F754 AromaticContact CZ2-CZ 3.9Å; W727-F754 HydrophobicContact CZ2-CZ 3.9Å; W727-F754 HydrophobicContact CZ3-CE2 4.23Å; S750-F754 VanDerWaalsContact O-CD2 3.25Å; S750-F754 WeakPolarHBondContact O-CD2 3.2Å; S750-F754 PolarHBondContact O-N 3.12Å; T751-F754 PolarHBondContact O-N 3.12Å; V752-F754 VanDerWaalsContact C-N 3.31Å; V752-F754 PolarHBondContact O-N 3.21Å; F754-V758 VanDerWaalsContact O-CG2 3.28Å; F754-V758 WeakPolarHBondContact O-CG2 3.35Å; F754-V758 PolarHBondContact O-N 3.39Å; F754-L925 HydrophobicContact CE1-CD2 4.37Å; F754-V937 HydrophobicContact CD2-CB 4.27Å; F754-V937 HydrophobicContact CD2-CG1 3.52Å; F754-V937 HydrophobicContact CD2-CG2 4Å; F754-V937 HydrophobicContact CE2-CG1 3.63Å; F754-V937 HydrophobicContact CG-CG1 4.27Å; F754-V937 HydrophobicContact CZ-CG1 4.44Å; F754-M941 HydrophobicContact CD1-CG 3.81Å; F754-M941 HydrophobicContact CE1-CG 3.65Å; F754-M941 HydrophobicContact CE1-SD 4.27Å; F754-M941 HydrophobicContact CG-CG 4.39Å; F754-M941 HydrophobicContact CZ-CG 4.1Å; F754-M941 HydrophobicContact CZ-SD 4.14Å; F754-M944 HydrophobicContact CD1-CE 3.68Å; F754-M944 HydrophobicContact CE1-CE 4.04Å |
| 755 | Q | 86.3 | Confident | 81.9 | Confident | 73 Ų | 73 | 31 Ų | 31 | 34% | 0.341 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -60.1 | -52.2 | 166.8 | -77.9 | 170.5 | -4.1 | 0 | 0 | 110.8 | T751 V752 A757 V758 E759 Y940 | T751-Q755 WeakPolarHBondContact O-CB 3.26Å; T751-Q755 VanDerWaalsContact O-CG 3.31Å; T751-Q755 WeakPolarHBondContact O-CG 3.33Å; T751-Q755 PolarHBondContact O-N 2.83Å; V752-Q755 WeakPolarHBondContact O-CB 3.45Å; V752-Q755 PolarHBondContact O-N 2.95Å; Q755-A757 VanDerWaalsContact C-N 3.31Å; Q755-A757 PolarHBondContact O-N 3.27Å; Q755-V758 WeakPolarHBondContact O-CB 3.17Å; Q755-V758 PolarHBondContact O-N 3.46Å; Q755-V758 VanDerWaalsContact O-N 3.16Å; Q755-E759 PolarHBondContact O-N 2.96Å; Q755-Y940 HydrophobicContact CG-CD1 4.25Å; Q755-Y940 HydrophobicContact CG-CD2 3.9Å; Q755-Y940 HydrophobicContact CG-CE1 3.79Å; Q755-Y940 HydrophobicContact CG-CE2 3.43Å; Q755-Y940 VanDerWaalsContact CG-CE2 3.43Å; Q755-Y940 HydrophobicContact CG-CG 4.31Å; Q755-Y940 PolarHBondContact NE2-OH 3.15Å |
| 756 | L | 83.6 | Confident | 82 | Confident | 24 Ų | 24 | 29.5 Ų | 29.5 | 13% | 0.126 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.1 | -37.5 | 178.8 | -60.5 | -176.1 | 0 | 0 | 0 | 112 | L689 M693 V752 F753 E759 L760 | L689-L756 HydrophobicContact CB-CD1 4.07Å; L689-L756 HydrophobicContact CD1-CB 3.96Å; M693-L756 HydrophobicContact CE-CB 4.48Å; M693-L756 HydrophobicContact CE-CD1 3.62Å; M693-L756 HydrophobicContact CE-CD2 3.55Å; M693-L756 HydrophobicContact CE-CG 4.04Å; M693-L756 HydrophobicContact SD-CB 4.27Å; M693-L756 HydrophobicContact SD-CD1 4.46Å; M693-L756 HydrophobicContact SD-CD2 3.89Å; M693-L756 HydrophobicContact SD-CG 4.4Å; V752-L756 HydrophobicContact CG1-CD1 4.38Å; V752-L756 WeakPolarHBondContact O-CG 3.32Å; V752-L756 PolarHBondContact O-N 3.33Å; F753-L756 PolarHBondContact O-N 3.05Å; L756-E759 PolarHBondContact O-N 2.96Å; L756-L760 WeakPolarHBondContact O-CB 3.49Å; L756-L760 PolarHBondContact O-N 3.48Å |
| 757 | A | 88.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.3 | -39 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M719 F753 Q755 L760 V761 M944 | M719-A757 HydrophobicContact CE-CB 3.56Å; F753-A757 HydrophobicContact CE1-CB 4.3Å; F753-A757 WeakPolarHBondContact O-CB 3.45Å; F753-A757 PolarHBondContact O-N 3.19Å; Q755-A757 VanDerWaalsContact C-N 3.31Å; Q755-A757 PolarHBondContact O-N 3.27Å; A757-L760 PolarHBondContact O-N 3.21Å; A757-V761 WeakPolarHBondContact O-CG2 3.2Å; A757-V761 PolarHBondContact O-N 2.7Å; A757-M944 HydrophobicContact CB-CE 4.49Å; A757-M944 HydrophobicContact CB-SD 4.14Å |
| 758 | V | 88.8 | Confident | 80.5 | Confident | 8 Ų | 8 | 39.3 Ų | 39.3 | 5% | 0.048 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.1 | -46.6 | 173.8 | 166.8 | 0 | 0 | 0 | 0 | 110.9 | F754 Q755 L760 V761 Q762 Y940 L943 M944 | F754-V758 VanDerWaalsContact O-CG2 3.28Å; F754-V758 WeakPolarHBondContact O-CG2 3.35Å; F754-V758 PolarHBondContact O-N 3.39Å; Q755-V758 WeakPolarHBondContact O-CB 3.17Å; Q755-V758 PolarHBondContact O-N 3.46Å; Q755-V758 VanDerWaalsContact O-N 3.16Å; V758-L760 VanDerWaalsContact C-N 3.27Å; V758-L760 PolarHBondContact O-N 3.24Å; V758-V761 PolarHBondContact O-N 2.98Å; V758-Q762 HydrophobicContact CG1-CG 4.29Å; V758-Q762 VanDerWaalsContact CG1-NE2 3.31Å; V758-Q762 WeakPolarHBondContact O-CB 3.34Å; V758-Q762 VanDerWaalsContact O-CG 3.3Å; V758-Q762 WeakPolarHBondContact O-CG 3.21Å; V758-Q762 PolarHBondContact O-N 3.43Å; V758-Y940 HydrophobicContact CG2-CD1 4.03Å; V758-Y940 HydrophobicContact CG2-CG 4.35Å; V758-Y940 VanDerWaalsContact CG2-O 3.23Å; V758-Y940 WeakPolarHBondContact CG2-O 3.22Å; V758-L943 HydrophobicContact CG1-CD2 3.92Å; V758-L943 HydrophobicContact CG1-CG 4.23Å; V758-M944 HydrophobicContact CB-CG 4.42Å; V758-M944 HydrophobicContact CG2-CG 3.6Å; V758-M944 HydrophobicContact CG2-SD 4.37Å |
| 759 | E | 84.3 | Confident | 79.2 | Confident | 120 Ų | 120 | 38.8 Ų | 38.8 | 56% | 0.561 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -59.2 | -41.1 | 176.8 | -69.3 | -169 | 172.5 | 0 | 0 | 111.2 | Q755 L756 Q762 L763 | Q755-E759 PolarHBondContact O-N 2.96Å; L756-E759 PolarHBondContact O-N 2.96Å; E759-Q762 PolarHBondContact O-N 3.42Å; E759-L763 WeakPolarHBondContact O-CB 3.42Å; E759-L763 PolarHBondContact O-N 2.84Å |
| 760 | L | 85.9 | Confident | 77.7 | Confident | 13 Ų | 13 | 42.4 Ų | 42.4 | 7% | 0.068 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.6 | -42.7 | 175.5 | -173.9 | 57.5 | 0 | 0 | 0 | 112.9 | M696 V715 M719 L756 A757 V758 L763 L764 | M696-L760 HydrophobicContact CE-CD1 4.47Å; V715-L760 HydrophobicContact CG1-CD1 4.26Å; V715-L760 HydrophobicContact CG1-CD2 3.83Å; V715-L760 HydrophobicContact CG1-CG 4.07Å; M719-L760 HydrophobicContact CE-CD2 4.4Å; M719-L760 HydrophobicContact CG-CD2 4.4Å; M719-L760 HydrophobicContact SD-CD2 3.74Å; M719-L760 HydrophobicContact SD-CG 4.11Å; L756-L760 WeakPolarHBondContact O-CB 3.49Å; L756-L760 PolarHBondContact O-N 3.48Å; A757-L760 PolarHBondContact O-N 3.21Å; V758-L760 VanDerWaalsContact C-N 3.27Å; V758-L760 PolarHBondContact O-N 3.24Å; L760-L763 HydrophobicContact CD1-CD2 4.37Å; L760-L763 VanDerWaalsContact O-CB 3.23Å; L760-L763 WeakPolarHBondContact O-CB 3.44Å; L760-L763 PolarHBondContact O-N 3.47Å; L760-L764 WeakPolarHBondContact O-CG 3.49Å; L760-L764 PolarHBondContact O-N 2.89Å |
| 761 | V | 85.6 | Confident | 75.7 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.4 | -37.2 | 175.8 | 170.8 | 0 | 0 | 0 | 0 | 111.7 | L716 M719 A757 V758 L763 L764 S765 L921 M944 T947 L948 | L716-V761 HydrophobicContact CD2-CG2 4.22Å; M719-V761 HydrophobicContact CE-CG2 3.84Å; M719-V761 HydrophobicContact SD-CG2 4.13Å; A757-V761 WeakPolarHBondContact O-CG2 3.2Å; A757-V761 PolarHBondContact O-N 2.7Å; V758-V761 PolarHBondContact O-N 2.98Å; V761-L763 VanDerWaalsContact C-N 3.31Å; V761-L763 PolarHBondContact O-N 2.88Å; V761-L764 PolarHBondContact O-N 2.71Å; V761-S765 WeakPolarHBondContact O-CB 3.33Å; V761-S765 PolarHBondContact O-N 3.06Å; V761-S765 VanDerWaalsContact O-N 3.09Å; V761-S765 PolarHBondContact O-OG 2.68Å; V761-L921 HydrophobicContact CG2-CD2 4.4Å; V761-M944 HydrophobicContact CB-CG 4.35Å; V761-M944 HydrophobicContact CG2-CG 4.26Å; V761-M944 HydrophobicContact CG2-SD 3.89Å; V761-T947 HydrophobicContact CG1-CG2 4.33Å; V761-L948 HydrophobicContact CG1-CD2 4.32Å; V761-L948 HydrophobicContact CG1-CG 4.48Å |
| 762 | Q | 83.7 | Confident | 73.7 | Confident | 94 Ų | 94 | 54.2 Ų | 54.2 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.1 | -35.5 | 173.8 | -71.9 | 179 | 9.5 | 0 | 0 | 111.7 | V758 E759 L764 S765 | V758-Q762 HydrophobicContact CG1-CG 4.29Å; V758-Q762 VanDerWaalsContact CG1-NE2 3.31Å; V758-Q762 WeakPolarHBondContact O-CB 3.34Å; V758-Q762 VanDerWaalsContact O-CG 3.3Å; V758-Q762 WeakPolarHBondContact O-CG 3.21Å; V758-Q762 PolarHBondContact O-N 3.43Å; E759-Q762 PolarHBondContact O-N 3.42Å; Q762-L764 PolarHBondContact O-N 2.99Å; Q762-S765 PolarHBondContact O-N 3.38Å |
| 763 | L | 80.9 | Confident | 71.4 | Confident | 41 Ų | 41 | 57.7 Ų | 57.7 | 22% | 0.215 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.7 | -33.5 | 173.8 | -155.2 | 78.8 | 0 | 0 | 0 | 113.3 | M696 F701 K703 E704 E759 L760 V761 | M696-L763 HydrophobicContact CE-CD2 4.2Å; F701-L763 HydrophobicContact CD1-CD2 4.15Å; F701-L763 HydrophobicContact CE1-CD2 4.27Å; K703-L763 HydrophobicContact CB-CD1 4.4Å; K703-L763 HydrophobicContact CB-CG 4.41Å; K703-L763 HydrophobicContact CD-CD1 3.52Å; K703-L763 HydrophobicContact CD-CG 4.32Å; K703-L763 HydrophobicContact CG-CD1 3.8Å; K703-L763 HydrophobicContact CG-CG 4.03Å; E704-L763 PolarHBondContact N-O 2.86Å; E759-L763 WeakPolarHBondContact O-CB 3.42Å; E759-L763 PolarHBondContact O-N 2.84Å; L760-L763 HydrophobicContact CD1-CD2 4.37Å; L760-L763 VanDerWaalsContact O-CB 3.23Å; L760-L763 WeakPolarHBondContact O-CB 3.44Å; L760-L763 PolarHBondContact O-N 3.47Å; V761-L763 VanDerWaalsContact C-N 3.31Å; V761-L763 PolarHBondContact O-N 2.88Å |
| 764 | L | 81.2 | Confident | 68.5 | Low | 11 Ų | 11 | 66.5 Ų | 66.5 | 6% | 0.058 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -90.2 | -22.2 | -178 | -61.1 | 175.2 | 0 | 0 | 0 | 113.3 | F701 G706 A712 V715 L716 L760 V761 Q762 | F701-L764 HydrophobicContact CE1-CD2 4.33Å; F701-L764 HydrophobicContact CZ-CD2 4.39Å; G706-L764 CarbonylContact C-O 3.19Å; G706-L764 WeakPolarHBondContact CA-O 3.4Å; G706-L764 PolarHBondContact N-O 3.39Å; A712-L764 HydrophobicContact CB-CD1 4.28Å; A712-L764 HydrophobicContact CB-CD2 3.89Å; A712-L764 HydrophobicContact CB-CG 4.49Å; V715-L764 HydrophobicContact CB-CD1 4.36Å; V715-L764 HydrophobicContact CG1-CD1 4.04Å; L716-L764 HydrophobicContact CD2-CD1 4.06Å; L716-L764 HydrophobicContact CG-CD1 3.99Å; L760-L764 WeakPolarHBondContact O-CG 3.49Å; L760-L764 PolarHBondContact O-N 2.89Å; V761-L764 PolarHBondContact O-N 2.71Å; Q762-L764 PolarHBondContact O-N 2.99Å |
| 765 | S | 78.4 | Confident | 65.6 | Low | 6 Ų | 6 | 78.4 Ų | 78.4 | 4% | 0.042 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -80.5 | 150.4 | -172.2 | -62.6 | 0 | 0 | 0 | 0 | 112.7 | V761 Q762 T947 | V761-S765 WeakPolarHBondContact O-CB 3.33Å; V761-S765 PolarHBondContact O-N 3.06Å; V761-S765 VanDerWaalsContact O-N 3.09Å; V761-S765 PolarHBondContact O-OG 2.68Å; Q762-S765 PolarHBondContact O-N 3.38Å; S765-T947 VanDerWaalsContact OG-CG2 3.24Å; S765-T947 WeakPolarHBondContact OG-CG2 3.46Å |
| 766 | P | 69.6 | Low | 62.7 | Low | 32 Ų | 32 | 80.5 Ų | 80.5 | 21% | 0.208 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 157.8 | 173.9 | 33.4 | -34 | 0 | 0 | 0 | 111.2 | C952 | P766-C952 VanDerWaalsContact CD-SG 3.59Š|
| 767 | K | 60.6 | Low | 59.8 | Low | 117 Ų | 117 | 84.5 Ų | 84.5 | 51% | 0.509 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 132.8 | 177.4 | -80.4 | -172.4 | 166.9 | 91.5 | 0 | 111.5 | E704 G769 T770 | E704-K767 IonicContact OE1-NZ 2.58Å; E704-K767 PolarHBondContact OE1-NZ 3.21Å; E704-K767 IonicContact OE2-NZ 3.94Å; E704-K767 PolarHBondContact OE2-NZ 2.99Å; K767-G769 PolarHBondContact O-N 3.46Å; K767-T770 WeakPolarHBondContact CB-OG1 3.28Å; K767-T770 WeakPolarHBondContact O-CB 3.31Å; K767-T770 PolarHBondContact O-N 3.01Å; K767-T770 VanDerWaalsContact O-N 3.11Å; K767-T770 PolarHBondContact O-OG1 3.06Å |
| 768 | P | 56.2 | Low | 56.8 | Low | 98 Ų | 98 | 90.6 Ų | 90.6 | 64% | 0.636 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 130.8 | 178.5 | 25.2 | -33.9 | 0 | 0 | 0 | 110.8 | ||
| 769 | G | 51.9 | Low | 53.7 | Low | 89 Ų | 89 | 102 Ų | 102 | 92% | 0.918 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.1 | 3.2 | -175 | 0 | 0 | 0 | 0 | 0 | 115.5 | K767 | K767-G769 PolarHBondContact O-N 3.46Š|
| 770 | T | 45.5 | Very low | 50.6 | Low | 90 Ų | 90 | 107.7 Ų | 107.7 | 55% | 0.552 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 124 | 173.3 | -27.3 | 0 | 0 | 0 | 0 | 110 | K767 | K767-T770 WeakPolarHBondContact CB-OG1 3.28Å; K767-T770 WeakPolarHBondContact O-CB 3.31Å; K767-T770 PolarHBondContact O-N 3.01Å; K767-T770 VanDerWaalsContact O-N 3.11Å; K767-T770 PolarHBondContact O-OG1 3.06Å |
| 771 | E | 37.8 | Very low | 47.6 | Very low | 179 Ų | 179 | 117.1 Ų | 117.1 | 84% | 0.836 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 140.7 | 173.8 | -72.1 | -177 | 161.6 | 0 | 0 | 111.4 | ||
| 772 | P | 39.9 | Very low | 44.6 | Very low | 84 Ų | 84 | 121.7 Ų | 121.7 | 55% | 0.545 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 132.2 | 174.2 | -18.8 | 31.4 | 0 | 0 | 0 | 110.9 | E774 | P772-E774 PolarHBondContact O-N 2.88Å; P772-E774 VanDerWaalsContact O-N 3.16Å |
| 773 | P | 35.5 | Very low | 41.8 | Very low | 124 Ų | 124 | 123.8 Ų | 123.8 | 81% | 0.805 | 65% | 0.652 | S | S | * | * | trans | -68.2 | 115.6 | -176.3 | 25.7 | -33.8 | 0 | 0 | 0 | 112.1 | R775 | P773-R775 PolarHBondContact O-N 3.09Š| ||
| 774 | E | 26.4 | Very low | 39 | Very low | 193 Ų | 193 | 131.5 Ų | 131.5 | 90% | 0.902 | 68% | 0.684 | S | S | * | * | trans | -63.5 | 123.6 | 173.1 | -66.6 | -166.8 | 139.2 | 0 | 0 | 111.4 | P772 S776 | P772-E774 PolarHBondContact O-N 2.88Å; P772-E774 VanDerWaalsContact O-N 3.16Å; E774-S776 PolarHBondContact O-N 3.23Å; E774-S776 VanDerWaalsContact O-N 3.13Å | ||
| 775 | R | 26.7 | Very low | 36.4 | Very low | 250 Ų | 250 | 140.8 Ų | 140.8 | 94% | 0.943 | 72% | 0.724 | S | S | * | * | trans | -80.6 | 93.9 | 172.8 | -79.8 | -174.3 | 174.7 | 173 | 0.6 | 110.4 | P773 S777 | P773-R775 PolarHBondContact O-N 3.09Å; R775-S777 PolarHBondContact O-N 2.98Å | ||
| 776 | S | 25.8 | Very low | 33.8 | Very low | 116 Ų | 116 | 145.9 Ų | 145.9 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | trans | -52.1 | 129.8 | 170.6 | 61.7 | 0 | 0 | 0 | 0 | 112 | E774 | E774-S776 PolarHBondContact O-N 3.23Å; E774-S776 VanDerWaalsContact O-N 3.13Å | ||
| 777 | S | 23.7 | Very low | 31.6 | Very low | 109 Ų | 109 | 153.3 Ų | 153.3 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -72 | 134.8 | -174.3 | 51.1 | 0 | 0 | 0 | 0 | 114.1 | R775 | R775-S777 PolarHBondContact O-N 2.98Š| ||
| 778 | V | 23.8 | Very low | 29.9 | Very low | 128 Ų | 128 | 153.2 Ų | 153.2 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | 49.7 | 106.7 | 148.7 | -172.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 779 | R | 23.4 | Very low | 28.6 | Very low | 248 Ų | 248 | 154 Ų | 154 | 94% | 0.936 | 81% | 0.808 | S | S | * | * | -150.8 | 107.3 | 128.3 | -120.6 | 172.4 | -175.5 | -176.8 | 2.3 | 113 | |||||
| 780 | R | 20 | Very low | 27.2 | Very low | 239 Ų | 239 | 157.5 Ų | 157.5 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | -63.3 | 131 | 169.5 | -64 | 174.1 | 177.7 | 164.6 | -1.9 | 109.6 | ||||
| 781 | K | 24.1 | Very low | 26.3 | Very low | 211 Ų | 211 | 159.6 Ų | 159.6 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | -130.1 | 139.9 | 146.4 | -87.3 | -167.5 | 174 | -176.7 | 0 | 108.9 | ||||
| 782 | S | 21.2 | Very low | 25.7 | Very low | 96 Ų | 96 | 156.1 Ų | 156.1 | 67% | 0.671 | 81% | 0.808 | S | S | * | * | trans | -89.2 | -179.1 | -167.6 | 45.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 783 | D | 25.5 | Very low | 25 | Very low | 138 Ų | 138 | 164 Ų | 164 | 74% | 0.738 | 83% | 0.826 | S | S | * | * | trans | 91.4 | 86.7 | 153.7 | -49.1 | -46.7 | 0 | 0 | 0 | 117.8 | K785 | D783-K785 PolarHBondContact O-N 3.43Š| ||
| 784 | F | 21.5 | Very low | 24.2 | Very low | 203 Ų | 203 | 169.8 Ų | 169.8 | 89% | 0.89 | 83% | 0.832 | S | S | * | * | trans | -19.2 | 122.1 | 147.2 | -76.4 | -103.5 | 0 | 0 | 0 | 114.9 | ||||
| 785 | K | 27.4 | Very low | 24.2 | Very low | 207 Ų | 207 | 169.9 Ų | 169.9 | 90% | 0.9 | 84% | 0.835 | S | S | * | * | trans | -137.1 | 110.2 | 138.7 | -77 | -164.4 | 176.6 | 177.5 | 0 | 110.7 | D783 | D783-K785 PolarHBondContact O-N 3.43Š| ||
| 786 | S | 22.8 | Very low | 24 | Very low | 112 Ų | 112 | 163.5 Ų | 163.5 | 78% | 0.783 | 83% | 0.829 | S | S | * | * | trans | -75.2 | 131.1 | 164.4 | 40.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 787 | Q | 23.8 | Very low | 23.8 | Very low | 189 Ų | 189 | 162.2 Ų | 162.2 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | trans | -154.6 | 149.2 | 147 | -111.2 | 175.8 | -5.3 | 0 | 0 | 110.3 | ||||
| 788 | P | 25.7 | Very low | 23.9 | Very low | 114 Ų | 114 | 167.2 Ų | 167.2 | 74% | 0.74 | 83% | 0.833 | S | S | * | * | trans | -93.1 | 173.6 | -161.1 | 38.6 | -36.8 | 0 | 0 | 0 | 114 | ||||
| 789 | P | 28.5 | Very low | 23.9 | Very low | 115 Ų | 115 | 167 Ų | 167 | 75% | 0.747 | 83% | 0.832 | S | S | * | * | trans | -89.4 | -175 | -170.8 | 37.6 | -37.7 | 0 | 0 | 0 | 114.5 | ||||
| 790 | L | 22.1 | Very low | 24 | Very low | 163 Ų | 163 | 158.7 Ų | 158.7 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | 92.6 | 115.8 | -173.9 | -54.1 | 159.3 | 0 | 0 | 0 | 111.1 | ||||
| 791 | D | 25.9 | Very low | 24.1 | Very low | 133 Ų | 133 | 154.1 Ų | 154.1 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | -160.6 | 134.5 | 70.8 | -119.1 | -37.3 | 0 | 0 | 0 | 117.4 | R793 | D791-R793 PolarHBondContact O-N 3.09Š| |||
| 792 | S | 25.3 | Very low | 24.3 | Very low | 106 Ų | 106 | 152 Ų | 152 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | trans | -0.2 | 82.9 | 144.6 | 61.9 | 0 | 0 | 0 | 0 | 121 | R794 | S792-R794 PolarHBondContact O-N 3.21Š| ||
| 793 | R | 25.5 | Very low | 24.3 | Very low | 249 Ų | 249 | 156.4 Ų | 156.4 | 94% | 0.94 | 83% | 0.826 | S | S | * | * | trans | -92.6 | 92.6 | 160.6 | -83 | -168.9 | 173.5 | -165.8 | -1 | 113.5 | D791 M795 | D791-R793 PolarHBondContact O-N 3.09Å; R793-M795 PolarHBondContact O-N 3.39Å | ||
| 794 | R | 20.1 | Very low | 24.3 | Very low | 246 Ų | 246 | 157.3 Ų | 157.3 | 93% | 0.928 | 83% | 0.83 | S | S | * | * | trans | -68.7 | 118.1 | 154.2 | -91.4 | -179.2 | 173.1 | 169.2 | -1.5 | 109.3 | S792 | S792-R794 PolarHBondContact O-N 3.21Š| ||
| 795 | M | 25.7 | Very low | 24.5 | Very low | 195 Ų | 195 | 153.6 Ų | 153.6 | 96% | 0.961 | 83% | 0.826 | S | S | * | * | trans | -139.1 | 126.7 | 147.5 | -89.5 | -152.4 | 156.6 | 0 | 0 | 110.7 | R793 | R793-M795 PolarHBondContact O-N 3.39Š| ||
| 796 | S | 21.4 | Very low | 24.4 | Very low | 116 Ų | 116 | 154.4 Ų | 154.4 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | trans | -102.5 | 155.3 | -175.2 | 48.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 797 | A | 22.4 | Very low | 24.5 | Very low | 89 Ų | 89 | 155.4 Ų | 155.4 | 74% | 0.736 | 83% | 0.827 | S | S | * | * | trans | 64.8 | 106.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 798 | K | 25.6 | Very low | 24.6 | Very low | 215 Ų | 215 | 149.8 Ų | 149.8 | 94% | 0.935 | 82% | 0.82 | S | S | * | * | trans | -124.6 | 129.8 | 131.4 | -85.1 | -166.8 | 173.6 | -176 | 0 | 109.3 | ||||
| 799 | V | 23.9 | Very low | 24.6 | Very low | 123 Ų | 123 | 153.5 Ų | 153.5 | 75% | 0.745 | 83% | 0.827 | S | S | * | * | trans | -84.5 | 141.1 | -179.5 | 175.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 800 | G | 25.1 | Very low | 24.4 | Very low | 74 Ų | 74 | 153.1 Ų | 153.1 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | trans | -137.8 | 117.2 | 163 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 801 | D | 22 | Very low | 24.4 | Very low | 143 Ų | 143 | 154 Ų | 154 | 77% | 0.765 | 83% | 0.829 | S | S | * | * | trans | -77.5 | 136.5 | -177.2 | -57.1 | -67.1 | 0 | 0 | 0 | 111 | ||||
| 802 | D | 28.1 | Very low | 24.4 | Very low | 167 Ų | 167 | 156 Ų | 156 | 89% | 0.893 | 83% | 0.834 | S | S | * | * | trans | -165.4 | 151.2 | 136.6 | -106.8 | -28.5 | 0 | 0 | 0 | 110.7 | ||||
| 803 | E | 22.1 | Very low | 24.3 | Very low | 188 Ų | 188 | 154.3 Ų | 154.3 | 88% | 0.879 | 83% | 0.833 | S | S | * | * | trans | -88.6 | 164.7 | -159.6 | -63.4 | -175.3 | 115.2 | 0 | 0 | 116.1 | ||||
| 804 | L | 25.3 | Very low | 24.2 | Very low | 156 Ų | 156 | 150.2 Ų | 150.2 | 82% | 0.817 | 83% | 0.829 | S | S | * | * | trans | -68.4 | 158.9 | -175.8 | -65 | 89.2 | 0 | 0 | 0 | 114.2 | ||||
| 805 | P | 25.3 | Very low | 24.4 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | -133.3 | 114.4 | 112.4 | 35 | -25.5 | 0 | 0 | 0 | 115.7 | |||||
| 806 | R | 25.2 | Very low | 24.3 | Very low | 224 Ų | 224 | 147.9 Ų | 147.9 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | 33.8 | 135.3 | 146 | -58.6 | -177.4 | -168.6 | -145.7 | -0.8 | 122 | ||||
| 807 | P | 25.5 | Very low | 24.4 | Very low | 133 Ų | 133 | 151.7 Ų | 151.7 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | -81.6 | 152.7 | 175.9 | 35.7 | -36 | 0 | 0 | 0 | 113.2 | ||||
| 808 | G | 25.9 | Very low | 24.3 | Very low | 70 Ų | 70 | 156.5 Ų | 156.5 | 72% | 0.722 | 83% | 0.825 | S | S | * | * | trans | -171.1 | 55.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 809 | Q | 24.9 | Very low | 24.2 | Very low | 192 Ų | 192 | 152.2 Ų | 152.2 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | trans | -178.6 | 151.4 | 137 | -100.7 | 166.7 | 18.9 | 0 | 0 | 111.8 | ||||
| 810 | P | 25.4 | Very low | 24.1 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 70% | 0.695 | 81% | 0.814 | S | S | * | * | trans | -97.6 | 127.7 | -171.9 | 17.6 | 0.6 | 0 | 0 | 0 | 112.9 | H812 | P810-H812 PolarHBondContact O-N 3.38Š| ||
| 811 | L | 22.3 | Very low | 24 | Very low | 181 Ų | 181 | 155.5 Ų | 155.5 | 95% | 0.948 | 82% | 0.821 | S | S | * | * | trans | -63.1 | 111.6 | 166.8 | -80.2 | 150.9 | 0 | 0 | 0 | 110.1 | ||||
| 812 | H | 25.1 | Very low | 24.1 | Very low | 175 Ų | 175 | 155.8 Ų | 155.8 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | trans | -69.5 | 140 | 172.8 | -101 | 56.9 | 0 | 0 | 0 | 111.2 | P810 | P810-H812 PolarHBondContact O-N 3.38Š| ||
| 813 | G | 23.6 | Very low | 23.9 | Very low | 71 Ų | 71 | 153.3 Ų | 153.3 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | -66 | 132.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I815 | G813-I815 PolarHBondContact O-N 2.71Š| ||
| 814 | I | 23.4 | Very low | 24 | Very low | 164 Ų | 164 | 151.9 Ų | 151.9 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | trans | -80.1 | 106.2 | 173.7 | -64.6 | 168.5 | 0 | 0 | 0 | 108.6 | R816 | I814-R816 PolarHBondContact O-N 3.26Š| ||
| 815 | I | 24 | Very low | 23.9 | Very low | 150 Ų | 150 | 147.2 Ų | 147.2 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -69.8 | 117.8 | 172 | -65.3 | 174.4 | 0 | 0 | 0 | 108.7 | G813 K817 | G813-I815 PolarHBondContact O-N 2.71Å; I815-K817 PolarHBondContact O-N 3.25Å; I815-K817 VanDerWaalsContact O-N 3.12Å | ||
| 816 | R | 24.2 | Very low | 23.8 | Very low | 242 Ų | 242 | 147.2 Ų | 147.2 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | trans | -64.2 | 107.2 | 172.3 | -66.7 | 177.4 | 176.3 | 178.1 | -3.5 | 109.2 | I814 | I814-R816 PolarHBondContact O-N 3.26Š| ||
| 817 | K | 22.4 | Very low | 23.6 | Very low | 195 Ų | 195 | 146.3 Ų | 146.3 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -77.3 | 139.9 | 169.4 | -76.6 | -172.8 | 174.2 | -176.3 | 0 | 109.8 | I815 | I815-K817 PolarHBondContact O-N 3.25Å; I815-K817 VanDerWaalsContact O-N 3.12Å | ||
| 818 | K | 21.5 | Very low | 23.5 | Very low | 190 Ų | 190 | 145 Ų | 145 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | -51.4 | 148.8 | 164.7 | -72.5 | -174.8 | 170.4 | -167.9 | 0 | 109.8 | S820 | K818-S820 PolarHBondContact O-N 3.01Š| ||
| 819 | P | 23.1 | Very low | 23.3 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -67.4 | 96.5 | 170.8 | 29.4 | -32.8 | 0 | 0 | 0 | 108.6 | L821 | P819-L821 PolarHBondContact O-N 2.88Š| ||
| 820 | S | 22.3 | Very low | 23.1 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | -70.7 | 123.7 | 164.3 | 56.4 | 0 | 0 | 0 | 0 | 107.6 | K818 M822 | K818-S820 PolarHBondContact O-N 3.01Å; S820-M822 PolarHBondContact O-N 3.12Å | ||
| 821 | L | 23.2 | Very low | 23.1 | Very low | 176 Ų | 176 | 140.5 Ų | 140.5 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | trans | -63.5 | 75 | 156 | -81.8 | 77 | 0 | 0 | 0 | 108.5 | P819 | P819-L821 PolarHBondContact O-N 2.88Š| ||
| 822 | M | 22.7 | Very low | 23.1 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 73% | 0.729 | 76% | 0.755 | S | S | * | * | trans | -91.1 | 134 | 145 | -79 | -80.7 | 167.5 | 0 | 0 | 104.4 | S820 L824 | S820-M822 PolarHBondContact O-N 3.12Å; M822-L824 PolarHBondContact O-N 3.05Å | ||
| 823 | P | 24.8 | Very low | 23.1 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | trans | -52.4 | 132 | 169.4 | 25.3 | -33.2 | 0 | 0 | 0 | 106.6 | G825 | P823-G825 PolarHBondContact O-N 2.89Š| ||
| 824 | L | 24.4 | Very low | 23.1 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | -75 | 70.5 | 178.3 | -132.4 | 155.1 | 0 | 0 | 0 | 106.8 | M822 V826 | M822-L824 PolarHBondContact O-N 3.05Å; L824-V826 PolarHBondContact O-N 3.21Å; L824-V826 VanDerWaalsContact O-N 3.07Å | ||
| 825 | G | 23.2 | Very low | 23.3 | Very low | 57 Ų | 57 | 134.3 Ų | 134.3 | 59% | 0.588 | 75% | 0.749 | S | S | * | * | trans | -51.8 | 116.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | P823 R827 | P823-G825 PolarHBondContact O-N 2.89Å; G825-R827 VanDerWaalsContact C-N 3.26Å; G825-R827 PolarHBondContact O-N 2.85Å | ||
| 826 | V | 23.7 | Very low | 23.4 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | trans | -32.8 | 88.7 | -159.4 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | L824 S828 | L824-V826 PolarHBondContact O-N 3.21Å; L824-V826 VanDerWaalsContact O-N 3.07Å; V826-S828 VanDerWaalsContact C-N 3.27Å; V826-S828 PolarHBondContact O-N 2.88Å | ||
| 827 | R | 20.3 | Very low | 23.8 | Very low | 206 Ų | 206 | 122.7 Ų | 122.7 | 78% | 0.777 | 72% | 0.717 | S | S | * | * | trans | -70.3 | 104.2 | 165.3 | -88.7 | -168.2 | 174.4 | -168.3 | -1.3 | 103.5 | G825 S829 | G825-R827 VanDerWaalsContact C-N 3.26Å; G825-R827 PolarHBondContact O-N 2.85Å; R827-S829 WeakPolarHBondContact O-CA 3.31Å; R827-S829 WeakPolarHBondContact O-CB 3.16Å; R827-S829 PolarHBondContact O-N 3.3Å | ||
| 828 | S | 22.5 | Very low | 24.4 | Very low | 105 Ų | 105 | 115.3 Ų | 115.3 | 73% | 0.734 | 69% | 0.688 | S | S | * | * | trans | -62.7 | 60.2 | 163.6 | 61.2 | 0 | 0 | 0 | 0 | 110.4 | V826 G830 | V826-S828 VanDerWaalsContact C-N 3.27Å; V826-S828 PolarHBondContact O-N 2.88Å; S828-G830 WeakPolarHBondContact O-CA 3.32Å; S828-G830 PolarHBondContact O-N 3.26Å | ||
| 829 | S | 21.4 | Very low | 25.1 | Very low | 96 Ų | 96 | 111.3 Ų | 111.3 | 67% | 0.671 | 68% | 0.679 | S | S | * | * | -37.7 | 91.1 | 101.5 | -58.2 | 0 | 0 | 0 | 0 | 107.5 | R827 V831 | R827-S829 WeakPolarHBondContact O-CA 3.31Å; R827-S829 WeakPolarHBondContact O-CB 3.16Å; R827-S829 PolarHBondContact O-N 3.3Å; S829-V831 PolarHBondContact O-N 3.37Å | |||
| 830 | G | 22.1 | Very low | 25.7 | Very low | 48 Ų | 48 | 107.7 Ų | 107.7 | 50% | 0.495 | 65% | 0.654 | S | S | . | * | cis | 52.9 | 25.1 | 35.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | S828 N832 | S828-G830 WeakPolarHBondContact O-CA 3.32Å; S828-G830 PolarHBondContact O-N 3.26Å; G830-N832 PolarHBondContact O-N 2.98Å | ||
| 831 | V | 25.7 | Very low | 26.3 | Very low | 131 Ų | 131 | 108.4 Ų | 108.4 | 79% | 0.794 | 65% | 0.648 | S | S | * | * | -45.3 | 89.9 | 128.5 | -179.1 | 0 | 0 | 0 | 0 | 103.3 | S829 A833 | S829-V831 PolarHBondContact O-N 3.37Å; V831-A833 PolarHBondContact O-N 3.36Å | |||
| 832 | N | 22.5 | Very low | 26.5 | Very low | 116 Ų | 116 | 108.8 Ų | 108.8 | 62% | 0.62 | 65% | 0.645 | S | S | * | * | trans | -52.4 | 133 | 175.9 | -72 | -44.9 | 0 | 0 | 0 | 104.3 | G830 T834 | G830-N832 PolarHBondContact O-N 2.98Å; N832-T834 HydrophobicContact CB-CG2 3.78Å; N832-T834 PolarHBondContact O-N 3.42Å; N832-T834 PolarHBondContact O-OG1 2.86Å; N832-T834 VanDerWaalsContact O-OG1 3.08Å | ||
| 833 | A | 23.3 | Very low | 27.1 | Very low | 108 Ų | 108 | 108 Ų | 108 | 89% | 0.893 | 64% | 0.635 | S | S | * | * | trans | -71 | 40.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | V831 N835 | V831-A833 PolarHBondContact O-N 3.36Å; A833-N835 VanDerWaalsContact C-N 3.29Å; A833-N835 PolarHBondContact O-N 2.84Å | ||
| 834 | T | 23.8 | Very low | 27.3 | Very low | 103 Ų | 103 | 107.5 Ų | 107.5 | 63% | 0.632 | 63% | 0.631 | S | S | * | * | trans | -64.7 | 92.2 | 170.6 | 40 | 0 | 0 | 0 | 0 | 107.5 | N832 | N832-T834 HydrophobicContact CB-CG2 3.78Å; N832-T834 PolarHBondContact O-N 3.42Å; N832-T834 PolarHBondContact O-OG1 2.86Å; N832-T834 VanDerWaalsContact O-OG1 3.08Å | ||
| 835 | N | 27.5 | Very low | 27.6 | Very low | 134 Ų | 134 | 106 Ų | 106 | 72% | 0.717 | 62% | 0.624 | S | S | * | * | trans | 61.1 | 65.6 | 154.6 | -48.7 | -11.5 | 0 | 0 | 0 | 112.7 | A833 S837 | A833-N835 VanDerWaalsContact C-N 3.29Å; A833-N835 PolarHBondContact O-N 2.84Å; N835-S837 PolarHBondContact O-N 3.1Å | ||
| 836 | C | 26.3 | Very low | 27.9 | Very low | 69 Ų | 69 | 111.2 Ų | 111.2 | 47% | 0.466 | 63% | 0.633 | S | S | . | * | trans | -71.8 | 54 | 149.9 | -158 | 0 | 0 | 0 | 0 | 109.2 | V838 | C836-V838 PolarHBondContact O-N 3.14Š| ||
| 837 | S | 32.8 | Very low | 28 | Very low | 78 Ų | 78 | 114 Ų | 114 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | trans | -67.9 | 98.6 | 174.2 | 52.2 | 0 | 0 | 0 | 0 | 107.3 | N835 V839 | N835-S837 PolarHBondContact O-N 3.1Å; S837-V839 VanDerWaalsContact C-N 3.32Å; S837-V839 PolarHBondContact O-N 2.92Å | ||
| 838 | V | 35.1 | Very low | 28.4 | Very low | 40 Ų | 40 | 109.4 Ų | 109.4 | 24% | 0.242 | 63% | 0.63 | C | S | . | * | trans | -56.2 | 107 | 156.1 | 179.9 | 0 | 0 | 0 | 0 | 105 | C836 V840 I1044 | C836-V838 PolarHBondContact O-N 3.14Å; V838-V840 HydrophobicContact CG1-CG2 4.06Å; V838-V840 PolarHBondContact O-N 3Å; V838-I1044 HydrophobicContact CG2-CD1 4.08Å; V838-I1044 HydrophobicContact CG2-CG1 4.41Å | ||
| 839 | V | 36.4 | Very low | 28.5 | Very low | 106 Ų | 106 | 107 Ų | 107 | 64% | 0.642 | 62% | 0.622 | S | S | * | * | trans | -71.7 | 90 | 176.6 | -176.7 | 0 | 0 | 0 | 0 | 106.5 | S837 E841 | S837-V839 VanDerWaalsContact C-N 3.32Å; S837-V839 PolarHBondContact O-N 2.92Å; V839-E841 VanDerWaalsContact C-N 3.31Å; V839-E841 HydrophobicContact CG1-CG 4.2Å; V839-E841 PolarHBondContact O-N 3.21Å | ||
| 840 | V | 35.4 | Very low | 28.8 | Very low | 49 Ų | 49 | 109.6 Ų | 109.6 | 30% | 0.297 | 63% | 0.633 | S | S | . | * | trans | -73.3 | 91.3 | 171.8 | -178.9 | 0 | 0 | 0 | 0 | 106.7 | V838 E842 | V838-V840 HydrophobicContact CG1-CG2 4.06Å; V838-V840 PolarHBondContact O-N 3Å; V840-E842 PolarHBondContact O-N 3.26Å | ||
| 841 | E | 34.3 | Very low | 28.8 | Very low | 106 Ų | 106 | 113.2 Ų | 113.2 | 50% | 0.495 | 64% | 0.64 | S | S | . | * | trans | -71 | 120 | 165.7 | -76.4 | 179.9 | 136.5 | 0 | 0 | 108.8 | V839 Y843 K956 | V839-E841 VanDerWaalsContact C-N 3.31Å; V839-E841 HydrophobicContact CG1-CG 4.2Å; V839-E841 PolarHBondContact O-N 3.21Å; E841-Y843 PolarHBondContact O-N 3.27Å; E841-Y843 VanDerWaalsContact O-N 3.17Å; E841-K956 IonicContact OE2-NZ 2.69Å; E841-K956 PolarHBondContact OE2-NZ 3.47Å | ||
| 842 | E | 29.3 | Very low | 28.8 | Very low | 185 Ų | 185 | 111.4 Ų | 111.4 | 86% | 0.864 | 63% | 0.631 | S | S | * | * | trans | -67.1 | 108.4 | 170.7 | -66.1 | -177.4 | 151.8 | 0 | 0 | 109 | V840 | V840-E842 PolarHBondContact O-N 3.26Š| ||
| 843 | Y | 33.8 | Very low | 28.9 | Very low | 132 Ų | 132 | 112.1 Ų | 112.1 | 52% | 0.518 | 64% | 0.643 | S | S | . | * | trans | -76.9 | 139.7 | 169.7 | -81.2 | -90.7 | 0 | 0 | 0 | 110 | E841 D845 Q959 | E841-Y843 PolarHBondContact O-N 3.27Å; E841-Y843 VanDerWaalsContact O-N 3.17Å; Y843-D845 PolarHBondContact O-N 2.92Å; Y843-Q959 PolarHBondContact OH-NE2 2.98Å | ||
| 844 | P | 29.5 | Very low | 28.9 | Very low | 103 Ų | 103 | 115.4 Ų | 115.4 | 67% | 0.669 | 64% | 0.64 | S | S | * | * | trans | -57.4 | 136.8 | 177.6 | -25.4 | 34.4 | 0 | 0 | 0 | 112.9 | E846 | P844-E846 PolarHBondContact O-N 3.43Š| ||
| 845 | D | 30.7 | Very low | 28.9 | Very low | 128 Ų | 128 | 116.4 Ų | 116.4 | 68% | 0.684 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -59.3 | -0.3 | -173.2 | -81.7 | -40.7 | 0 | 0 | 0 | 116 | Y843 F847 | Y843-D845 PolarHBondContact O-N 2.92Å; D845-F847 VanDerWaalsContact C-N 3.35Å; D845-F847 PolarHBondContact O-N 2.91Å |
| 846 | E | 28.7 | Very low | 28.7 | Very low | 166 Ų | 166 | 116.8 Ų | 116.8 | 78% | 0.776 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -80.9 | -5.1 | -174.3 | -65.1 | -168.5 | 150.4 | 0 | 0 | 114.8 | P844 | P844-E846 PolarHBondContact O-N 3.43Š|
| 847 | F | 26.1 | Very low | 28.5 | Very low | 184 Ų | 184 | 119.3 Ų | 119.3 | 81% | 0.807 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -107.4 | 29.4 | -176.2 | -100.9 | -82.9 | 0 | 0 | 0 | 116.1 | D845 | D845-F847 VanDerWaalsContact C-N 3.35Å; D845-F847 PolarHBondContact O-N 2.91Å |
| 848 | V | 28.6 | Very low | 28.1 | Very low | 111 Ų | 111 | 119.9 Ų | 119.9 | 67% | 0.673 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -120.8 | -5.5 | 166.1 | -170 | 0 | 0 | 0 | 0 | 112.2 | ||
| 849 | G | 25.6 | Very low | 27.6 | Very low | 54 Ų | 54 | 126.7 Ų | 126.7 | 56% | 0.557 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -77.9 | 138.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L851 | G849-L851 PolarHBondContact O-N 3.17Š|
| 850 | V | 26.6 | Very low | 27.2 | Very low | 150 Ų | 150 | 125.2 Ų | 125.2 | 91% | 0.909 | 70% | 0.703 | S | S | * | * | trans | -51.7 | 99.4 | 173 | 179 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 851 | L | 22.4 | Very low | 26.8 | Very low | 124 Ų | 124 | 127 Ų | 127 | 65% | 0.649 | 71% | 0.714 | S | S | * | * | trans | -91.6 | 128 | 172.6 | -111.3 | 147.6 | 0 | 0 | 0 | 109.2 | G849 | G849-L851 PolarHBondContact O-N 3.17Š| ||
| 852 | P | 25.3 | Very low | 26.5 | Very low | 93 Ų | 93 | 127.6 Ų | 127.6 | 60% | 0.604 | 73% | 0.725 | S | S | * | * | trans | -58.4 | 156.3 | 178.3 | -24.4 | 34.6 | 0 | 0 | 0 | 112.4 | E854 | P852-E854 VanDerWaalsContact C-N 3.27Å; P852-E854 PolarHBondContact O-N 3.22Å | ||
| 853 | P | 26.3 | Very low | 26.4 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 86% | 0.857 | 72% | 0.717 | S | S | * | * | trans | -75.4 | 72.4 | -174.3 | 32.2 | -36.9 | 0 | 0 | 0 | 112.6 | V855 | P853-V855 PolarHBondContact O-N 2.88Š| ||
| 854 | E | 23 | Very low | 26.3 | Very low | 177 Ų | 177 | 124.3 Ų | 124.3 | 83% | 0.827 | 73% | 0.727 | S | S | * | * | trans | -86.6 | 87 | 167.8 | -73.9 | -160 | 144.4 | 0 | 0 | 111.5 | P852 V856 | P852-E854 VanDerWaalsContact C-N 3.27Å; P852-E854 PolarHBondContact O-N 3.22Å; E854-V856 PolarHBondContact O-N 3.05Å | ||
| 855 | V | 23.8 | Very low | 26.3 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 75% | 0.745 | 74% | 0.736 | S | S | * | * | trans | 36.3 | 71.8 | 139.1 | -160.6 | 0 | 0 | 0 | 0 | 116.6 | P853 T857 | P853-V855 PolarHBondContact O-N 2.88Å; V855-T857 HydrophobicContact CG1-CG2 4.03Å | ||
| 856 | V | 22.7 | Very low | 26.4 | Very low | 142 Ų | 142 | 126.8 Ų | 126.8 | 86% | 0.861 | 74% | 0.744 | S | S | * | * | trans | -114.7 | 107.6 | 143.3 | -178.7 | 0 | 0 | 0 | 0 | 107.4 | E854 A858 | E854-V856 PolarHBondContact O-N 3.05Å; V856-A858 PolarHBondContact O-N 2.98Å; V856-A858 VanDerWaalsContact O-N 3.09Å | ||
| 857 | T | 22.1 | Very low | 26.5 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | -76.9 | 93.5 | -168.4 | 50.1 | 0 | 0 | 0 | 0 | 112.1 | V855 | V855-T857 HydrophobicContact CG1-CG2 4.03Š| ||
| 858 | A | 25.5 | Very low | 26.6 | Very low | 90 Ų | 90 | 124 Ų | 124 | 74% | 0.744 | 75% | 0.75 | S | S | * | * | trans | -98.7 | 112.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | V856 A860 | V856-A858 PolarHBondContact O-N 2.98Å; V856-A858 VanDerWaalsContact O-N 3.09Å; A858-A860 PolarHBondContact O-N 3.21Å | ||
| 859 | E | 23.3 | Very low | 26.6 | Very low | 182 Ų | 182 | 123.2 Ų | 123.2 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | trans | -69.9 | 88.5 | -174 | -67.1 | -179.4 | 128.5 | 0 | 0 | 112.4 | V861 | E859-V861 HydrophobicContact CB-CG2 4.29Å; E859-V861 PolarHBondContact O-N 3.05Å; E859-V861 VanDerWaalsContact O-N 3.11Å | ||
| 860 | A | 27.4 | Very low | 26.5 | Very low | 75 Ų | 75 | 128.5 Ų | 128.5 | 62% | 0.62 | 77% | 0.771 | S | S | * | * | trans | -79.2 | 83.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | A858 T862 | A858-A860 PolarHBondContact O-N 3.21Å; A860-T862 PolarHBondContact O-N 3.4Å; A860-T862 VanDerWaalsContact O-N 3.11Å | ||
| 861 | V | 26.8 | Very low | 26.3 | Very low | 88 Ų | 88 | 128 Ų | 128 | 53% | 0.533 | 77% | 0.773 | S | S | . | * | trans | -76.4 | 96.2 | -179.2 | -173.8 | 0 | 0 | 0 | 0 | 110.6 | E859 I863 | E859-V861 HydrophobicContact CB-CG2 4.29Å; E859-V861 PolarHBondContact O-N 3.05Å; E859-V861 VanDerWaalsContact O-N 3.11Å; V861-I863 HydrophobicContact CG1-CD1 4.39Å; V861-I863 HydrophobicContact CG1-CG1 3.85Å | ||
| 862 | T | 28.9 | Very low | 26.3 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | trans | -86.5 | 102.8 | 168.8 | 50.3 | 0 | 0 | 0 | 0 | 110.3 | A860 | A860-T862 PolarHBondContact O-N 3.4Å; A860-T862 VanDerWaalsContact O-N 3.11Å | ||
| 863 | I | 27 | Very low | 26.2 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 70% | 0.697 | 79% | 0.794 | S | S | * | * | trans | -87 | 126.2 | 173.7 | -52.1 | -179 | 0 | 0 | 0 | 108.6 | V861 | V861-I863 HydrophobicContact CG1-CD1 4.39Å; V861-I863 HydrophobicContact CG1-CG1 3.85Å | ||
| 864 | P | 31.5 | Very low | 26 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | trans | -84.1 | 137.3 | 167 | 16.9 | -3.3 | 0 | 0 | 0 | 110.8 | S866 | P864-S866 PolarHBondContact O-N 2.92Š| ||
| 865 | D | 29.2 | Very low | 26 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -68.2 | 95.9 | -175.8 | -59.5 | -59.7 | 0 | 0 | 0 | 112.6 | ||
| 866 | S | 33.9 | Very low | 25.9 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -159.7 | 151 | 162.9 | -79.2 | 0 | 0 | 0 | 0 | 111.1 | P864 | P864-S866 PolarHBondContact O-N 2.92Š| ||
| 867 | E | 29.9 | Very low | 25.9 | Very low | 194 Ų | 194 | 128.6 Ų | 128.6 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | trans | -67.2 | 142.1 | -162.8 | -58.3 | 173.4 | 144.9 | 0 | 0 | 114.9 | ||||
| 868 | A | 28.1 | Very low | 25.9 | Very low | 98 Ų | 98 | 130.7 Ų | 130.7 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 46.6 | 125.7 | 150.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||
| 869 | A | 28.3 | Very low | 25.8 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 84.2 | 114 | 162.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 870 | D | 25.5 | Very low | 25.8 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | 34.1 | 96.9 | 151.8 | -64.2 | -14.4 | 0 | 0 | 0 | 118.8 | ||||
| 871 | C | 22 | Very low | 25.6 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 95% | 0.946 | 80% | 0.803 | S | S | * | * | trans | -146.1 | 153.7 | 153.2 | -130.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 872 | K | 22.2 | Very low | 25.4 | Very low | 192 Ų | 192 | 137.6 Ų | 137.6 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | -81 | 150.6 | -166.7 | -75.6 | 169.8 | 173.4 | 170.7 | 0 | 113.4 | V874 | K872-V874 PolarHBondContact O-N 2.71Š| ||
| 873 | V | 22.8 | Very low | 25.2 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 87% | 0.873 | 83% | 0.826 | S | S | * | * | trans | -51.8 | 119.8 | 168.5 | -178.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 874 | V | 22.3 | Very low | 25 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 78% | 0.782 | 83% | 0.829 | S | S | * | * | trans | -129.7 | 128.8 | 164.4 | 178.1 | 0 | 0 | 0 | 0 | 108.2 | K872 A876 | K872-V874 PolarHBondContact O-N 2.71Å; V874-A876 PolarHBondContact O-N 2.72Å | ||
| 875 | T | 22.5 | Very low | 24.7 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 82% | 0.816 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -69 | 117.4 | 180 | 44.9 | 0 | 0 | 0 | 0 | 111.3 | ||
| 876 | A | 22.4 | Very low | 24.4 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 122.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V874 | V874-A876 PolarHBondContact O-N 2.72Š|
| 877 | S | 22.1 | Very low | 24 | Very low | 105 Ų | 105 | 132.5 Ų | 132.5 | 73% | 0.734 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 158.2 | 163.1 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | M879 | S877-M879 PolarHBondContact O-N 3.44Š|
| 878 | L | 21.5 | Very low | 23.6 | Very low | 167 Ų | 167 | 128 Ų | 128 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | trans | -45.2 | 138.7 | 159.3 | -103.8 | 70.4 | 0 | 0 | 0 | 110.3 | ||||
| 879 | M | 24.6 | Very low | 23.4 | Very low | 173 Ų | 173 | 130.6 Ų | 130.6 | 85% | 0.852 | 83% | 0.826 | S | S | * | * | trans | -137.5 | 103.4 | 174.6 | -151 | 171.4 | 174.2 | 0 | 0 | 109.9 | S877 | S877-M879 PolarHBondContact O-N 3.44Š| ||
| 880 | D | 21.8 | Very low | 23.2 | Very low | 161 Ų | 161 | 131.3 Ų | 131.3 | 86% | 0.861 | 82% | 0.824 | S | S | * | * | trans | -63.1 | 131.8 | 163.8 | -75.9 | -51.9 | 0 | 0 | 0 | 109.4 | ||||
| 881 | S | 24.4 | Very low | 23.2 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 69% | 0.685 | 83% | 0.831 | S | S | * | * | trans | -163.3 | 108.6 | 148.6 | 33.6 | 0 | 0 | 0 | 0 | 112.7 | S883 | S881-S883 PolarHBondContact O-N 2.86Š| ||
| 882 | T | 22 | Very low | 23.3 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 91% | 0.908 | 81% | 0.814 | S | S | * | * | trans | -53.9 | 117.5 | 161.8 | 48.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 883 | S | 25.2 | Very low | 23.4 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | -156.5 | 134.9 | 147.8 | 58.3 | 0 | 0 | 0 | 0 | 108.9 | S881 | S881-S883 PolarHBondContact O-N 2.86Š| ||
| 884 | G | 23.2 | Very low | 23.7 | Very low | 74 Ų | 74 | 122.8 Ų | 122.8 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | trans | -102.4 | 144.5 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 885 | T | 25.3 | Very low | 24.1 | Very low | 145 Ų | 145 | 125.9 Ų | 125.9 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | -154.2 | 125.4 | 142.9 | 12.8 | 0 | 0 | 0 | 0 | 108.2 | A887 | T885-A887 PolarHBondContact O-N 3.03Š| ||
| 886 | A | 21.8 | Very low | 24.7 | Very low | 103 Ų | 103 | 125.2 Ų | 125.2 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -76.5 | 93.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 887 | A | 25.3 | Very low | 25.8 | Very low | 99 Ų | 99 | 124.5 Ų | 124.5 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -96 | 78.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109 | T885 D889 | T885-A887 PolarHBondContact O-N 3.03Å; A887-D889 PolarHBondContact O-N 3.31Å | ||
| 888 | S | 22.5 | Very low | 26.9 | Very low | 100 Ų | 100 | 124.3 Ų | 124.3 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | -72.3 | 105.7 | 158.2 | 51.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 889 | D | 23.2 | Very low | 28.4 | Very low | 152 Ų | 152 | 118 Ų | 118 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | -176.5 | 140 | 145.9 | -92.1 | -26.3 | 0 | 0 | 0 | 111.4 | A887 | A887-D889 PolarHBondContact O-N 3.31Š| ||
| 890 | S | 25 | Very low | 30.3 | Very low | 109 Ų | 109 | 112.2 Ų | 112.2 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | 53 | 79.6 | 165.4 | 60.6 | 0 | 0 | 0 | 0 | 118.4 | G892 | S890-G892 PolarHBondContact O-N 2.82Š| ||
| 891 | F | 24.6 | Very low | 32 | Very low | 229 Ų | 229 | 105 Ų | 105 | 100% | 1.004 | 70% | 0.699 | S | S | * | * | trans | -73.2 | 68.2 | 142.8 | -79.3 | -74.5 | 0 | 0 | 0 | 109.3 | ||||
| 892 | G | 24.5 | Very low | 34.1 | Very low | 58 Ų | 58 | 105.8 Ų | 105.8 | 60% | 0.598 | 69% | 0.688 | S | S | * | * | trans | -66.4 | 135.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | S890 A894 | S890-G892 PolarHBondContact O-N 2.82Å; G892-A894 PolarHBondContact O-N 3.15Å | ||
| 893 | A | 24.4 | Very low | 36.5 | Very low | 103 Ų | 103 | 99.7 Ų | 99.7 | 85% | 0.851 | 65% | 0.65 | S | S | * | * | trans | -70.2 | 83.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | E895 | A893-E895 PolarHBondContact O-N 3.24Š| ||
| 894 | A | 28.8 | Very low | 38.5 | Very low | 72 Ų | 72 | 102.2 Ų | 102.2 | 60% | 0.595 | 64% | 0.641 | S | S | * | * | trans | -62.9 | 132.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | G892 N896 | G892-A894 PolarHBondContact O-N 3.15Å; A894-N896 PolarHBondContact O-N 3.37Å | ||
| 895 | E | 31 | Very low | 40.5 | Very low | 194 Ų | 194 | 104 Ų | 104 | 91% | 0.907 | 63% | 0.63 | S | S | * | * | trans | -74.8 | 42.6 | -170.2 | -57.4 | 179.4 | 124.1 | 0 | 0 | 113.3 | A893 G897 | A893-E895 PolarHBondContact O-N 3.24Å; E895-G897 PolarHBondContact O-N 3.24Å | ||
| 896 | N | 35.6 | Very low | 42.5 | Very low | 118 Ų | 118 | 98.7 Ų | 98.7 | 63% | 0.631 | 61% | 0.605 | S | S | * | * | trans | -72.5 | 93.6 | -166.7 | -67.7 | 1.3 | 0 | 0 | 0 | 111.2 | A894 D898 | A894-N896 PolarHBondContact O-N 3.37Å; N896-D898 PolarHBondContact O-N 2.85Å | ||
| 897 | G | 44.4 | Very low | 44.5 | Very low | 87 Ų | 87 | 98.5 Ų | 98.5 | 90% | 0.897 | 59% | 0.585 | S | S | * | * | trans | -66.7 | 38.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | E895 | E895-G897 PolarHBondContact O-N 3.24Š| ||
| 898 | D | 46.2 | Very low | 46.6 | Very low | 101 Ų | 101 | 96.8 Ų | 96.8 | 54% | 0.54 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -91.2 | -0.7 | -167.9 | -139.1 | 13 | 0 | 0 | 0 | 112.9 | N896 F900 | N896-D898 PolarHBondContact O-N 2.85Å; D898-F900 VanDerWaalsContact C-N 3.27Å; D898-F900 HydrophobicContact CB-CD2 4.15Å; D898-F900 WeakPolarHBondContact O-CD2 3.34Å; D898-F900 PolarHBondContact O-N 3.04Å |
| 899 | G | 53.6 | Low | 48.5 | Very low | 34 Ų | 34 | 100.9 Ų | 100.9 | 35% | 0.351 | 56% | 0.559 | S | S | . | * | trans | 69.9 | 17.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | I910 | G899-I910 PolarHBondContact O-N 3.11Š| ||
| 900 | F | 63.7 | Low | 50.5 | Low | 52 Ų | 52 | 94.9 Ų | 94.9 | 23% | 0.228 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 128.3 | 177.2 | -72.6 | -82.1 | 0 | 0 | 0 | 112 | D898 Y902 K907 F908 R909 | D898-F900 VanDerWaalsContact C-N 3.27Å; D898-F900 HydrophobicContact CB-CD2 4.15Å; D898-F900 WeakPolarHBondContact O-CD2 3.34Å; D898-F900 PolarHBondContact O-N 3.04Å; F900-Y902 HydrophobicContact CB-CD2 4.38Å; F900-Y902 HydrophobicContact CB-CE2 3.9Å; F900-Y902 WeakPolarHBondContact O-CD2 3.42Å; F900-K907 HydrophobicContact CD1-CB 4.13Å; F900-F908 CarbonylContact C-O 3.42Å; F900-F908 WeakPolarHBondContact CA-O 2.91Å; F900-R909 HydrophobicContact CD1-CB 4.01Å; F900-R909 HydrophobicContact CD1-CG 4.41Å; F900-R909 HydrophobicContact CE1-CB 3.81Å; F900-R909 HydrophobicContact CE1-CG 4.13Å; F900-R909 HydrophobicContact CZ-CB 4.48Å; F900-R909 HydrophobicContact CZ-CG 4.34Å |
| 901 | L | 56.6 | Low | 52.3 | Low | 10 Ų | 10 | 96.9 Ų | 96.9 | 5% | 0.052 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 118.9 | 170.7 | -57.4 | -176.8 | 0 | 0 | 0 | 109.3 | K907 F908 I910 F912 F965 W968 | L901-K907 CarbonylContact O-C 3.5Å; L901-K907 WeakPolarHBondContact O-CA 3.27Å; L901-F908 HydrophobicContact CB-CB 4.49Å; L901-F908 PolarHBondContact N-O 2.92Å; L901-F908 PolarHBondContact O-N 3.01Å; L901-I910 HydrophobicContact CD1-CB 4.14Å; L901-I910 HydrophobicContact CD1-CD1 4.1Å; L901-I910 HydrophobicContact CD1-CG1 4.46Å; L901-F912 HydrophobicContact CD2-CE2 4.34Å; L901-F912 HydrophobicContact CD2-CZ 4.08Å; L901-F965 HydrophobicContact CD1-CB 4.47Å; L901-F965 HydrophobicContact CD1-CD2 4.18Å; L901-W968 HydrophobicContact CB-CB 4.07Å; L901-W968 HydrophobicContact CB-CD2 4.25Å; L901-W968 HydrophobicContact CB-CG 3.74Å; L901-W968 HydrophobicContact CD1-CB 4.2Å; L901-W968 HydrophobicContact CD1-CD2 4.05Å; L901-W968 HydrophobicContact CD1-CE3 4.08Å; L901-W968 HydrophobicContact CD1-CG 4.1Å; L901-W968 HydrophobicContact CD2-CD2 3.91Å; L901-W968 HydrophobicContact CD2-CE3 4.25Å; L901-W968 HydrophobicContact CD2-CG 4.32Å; L901-W968 HydrophobicContact CD2-CH2 4.35Å; L901-W968 HydrophobicContact CD2-CZ2 4.06Å; L901-W968 HydrophobicContact CD2-CZ3 4.46Å; L901-W968 HydrophobicContact CG-CD2 4.29Å; L901-W968 HydrophobicContact CG-CG 4.27Å |
| 902 | Y | 68.8 | Low | 54.4 | Low | 114 Ų | 114 | 89.5 Ų | 89.5 | 45% | 0.447 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 126.9 | -176.4 | -72.3 | -116.6 | 0 | 0 | 0 | 110.7 | F900 K907 N972 | F900-Y902 HydrophobicContact CB-CD2 4.38Å; F900-Y902 HydrophobicContact CB-CE2 3.9Å; F900-Y902 WeakPolarHBondContact O-CD2 3.42Å; Y902-K907 HydrophobicContact CD1-CD 4.09Å; Y902-K907 HydrophobicContact CD1-CG 4Å; Y902-K907 HydrophobicContact CE1-CD 3.59Å; Y902-K907 HydrophobicContact CE1-CG 4.05Å; Y902-K907 HydrophobicContact CE2-CD 4.31Å; Y902-K907 HydrophobicContact CG-CG 4.36Å; Y902-K907 PolarHBondContact OH-NZ 3.21Å; Y902-N972 PolarHBondContact O-ND2 3.26Å |
| 903 | T | 73.7 | Confident | 56.4 | Low | 20 Ų | 20 | 93.8 Ų | 93.8 | 12% | 0.123 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 165.7 | -179.5 | 71.4 | 0 | 0 | 0 | 0 | 110.9 | Q905 G906 F908 I967 W968 E971 | T903-Q905 PolarHBondContact O-N 3.08Å; T903-Q905 VanDerWaalsContact O-N 3.14Å; T903-Q905 PolarHBondContact OG1-N 3.38Å; T903-G906 PolarHBondContact N-O 3.15Å; T903-G906 PolarHBondContact O-N 3.05Å; T903-G906 VanDerWaalsContact O-N 3.09Å; T903-G906 PolarHBondContact OG1-N 3.2Å; T903-G906 PolarHBondContact OG1-O 3.21Å; T903-F908 HydrophobicContact CG2-CD2 3.86Å; T903-F908 HydrophobicContact CG2-CE2 3.93Å; T903-F908 WeakPolarHBondContact OG1-CE2 3.45Å; T903-I967 HydrophobicContact CG2-CB 4.5Å; T903-I967 HydrophobicContact CG2-CG2 3.99Å; T903-W968 HydrophobicContact CG2-CB 3.69Å; T903-W968 HydrophobicContact CG2-CG 4.44Å; T903-E971 WeakPolarHBondContact CA-OE2 3.22Å; T903-E971 VanDerWaalsContact CB-OE2 3.25Å; T903-E971 WeakPolarHBondContact CB-OE2 3.17Å |
| 904 | R | 65.4 | Low | 58.7 | Low | 172 Ų | 172 | 94.4 Ų | 94.4 | 65% | 0.649 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -16.9 | 171.4 | -61.7 | 178.3 | 176 | 166.3 | 1.5 | 113 | E971 S1012 | R904-E971 WeakPolarHBondContact CB-OE1 3.34Å; R904-E971 PolarHBondContact N-OE1 3.28Å; R904-E971 PolarHBondContact N-OE2 3.33Å; R904-S1012 PolarHBondContact NH1-OG 2.86Å; R904-S1012 PolarHBondContact NH2-OG 2.93Å; R904-S1012 VanDerWaalsContact NH2-OG 3.15Å |
| 905 | Q | 66.9 | Low | 61 | Low | 111 Ų | 111 | 91 Ų | 91 | 52% | 0.519 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -1.9 | 177.9 | -60.7 | 178.5 | 38.4 | 0 | 0 | 113.3 | T903 | T903-Q905 PolarHBondContact O-N 3.08Å; T903-Q905 VanDerWaalsContact O-N 3.14Å; T903-Q905 PolarHBondContact OG1-N 3.38Å |
| 906 | G | 67 | Low | 63.5 | Low | 35 Ų | 35 | 83.9 Ų | 83.9 | 36% | 0.361 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 127.5 | -167.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | T903 | T903-G906 PolarHBondContact N-O 3.15Å; T903-G906 PolarHBondContact O-N 3.05Å; T903-G906 VanDerWaalsContact O-N 3.09Å; T903-G906 PolarHBondContact OG1-N 3.2Å; T903-G906 PolarHBondContact OG1-O 3.21Å |
| 907 | K | 63.8 | Low | 65.7 | Low | 99 Ų | 99 | 78.2 Ų | 78.2 | 43% | 0.43 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 130.7 | 179.8 | -52.2 | -173.7 | -168.1 | -168.3 | 0 | 110.7 | F900 L901 Y902 | F900-K907 HydrophobicContact CD1-CB 4.13Å; L901-K907 CarbonylContact O-C 3.5Å; L901-K907 WeakPolarHBondContact O-CA 3.27Å; Y902-K907 HydrophobicContact CD1-CD 4.09Å; Y902-K907 HydrophobicContact CD1-CG 4Å; Y902-K907 HydrophobicContact CE1-CD 3.59Å; Y902-K907 HydrophobicContact CE1-CG 4.05Å; Y902-K907 HydrophobicContact CE2-CD 4.31Å; Y902-K907 HydrophobicContact CG-CG 4.36Å; Y902-K907 PolarHBondContact OH-NZ 3.21Å |
| 908 | F | 68.5 | Low | 67.7 | Low | 62 Ų | 62 | 75 Ų | 75 | 27% | 0.272 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 138.3 | 175.6 | -64.3 | -83.7 | 0 | 0 | 0 | 111 | F900 L901 T903 G964 I967 | F900-F908 CarbonylContact C-O 3.42Å; F900-F908 WeakPolarHBondContact CA-O 2.91Å; L901-F908 HydrophobicContact CB-CB 4.49Å; L901-F908 PolarHBondContact N-O 2.92Å; L901-F908 PolarHBondContact O-N 3.01Å; T903-F908 HydrophobicContact CG2-CD2 3.86Å; T903-F908 HydrophobicContact CG2-CE2 3.93Å; T903-F908 WeakPolarHBondContact OG1-CE2 3.45Å; F908-G964 VanDerWaalsContact CG-CA 3.47Å; F908-I967 HydrophobicContact CE2-CD1 4.29Å; F908-I967 HydrophobicContact CZ-CD1 4Å |
| 909 | R | 62.5 | Low | 69.6 | Low | 186 Ų | 186 | 70.5 Ų | 70.5 | 70% | 0.702 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 110.4 | 178.2 | -164.9 | -178.6 | -165.5 | 176.8 | 6.8 | 110.6 | F900 | F900-R909 HydrophobicContact CD1-CB 4.01Å; F900-R909 HydrophobicContact CD1-CG 4.41Å; F900-R909 HydrophobicContact CE1-CB 3.81Å; F900-R909 HydrophobicContact CE1-CG 4.13Å; F900-R909 HydrophobicContact CZ-CB 4.48Å; F900-R909 HydrophobicContact CZ-CG 4.34Å |
| 910 | I | 65.6 | Low | 71.1 | Confident | 26 Ų | 26 | 71.1 Ų | 71.1 | 13% | 0.133 | 32% | 0.316 | C | S | . | . | trans | -143.7 | 131.9 | -178.3 | -59.9 | 179.1 | 0 | 0 | 0 | 108.8 | G899 L901 L915 F965 | G899-I910 PolarHBondContact O-N 3.11Å; L901-I910 HydrophobicContact CD1-CB 4.14Å; L901-I910 HydrophobicContact CD1-CD1 4.1Å; L901-I910 HydrophobicContact CD1-CG1 4.46Å; I910-L915 HydrophobicContact CG2-CD2 4.22Å; I910-F965 HydrophobicContact CD1-CB 3.78Å; I910-F965 VanDerWaalsContact CD1-N 3.31Å | ||
| 911 | R | 63.1 | Low | 72.3 | Confident | 151 Ų | 151 | 68.7 Ų | 68.7 | 57% | 0.57 | 31% | 0.305 | S | S | * | . | trans | -92.7 | 137.6 | 174.1 | -71.3 | 179.7 | 168.3 | 178.5 | -4.9 | 111.1 | E913 E914 | R911-E913 VanDerWaalsContact C-N 3.31Å; R911-E913 PolarHBondContact O-N 3.3Å; R911-E914 HydrophobicContact CB-CB 4.42Å; R911-E914 HydrophobicContact CB-CG 4.04Å; R911-E914 WeakPolarHBondContact CD-OE1 3.39Å; R911-E914 PolarHBondContact O-N 3.01Å | ||
| 912 | F | 67.8 | Low | 73.7 | Confident | 75 Ų | 75 | 68.5 Ų | 68.5 | 33% | 0.329 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -70.2 | -25.2 | -177.6 | -76.2 | -80.4 | 0 | 0 | 0 | 113.2 | L901 E914 L915 R920 H923 F965 W968 | L901-F912 HydrophobicContact CD2-CE2 4.34Å; L901-F912 HydrophobicContact CD2-CZ 4.08Å; F912-E914 VanDerWaalsContact C-N 3.33Å; F912-L915 HydrophobicContact CD1-CD1 3.84Å; F912-L915 HydrophobicContact CE1-CD1 4.48Å; F912-R920 VanDerWaalsContact O-CD 3.27Å; F912-R920 WeakPolarHBondContact O-CD 3.39Å; F912-R920 WeakPolarHBondContact O-CG 3.37Å; F912-H923 AromaticContact CD1-ND1 3.91Å; F912-H923 AromaticContact CE1-CD2 3.78Å; F912-H923 AromaticContact CE1-CE1 3.44Å; F912-H923 VanDerWaalsContact CE1-CE1 3.44Å; F912-H923 WeakPolarHBondContact CE1-CE1 3.18Å; F912-H923 AromaticContact CE1-CG 3.85Å; F912-H923 AromaticContact CE1-ND1 3.66Å; F912-H923 AromaticContact CE1-NE2 3.52Å; F912-H923 AromaticContact CZ-CE1 3.84Å; F912-H923 AromaticContact CZ-NE2 3.79Å; F912-F965 HydrophobicContact CE1-CE2 4.35Å; F912-W968 HydrophobicContact CE1-CH2 4.43Å; F912-W968 HydrophobicContact CE1-CZ3 4.42Å; F912-W968 HydrophobicContact CZ-CH2 4.02Å; F912-W968 HydrophobicContact CZ-CZ3 4.34Å |
| 913 | E | 67.7 | Low | 74.6 | Confident | 147 Ų | 147 | 64.9 Ų | 64.9 | 69% | 0.687 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -70.3 | -29.4 | 175.4 | -55.8 | 82.4 | -173.2 | 0 | 0 | 112.7 | R911 L915 | R911-E913 VanDerWaalsContact C-N 3.31Å; R911-E913 PolarHBondContact O-N 3.3Å; E913-L915 PolarHBondContact O-N 3.14Å |
| 914 | E | 71.1 | Confident | 75 | Confident | 116 Ų | 116 | 64 Ų | 64 | 54% | 0.542 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -77.7 | -8.5 | -178 | -66.6 | 171 | -176.8 | 0 | 0 | 113 | R911 F912 Y962 | R911-E914 HydrophobicContact CB-CB 4.42Å; R911-E914 HydrophobicContact CB-CG 4.04Å; R911-E914 WeakPolarHBondContact CD-OE1 3.39Å; R911-E914 PolarHBondContact O-N 3.01Å; F912-E914 VanDerWaalsContact C-N 3.33Å; E914-Y962 PolarHBondContact O-OH 2.69Å |
| 915 | L | 78.1 | Confident | 76.1 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -78.7 | 141.4 | 175.4 | -65.1 | 171.1 | 0 | 0 | 0 | 111.1 | I910 F912 E913 L919 R920 Y962 F965 | I910-L915 HydrophobicContact CG2-CD2 4.22Å; F912-L915 HydrophobicContact CD1-CD1 3.84Å; F912-L915 HydrophobicContact CE1-CD1 4.48Å; E913-L915 PolarHBondContact O-N 3.14Å; L915-L919 HydrophobicContact CB-CB 4.24Å; L915-L919 HydrophobicContact CD2-CD1 4.05Å; L915-R920 HydrophobicContact CB-CG 4.24Å; L915-R920 VanDerWaalsContact O-CZ 3.26Å; L915-R920 PolarHBondContact O-NE 2.76Å; L915-R920 PolarHBondContact O-NH2 2.78Å; L915-Y962 HydrophobicContact CD2-CD1 3.95Å; L915-Y962 HydrophobicContact CD2-CE1 4.18Å; L915-Y962 HydrophobicContact CD2-CG 4.35Å; L915-F965 HydrophobicContact CD1-CD2 4.14Å; L915-F965 HydrophobicContact CD1-CE2 3.95Å; L915-F965 HydrophobicContact CD1-CZ 4.4Å; L915-F965 HydrophobicContact CD2-CG 4.47Å |
| 916 | P | 82.9 | Confident | 77.1 | Confident | 43 Ų | 43 | 50.5 Ų | 50.5 | 28% | 0.279 | 23% | 0.23 | S | C | . | . | trans | -50.3 | 149.7 | 167 | -29.3 | 34.5 | 0 | 0 | 0 | 113.6 | E918 L919 R920 | P916-E918 HydrophobicContact CB-CG 4.01Å; P916-E918 VanDerWaalsContact CB-OE2 3.25Å; P916-E918 WeakPolarHBondContact CB-OE2 3.32Å; P916-E918 PolarHBondContact O-N 2.71Å; P916-L919 HydrophobicContact CB-CG 4.49Å; P916-L919 HydrophobicContact CG-CD1 4.4Å; P916-L919 PolarHBondContact O-N 2.84Å; P916-R920 PolarHBondContact O-N 3.31Å | ||
| 917 | A | 81.8 | Confident | 77.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.3 | -32.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L716 L919 R920 L921 | L716-A917 HydrophobicContact CB-CB 3.95Å; A917-L919 PolarHBondContact O-N 3.07Å; A917-R920 PolarHBondContact O-N 2.86Å; A917-L921 VanDerWaalsContact O-CB 3.29Å; A917-L921 WeakPolarHBondContact O-CB 3.4Å; A917-L921 PolarHBondContact O-N 3.27Å |
| 918 | E | 87 | Confident | 78.6 | Confident | 20 Ų | 20 | 47 Ų | 47 | 9% | 0.093 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.6 | -39.4 | 172.8 | 51.2 | -93.9 | -110.7 | 0 | 0 | 113.1 | T707 Q713 P916 L921 I922 L948 | T707-E918 WeakPolarHBondContact CB-OE1 3.36Å; T707-E918 HydrophobicContact CG2-CB 4.48Å; T707-E918 PolarHBondContact OG1-OE1 3.49Å; Q713-E918 PolarHBondContact NE2-OE2 3.44Å; P916-E918 HydrophobicContact CB-CG 4.01Å; P916-E918 VanDerWaalsContact CB-OE2 3.25Å; P916-E918 WeakPolarHBondContact CB-OE2 3.32Å; P916-E918 PolarHBondContact O-N 2.71Å; E918-L921 PolarHBondContact O-N 3.07Å; E918-I922 VanDerWaalsContact O-CG1 3.31Å; E918-I922 WeakPolarHBondContact O-CG1 3.31Å; E918-I922 PolarHBondContact O-N 3.45Å; E918-L948 HydrophobicContact CB-CD2 4.15Å |
| 919 | L | 85.1 | Confident | 79.4 | Confident | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -76.4 | -38 | 177.2 | -58.7 | -174.9 | 0 | 0 | 0 | 111.6 | L915 P916 A917 L921 I922 H923 A954 V958 | L915-L919 HydrophobicContact CB-CB 4.24Å; L915-L919 HydrophobicContact CD2-CD1 4.05Å; P916-L919 HydrophobicContact CB-CG 4.49Å; P916-L919 HydrophobicContact CG-CD1 4.4Å; P916-L919 PolarHBondContact O-N 2.84Å; A917-L919 PolarHBondContact O-N 3.07Å; L919-L921 VanDerWaalsContact C-N 3.27Å; L919-L921 PolarHBondContact O-N 3.21Å; L919-I922 HydrophobicContact CD2-CD1 4.31Å; L919-I922 PolarHBondContact O-N 3.04Å; L919-H923 WeakPolarHBondContact O-CB 3.06Å; L919-H923 PolarHBondContact O-N 3.19Å; L919-A954 HydrophobicContact CD2-CB 4.1Å; L919-V958 HydrophobicContact CD1-CG2 3.26Å; L919-V958 HydrophobicContact CD2-CG2 3.7Å; L919-V958 HydrophobicContact CG-CG2 4.1Å |
| 920 | R | 85.9 | Confident | 80.1 | Confident | 48 Ų | 48 | 39.3 Ų | 39.3 | 18% | 0.181 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.9 | -37.8 | 169.9 | -88.3 | -179.2 | -82.6 | 121.4 | -0.8 | 111.7 | F912 L915 P916 A917 A924 | F912-R920 VanDerWaalsContact O-CD 3.27Å; F912-R920 WeakPolarHBondContact O-CD 3.39Å; F912-R920 WeakPolarHBondContact O-CG 3.37Å; L915-R920 HydrophobicContact CB-CG 4.24Å; L915-R920 VanDerWaalsContact O-CZ 3.26Å; L915-R920 PolarHBondContact O-NE 2.76Å; L915-R920 PolarHBondContact O-NH2 2.78Å; P916-R920 PolarHBondContact O-N 3.31Å; A917-R920 PolarHBondContact O-N 2.86Å; R920-A924 VanDerWaalsContact O-CB 3.3Å; R920-A924 WeakPolarHBondContact O-CB 3.37Å; R920-A924 PolarHBondContact O-N 3.15Å |
| 921 | L | 88.6 | Confident | 80.5 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -72.1 | -43.7 | 176.3 | -175.1 | 59.6 | 0 | 0 | 0 | 111.8 | L716 V761 A917 E918 L919 H923 A924 L925 L948 | L716-L921 HydrophobicContact CD2-CD2 3.68Å; V761-L921 HydrophobicContact CG2-CD2 4.4Å; A917-L921 VanDerWaalsContact O-CB 3.29Å; A917-L921 WeakPolarHBondContact O-CB 3.4Å; A917-L921 PolarHBondContact O-N 3.27Å; E918-L921 PolarHBondContact O-N 3.07Å; L919-L921 VanDerWaalsContact C-N 3.27Å; L919-L921 PolarHBondContact O-N 3.21Å; L921-H923 VanDerWaalsContact C-N 3.29Å; L921-H923 PolarHBondContact O-N 3.33Å; L921-A924 PolarHBondContact O-N 2.96Å; L921-L925 HydrophobicContact CD1-CD1 4.23Å; L921-L925 HydrophobicContact CD1-CG 4.1Å; L921-L925 HydrophobicContact CG-CD1 3.98Å; L921-L925 HydrophobicContact CG-CG 4.32Å; L921-L925 WeakPolarHBondContact O-CB 3.16Å; L921-L925 VanDerWaalsContact O-CG 3.28Å; L921-L925 WeakPolarHBondContact O-CG 3.43Å; L921-L925 PolarHBondContact O-N 2.92Å; L921-L948 HydrophobicContact CD2-CD1 4.06Å; L921-L948 HydrophobicContact CG-CD1 4.28Å |
| 922 | I | 86.8 | Confident | 81.1 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.2 | -45.5 | 171.5 | -70.7 | 164.7 | 0 | 0 | 0 | 110.4 | E918 L919 M926 L948 A954 | E918-I922 VanDerWaalsContact O-CG1 3.31Å; E918-I922 WeakPolarHBondContact O-CG1 3.31Å; E918-I922 PolarHBondContact O-N 3.45Å; L919-I922 HydrophobicContact CD2-CD1 4.31Å; L919-I922 PolarHBondContact O-N 3.04Å; I922-M926 HydrophobicContact CG2-CG 4.3Å; I922-M926 WeakPolarHBondContact O-CB 3.1Å; I922-M926 VanDerWaalsContact O-CG 3.26Å; I922-M926 WeakPolarHBondContact O-CG 3.07Å; I922-M926 PolarHBondContact O-N 2.89Å; I922-L948 HydrophobicContact CD1-CB 3.95Å; I922-L948 HydrophobicContact CG1-CB 4.09Å; I922-L948 HydrophobicContact CG1-CD1 3.85Å; I922-A954 HydrophobicContact CD1-CB 3.89Å |
| 923 | H | 86.3 | Confident | 81.3 | Confident | 39 Ų | 39 | 38 Ų | 38 | 18% | 0.181 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.1 | -45.5 | 176.6 | -179.1 | -108 | 0 | 0 | 0 | 112.2 | F912 L919 L921 M926 T927 W968 | F912-H923 AromaticContact CD1-ND1 3.91Å; F912-H923 AromaticContact CE1-CD2 3.78Å; F912-H923 AromaticContact CE1-CE1 3.44Å; F912-H923 VanDerWaalsContact CE1-CE1 3.44Å; F912-H923 WeakPolarHBondContact CE1-CE1 3.18Å; F912-H923 AromaticContact CE1-CG 3.85Å; F912-H923 AromaticContact CE1-ND1 3.66Å; F912-H923 AromaticContact CE1-NE2 3.52Å; F912-H923 AromaticContact CZ-CE1 3.84Å; F912-H923 AromaticContact CZ-NE2 3.79Å; L919-H923 WeakPolarHBondContact O-CB 3.06Å; L919-H923 PolarHBondContact O-N 3.19Å; L921-H923 VanDerWaalsContact C-N 3.29Å; L921-H923 PolarHBondContact O-N 3.33Å; H923-M926 PolarHBondContact O-N 3.34Å; H923-T927 WeakPolarHBondContact O-CB 3.46Å; H923-T927 WeakPolarHBondContact O-CG2 3.29Å; H923-T927 PolarHBondContact O-N 3.49Å; H923-T927 PolarHBondContact O-OG1 2.64Å; H923-W968 AromaticContact CD2-CH2 3.97Å; H923-W968 AromaticContact CD2-CZ3 4Å; H923-W968 AromaticContact NE2-CH2 3.67Å |
| 924 | A | 84.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.2 | -46.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V723 R724 R920 L921 T927 T928 | V723-A924 HydrophobicContact CG1-CB 4.21Å; R724-A924 HydrophobicContact CG-CB 4.07Å; R920-A924 VanDerWaalsContact O-CB 3.3Å; R920-A924 WeakPolarHBondContact O-CB 3.37Å; R920-A924 PolarHBondContact O-N 3.15Å; L921-A924 PolarHBondContact O-N 2.96Å; A924-T927 PolarHBondContact O-N 2.78Å; A924-T927 PolarHBondContact O-OG1 3.34Å; A924-T927 VanDerWaalsContact O-OG1 3.08Å; A924-T928 WeakPolarHBondContact O-CB 3.16Å; A924-T928 WeakPolarHBondContact O-CG2 3.35Å; A924-T928 PolarHBondContact O-N 3.12Å; A924-T928 VanDerWaalsContact O-N 3.13Å; A924-T928 PolarHBondContact O-OG1 3.3Å |
| 925 | L | 88.4 | Confident | 82.2 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.5 | -48.8 | 176.3 | -69.2 | 171 | 0 | 0 | 0 | 111.3 | V723 F754 L921 T927 T928 I929 M941 M944 V945 | V723-L925 HydrophobicContact CG1-CD2 4.06Å; V723-L925 HydrophobicContact CG2-CD2 4.45Å; F754-L925 HydrophobicContact CE1-CD2 4.37Å; L921-L925 HydrophobicContact CD1-CD1 4.23Å; L921-L925 HydrophobicContact CD1-CG 4.1Å; L921-L925 HydrophobicContact CG-CD1 3.98Å; L921-L925 HydrophobicContact CG-CG 4.32Å; L921-L925 WeakPolarHBondContact O-CB 3.16Å; L921-L925 VanDerWaalsContact O-CG 3.28Å; L921-L925 WeakPolarHBondContact O-CG 3.43Å; L921-L925 PolarHBondContact O-N 2.92Å; L925-T927 VanDerWaalsContact C-N 3.31Å; L925-T927 PolarHBondContact O-N 3.05Å; L925-T928 PolarHBondContact O-N 2.96Å; L925-T928 PolarHBondContact O-OG1 3.18Å; L925-T928 VanDerWaalsContact O-OG1 3.09Å; L925-I929 WeakPolarHBondContact O-CB 3.46Å; L925-I929 PolarHBondContact O-N 2.77Å; L925-M941 HydrophobicContact CB-CE 4.38Å; L925-M941 HydrophobicContact CD2-CB 4.28Å; L925-M941 HydrophobicContact CD2-CE 3.89Å; L925-M941 HydrophobicContact CD2-CG 4.07Å; L925-M941 WeakPolarHBondContact O-CE 3.38Å; L925-M944 HydrophobicContact CD1-CB 3.81Å; L925-M944 HydrophobicContact CD1-CE 4.1Å; L925-M944 HydrophobicContact CD1-SD 4.46Å; L925-M944 HydrophobicContact CD2-CE 3.53Å; L925-M944 HydrophobicContact CG-CE 4.49Å; L925-V945 HydrophobicContact CB-CG2 4.12Å; L925-V945 HydrophobicContact CD1-CG2 3.98Å |
| 926 | M | 87.6 | Confident | 82.3 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -73.1 | -20.6 | -177.5 | -64.5 | -59.9 | -61.2 | 0 | 0 | 113.7 | I922 H923 V945 I973 L974 K977 F978 | I922-M926 HydrophobicContact CG2-CG 4.3Å; I922-M926 WeakPolarHBondContact O-CB 3.1Å; I922-M926 VanDerWaalsContact O-CG 3.26Å; I922-M926 WeakPolarHBondContact O-CG 3.07Å; I922-M926 PolarHBondContact O-N 2.89Å; H923-M926 PolarHBondContact O-N 3.34Å; M926-V945 HydrophobicContact CG-CG2 4.39Å; M926-V945 HydrophobicContact SD-CG1 4.47Å; M926-V945 HydrophobicContact SD-CG2 4.08Å; M926-I973 HydrophobicContact CB-CG2 3.31Å; M926-I973 WeakPolarHBondContact CE-O 3.46Å; M926-I973 HydrophobicContact CG-CG2 4.14Å; M926-L974 HydrophobicContact CG-CD2 4.4Å; M926-K977 HydrophobicContact CE-CB 3.83Å; M926-K977 HydrophobicContact CE-CD 4.26Å; M926-K977 WeakPolarHBondContact O-CD 3.43Å; M926-K977 VanDerWaalsContact O-CE 3.3Å; M926-K977 WeakPolarHBondContact O-CE 3.16Å; M926-K977 PolarHBondContact O-NZ 2.77Å; M926-F978 HydrophobicContact CE-CD1 3.83Å; M926-F978 HydrophobicContact CE-CE1 3.36Å; M926-F978 HydrophobicContact CE-CZ 3.92Å; M926-F978 HydrophobicContact SD-CE1 3.69Å; M926-F978 HydrophobicContact SD-CZ 4.2Å |
| 927 | T | 81.9 | Confident | 82.4 | Confident | 46 Ų | 46 | 27.6 Ų | 27.6 | 28% | 0.282 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -82.7 | -21.6 | 171.3 | 48.9 | 0 | 0 | 0 | 0 | 113.2 | H923 A924 L925 I973 | H923-T927 WeakPolarHBondContact O-CB 3.46Å; H923-T927 WeakPolarHBondContact O-CG2 3.29Å; H923-T927 PolarHBondContact O-N 3.49Å; H923-T927 PolarHBondContact O-OG1 2.64Å; A924-T927 PolarHBondContact O-N 2.78Å; A924-T927 PolarHBondContact O-OG1 3.34Å; A924-T927 VanDerWaalsContact O-OG1 3.08Å; L925-T927 VanDerWaalsContact C-N 3.31Å; L925-T927 PolarHBondContact O-N 3.05Å; T927-I973 HydrophobicContact CG2-CD1 4.31Å |
| 928 | T | 80.6 | Confident | 82.7 | Confident | 14 Ų | 14 | 29.4 Ų | 29.4 | 9% | 0.086 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -97.7 | -25 | 178.9 | 49.6 | 0 | 0 | 0 | 0 | 113.9 | V723 A924 L925 E930 K931 H932 M941 | V723-T928 HydrophobicContact CG1-CG2 4.42Å; A924-T928 WeakPolarHBondContact O-CB 3.16Å; A924-T928 WeakPolarHBondContact O-CG2 3.35Å; A924-T928 PolarHBondContact O-N 3.12Å; A924-T928 VanDerWaalsContact O-N 3.13Å; A924-T928 PolarHBondContact O-OG1 3.3Å; L925-T928 PolarHBondContact O-N 2.96Å; L925-T928 PolarHBondContact O-OG1 3.18Å; L925-T928 VanDerWaalsContact O-OG1 3.09Å; T928-E930 VanDerWaalsContact C-N 3.28Å; T928-E930 PolarHBondContact O-N 2.99Å; T928-E930 VanDerWaalsContact O-N 3.13Å; T928-K931 WeakPolarHBondContact O-CA 3.43Å; T928-K931 VanDerWaalsContact O-CB 3.31Å; T928-K931 WeakPolarHBondContact O-CB 3.04Å; T928-K931 PolarHBondContact O-N 3.2Å; T928-H932 PolarHBondContact O-CD2 3.01Å; T928-H932 PolarHBondContact O-N 3.19Å; T928-M941 WeakPolarHBondContact OG1-CE 3.48Å |
| 929 | I | 85.1 | Confident | 82.9 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -31.2 | -173.2 | -165.8 | 166.7 | 0 | 0 | 0 | 115.4 | L925 K931 K938 M941 L942 K977 L981 | L925-I929 WeakPolarHBondContact O-CB 3.46Å; L925-I929 PolarHBondContact O-N 2.77Å; I929-K931 VanDerWaalsContact C-N 3.33Å; I929-K938 HydrophobicContact CD1-CB 4.49Å; I929-K938 HydrophobicContact CG1-CB 4.3Å; I929-K938 HydrophobicContact CG1-CG 3.91Å; I929-K938 WeakPolarHBondContact O-CE 3.28Å; I929-M941 HydrophobicContact CB-CE 3.97Å; I929-M941 HydrophobicContact CB-SD 4.39Å; I929-M941 HydrophobicContact CD1-CB 4.35Å; I929-M941 HydrophobicContact CG1-SD 4.33Å; I929-L942 HydrophobicContact CD1-CD1 4.23Å; I929-L942 HydrophobicContact CD1-CD2 3.76Å; I929-L942 HydrophobicContact CD1-CG 3.61Å; I929-K977 HydrophobicContact CG2-CD 4.36Å; I929-L981 HydrophobicContact CD1-CD1 3.62Å; I929-L981 HydrophobicContact CG1-CD1 4.14Å |
| 930 | E | 76.2 | Confident | 83.1 | Confident | 85 Ų | 85 | 33.3 Ų | 33.3 | 40% | 0.397 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -16.9 | 175.4 | -73.3 | 175.3 | 129.7 | 0 | 0 | 113 | T928 K977 K980 | T928-E930 VanDerWaalsContact C-N 3.28Å; T928-E930 PolarHBondContact O-N 2.99Å; T928-E930 VanDerWaalsContact O-N 3.13Å; E930-K977 HydrophobicContact CG-CD 4.25Å; E930-K977 HydrophobicContact CG-CG 4.5Å; E930-K977 WeakPolarHBondContact OE2-CE 3.25Å; E930-K977 IonicContact OE2-NZ 2.63Å; E930-K977 PolarHBondContact OE2-NZ 3.44Å; E930-K980 WeakPolarHBondContact OE1-CD 3.44Å; E930-K980 IonicContact OE1-NZ 2.72Å; E930-K980 PolarHBondContact OE1-NZ 3.1Å |
| 931 | K | 74.4 | Confident | 83.3 | Confident | 168 Ų | 168 | 31 Ų | 31 | 73% | 0.73 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -31.3 | -179.9 | -56.3 | -174.7 | -179.6 | -175.6 | 0 | 112.5 | T928 I929 | T928-K931 WeakPolarHBondContact O-CA 3.43Å; T928-K931 VanDerWaalsContact O-CB 3.31Å; T928-K931 WeakPolarHBondContact O-CB 3.04Å; T928-K931 PolarHBondContact O-N 3.2Å; I929-K931 VanDerWaalsContact C-N 3.33Å |
| 932 | H | 76.9 | Confident | 83.5 | Confident | 14 Ų | 14 | 31 Ų | 31 | 7% | 0.065 | 15% | 0.149 | C | C | . | . | trans | -73.3 | 132.8 | 174.3 | -67.8 | -81 | 0 | 0 | 0 | 109.7 | T928 V937 K938 | T928-H932 PolarHBondContact O-CD2 3.01Å; T928-H932 PolarHBondContact O-N 3.19Å; H932-V937 HydrophobicContact CB-CG1 3.88Å; H932-K938 WeakPolarHBondContact O-CE 3.34Å; H932-K938 PolarHBondContact O-NZ 3.09Å | ||
| 933 | P | 71.2 | Confident | 83.7 | Confident | 44 Ų | 44 | 32.1 Ų | 32.1 | 29% | 0.286 | 16% | 0.155 | S | C | . | . | trans | -80.7 | -36 | 176.6 | 33.1 | -34.9 | 0 | 0 | 0 | 111.3 | Y741 K938 | Y741-P933 HydrophobicContact CE1-CB 3.98Å; Y741-P933 HydrophobicContact CE1-CG 4.46Å; P933-K938 PolarHBondContact O-NZ 2.8Å | ||
| 934 | D | 78 | Confident | 83.9 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.011 | 15% | 0.147 | C | C | . | . | trans | -62 | 126.8 | -174.4 | -179 | -13 | 0 | 0 | 0 | 114.2 | Y741 C747 T751 D936 V937 K938 | Y741-D934 HydrophobicContact CD1-CB 3.99Å; Y741-D934 HydrophobicContact CG-CB 4.25Å; C747-D934 HydrophobicContact CB-CB 4.22Å; C747-D934 WeakPolarHBondContact CB-OD2 3.27Å; T751-D934 PolarHBondContact OG1-OD2 3.28Å; D934-D936 WeakPolarHBondContact OD1-CB 3.39Å; D934-D936 PolarHBondContact OD1-N 3.05Å; D934-V937 HydrophobicContact CB-CB 3.97Å; D934-V937 HydrophobicContact CB-CG2 3.98Å; D934-V937 PolarHBondContact OD1-N 2.86Å; D934-V937 VanDerWaalsContact OD2-CG2 3.29Å; D934-V937 WeakPolarHBondContact OD2-CG2 3.19Å; D934-K938 WeakPolarHBondContact O-CD 3.38Å; D934-K938 VanDerWaalsContact O-CG 3.31Å; D934-K938 WeakPolarHBondContact O-CG 3.42Å; D934-K938 PolarHBondContact O-N 3.37Å | ||
| 935 | P | 78.6 | Confident | 84.2 | Confident | 8 Ų | 8 | 30.4 Ų | 30.4 | 5% | 0.052 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69 | -35.8 | 175.8 | 30.7 | -36.6 | 0 | 0 | 0 | 113.8 | Y741 K938 Y939 Y986 I989 | Y741-P935 HydrophobicContact CD2-CG 3.76Å; Y741-P935 HydrophobicContact CE2-CG 3.91Å; P935-K938 WeakPolarHBondContact O-CB 3.14Å; P935-K938 PolarHBondContact O-N 2.97Å; P935-Y939 WeakPolarHBondContact O-CB 3.05Å; P935-Y939 PolarHBondContact O-N 2.94Å; P935-Y986 HydrophobicContact CB-CD1 3.47Å; P935-Y986 VanDerWaalsContact CB-CD1 3.47Å; P935-Y986 HydrophobicContact CB-CD2 4.14Å; P935-Y986 HydrophobicContact CB-CE1 3.43Å; P935-Y986 VanDerWaalsContact CB-CE1 3.43Å; P935-Y986 HydrophobicContact CB-CE2 4.1Å; P935-Y986 HydrophobicContact CB-CG 3.84Å; P935-Y986 HydrophobicContact CG-CD1 3.94Å; P935-Y986 HydrophobicContact CG-CE1 3.41Å; P935-Y986 VanDerWaalsContact CG-CE1 3.41Å; P935-I989 HydrophobicContact CB-CD1 3.81Å; P935-I989 VanDerWaalsContact O-CD1 3.28Å; P935-I989 WeakPolarHBondContact O-CD1 3.33Å |
| 936 | D | 81.8 | Confident | 84.3 | Confident | 78 Ų | 78 | 32.7 Ų | 32.7 | 42% | 0.417 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -70.1 | -41.7 | -179.1 | -70.4 | -24.4 | 0 | 0 | 0 | 109.9 | T751 D934 K938 Y939 Y940 | T751-D936 HydrophobicContact CG2-CB 3.49Å; T751-D936 VanDerWaalsContact CG2-CB 3.49Å; D934-D936 WeakPolarHBondContact OD1-CB 3.39Å; D934-D936 PolarHBondContact OD1-N 3.05Å; D936-K938 VanDerWaalsContact C-N 3.34Å; D936-K938 PolarHBondContact O-N 2.9Å; D936-Y939 WeakPolarHBondContact O-CB 3.35Å; D936-Y939 PolarHBondContact O-N 2.59Å; D936-Y939 VanDerWaalsContact O-N 3.15Å; D936-Y940 HydrophobicContact CB-CE2 4.32Å; D936-Y940 WeakPolarHBondContact O-CD2 3.37Å; D936-Y940 PolarHBondContact O-N 3.44Å |
| 937 | V | 85.1 | Confident | 84.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.2 | -48.7 | 169 | 166.2 | 0 | 0 | 0 | 0 | 111 | F754 H932 D934 Y939 Y940 M941 | F754-V937 HydrophobicContact CD2-CB 4.27Å; F754-V937 HydrophobicContact CD2-CG1 3.52Å; F754-V937 HydrophobicContact CD2-CG2 4Å; F754-V937 HydrophobicContact CE2-CG1 3.63Å; F754-V937 HydrophobicContact CG-CG1 4.27Å; F754-V937 HydrophobicContact CZ-CG1 4.44Å; H932-V937 HydrophobicContact CB-CG1 3.88Å; D934-V937 HydrophobicContact CB-CB 3.97Å; D934-V937 HydrophobicContact CB-CG2 3.98Å; D934-V937 PolarHBondContact OD1-N 2.86Å; D934-V937 VanDerWaalsContact OD2-CG2 3.29Å; D934-V937 WeakPolarHBondContact OD2-CG2 3.19Å; V937-Y939 VanDerWaalsContact C-N 3.31Å; V937-Y939 PolarHBondContact O-N 3.06Å; V937-Y940 PolarHBondContact O-N 3.46Å; V937-M941 HydrophobicContact CG1-CG 4.33Å; V937-M941 HydrophobicContact CG1-SD 3.78Å; V937-M941 WeakPolarHBondContact O-CB 3.42Å; V937-M941 VanDerWaalsContact O-CG 3.22Å; V937-M941 WeakPolarHBondContact O-CG 3.4Å; V937-M941 PolarHBondContact O-N 3.39Å |
| 938 | K | 87.9 | Confident | 84.5 | Confident | 38 Ų | 38 | 30.9 Ų | 30.9 | 17% | 0.165 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.2 | -41.1 | 175.8 | -72.2 | 162.1 | -177.9 | 153.7 | 0 | 112.2 | I929 H932 P933 D934 P935 D936 M941 L942 L981 I989 | I929-K938 HydrophobicContact CD1-CB 4.49Å; I929-K938 HydrophobicContact CG1-CB 4.3Å; I929-K938 HydrophobicContact CG1-CG 3.91Å; I929-K938 WeakPolarHBondContact O-CE 3.28Å; H932-K938 WeakPolarHBondContact O-CE 3.34Å; H932-K938 PolarHBondContact O-NZ 3.09Å; P933-K938 PolarHBondContact O-NZ 2.8Å; D934-K938 WeakPolarHBondContact O-CD 3.38Å; D934-K938 VanDerWaalsContact O-CG 3.31Å; D934-K938 WeakPolarHBondContact O-CG 3.42Å; D934-K938 PolarHBondContact O-N 3.37Å; P935-K938 WeakPolarHBondContact O-CB 3.14Å; P935-K938 PolarHBondContact O-N 2.97Å; D936-K938 VanDerWaalsContact C-N 3.34Å; D936-K938 PolarHBondContact O-N 2.9Å; K938-M941 PolarHBondContact O-N 2.82Å; K938-L942 WeakPolarHBondContact O-CB 3.33Å; K938-L942 VanDerWaalsContact O-CG 3.26Å; K938-L942 WeakPolarHBondContact O-CG 3.37Å; K938-L942 PolarHBondContact O-N 3.08Å; K938-L981 HydrophobicContact CD-CD2 4.04Å; K938-I989 HydrophobicContact CB-CD1 4.12Å |
| 939 | Y | 90.2 | Very high | 84.7 | Confident | 55 Ų | 55 | 30.3 Ų | 30.3 | 22% | 0.216 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.6 | -48.6 | 177.2 | 174.4 | -102 | 0 | 0 | 0 | 111.4 | P935 D936 V937 L942 L943 Q988 I989 V992 | P935-Y939 WeakPolarHBondContact O-CB 3.05Å; P935-Y939 PolarHBondContact O-N 2.94Å; D936-Y939 WeakPolarHBondContact O-CB 3.35Å; D936-Y939 PolarHBondContact O-N 2.59Å; D936-Y939 VanDerWaalsContact O-N 3.15Å; V937-Y939 VanDerWaalsContact C-N 3.31Å; V937-Y939 PolarHBondContact O-N 3.06Å; Y939-L942 PolarHBondContact O-N 3.01Å; Y939-L943 HydrophobicContact CE1-CD2 4.35Å; Y939-L943 WeakPolarHBondContact O-CB 3.18Å; Y939-L943 PolarHBondContact O-N 2.96Å; Y939-Q988 HydrophobicContact CD2-CB 3.9Å; Y939-Q988 HydrophobicContact CE2-CB 3.73Å; Y939-I989 HydrophobicContact CD2-CG1 4.46Å; Y939-V992 HydrophobicContact CE2-CG2 4.04Å |
| 940 | Y | 90.2 | Very high | 84.5 | Confident | 52 Ų | 52 | 32.3 Ų | 32.3 | 20% | 0.204 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.6 | -38.7 | 177.6 | -68.6 | -58.9 | 0 | 0 | 0 | 112.6 | T751 Q755 V758 D936 V937 L942 L943 M944 | T751-Y940 HydrophobicContact CG2-CD2 4.04Å; T751-Y940 HydrophobicContact CG2-CE2 3.73Å; Q755-Y940 HydrophobicContact CG-CD1 4.25Å; Q755-Y940 HydrophobicContact CG-CD2 3.9Å; Q755-Y940 HydrophobicContact CG-CE1 3.79Å; Q755-Y940 HydrophobicContact CG-CE2 3.43Å; Q755-Y940 VanDerWaalsContact CG-CE2 3.43Å; Q755-Y940 HydrophobicContact CG-CG 4.31Å; Q755-Y940 PolarHBondContact NE2-OH 3.15Å; V758-Y940 HydrophobicContact CG2-CD1 4.03Å; V758-Y940 HydrophobicContact CG2-CG 4.35Å; V758-Y940 VanDerWaalsContact CG2-O 3.23Å; V758-Y940 WeakPolarHBondContact CG2-O 3.22Å; D936-Y940 HydrophobicContact CB-CE2 4.32Å; D936-Y940 WeakPolarHBondContact O-CD2 3.37Å; D936-Y940 PolarHBondContact O-N 3.44Å; V937-Y940 PolarHBondContact O-N 3.46Å; Y940-L942 PolarHBondContact O-N 3.23Å; Y940-L943 PolarHBondContact O-N 3.19Å; Y940-M944 PolarHBondContact O-N 3.43Å |
| 941 | M | 90 | Very high | 84.6 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.8 | -45.3 | 171.4 | -68.7 | 174.5 | 81.7 | 0 | 0 | 112.1 | F754 L925 T928 I929 V937 K938 L943 M944 V945 | F754-M941 HydrophobicContact CD1-CG 3.81Å; F754-M941 HydrophobicContact CE1-CG 3.65Å; F754-M941 HydrophobicContact CE1-SD 4.27Å; F754-M941 HydrophobicContact CG-CG 4.39Å; F754-M941 HydrophobicContact CZ-CG 4.1Å; F754-M941 HydrophobicContact CZ-SD 4.14Å; L925-M941 HydrophobicContact CB-CE 4.38Å; L925-M941 HydrophobicContact CD2-CB 4.28Å; L925-M941 HydrophobicContact CD2-CE 3.89Å; L925-M941 HydrophobicContact CD2-CG 4.07Å; L925-M941 WeakPolarHBondContact O-CE 3.38Å; T928-M941 WeakPolarHBondContact OG1-CE 3.48Å; I929-M941 HydrophobicContact CB-CE 3.97Å; I929-M941 HydrophobicContact CB-SD 4.39Å; I929-M941 HydrophobicContact CD1-CB 4.35Å; I929-M941 HydrophobicContact CG1-SD 4.33Å; V937-M941 HydrophobicContact CG1-CG 4.33Å; V937-M941 HydrophobicContact CG1-SD 3.78Å; V937-M941 WeakPolarHBondContact O-CB 3.42Å; V937-M941 VanDerWaalsContact O-CG 3.22Å; V937-M941 WeakPolarHBondContact O-CG 3.4Å; V937-M941 PolarHBondContact O-N 3.39Å; K938-M941 PolarHBondContact O-N 2.82Å; M941-L943 VanDerWaalsContact C-N 3.32Å; M941-L943 PolarHBondContact O-N 3.09Å; M941-M944 HydrophobicContact CG-CE 4.43Å; M941-M944 PolarHBondContact O-N 2.94Å; M941-V945 WeakPolarHBondContact O-CG2 3.35Å; M941-V945 PolarHBondContact O-N 2.96Å |
| 942 | L | 91.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.4 | -31.5 | 175.7 | -74 | 167.5 | 0 | 0 | 0 | 112.7 | I929 K938 Y939 Y940 V945 K946 F978 L981 I989 V992 L996 | I929-L942 HydrophobicContact CD1-CD1 4.23Å; I929-L942 HydrophobicContact CD1-CD2 3.76Å; I929-L942 HydrophobicContact CD1-CG 3.61Å; K938-L942 WeakPolarHBondContact O-CB 3.33Å; K938-L942 VanDerWaalsContact O-CG 3.26Å; K938-L942 WeakPolarHBondContact O-CG 3.37Å; K938-L942 PolarHBondContact O-N 3.08Å; Y939-L942 PolarHBondContact O-N 3.01Å; Y940-L942 PolarHBondContact O-N 3.23Å; L942-V945 PolarHBondContact O-N 3.39Å; L942-K946 VanDerWaalsContact O-CB 3.31Å; L942-K946 WeakPolarHBondContact O-CB 3.25Å; L942-K946 PolarHBondContact O-N 3.15Å; L942-F978 HydrophobicContact CD2-CD1 4Å; L942-F978 HydrophobicContact CD2-CE1 3.8Å; L942-L981 HydrophobicContact CD1-CD1 4.32Å; L942-L981 HydrophobicContact CD2-CD1 4.37Å; L942-I989 HydrophobicContact CD1-CG2 3.67Å; L942-V992 HydrophobicContact CB-CG1 3.81Å; L942-L996 HydrophobicContact CD2-CD1 4.19Å |
| 943 | L | 91.7 | Very high | 84.7 | Confident | 30 Ų | 30 | 24.9 Ų | 24.9 | 16% | 0.157 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.3 | -39.4 | 175.1 | -172.3 | 54.5 | 0 | 0 | 0 | 110.9 | V758 Y939 Y940 M941 K946 T947 | V758-L943 HydrophobicContact CG1-CD2 3.92Å; V758-L943 HydrophobicContact CG1-CG 4.23Å; Y939-L943 HydrophobicContact CE1-CD2 4.35Å; Y939-L943 WeakPolarHBondContact O-CB 3.18Å; Y939-L943 PolarHBondContact O-N 2.96Å; Y940-L943 PolarHBondContact O-N 3.19Å; M941-L943 VanDerWaalsContact C-N 3.32Å; M941-L943 PolarHBondContact O-N 3.09Å; L943-K946 HydrophobicContact CD1-CD 4.31Å; L943-K946 PolarHBondContact O-N 2.8Å; L943-T947 WeakPolarHBondContact O-CB 3.2Å; L943-T947 PolarHBondContact O-N 3.03Å; L943-T947 PolarHBondContact O-OG1 2.81Å |
| 944 | M | 91.5 | Very high | 85.1 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61 | -46.1 | 168.7 | -67.9 | -172.4 | -76.8 | 0 | 0 | 111.8 | M719 F754 A757 V758 V761 L925 Y940 M941 K946 T947 L948 | M719-M944 HydrophobicContact CE-SD 4.42Å; F754-M944 HydrophobicContact CD1-CE 3.68Å; F754-M944 HydrophobicContact CE1-CE 4.04Å; A757-M944 HydrophobicContact CB-CE 4.49Å; A757-M944 HydrophobicContact CB-SD 4.14Å; V758-M944 HydrophobicContact CB-CG 4.42Å; V758-M944 HydrophobicContact CG2-CG 3.6Å; V758-M944 HydrophobicContact CG2-SD 4.37Å; V761-M944 HydrophobicContact CB-CG 4.35Å; V761-M944 HydrophobicContact CG2-CG 4.26Å; V761-M944 HydrophobicContact CG2-SD 3.89Å; L925-M944 HydrophobicContact CD1-CB 3.81Å; L925-M944 HydrophobicContact CD1-CE 4.1Å; L925-M944 HydrophobicContact CD1-SD 4.46Å; L925-M944 HydrophobicContact CD2-CE 3.53Å; L925-M944 HydrophobicContact CG-CE 4.49Å; Y940-M944 PolarHBondContact O-N 3.43Å; M941-M944 HydrophobicContact CG-CE 4.43Å; M941-M944 PolarHBondContact O-N 2.94Å; M944-K946 PolarHBondContact O-N 3.39Å; M944-T947 PolarHBondContact O-N 2.86Å; M944-L948 VanDerWaalsContact O-CG 3.31Å; M944-L948 WeakPolarHBondContact O-CG 3.23Å; M944-L948 PolarHBondContact O-N 3.03Å |
| 945 | V | 90.5 | Very high | 85.2 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.3 | -43.2 | 176.6 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | L925 M926 M941 L942 T947 L948 C949 F978 L996 | L925-V945 HydrophobicContact CB-CG2 4.12Å; L925-V945 HydrophobicContact CD1-CG2 3.98Å; M926-V945 HydrophobicContact CG-CG2 4.39Å; M926-V945 HydrophobicContact SD-CG1 4.47Å; M926-V945 HydrophobicContact SD-CG2 4.08Å; M941-V945 WeakPolarHBondContact O-CG2 3.35Å; M941-V945 PolarHBondContact O-N 2.96Å; L942-V945 PolarHBondContact O-N 3.39Å; V945-T947 PolarHBondContact O-N 3.08Å; V945-L948 PolarHBondContact O-N 3.46Å; V945-C949 VanDerWaalsContact O-CB 3.26Å; V945-C949 WeakPolarHBondContact O-CB 3.37Å; V945-C949 PolarHBondContact O-N 3.37Å; V945-C949 PolarHBondContact O-SG 3.17Å; V945-F978 HydrophobicContact CG1-CZ 4.22Å; V945-L996 HydrophobicContact CG1-CD1 4.17Å; V945-L996 HydrophobicContact CG1-CD2 4.37Å |
| 946 | K | 90.5 | Very high | 84.7 | Confident | 48 Ų | 48 | 25.7 Ų | 25.7 | 21% | 0.209 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.1 | -47.4 | 174.6 | -176 | -176.2 | 178.9 | 173.7 | 0 | 111.1 | L942 L943 M944 L950 V992 | L942-K946 VanDerWaalsContact O-CB 3.31Å; L942-K946 WeakPolarHBondContact O-CB 3.25Å; L942-K946 PolarHBondContact O-N 3.15Å; L943-K946 HydrophobicContact CD1-CD 4.31Å; L943-K946 PolarHBondContact O-N 2.8Å; M944-K946 PolarHBondContact O-N 3.39Å; K946-L950 HydrophobicContact CG-CD1 3.75Å; K946-L950 HydrophobicContact CG-CG 4.4Å; K946-L950 VanDerWaalsContact O-CB 3.29Å; K946-L950 WeakPolarHBondContact O-CB 3.23Å; K946-L950 WeakPolarHBondContact O-CG 3.18Å; K946-L950 PolarHBondContact O-N 2.75Å; K946-V992 HydrophobicContact CB-CG1 4.03Å; K946-V992 HydrophobicContact CD-CG1 4.08Å; K946-V992 HydrophobicContact CD-CG2 4.33Å; K946-V992 HydrophobicContact CG-CG1 4.48Å |
| 947 | T | 85.6 | Confident | 84.2 | Confident | 8 Ų | 8 | 26.1 Ų | 26.1 | 5% | 0.049 | 13% | 0.13 | C | C | . | . | I | π-helix | trans | -62.1 | -46.8 | 177.7 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | V761 S765 L943 M944 V945 N951 C952 | V761-T947 HydrophobicContact CG1-CG2 4.33Å; S765-T947 VanDerWaalsContact OG-CG2 3.24Å; S765-T947 WeakPolarHBondContact OG-CG2 3.46Å; L943-T947 WeakPolarHBondContact O-CB 3.2Å; L943-T947 PolarHBondContact O-N 3.03Å; L943-T947 PolarHBondContact O-OG1 2.81Å; M944-T947 PolarHBondContact O-N 2.86Å; V945-T947 PolarHBondContact O-N 3.08Å; T947-N951 HydrophobicContact CG2-CB 4.39Å; T947-N951 WeakPolarHBondContact O-CA 3.2Å; T947-N951 VanDerWaalsContact O-CB 3.24Å; T947-N951 WeakPolarHBondContact O-CB 3.46Å; T947-N951 PolarHBondContact O-N 3.41Å; T947-C952 PolarHBondContact O-N 2.86Å |
| 948 | L | 86.6 | Confident | 83.5 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | I | π-helix | trans | -67.3 | -41.8 | 179.2 | -65.3 | 170.5 | 0 | 0 | 0 | 112.6 | T707 V761 E918 L921 I922 M944 V945 C952 A954 | T707-L948 HydrophobicContact CG2-CD2 4.38Å; V761-L948 HydrophobicContact CG1-CD2 4.32Å; V761-L948 HydrophobicContact CG1-CG 4.48Å; E918-L948 HydrophobicContact CB-CD2 4.15Å; L921-L948 HydrophobicContact CD2-CD1 4.06Å; L921-L948 HydrophobicContact CG-CD1 4.28Å; I922-L948 HydrophobicContact CD1-CB 3.95Å; I922-L948 HydrophobicContact CG1-CB 4.09Å; I922-L948 HydrophobicContact CG1-CD1 3.85Å; M944-L948 VanDerWaalsContact O-CG 3.31Å; M944-L948 WeakPolarHBondContact O-CG 3.23Å; M944-L948 PolarHBondContact O-N 3.03Å; V945-L948 PolarHBondContact O-N 3.46Å; L948-C952 WeakPolarHBondContact O-CB 3.25Å; L948-A954 WeakPolarHBondContact O-CB 3.34Å; L948-A954 PolarHBondContact O-N 3.25Å; L948-A954 VanDerWaalsContact O-N 3.13Å |
| 949 | C | 85.4 | Confident | 82.4 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.014 | 13% | 0.13 | C | C | . | . | I | π-helix | trans | -72.6 | -44.6 | -179.5 | -68 | 0 | 0 | 0 | 0 | 112.9 | V945 C953 L955 L996 | V945-C949 VanDerWaalsContact O-CB 3.26Å; V945-C949 WeakPolarHBondContact O-CB 3.37Å; V945-C949 PolarHBondContact O-N 3.37Å; V945-C949 PolarHBondContact O-SG 3.17Å; C949-C953 VanDerWaalsContact O-CA 3.3Å; C949-C953 WeakPolarHBondContact O-CA 3.37Å; C949-C953 PolarHBondContact O-N 2.79Å; C949-L955 HydrophobicContact CB-CD1 4.35Å; C949-L996 HydrophobicContact CB-CD2 4.16Å |
| 950 | L | 80.6 | Confident | 81.1 | Confident | 43 Ų | 43 | 30.9 Ų | 30.9 | 23% | 0.225 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -95.8 | -40.2 | -172.2 | -56.5 | -177.9 | 0 | 0 | 0 | 113.8 | K946 H999 | K946-L950 HydrophobicContact CG-CD1 3.75Å; K946-L950 HydrophobicContact CG-CG 4.4Å; K946-L950 VanDerWaalsContact O-CB 3.29Å; K946-L950 WeakPolarHBondContact O-CB 3.23Å; K946-L950 WeakPolarHBondContact O-CG 3.18Å; K946-L950 PolarHBondContact O-N 2.75Å; L950-H999 HydrophobicContact CD2-CB 4.13Å |
| 951 | N | 79.3 | Confident | 80.1 | Confident | 53 Ų | 53 | 36 Ų | 36 | 28% | 0.283 | 18% | 0.178 | S | C | . | . | I | π-helix | trans | -86.7 | -37.6 | -178.7 | -57.1 | 0.6 | 0 | 0 | 0 | 111.5 | T947 | T947-N951 HydrophobicContact CG2-CB 4.39Å; T947-N951 WeakPolarHBondContact O-CA 3.2Å; T947-N951 VanDerWaalsContact O-CB 3.24Å; T947-N951 WeakPolarHBondContact O-CB 3.46Å; T947-N951 PolarHBondContact O-N 3.41Å |
| 952 | C | 76.7 | Confident | 79.3 | Confident | 13 Ų | 13 | 38.9 Ų | 38.9 | 9% | 0.088 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -92.7 | -0.4 | 176.9 | -53.1 | 0 | 0 | 0 | 0 | 113.5 | P766 T947 L948 A954 N957 | P766-C952 VanDerWaalsContact CD-SG 3.59Å; T947-C952 PolarHBondContact O-N 2.86Å; L948-C952 WeakPolarHBondContact O-CB 3.25Å; C952-A954 PolarHBondContact O-N 3.09Å; C952-A954 VanDerWaalsContact O-N 3.13Å; C952-N957 PolarHBondContact O-ND2 3.34Å |
| 953 | C | 76.6 | Confident | 78.7 | Confident | 44 Ų | 44 | 45.8 Ų | 45.8 | 30% | 0.297 | 22% | 0.216 | S | C | . | . | trans | 53.6 | 27.4 | -178 | -66.2 | 0 | 0 | 0 | 0 | 114.6 | C949 L955 K956 N957 | C949-C953 VanDerWaalsContact O-CA 3.3Å; C949-C953 WeakPolarHBondContact O-CA 3.37Å; C949-C953 PolarHBondContact O-N 2.79Å; C953-L955 PolarHBondContact O-N 2.9Å; C953-K956 HydrophobicContact CB-CB 4.45Å; C953-K956 PolarHBondContact O-N 2.87Å; C953-N957 VanDerWaalsContact O-CG 3.28Å; C953-N957 PolarHBondContact O-N 3.14Å; C953-N957 PolarHBondContact O-ND2 3.45Å | ||
| 954 | A | 79.7 | Confident | 77.9 | Confident | 5 Ų | 5 | 44.7 Ų | 44.7 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.5 | -43.8 | -165.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L919 I922 L948 C952 V958 | L919-A954 HydrophobicContact CD2-CB 4.1Å; I922-A954 HydrophobicContact CD1-CB 3.89Å; L948-A954 WeakPolarHBondContact O-CB 3.34Å; L948-A954 PolarHBondContact O-N 3.25Å; L948-A954 VanDerWaalsContact O-N 3.13Å; C952-A954 PolarHBondContact O-N 3.09Å; C952-A954 VanDerWaalsContact O-N 3.13Å; A954-V958 WeakPolarHBondContact O-CG2 3.29Å; A954-V958 PolarHBondContact O-N 3.3Å |
| 955 | L | 78.3 | Confident | 77.5 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73 | -29.7 | 179 | -64.3 | 179.4 | 0 | 0 | 0 | 113.3 | C949 C953 L966 L974 L1003 | C949-L955 HydrophobicContact CB-CD1 4.35Å; C953-L955 PolarHBondContact O-N 2.9Å; L955-L966 HydrophobicContact CB-CD1 4.35Å; L955-L966 HydrophobicContact CD2-CD1 4.17Å; L955-L974 HydrophobicContact CD1-CD1 3.95Å; L955-L974 HydrophobicContact CD2-CD1 4.17Å; L955-L1003 HydrophobicContact CB-CD1 4.15Å |
| 956 | K | 69.8 | Low | 77.1 | Confident | 64 Ų | 64 | 44.9 Ų | 44.9 | 28% | 0.278 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -72.2 | -41.8 | 176.8 | -169.2 | 179.1 | 179.9 | -176.8 | 0 | 111 | E841 C953 V958 Q959 | E841-K956 IonicContact OE2-NZ 2.69Å; E841-K956 PolarHBondContact OE2-NZ 3.47Å; C953-K956 HydrophobicContact CB-CB 4.45Å; C953-K956 PolarHBondContact O-N 2.87Å; K956-V958 PolarHBondContact O-N 3.44Å; K956-Q959 WeakPolarHBondContact O-CB 3.41Å; K956-Q959 WeakPolarHBondContact O-CG 3.43Å; K956-Q959 PolarHBondContact O-N 2.96Å |
| 957 | N | 71.4 | Confident | 76.6 | Confident | 87 Ų | 87 | 43 Ų | 43 | 47% | 0.465 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.3 | -34.1 | 175.4 | -61.7 | -22.8 | 0 | 0 | 0 | 111.9 | C952 C953 Q959 | C952-N957 PolarHBondContact O-ND2 3.34Å; C953-N957 VanDerWaalsContact O-CG 3.28Å; C953-N957 PolarHBondContact O-N 3.14Å; C953-N957 PolarHBondContact O-ND2 3.45Å; N957-Q959 VanDerWaalsContact C-N 3.33Å; N957-Q959 PolarHBondContact O-N 3.04Å |
| 958 | V | 70.3 | Confident | 76.5 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.03 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.4 | -24 | 179.2 | 153.7 | 0 | 0 | 0 | 0 | 114.2 | L919 A954 K956 F960 Y962 R963 F965 L966 | L919-V958 HydrophobicContact CD1-CG2 3.26Å; L919-V958 HydrophobicContact CD2-CG2 3.7Å; L919-V958 HydrophobicContact CG-CG2 4.1Å; A954-V958 WeakPolarHBondContact O-CG2 3.29Å; A954-V958 PolarHBondContact O-N 3.3Å; K956-V958 PolarHBondContact O-N 3.44Å; V958-F960 PolarHBondContact O-N 3.07Å; V958-Y962 HydrophobicContact CG2-CD2 4.47Å; V958-Y962 CarbonylContact O-C 3.52Å; V958-Y962 PolarHBondContact O-N 3.15Å; V958-R963 PolarHBondContact O-N 2.76Å; V958-F965 HydrophobicContact CG1-CD1 4.42Å; V958-L966 HydrophobicContact CG1-CB 3.81Å; V958-L966 HydrophobicContact CG1-CD1 4.29Å; V958-L966 HydrophobicContact CG1-CG 4.46Å |
| 959 | Q | 64.1 | Low | 76.4 | Confident | 30 Ų | 30 | 44.5 Ų | 44.5 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.3 | -23.9 | -167.3 | 81.2 | -171.1 | 0.8 | 0 | 0 | 114.5 | Y843 K956 N957 L966 | Y843-Q959 PolarHBondContact OH-NE2 2.98Å; K956-Q959 WeakPolarHBondContact O-CB 3.41Å; K956-Q959 WeakPolarHBondContact O-CG 3.43Å; K956-Q959 PolarHBondContact O-N 2.96Å; N957-Q959 VanDerWaalsContact C-N 3.33Å; N957-Q959 PolarHBondContact O-N 3.04Å; Q959-L966 HydrophobicContact CB-CD2 4.07Å |
| 960 | F | 63.8 | Low | 76.3 | Confident | 159 Ų | 159 | 44.5 Ų | 44.5 | 70% | 0.697 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -96.6 | -59.4 | 176.8 | -58.8 | -64.7 | 0 | 0 | 0 | 112.2 | V958 | V958-F960 PolarHBondContact O-N 3.07Å |
| 961 | E | 67.9 | Low | 76.4 | Confident | 158 Ų | 158 | 43.9 Ų | 43.9 | 74% | 0.738 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -74.2 | -36.1 | -171 | -67.4 | -175.8 | 156.2 | 0 | 0 | 113.7 | ||
| 962 | Y | 74.5 | Confident | 76.4 | Confident | 61 Ų | 61 | 45 Ų | 45 | 24% | 0.239 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | 40 | -174.1 | -53.7 | -89.1 | 0 | 0 | 0 | 111.9 | E914 L915 V958 G964 F965 L966 | E914-Y962 PolarHBondContact O-OH 2.69Å; L915-Y962 HydrophobicContact CD2-CD1 3.95Å; L915-Y962 HydrophobicContact CD2-CE1 4.18Å; L915-Y962 HydrophobicContact CD2-CG 4.35Å; V958-Y962 HydrophobicContact CG2-CD2 4.47Å; V958-Y962 CarbonylContact O-C 3.52Å; V958-Y962 PolarHBondContact O-N 3.15Å; Y962-G964 PolarHBondContact O-N 3.36Å; Y962-G964 VanDerWaalsContact O-N 3.09Å; Y962-F965 WeakPolarHBondContact O-CA 3.1Å; Y962-F965 WeakPolarHBondContact O-CB 3.14Å; Y962-F965 PolarHBondContact O-N 2.88Å; Y962-L966 PolarHBondContact O-N 2.84Å; Y962-L966 VanDerWaalsContact O-N 3.17Å |
| 963 | R | 77.1 | Confident | 76.8 | Confident | 146 Ų | 146 | 45.1 Ų | 45.1 | 55% | 0.551 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -49.6 | -37.8 | -178.9 | -179.4 | 174.3 | 170.5 | 162.6 | -1.7 | 113.9 | V958 F965 L966 I967 | V958-R963 PolarHBondContact O-N 2.76Å; R963-F965 VanDerWaalsContact C-N 3.35Å; R963-F965 PolarHBondContact O-N 3.44Å; R963-L966 WeakPolarHBondContact O-CB 3.48Å; R963-L966 PolarHBondContact O-N 2.83Å; R963-I967 HydrophobicContact CG-CD1 3.95Å; R963-I967 WeakPolarHBondContact O-CG1 3.16Å; R963-I967 PolarHBondContact O-N 3.48Å; R963-I967 VanDerWaalsContact O-N 3.09Å |
| 964 | G | 75.5 | Confident | 77.3 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 6% | 0.062 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.7 | -37.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F908 Y962 W968 | F908-G964 VanDerWaalsContact CG-CA 3.47Å; Y962-G964 PolarHBondContact O-N 3.36Å; Y962-G964 VanDerWaalsContact O-N 3.09Å; G964-W968 WeakPolarHBondContact O-CB 3.44Å; G964-W968 PolarHBondContact O-N 3.17Å |
| 965 | F | 82.3 | Confident | 77.7 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 2% | 0.022 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.7 | -38.3 | 172.9 | 178 | -101.1 | 0 | 0 | 0 | 110.9 | L901 I910 F912 L915 V958 Y962 R963 W968 A969 | L901-F965 HydrophobicContact CD1-CB 4.47Å; L901-F965 HydrophobicContact CD1-CD2 4.18Å; I910-F965 HydrophobicContact CD1-CB 3.78Å; I910-F965 VanDerWaalsContact CD1-N 3.31Å; F912-F965 HydrophobicContact CE1-CE2 4.35Å; L915-F965 HydrophobicContact CD1-CD2 4.14Å; L915-F965 HydrophobicContact CD1-CE2 3.95Å; L915-F965 HydrophobicContact CD1-CZ 4.4Å; L915-F965 HydrophobicContact CD2-CG 4.47Å; V958-F965 HydrophobicContact CG1-CD1 4.42Å; Y962-F965 WeakPolarHBondContact O-CA 3.1Å; Y962-F965 WeakPolarHBondContact O-CB 3.14Å; Y962-F965 PolarHBondContact O-N 2.88Å; R963-F965 VanDerWaalsContact C-N 3.35Å; R963-F965 PolarHBondContact O-N 3.44Å; F965-W968 HydrophobicContact CD2-CE3 4.05Å; F965-W968 HydrophobicContact CD2-CZ3 4.23Å; F965-W968 HydrophobicContact CE2-CE3 4.09Å; F965-W968 AromaticContact CE2-CZ3 3.86Å; F965-W968 HydrophobicContact CE2-CZ3 3.86Å; F965-A969 HydrophobicContact CE1-CB 4.39Å; F965-A969 WeakPolarHBondContact O-CB 3.46Å; F965-A969 PolarHBondContact O-N 3.49Å |
| 966 | L | 83.1 | Confident | 78.1 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62 | -50.4 | 178.7 | -170.2 | 58.3 | 0 | 0 | 0 | 112.5 | L955 V958 Q959 Y962 R963 A969 Q970 L1003 | L955-L966 HydrophobicContact CB-CD1 4.35Å; L955-L966 HydrophobicContact CD2-CD1 4.17Å; V958-L966 HydrophobicContact CG1-CB 3.81Å; V958-L966 HydrophobicContact CG1-CD1 4.29Å; V958-L966 HydrophobicContact CG1-CG 4.46Å; Q959-L966 HydrophobicContact CB-CD2 4.07Å; Y962-L966 PolarHBondContact O-N 2.84Å; Y962-L966 VanDerWaalsContact O-N 3.17Å; R963-L966 WeakPolarHBondContact O-CB 3.48Å; R963-L966 PolarHBondContact O-N 2.83Å; L966-A969 PolarHBondContact O-N 2.89Å; L966-Q970 WeakPolarHBondContact O-CB 3.31Å; L966-Q970 WeakPolarHBondContact O-CG 3.18Å; L966-Q970 PolarHBondContact O-N 3.14Å; L966-L1003 HydrophobicContact CD1-CD1 4.36Å |
| 967 | I | 80.4 | Confident | 79.1 | Confident | 9 Ų | 9 | 42.2 Ų | 42.2 | 5% | 0.046 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61 | -48.7 | 180 | -63.8 | 162.2 | 0 | 0 | 0 | 109.5 | T903 F908 R963 A969 Q970 E971 | T903-I967 HydrophobicContact CG2-CB 4.5Å; T903-I967 HydrophobicContact CG2-CG2 3.99Å; F908-I967 HydrophobicContact CE2-CD1 4.29Å; F908-I967 HydrophobicContact CZ-CD1 4Å; R963-I967 HydrophobicContact CG-CD1 3.95Å; R963-I967 WeakPolarHBondContact O-CG1 3.16Å; R963-I967 PolarHBondContact O-N 3.48Å; R963-I967 VanDerWaalsContact O-N 3.09Å; I967-A969 PolarHBondContact O-N 3.1Å; I967-Q970 PolarHBondContact O-N 3.05Å; I967-E971 WeakPolarHBondContact O-CG 3.29Å; I967-E971 PolarHBondContact O-N 2.74Å |
| 968 | W | 83.5 | Confident | 80.1 | Confident | 36 Ų | 36 | 38.1 Ų | 38.1 | 14% | 0.136 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.3 | -43.6 | 177.4 | 176.4 | 80.7 | 0 | 0 | 0 | 113.1 | L901 T903 F912 H923 G964 F965 E971 N972 I973 | L901-W968 HydrophobicContact CB-CB 4.07Å; L901-W968 HydrophobicContact CB-CD2 4.25Å; L901-W968 HydrophobicContact CB-CG 3.74Å; L901-W968 HydrophobicContact CD1-CB 4.2Å; L901-W968 HydrophobicContact CD1-CD2 4.05Å; L901-W968 HydrophobicContact CD1-CE3 4.08Å; L901-W968 HydrophobicContact CD1-CG 4.1Å; L901-W968 HydrophobicContact CD2-CD2 3.91Å; L901-W968 HydrophobicContact CD2-CE3 4.25Å; L901-W968 HydrophobicContact CD2-CG 4.32Å; L901-W968 HydrophobicContact CD2-CH2 4.35Å; L901-W968 HydrophobicContact CD2-CZ2 4.06Å; L901-W968 HydrophobicContact CD2-CZ3 4.46Å; L901-W968 HydrophobicContact CG-CD2 4.29Å; L901-W968 HydrophobicContact CG-CG 4.27Å; T903-W968 HydrophobicContact CG2-CB 3.69Å; T903-W968 HydrophobicContact CG2-CG 4.44Å; F912-W968 HydrophobicContact CE1-CH2 4.43Å; F912-W968 HydrophobicContact CE1-CZ3 4.42Å; F912-W968 HydrophobicContact CZ-CH2 4.02Å; F912-W968 HydrophobicContact CZ-CZ3 4.34Å; H923-W968 AromaticContact CD2-CH2 3.97Å; H923-W968 AromaticContact CD2-CZ3 4Å; H923-W968 AromaticContact NE2-CH2 3.67Å; G964-W968 WeakPolarHBondContact O-CB 3.44Å; G964-W968 PolarHBondContact O-N 3.17Å; F965-W968 HydrophobicContact CD2-CE3 4.05Å; F965-W968 HydrophobicContact CD2-CZ3 4.23Å; F965-W968 HydrophobicContact CE2-CE3 4.09Å; F965-W968 AromaticContact CE2-CZ3 3.86Å; F965-W968 HydrophobicContact CE2-CZ3 3.86Å; W968-E971 PolarHBondContact O-N 2.74Å; W968-N972 PolarHBondContact NE1-ND2 3.35Å; W968-N972 WeakPolarHBondContact O-CB 3.33Å; W968-N972 PolarHBondContact O-N 3.21Å; W968-N972 PolarHBondContact O-ND2 3.02Å; W968-I973 HydrophobicContact CE3-CD1 4.48Å; W968-I973 HydrophobicContact CH2-CD1 3.29Å; W968-I973 HydrophobicContact CH2-CG1 4.3Å; W968-I973 HydrophobicContact CZ2-CD1 3.97Å; W968-I973 HydrophobicContact CZ3-CD1 3.59Å |
| 969 | A | 83.7 | Confident | 81.1 | Confident | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.033 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.7 | -42.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | F965 L966 I967 I973 L974 | F965-A969 HydrophobicContact CE1-CB 4.39Å; F965-A969 WeakPolarHBondContact O-CB 3.46Å; F965-A969 PolarHBondContact O-N 3.49Å; L966-A969 PolarHBondContact O-N 2.89Å; I967-A969 PolarHBondContact O-N 3.1Å; A969-I973 CarbonylContact O-C 3.59Å; A969-I973 WeakPolarHBondContact O-CA 3.37Å; A969-I973 PolarHBondContact O-N 3.06Å; A969-L974 HydrophobicContact CB-CD1 3.88Å; A969-L974 HydrophobicContact CB-CG 4.15Å; A969-L974 WeakPolarHBondContact O-CG 3.47Å; A969-L974 PolarHBondContact O-N 3.27Å |
| 970 | Q | 84.6 | Confident | 82.2 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.009 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -59.6 | -51.4 | 175 | -77.2 | -167.4 | -23.4 | 0 | 0 | 112.2 | L966 I967 L974 I975 C1000 L1003 P1004 | L966-Q970 WeakPolarHBondContact O-CB 3.31Å; L966-Q970 WeakPolarHBondContact O-CG 3.18Å; L966-Q970 PolarHBondContact O-N 3.14Å; I967-Q970 PolarHBondContact O-N 3.05Å; Q970-L974 HydrophobicContact CG-CD1 4.4Å; Q970-I975 HydrophobicContact CB-CD1 4.36Å; Q970-I975 PolarHBondContact O-N 3.02Å; Q970-C1000 PolarHBondContact NE2-O 3.13Å; Q970-C1000 VanDerWaalsContact NE2-O 3.16Å; Q970-L1003 VanDerWaalsContact NE2-CB 3.26Å; Q970-P1004 PolarHBondContact OE1-O 3.47Å |
| 971 | E | 81.2 | Confident | 83.4 | Confident | 30 Ų | 30 | 34.6 Ų | 34.6 | 14% | 0.14 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -63.6 | -46.6 | -177.4 | -74.8 | -179.2 | 178.9 | 0 | 0 | 112.8 | T903 R904 I967 W968 V1009 | T903-E971 WeakPolarHBondContact CA-OE2 3.22Å; T903-E971 VanDerWaalsContact CB-OE2 3.25Å; T903-E971 WeakPolarHBondContact CB-OE2 3.17Å; R904-E971 WeakPolarHBondContact CB-OE1 3.34Å; R904-E971 PolarHBondContact N-OE1 3.28Å; R904-E971 PolarHBondContact N-OE2 3.33Å; I967-E971 WeakPolarHBondContact O-CG 3.29Å; I967-E971 PolarHBondContact O-N 2.74Å; W968-E971 PolarHBondContact O-N 2.74Å; E971-V1009 HydrophobicContact CB-CG2 4.42Å; E971-V1009 HydrophobicContact CG-CG2 3.6Å |
| 972 | N | 80.6 | Confident | 84.4 | Confident | 76 Ų | 76 | 27.1 Ų | 27.1 | 41% | 0.406 | 12% | 0.124 | S | C | . | . | I | π-helix | trans | -103.3 | -25.2 | -165.9 | -62 | -72.4 | 0 | 0 | 0 | 114.7 | Y902 W968 | Y902-N972 PolarHBondContact O-ND2 3.26Å; W968-N972 PolarHBondContact NE1-ND2 3.35Å; W968-N972 WeakPolarHBondContact O-CB 3.33Å; W968-N972 PolarHBondContact O-N 3.21Å; W968-N972 PolarHBondContact O-ND2 3.02Å |
| 973 | I | 84.4 | Confident | 84.9 | Confident | 15 Ų | 15 | 27.6 Ų | 27.6 | 8% | 0.077 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -129 | -45.5 | -164.9 | -62.6 | -169.6 | 0 | 0 | 0 | 114.1 | M926 T927 W968 A969 K977 | M926-I973 HydrophobicContact CB-CG2 3.31Å; M926-I973 WeakPolarHBondContact CE-O 3.46Å; M926-I973 HydrophobicContact CG-CG2 4.14Å; T927-I973 HydrophobicContact CG2-CD1 4.31Å; W968-I973 HydrophobicContact CE3-CD1 4.48Å; W968-I973 HydrophobicContact CH2-CD1 3.29Å; W968-I973 HydrophobicContact CH2-CG1 4.3Å; W968-I973 HydrophobicContact CZ2-CD1 3.97Å; W968-I973 HydrophobicContact CZ3-CD1 3.59Å; A969-I973 CarbonylContact O-C 3.59Å; A969-I973 WeakPolarHBondContact O-CA 3.37Å; A969-I973 PolarHBondContact O-N 3.06Å; I973-K977 HydrophobicContact CG2-CD 4.32Å; I973-K977 WeakPolarHBondContact O-CB 3.24Å; I973-K977 WeakPolarHBondContact O-CD 3.49Å; I973-K977 WeakPolarHBondContact O-CG 3.37Å |
| 974 | L | 88.1 | Confident | 85.1 | Confident | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | I | π-helix | trans | -78.7 | -76.6 | -172.5 | -63.7 | 172.3 | 0 | 0 | 0 | 110.4 | M926 L955 A969 Q970 S976 K977 F978 | M926-L974 HydrophobicContact CG-CD2 4.4Å; L955-L974 HydrophobicContact CD1-CD1 3.95Å; L955-L974 HydrophobicContact CD2-CD1 4.17Å; A969-L974 HydrophobicContact CB-CD1 3.88Å; A969-L974 HydrophobicContact CB-CG 4.15Å; A969-L974 WeakPolarHBondContact O-CG 3.47Å; A969-L974 PolarHBondContact O-N 3.27Å; Q970-L974 HydrophobicContact CG-CD1 4.4Å; L974-S976 VanDerWaalsContact C-N 3.32Å; L974-S976 PolarHBondContact O-N 3.02Å; L974-K977 PolarHBondContact O-N 3.14Å; L974-F978 VanDerWaalsContact C-CD2 3.48Å; L974-F978 HydrophobicContact CB-CD2 4.31Å; L974-F978 HydrophobicContact CB-CE2 3.79Å; L974-F978 HydrophobicContact CB-CZ 4.4Å; L974-F978 HydrophobicContact CD2-CE2 3.98Å; L974-F978 HydrophobicContact CD2-CZ 3.82Å; L974-F978 HydrophobicContact CG-CE2 4.48Å; L974-F978 WeakPolarHBondContact O-CB 3.48Å; L974-F978 WeakPolarHBondContact O-CD2 3.46Å; L974-F978 WeakPolarHBondContact O-CG 3.29Å; L974-F978 PolarHBondContact O-N 2.9Å |
| 975 | I | 87.9 | Confident | 85.3 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.6 | -42.3 | -173.1 | -64.7 | 168.1 | 0 | 0 | 0 | 110.7 | Q970 K977 W979 C1000 G1006 V1009 F1010 | Q970-I975 HydrophobicContact CB-CD1 4.36Å; Q970-I975 PolarHBondContact O-N 3.02Å; I975-K977 PolarHBondContact O-N 3.39Å; I975-W979 WeakPolarHBondContact O-CB 3.03Å; I975-W979 PolarHBondContact O-N 3.48Å; I975-C1000 HydrophobicContact CD1-CB 3.92Å; I975-C1000 HydrophobicContact CG1-CB 3.73Å; I975-G1006 VanDerWaalsContact CD1-O 3.27Å; I975-G1006 WeakPolarHBondContact CD1-O 3.46Å; I975-V1009 HydrophobicContact CB-CG1 3.95Å; I975-V1009 HydrophobicContact CD1-CB 3.87Å; I975-V1009 HydrophobicContact CD1-CG1 4.07Å; I975-V1009 HydrophobicContact CG2-CG1 4.03Å; I975-F1010 HydrophobicContact CG2-CB 4.06Å; I975-F1010 HydrophobicContact CG2-CD2 4.24Å |
| 976 | S | 86.9 | Confident | 85.4 | Confident | 31 Ų | 31 | 30.9 Ų | 30.9 | 22% | 0.217 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.2 | -45.8 | 177.1 | -178.7 | 0 | 0 | 0 | 0 | 112.9 | L974 K980 | L974-S976 VanDerWaalsContact C-N 3.32Å; L974-S976 PolarHBondContact O-N 3.02Å; S976-K980 WeakPolarHBondContact O-CG 3.47Å; S976-K980 PolarHBondContact O-N 3.15Å |
| 977 | K | 89.2 | Confident | 85.5 | Confident | 20 Ų | 20 | 33.5 Ų | 33.5 | 9% | 0.087 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -81.7 | -37.6 | -179.5 | -58.4 | -176 | -175.8 | -140.3 | 0 | 112.8 | M926 I929 E930 I973 L974 I975 W979 K980 L981 | M926-K977 HydrophobicContact CE-CB 3.83Å; M926-K977 HydrophobicContact CE-CD 4.26Å; M926-K977 WeakPolarHBondContact O-CD 3.43Å; M926-K977 VanDerWaalsContact O-CE 3.3Å; M926-K977 WeakPolarHBondContact O-CE 3.16Å; M926-K977 PolarHBondContact O-NZ 2.77Å; I929-K977 HydrophobicContact CG2-CD 4.36Å; E930-K977 HydrophobicContact CG-CD 4.25Å; E930-K977 HydrophobicContact CG-CG 4.5Å; E930-K977 WeakPolarHBondContact OE2-CE 3.25Å; E930-K977 IonicContact OE2-NZ 2.63Å; E930-K977 PolarHBondContact OE2-NZ 3.44Å; I973-K977 HydrophobicContact CG2-CD 4.32Å; I973-K977 WeakPolarHBondContact O-CB 3.24Å; I973-K977 WeakPolarHBondContact O-CD 3.49Å; I973-K977 WeakPolarHBondContact O-CG 3.37Å; L974-K977 PolarHBondContact O-N 3.14Å; I975-K977 PolarHBondContact O-N 3.39Å; K977-W979 PolarHBondContact O-N 2.98Å; K977-K980 PolarHBondContact O-N 3.36Å; K977-K980 VanDerWaalsContact O-N 3.17Å; K977-L981 VanDerWaalsContact O-CG 3.29Å; K977-L981 WeakPolarHBondContact O-CG 3.46Å; K977-L981 PolarHBondContact O-N 2.94Å; K977-L981 VanDerWaalsContact O-N 3.08Å |
| 978 | F | 92.4 | Very high | 85.6 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.9 | -38.2 | 173 | -59.9 | -34 | 0 | 0 | 0 | 111.4 | M926 L942 V945 L974 L981 L982 C993 L996 I997 | M926-F978 HydrophobicContact CE-CD1 3.83Å; M926-F978 HydrophobicContact CE-CE1 3.36Å; M926-F978 HydrophobicContact CE-CZ 3.92Å; M926-F978 HydrophobicContact SD-CE1 3.69Å; M926-F978 HydrophobicContact SD-CZ 4.2Å; L942-F978 HydrophobicContact CD2-CD1 4Å; L942-F978 HydrophobicContact CD2-CE1 3.8Å; V945-F978 HydrophobicContact CG1-CZ 4.22Å; L974-F978 VanDerWaalsContact C-CD2 3.48Å; L974-F978 HydrophobicContact CB-CD2 4.31Å; L974-F978 HydrophobicContact CB-CE2 3.79Å; L974-F978 HydrophobicContact CB-CZ 4.4Å; L974-F978 HydrophobicContact CD2-CE2 3.98Å; L974-F978 HydrophobicContact CD2-CZ 3.82Å; L974-F978 HydrophobicContact CG-CE2 4.48Å; L974-F978 WeakPolarHBondContact O-CB 3.48Å; L974-F978 WeakPolarHBondContact O-CD2 3.46Å; L974-F978 WeakPolarHBondContact O-CG 3.29Å; L974-F978 PolarHBondContact O-N 2.9Å; F978-L981 PolarHBondContact O-N 3.08Å; F978-L982 PolarHBondContact O-N 3.11Å; F978-C993 HydrophobicContact CB-CB 4.47Å; F978-L996 HydrophobicContact CD1-CD1 4.33Å; F978-L996 HydrophobicContact CD2-CB 4.04Å; F978-L996 HydrophobicContact CE1-CB 4.45Å; F978-L996 HydrophobicContact CE1-CD1 3.73Å; F978-L996 HydrophobicContact CE2-CB 3.81Å; F978-L996 HydrophobicContact CE2-CD1 4.43Å; F978-L996 HydrophobicContact CG-CB 4.48Å; F978-L996 HydrophobicContact CZ-CB 4.04Å; F978-L996 HydrophobicContact CZ-CD1 3.8Å; F978-L996 HydrophobicContact CZ-CG 4.35Å; F978-I997 HydrophobicContact CB-CD1 3.95Å; F978-I997 HydrophobicContact CB-CG1 3.77Å; F978-I997 HydrophobicContact CD2-CG1 4.38Å |
| 979 | W | 92.1 | Very high | 85.9 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.9 | -41.1 | 174.6 | -179.7 | -104.7 | 0 | 0 | 0 | 113.4 | I975 K977 L981 L982 F1010 V1013 V1014 D1017 K1032 V1033 | I975-W979 WeakPolarHBondContact O-CB 3.03Å; I975-W979 PolarHBondContact O-N 3.48Å; K977-W979 PolarHBondContact O-N 2.98Å; W979-L981 VanDerWaalsContact C-N 3.27Å; W979-L981 PolarHBondContact O-N 3.44Å; W979-L982 HydrophobicContact CE3-CD1 3.87Å; W979-L982 HydrophobicContact CZ3-CD1 4.2Å; W979-F1010 AromaticContact CE3-CE2 3.98Å; W979-F1010 HydrophobicContact CE3-CE2 3.98Å; W979-F1010 AromaticContact CZ3-CE2 3.99Å; W979-F1010 HydrophobicContact CZ3-CE2 3.99Å; W979-F1010 HydrophobicContact CZ3-CZ 4.33Å; W979-V1013 HydrophobicContact CB-CG1 3.96Å; W979-V1013 HydrophobicContact CD2-CG1 3.99Å; W979-V1013 HydrophobicContact CG-CG1 3.43Å; W979-V1013 VanDerWaalsContact CG-CG1 3.43Å; W979-V1014 HydrophobicContact CE3-CG2 4.34Å; W979-V1014 HydrophobicContact CH2-CB 4.46Å; W979-V1014 HydrophobicContact CH2-CG2 3.69Å; W979-V1014 HydrophobicContact CZ2-CG2 4.13Å; W979-V1014 HydrophobicContact CZ3-CG2 3.8Å; W979-D1017 HydrophobicContact CZ2-CB 4.49Å; W979-D1017 PolarHBondContact NE1-OD2 2.85Å; W979-K1032 HydrophobicContact CD2-CD 4.01Å; W979-K1032 HydrophobicContact CE3-CB 4.49Å; W979-K1032 HydrophobicContact CG-CD 4.38Å; W979-K1032 HydrophobicContact CH2-CB 3.86Å; W979-K1032 HydrophobicContact CH2-CD 4.37Å; W979-K1032 HydrophobicContact CZ2-CB 4.05Å; W979-K1032 HydrophobicContact CZ2-CD 3.72Å; W979-K1032 HydrophobicContact CZ3-CB 4.1Å; W979-K1032 WeakPolarHBondContact O-CD 3.42Å; W979-K1032 VanDerWaalsContact O-CE 3.28Å; W979-K1032 WeakPolarHBondContact O-CE 3.38Å; W979-V1033 HydrophobicContact CH2-CG2 3.75Å; W979-V1033 HydrophobicContact CZ3-CG2 4.39Å |
| 980 | K | 86.8 | Confident | 86.2 | Confident | 102 Ų | 102 | 36.2 Ų | 36.2 | 44% | 0.443 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.8 | -28 | 174.9 | -70.1 | 169.7 | 176.8 | 175.1 | 0 | 113.5 | E930 S976 K977 Q983 | E930-K980 WeakPolarHBondContact OE1-CD 3.44Å; E930-K980 IonicContact OE1-NZ 2.72Å; E930-K980 PolarHBondContact OE1-NZ 3.1Å; S976-K980 WeakPolarHBondContact O-CG 3.47Å; S976-K980 PolarHBondContact O-N 3.15Å; K977-K980 PolarHBondContact O-N 3.36Å; K977-K980 VanDerWaalsContact O-N 3.17Å; K980-Q983 PolarHBondContact O-NE2 3.49Å |
| 981 | L | 88.7 | Confident | 86.4 | Confident | 14 Ų | 14 | 40.5 Ų | 40.5 | 7% | 0.073 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -87.5 | -10.9 | -177.1 | -68.9 | 167.5 | 0 | 0 | 0 | 113.9 | I929 K938 L942 K977 F978 W979 Q983 I989 | I929-L981 HydrophobicContact CD1-CD1 3.62Å; I929-L981 HydrophobicContact CG1-CD1 4.14Å; K938-L981 HydrophobicContact CD-CD2 4.04Å; L942-L981 HydrophobicContact CD1-CD1 4.32Å; L942-L981 HydrophobicContact CD2-CD1 4.37Å; K977-L981 VanDerWaalsContact O-CG 3.29Å; K977-L981 WeakPolarHBondContact O-CG 3.46Å; K977-L981 PolarHBondContact O-N 2.94Å; K977-L981 VanDerWaalsContact O-N 3.08Å; F978-L981 PolarHBondContact O-N 3.08Å; W979-L981 VanDerWaalsContact C-N 3.27Å; W979-L981 PolarHBondContact O-N 3.44Å; L981-Q983 PolarHBondContact O-N 3.28Å; L981-Q983 VanDerWaalsContact O-N 3.17Å; L981-I989 HydrophobicContact CB-CG2 4.28Å |
| 982 | L | 89.5 | Confident | 86.9 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | trans | -68.1 | 107.7 | 171.4 | -74.2 | 172.7 | 0 | 0 | 0 | 110.2 | F978 W979 C993 I997 K1032 L1036 | F978-L982 PolarHBondContact O-N 3.11Å; W979-L982 HydrophobicContact CE3-CD1 3.87Å; W979-L982 HydrophobicContact CZ3-CD1 4.2Å; L982-C993 HydrophobicContact CD2-CB 3.9Å; L982-C993 HydrophobicContact CG-CB 4.36Å; L982-I997 HydrophobicContact CD1-CD1 3.74Å; L982-I997 HydrophobicContact CG-CD1 4.27Å; L982-K1032 HydrophobicContact CB-CB 4.07Å; L982-K1032 HydrophobicContact CB-CG 3.93Å; L982-K1032 HydrophobicContact CD1-CB 4.4Å; L982-K1032 VanDerWaalsContact O-CG 3.3Å; L982-K1032 WeakPolarHBondContact O-CG 3.2Å; L982-L1036 HydrophobicContact CD1-CB 4.36Å; L982-L1036 HydrophobicContact CD1-CD1 4.15Å | ||
| 983 | Q | 85.1 | Confident | 87.4 | Confident | 71 Ų | 71 | 35.6 Ų | 35.6 | 33% | 0.332 | 18% | 0.177 | S | C | . | . | trans | -142.9 | 140.1 | -176.7 | -62.5 | -178 | 5.1 | 0 | 0 | 110.4 | K980 L981 Q985 Y986 S990 | K980-Q983 PolarHBondContact O-NE2 3.49Å; L981-Q983 PolarHBondContact O-N 3.28Å; L981-Q983 VanDerWaalsContact O-N 3.17Å; Q983-Q985 VanDerWaalsContact C-N 3.31Å; Q983-Q985 PolarHBondContact O-N 3.5Å; Q983-Y986 HydrophobicContact CB-CD2 4.43Å; Q983-Y986 PolarHBondContact O-N 3.35Å; Q983-S990 PolarHBondContact N-OG 2.93Å; Q983-S990 PolarHBondContact O-OG 3.15Å | ||
| 984 | S | 81.8 | Confident | 87.7 | Confident | 33 Ų | 33 | 35 Ų | 35 | 23% | 0.231 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -73.2 | -25.2 | -177.2 | 67.1 | 0 | 0 | 0 | 0 | 113.1 | Y986 E1031 R1076 | S984-Y986 VanDerWaalsContact C-N 3.29Å; S984-Y986 PolarHBondContact O-N 3.3Å; S984-E1031 WeakPolarHBondContact CB-OE1 3.44Å; S984-E1031 PolarHBondContact N-OE1 3.11Å; S984-E1031 PolarHBondContact OG-OE1 3.28Å; S984-E1031 PolarHBondContact OG-OE2 2.93Å; S984-R1076 PolarHBondContact OG-NH2 2.8Å |
| 985 | Q | 79.7 | Confident | 87.7 | Confident | 138 Ų | 138 | 36.4 Ų | 36.4 | 65% | 0.645 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -60.6 | -36.9 | 173.3 | -64.8 | 175.7 | -12.8 | 0 | 0 | 112 | Q983 | Q983-Q985 VanDerWaalsContact C-N 3.31Å; Q983-Q985 PolarHBondContact O-N 3.5Å |
| 986 | Y | 83.5 | Confident | 87.8 | Confident | 55 Ų | 55 | 36.4 Ų | 36.4 | 22% | 0.216 | 18% | 0.184 | C | C | . | . | trans | -118.6 | 72.9 | -173.2 | -53.8 | -64 | 0 | 0 | 0 | 111.1 | E740 P935 Q983 S984 Q988 I989 S990 | E740-Y986 PolarHBondContact OE2-OH 2.64Å; P935-Y986 HydrophobicContact CB-CD1 3.47Å; P935-Y986 VanDerWaalsContact CB-CD1 3.47Å; P935-Y986 HydrophobicContact CB-CD2 4.14Å; P935-Y986 HydrophobicContact CB-CE1 3.43Å; P935-Y986 VanDerWaalsContact CB-CE1 3.43Å; P935-Y986 HydrophobicContact CB-CE2 4.1Å; P935-Y986 HydrophobicContact CB-CG 3.84Å; P935-Y986 HydrophobicContact CG-CD1 3.94Å; P935-Y986 HydrophobicContact CG-CE1 3.41Å; P935-Y986 VanDerWaalsContact CG-CE1 3.41Å; Q983-Y986 HydrophobicContact CB-CD2 4.43Å; Q983-Y986 PolarHBondContact O-N 3.35Å; S984-Y986 VanDerWaalsContact C-N 3.29Å; S984-Y986 PolarHBondContact O-N 3.3Å; Y986-Q988 VanDerWaalsContact C-N 3.26Å; Y986-Q988 PolarHBondContact O-N 2.75Å; Y986-I989 HydrophobicContact CG-CD1 4.04Å; Y986-I989 PolarHBondContact O-N 3.24Å; Y986-S990 PolarHBondContact O-N 2.97Å; Y986-S990 VanDerWaalsContact O-N 3.11Å; Y986-S990 PolarHBondContact O-OG 3.22Å | ||
| 987 | S | 85 | Confident | 87.9 | Confident | 57 Ų | 57 | 35 Ų | 35 | 40% | 0.399 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -57.5 | -36.2 | -175.5 | 64.2 | 0 | 0 | 0 | 0 | 113.5 | S990 E991 F1039 | S987-S990 PolarHBondContact O-N 2.82Å; S987-E991 PolarHBondContact O-N 3.4Å; S987-F1039 WeakPolarHBondContact O-CZ 3.27Å |
| 988 | Q | 83.9 | Confident | 87.9 | Confident | 100 Ų | 100 | 34.3 Ų | 34.3 | 47% | 0.467 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -69.4 | -40.6 | -180 | -58.3 | 178.1 | 10.2 | 0 | 0 | 112.9 | Y939 Y986 S990 V992 | Y939-Q988 HydrophobicContact CD2-CB 3.9Å; Y939-Q988 HydrophobicContact CE2-CB 3.73Å; Y986-Q988 VanDerWaalsContact C-N 3.26Å; Y986-Q988 PolarHBondContact O-N 2.75Å; Q988-S990 VanDerWaalsContact C-N 3.31Å; Q988-V992 PolarHBondContact O-N 2.93Å |
| 989 | I | 89.5 | Confident | 87.6 | Confident | 7 Ų | 7 | 35.1 Ų | 35.1 | 4% | 0.036 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.6 | -49.1 | 170.9 | -67.2 | -180 | 0 | 0 | 0 | 109 | P935 K938 Y939 L942 L981 Y986 E991 V992 C993 | P935-I989 HydrophobicContact CB-CD1 3.81Å; P935-I989 VanDerWaalsContact O-CD1 3.28Å; P935-I989 WeakPolarHBondContact O-CD1 3.33Å; K938-I989 HydrophobicContact CB-CD1 4.12Å; Y939-I989 HydrophobicContact CD2-CG1 4.46Å; L942-I989 HydrophobicContact CD1-CG2 3.67Å; L981-I989 HydrophobicContact CB-CG2 4.28Å; Y986-I989 HydrophobicContact CG-CD1 4.04Å; Y986-I989 PolarHBondContact O-N 3.24Å; I989-E991 PolarHBondContact O-N 3.04Å; I989-V992 PolarHBondContact O-N 3.42Å; I989-V992 VanDerWaalsContact O-N 3.16Å; I989-C993 PolarHBondContact O-N 3.42Å; I989-C993 PolarHBondContact O-SG 2.83Å |
| 990 | S | 88.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.1 | -30.5 | -174.6 | -60 | 0 | 0 | 0 | 0 | 113.7 | Q983 Y986 S987 Q988 T994 | Q983-S990 PolarHBondContact N-OG 2.93Å; Q983-S990 PolarHBondContact O-OG 3.15Å; Y986-S990 PolarHBondContact O-N 2.97Å; Y986-S990 VanDerWaalsContact O-N 3.11Å; Y986-S990 PolarHBondContact O-OG 3.22Å; S987-S990 PolarHBondContact O-N 2.82Å; Q988-S990 VanDerWaalsContact C-N 3.31Å; S990-T994 VanDerWaalsContact O-CB 3.31Å; S990-T994 WeakPolarHBondContact O-CB 3.47Å; S990-T994 PolarHBondContact O-N 3.44Å; S990-T994 PolarHBondContact O-OG1 3.24Å |
| 991 | E | 90 | Very high | 87.4 | Confident | 91 Ų | 91 | 30.2 Ų | 30.2 | 43% | 0.425 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -59.4 | -49.9 | 168.9 | -174.6 | 179.9 | 156.3 | 0 | 0 | 110.9 | S987 I989 T994 C995 F1039 | S987-E991 PolarHBondContact O-N 3.4Å; I989-E991 PolarHBondContact O-N 3.04Å; E991-T994 PolarHBondContact O-N 3.29Å; E991-C995 PolarHBondContact O-N 2.9Å; E991-C995 VanDerWaalsContact O-N 3.12Å; E991-C995 PolarHBondContact O-SG 2.96Å; E991-F1039 HydrophobicContact CB-CD1 3.77Å; E991-F1039 HydrophobicContact CB-CD2 4.34Å; E991-F1039 HydrophobicContact CB-CE1 3.67Å; E991-F1039 HydrophobicContact CB-CE2 4.26Å; E991-F1039 HydrophobicContact CB-CG 4.11Å; E991-F1039 HydrophobicContact CB-CZ 3.93Å; E991-F1039 HydrophobicContact CG-CD1 3.63Å; E991-F1039 HydrophobicContact CG-CE1 3.87Å; E991-F1039 HydrophobicContact CG-CG 4.19Å |
| 992 | V | 90.2 | Very high | 87 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.024 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.3 | -44.4 | 178.6 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | Y939 L942 K946 Q988 I989 T994 C995 L996 | Y939-V992 HydrophobicContact CE2-CG2 4.04Å; L942-V992 HydrophobicContact CB-CG1 3.81Å; K946-V992 HydrophobicContact CB-CG1 4.03Å; K946-V992 HydrophobicContact CD-CG1 4.08Å; K946-V992 HydrophobicContact CD-CG2 4.33Å; K946-V992 HydrophobicContact CG-CG1 4.48Å; Q988-V992 PolarHBondContact O-N 2.93Å; I989-V992 PolarHBondContact O-N 3.42Å; I989-V992 VanDerWaalsContact O-N 3.16Å; V992-T994 VanDerWaalsContact C-N 3.31Å; V992-T994 PolarHBondContact O-N 3Å; V992-C995 PolarHBondContact O-N 3.42Å; V992-L996 HydrophobicContact CG1-CD1 3.92Å; V992-L996 WeakPolarHBondContact O-CG 3.44Å; V992-L996 PolarHBondContact O-N 3.27Å |
| 993 | C | 92.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.8 | -38.3 | 174.6 | -72.4 | 0 | 0 | 0 | 0 | 112.2 | F978 L982 I989 L996 I997 | F978-C993 HydrophobicContact CB-CB 4.47Å; L982-C993 HydrophobicContact CD2-CB 3.9Å; L982-C993 HydrophobicContact CG-CB 4.36Å; I989-C993 PolarHBondContact O-N 3.42Å; I989-C993 PolarHBondContact O-SG 2.83Å; C993-L996 PolarHBondContact O-N 2.93Å; C993-I997 WeakPolarHBondContact O-CB 3.02Å; C993-I997 VanDerWaalsContact O-CG1 3.25Å; C993-I997 WeakPolarHBondContact O-CG1 3.22Å; C993-I997 PolarHBondContact O-N 3.36Å |
| 994 | T | 89.5 | Confident | 86.1 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64 | -44.9 | 177.6 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | S990 E991 V992 L996 I997 F998 L1036 F1039 | S990-T994 VanDerWaalsContact O-CB 3.31Å; S990-T994 WeakPolarHBondContact O-CB 3.47Å; S990-T994 PolarHBondContact O-N 3.44Å; S990-T994 PolarHBondContact O-OG1 3.24Å; E991-T994 PolarHBondContact O-N 3.29Å; V992-T994 VanDerWaalsContact C-N 3.31Å; V992-T994 PolarHBondContact O-N 3Å; T994-L996 VanDerWaalsContact C-N 3.35Å; T994-L996 PolarHBondContact O-N 3.45Å; T994-I997 PolarHBondContact O-N 3.28Å; T994-F998 HydrophobicContact CG2-CD2 3.93Å; T994-F998 HydrophobicContact CG2-CE2 3.38Å; T994-F998 HydrophobicContact CG2-CZ 3.86Å; T994-F998 WeakPolarHBondContact O-CD2 3.34Å; T994-F998 PolarHBondContact O-N 3.04Å; T994-L1036 HydrophobicContact CG2-CG 4.27Å; T994-F1039 HydrophobicContact CG2-CB 3.98Å |
| 995 | C | 88.4 | Confident | 85.7 | Confident | 33 Ų | 33 | 32.4 Ų | 32.4 | 22% | 0.223 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59 | -44.3 | 173.1 | -63.5 | 0 | 0 | 0 | 0 | 112.4 | E991 V992 F998 H999 | E991-C995 PolarHBondContact O-N 2.9Å; E991-C995 VanDerWaalsContact O-N 3.12Å; E991-C995 PolarHBondContact O-SG 2.96Å; V992-C995 PolarHBondContact O-N 3.42Å; C995-F998 PolarHBondContact O-N 3.41Å; C995-H999 PolarHBondContact O-N 3.14Å |
| 996 | L | 90.1 | Very high | 85.8 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.7 | -39.2 | -179.8 | -72.8 | 169.6 | 0 | 0 | 0 | 112.2 | L942 V945 C949 F978 V992 C993 T994 H999 C1000 | L942-L996 HydrophobicContact CD2-CD1 4.19Å; V945-L996 HydrophobicContact CG1-CD1 4.17Å; V945-L996 HydrophobicContact CG1-CD2 4.37Å; C949-L996 HydrophobicContact CB-CD2 4.16Å; F978-L996 HydrophobicContact CD1-CD1 4.33Å; F978-L996 HydrophobicContact CD2-CB 4.04Å; F978-L996 HydrophobicContact CE1-CB 4.45Å; F978-L996 HydrophobicContact CE1-CD1 3.73Å; F978-L996 HydrophobicContact CE2-CB 3.81Å; F978-L996 HydrophobicContact CE2-CD1 4.43Å; F978-L996 HydrophobicContact CG-CB 4.48Å; F978-L996 HydrophobicContact CZ-CB 4.04Å; F978-L996 HydrophobicContact CZ-CD1 3.8Å; F978-L996 HydrophobicContact CZ-CG 4.35Å; V992-L996 HydrophobicContact CG1-CD1 3.92Å; V992-L996 WeakPolarHBondContact O-CG 3.44Å; V992-L996 PolarHBondContact O-N 3.27Å; C993-L996 PolarHBondContact O-N 2.93Å; T994-L996 VanDerWaalsContact C-N 3.35Å; T994-L996 PolarHBondContact O-N 3.45Å; L996-H999 PolarHBondContact O-N 3.2Å; L996-C1000 PolarHBondContact O-N 3.19Å; L996-C1000 PolarHBondContact O-SG 3.17Å |
| 997 | I | 90.4 | Very high | 85.7 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.1 | -46.2 | 175.2 | -71.7 | 165.1 | 0 | 0 | 0 | 110.7 | F978 L982 C993 T994 H999 C1000 L1001 F1010 | F978-I997 HydrophobicContact CB-CD1 3.95Å; F978-I997 HydrophobicContact CB-CG1 3.77Å; F978-I997 HydrophobicContact CD2-CG1 4.38Å; L982-I997 HydrophobicContact CD1-CD1 3.74Å; L982-I997 HydrophobicContact CG-CD1 4.27Å; C993-I997 WeakPolarHBondContact O-CB 3.02Å; C993-I997 VanDerWaalsContact O-CG1 3.25Å; C993-I997 WeakPolarHBondContact O-CG1 3.22Å; C993-I997 PolarHBondContact O-N 3.36Å; T994-I997 PolarHBondContact O-N 3.28Å; I997-H999 VanDerWaalsContact C-N 3.31Å; I997-H999 PolarHBondContact O-N 2.92Å; I997-C1000 CarbonylContact O-C 3.49Å; I997-C1000 PolarHBondContact O-N 2.59Å; I997-C1000 VanDerWaalsContact O-N 3.12Å; I997-L1001 HydrophobicContact CG2-CD1 4.28Å; I997-L1001 HydrophobicContact CG2-CG 4.34Å; I997-L1001 WeakPolarHBondContact O-CG 3.5Å; I997-L1001 PolarHBondContact O-N 3.2Å; I997-F1010 HydrophobicContact CG2-CD2 3.92Å; I997-F1010 HydrophobicContact CG2-CE2 3.83Å |
| 998 | F | 87.6 | Confident | 85.4 | Confident | 5 Ų | 5 | 25.3 Ų | 25.3 | 2% | 0.022 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.5 | -37.3 | 176.4 | -67.7 | -35.5 | 0 | 0 | 0 | 112.6 | T994 C995 L1001 S1002 L1036 I1040 I1044 I1051 V1055 | T994-F998 HydrophobicContact CG2-CD2 3.93Å; T994-F998 HydrophobicContact CG2-CE2 3.38Å; T994-F998 HydrophobicContact CG2-CZ 3.86Å; T994-F998 WeakPolarHBondContact O-CD2 3.34Å; T994-F998 PolarHBondContact O-N 3.04Å; C995-F998 PolarHBondContact O-N 3.41Å; F998-L1001 HydrophobicContact CD1-CD1 4.14Å; F998-L1001 PolarHBondContact O-N 3.13Å; F998-S1002 PolarHBondContact O-N 3.22Å; F998-L1036 HydrophobicContact CE1-CD2 4.26Å; F998-L1036 HydrophobicContact CZ-CD2 4Å; F998-I1040 HydrophobicContact CE2-CG1 4.45Å; F998-I1040 HydrophobicContact CZ-CG1 3.99Å; F998-I1044 HydrophobicContact CB-CG2 4.17Å; F998-I1044 HydrophobicContact CD2-CD1 4.45Å; F998-I1044 HydrophobicContact CD2-CG2 4.49Å; F998-I1044 HydrophobicContact CG-CG2 4.34Å; F998-I1051 HydrophobicContact CD1-CG2 4.06Å; F998-I1051 HydrophobicContact CE1-CG2 4.34Å; F998-V1055 HydrophobicContact CE1-CG2 3.77Å; F998-V1055 HydrophobicContact CZ-CG2 4.48Å |
| 999 | H | 86.7 | Confident | 85.4 | Confident | 18 Ų | 18 | 20.8 Ų | 20.8 | 8% | 0.083 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.5 | -45.8 | 170.7 | -179.4 | 53.4 | 0 | 0 | 0 | 111.7 | L950 C995 L996 I997 L1001 S1002 | L950-H999 HydrophobicContact CD2-CB 4.13Å; C995-H999 PolarHBondContact O-N 3.14Å; L996-H999 PolarHBondContact O-N 3.2Å; I997-H999 VanDerWaalsContact C-N 3.31Å; I997-H999 PolarHBondContact O-N 2.92Å; H999-L1001 VanDerWaalsContact C-N 3.34Å; H999-L1001 PolarHBondContact O-N 2.98Å; H999-S1002 PolarHBondContact O-N 3.23Å; H999-S1002 VanDerWaalsContact O-N 3.17Å; H999-S1002 PolarHBondContact O-OG 3.45Å |
| 1000 | C | 87.6 | Confident | 85.4 | Confident | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.007 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.1 | -34.8 | 176.1 | -68.5 | 0 | 0 | 0 | 0 | 113.6 | Q970 I975 L996 I997 S1002 L1003 | Q970-C1000 PolarHBondContact NE2-O 3.13Å; Q970-C1000 VanDerWaalsContact NE2-O 3.16Å; I975-C1000 HydrophobicContact CD1-CB 3.92Å; I975-C1000 HydrophobicContact CG1-CB 3.73Å; L996-C1000 PolarHBondContact O-N 3.19Å; L996-C1000 PolarHBondContact O-SG 3.17Å; I997-C1000 CarbonylContact O-C 3.49Å; I997-C1000 PolarHBondContact O-N 2.59Å; I997-C1000 VanDerWaalsContact O-N 3.12Å; C1000-S1002 VanDerWaalsContact C-N 3.27Å; C1000-S1002 PolarHBondContact O-N 2.89Å; C1000-L1003 PolarHBondContact O-N 3.05Å |
| 1001 | L | 86.1 | Confident | 85.1 | Confident | 3 Ų | 3 | 21.4 Ų | 21.4 | 2% | 0.016 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.3 | -26.7 | 175.3 | -72.7 | 179.6 | 0 | 0 | 0 | 113.3 | I997 F998 H999 L1003 A1007 F1010 I1051 A1054 | I997-L1001 HydrophobicContact CG2-CD1 4.28Å; I997-L1001 HydrophobicContact CG2-CG 4.34Å; I997-L1001 WeakPolarHBondContact O-CG 3.5Å; I997-L1001 PolarHBondContact O-N 3.2Å; F998-L1001 HydrophobicContact CD1-CD1 4.14Å; F998-L1001 PolarHBondContact O-N 3.13Å; H999-L1001 VanDerWaalsContact C-N 3.34Å; H999-L1001 PolarHBondContact O-N 2.98Å; L1001-L1003 VanDerWaalsContact C-N 3.28Å; L1001-A1007 HydrophobicContact CD2-CB 4.12Å; L1001-F1010 HydrophobicContact CD1-CD1 4.42Å; L1001-F1010 HydrophobicContact CD2-CB 3.55Å; L1001-F1010 HydrophobicContact CD2-CD1 3.94Å; L1001-F1010 HydrophobicContact CD2-CG 3.82Å; L1001-I1051 HydrophobicContact CB-CG1 3.99Å; L1001-A1054 HydrophobicContact CD1-CB 4.16Å; L1001-A1054 HydrophobicContact CD2-CB 4.29Å |
| 1002 | S | 80.9 | Confident | 84.8 | Confident | 50 Ų | 50 | 18.5 Ų | 18.5 | 35% | 0.35 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -10.7 | 174.5 | 72.2 | 0 | 0 | 0 | 0 | 114.1 | F998 H999 C1000 | F998-S1002 PolarHBondContact O-N 3.22Å; H999-S1002 PolarHBondContact O-N 3.23Å; H999-S1002 VanDerWaalsContact O-N 3.17Å; H999-S1002 PolarHBondContact O-OG 3.45Å; C1000-S1002 VanDerWaalsContact C-N 3.27Å; C1000-S1002 PolarHBondContact O-N 2.89Å |
| 1003 | L | 82.8 | Confident | 84.6 | Confident | 12 Ų | 12 | 19.6 Ų | 19.6 | 6% | 0.063 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -98.1 | 145.6 | -178.5 | -67.3 | 170.8 | 0 | 0 | 0 | 111 | L955 L966 Q970 C1000 L1001 G1005 G1006 | L955-L1003 HydrophobicContact CB-CD1 4.15Å; L966-L1003 HydrophobicContact CD1-CD1 4.36Å; Q970-L1003 VanDerWaalsContact NE2-CB 3.26Å; C1000-L1003 PolarHBondContact O-N 3.05Å; L1001-L1003 VanDerWaalsContact C-N 3.28Å; L1003-G1005 PolarHBondContact O-N 2.94Å; L1003-G1006 PolarHBondContact O-N 2.99Å |
| 1004 | P | 72.2 | Confident | 84.4 | Confident | 77 Ų | 77 | 19.6 Ų | 19.6 | 50% | 0.5 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 125 | -171.5 | 17.3 | -26.8 | 0 | 0 | 0 | 113.2 | Q970 | Q970-P1004 PolarHBondContact OE1-O 3.47Š|
| 1005 | G | 74.3 | Confident | 84.1 | Confident | 27 Ų | 27 | 19.7 Ų | 19.7 | 28% | 0.278 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | -19.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1003 A1007 D1008 V1009 | L1003-G1005 PolarHBondContact O-N 2.94Å; G1005-A1007 VanDerWaalsContact C-N 3.32Å; G1005-A1007 PolarHBondContact O-N 3.24Å; G1005-D1008 PolarHBondContact O-N 3.28Å; G1005-D1008 VanDerWaalsContact O-N 3.14Å; G1005-V1009 PolarHBondContact O-N 3.39Å |
| 1006 | G | 81.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.9 | -35.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I975 L1003 D1008 V1009 F1010 | I975-G1006 VanDerWaalsContact CD1-O 3.27Å; I975-G1006 WeakPolarHBondContact CD1-O 3.46Å; L1003-G1006 PolarHBondContact O-N 2.99Å; G1006-D1008 PolarHBondContact O-N 2.95Å; G1006-V1009 PolarHBondContact O-N 3.4Å; G1006-F1010 WeakPolarHBondContact O-CB 3.38Å; G1006-F1010 PolarHBondContact O-N 3.04Å |
| 1007 | A | 81.4 | Confident | 83.8 | Confident | 22 Ų | 22 | 23.2 Ų | 23.2 | 18% | 0.182 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.6 | -36.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1001 G1005 W1011 I1050 | L1001-A1007 HydrophobicContact CD2-CB 4.12Å; G1005-A1007 VanDerWaalsContact C-N 3.32Å; G1005-A1007 PolarHBondContact O-N 3.24Å; A1007-W1011 VanDerWaalsContact O-CB 3.26Å; A1007-W1011 WeakPolarHBondContact O-CB 3.46Å; A1007-W1011 PolarHBondContact O-N 3.23Å; A1007-I1050 HydrophobicContact CB-CG2 3.36Å |
| 1008 | D | 79 | Confident | 83.6 | Confident | 78 Ų | 78 | 24 Ų | 24 | 42% | 0.417 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -71 | -37.5 | 176.6 | -71.2 | -54.4 | 0 | 0 | 0 | 112 | G1005 G1006 S1012 R1185 | G1005-D1008 PolarHBondContact O-N 3.28Å; G1005-D1008 VanDerWaalsContact O-N 3.14Å; G1006-D1008 PolarHBondContact O-N 2.95Å; D1008-S1012 WeakPolarHBondContact O-CB 2.97Å; D1008-S1012 PolarHBondContact O-N 3.48Å; D1008-S1012 PolarHBondContact O-OG 3.27Å; D1008-R1185 IonicContact OD1-CZ 2.8Å; D1008-R1185 IonicContact OD1-NE 2.61Å; D1008-R1185 PolarHBondContact OD1-NE 2.93Å; D1008-R1185 IonicContact OD1-NH2 2.69Å; D1008-R1185 PolarHBondContact OD1-NH2 3.26Å |
| 1009 | V | 84 | Confident | 83.4 | Confident | 6 Ų | 6 | 25.8 Ų | 25.8 | 4% | 0.036 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.4 | -53.9 | 173.9 | -179.2 | 0 | 0 | 0 | 0 | 110 | E971 I975 G1005 G1006 W1011 S1012 V1013 | E971-V1009 HydrophobicContact CB-CG2 4.42Å; E971-V1009 HydrophobicContact CG-CG2 3.6Å; I975-V1009 HydrophobicContact CB-CG1 3.95Å; I975-V1009 HydrophobicContact CD1-CB 3.87Å; I975-V1009 HydrophobicContact CD1-CG1 4.07Å; I975-V1009 HydrophobicContact CG2-CG1 4.03Å; G1005-V1009 PolarHBondContact O-N 3.39Å; G1006-V1009 PolarHBondContact O-N 3.4Å; V1009-W1011 VanDerWaalsContact C-N 3.34Å; V1009-W1011 PolarHBondContact O-N 3.47Å; V1009-S1012 PolarHBondContact O-N 3.24Å; V1009-S1012 VanDerWaalsContact O-N 3.1Å; V1009-S1012 PolarHBondContact O-OG 3.09Å; V1009-V1013 HydrophobicContact CG1-CG2 4.43Å; V1009-V1013 WeakPolarHBondContact O-CG2 3.26Å; V1009-V1013 PolarHBondContact O-N 3.15Å |
| 1010 | F | 89.3 | Confident | 83.2 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.2 | -47.2 | 178.8 | 179.6 | -102.8 | 0 | 0 | 0 | 111.7 | I975 W979 I997 L1001 G1006 S1012 V1013 V1014 L1036 A1054 A1058 | I975-F1010 HydrophobicContact CG2-CB 4.06Å; I975-F1010 HydrophobicContact CG2-CD2 4.24Å; W979-F1010 AromaticContact CE3-CE2 3.98Å; W979-F1010 HydrophobicContact CE3-CE2 3.98Å; W979-F1010 AromaticContact CZ3-CE2 3.99Å; W979-F1010 HydrophobicContact CZ3-CE2 3.99Å; W979-F1010 HydrophobicContact CZ3-CZ 4.33Å; I997-F1010 HydrophobicContact CG2-CD2 3.92Å; I997-F1010 HydrophobicContact CG2-CE2 3.83Å; L1001-F1010 HydrophobicContact CD1-CD1 4.42Å; L1001-F1010 HydrophobicContact CD2-CB 3.55Å; L1001-F1010 HydrophobicContact CD2-CD1 3.94Å; L1001-F1010 HydrophobicContact CD2-CG 3.82Å; G1006-F1010 WeakPolarHBondContact O-CB 3.38Å; G1006-F1010 PolarHBondContact O-N 3.04Å; F1010-S1012 VanDerWaalsContact C-N 3.34Å; F1010-S1012 PolarHBondContact O-N 3.29Å; F1010-V1013 PolarHBondContact O-N 2.9Å; F1010-V1014 HydrophobicContact CD1-CG2 4.08Å; F1010-V1014 HydrophobicContact CD2-CG2 4.16Å; F1010-V1014 HydrophobicContact CE1-CG2 3.75Å; F1010-V1014 HydrophobicContact CE2-CG2 3.83Å; F1010-V1014 HydrophobicContact CG-CG2 4.29Å; F1010-V1014 HydrophobicContact CZ-CG2 3.62Å; F1010-V1014 VanDerWaalsContact O-CG2 3.28Å; F1010-V1014 WeakPolarHBondContact O-CG2 3.06Å; F1010-V1014 PolarHBondContact O-N 3.4Å; F1010-L1036 HydrophobicContact CE2-CD1 4.17Å; F1010-L1036 HydrophobicContact CZ-CD1 4.03Å; F1010-A1054 HydrophobicContact CD1-CB 4.17Å; F1010-A1054 HydrophobicContact CE1-CB 4.36Å; F1010-A1058 HydrophobicContact CE1-CB 4.48Å |
| 1011 | W | 82.8 | Confident | 82.8 | Confident | 16 Ų | 16 | 33 Ų | 33 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.6 | -47.4 | 174.7 | 173.9 | -106.5 | 0 | 0 | 0 | 112.5 | A1007 V1009 V1013 V1014 S1015 N1057 F1061 I1187 H1190 | A1007-W1011 VanDerWaalsContact O-CB 3.26Å; A1007-W1011 WeakPolarHBondContact O-CB 3.46Å; A1007-W1011 PolarHBondContact O-N 3.23Å; V1009-W1011 VanDerWaalsContact C-N 3.34Å; V1009-W1011 PolarHBondContact O-N 3.47Å; W1011-V1013 VanDerWaalsContact C-N 3.31Å; W1011-V1013 PolarHBondContact O-N 2.79Å; W1011-V1014 PolarHBondContact O-N 3.3Å; W1011-S1015 WeakPolarHBondContact O-CB 3.42Å; W1011-S1015 PolarHBondContact O-N 3.05Å; W1011-N1057 HydrophobicContact CE3-CB 4.04Å; W1011-N1057 HydrophobicContact CH2-CB 4.32Å; W1011-N1057 HydrophobicContact CZ3-CB 3.49Å; W1011-N1057 VanDerWaalsContact CZ3-CB 3.49Å; W1011-F1061 AromaticContact CH2-CE2 3.6Å; W1011-F1061 HydrophobicContact CH2-CE2 3.6Å; W1011-F1061 HydrophobicContact CH2-CZ 4.06Å; W1011-F1061 HydrophobicContact CZ3-CD2 4.4Å; W1011-F1061 AromaticContact CZ3-CE2 3.62Å; W1011-F1061 HydrophobicContact CZ3-CE2 3.62Å; W1011-I1187 HydrophobicContact CH2-CB 4.34Å; W1011-I1187 HydrophobicContact CH2-CG1 3.91Å; W1011-I1187 HydrophobicContact CH2-CG2 4.22Å; W1011-I1187 HydrophobicContact CZ3-CG1 4.4Å; W1011-H1190 HydrophobicContact CZ2-CB 4.14Å; W1011-H1190 AromaticContact CZ2-CD2 3.74Å |
| 1012 | S | 82.2 | Confident | 82.8 | Confident | 30 Ų | 30 | 36.1 Ų | 36.1 | 21% | 0.21 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.6 | -33.3 | -178.9 | 70.1 | 0 | 0 | 0 | 0 | 113.2 | R904 D1008 V1009 F1010 S1016 | R904-S1012 PolarHBondContact NH1-OG 2.86Å; R904-S1012 PolarHBondContact NH2-OG 2.93Å; R904-S1012 VanDerWaalsContact NH2-OG 3.15Å; D1008-S1012 WeakPolarHBondContact O-CB 2.97Å; D1008-S1012 PolarHBondContact O-N 3.48Å; D1008-S1012 PolarHBondContact O-OG 3.27Å; V1009-S1012 PolarHBondContact O-N 3.24Å; V1009-S1012 VanDerWaalsContact O-N 3.1Å; V1009-S1012 PolarHBondContact O-OG 3.09Å; F1010-S1012 VanDerWaalsContact C-N 3.34Å; F1010-S1012 PolarHBondContact O-N 3.29Å; S1012-S1016 WeakPolarHBondContact O-CB 3.37Å; S1012-S1016 PolarHBondContact O-N 3.21Å |
| 1013 | V | 86.5 | Confident | 82.9 | Confident | 26 Ų | 26 | 38.8 Ų | 38.8 | 16% | 0.158 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73 | -49.2 | 176.8 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | W979 V1009 F1010 W1011 S1015 S1016 D1017 | W979-V1013 HydrophobicContact CB-CG1 3.96Å; W979-V1013 HydrophobicContact CD2-CG1 3.99Å; W979-V1013 HydrophobicContact CG-CG1 3.43Å; W979-V1013 VanDerWaalsContact CG-CG1 3.43Å; V1009-V1013 HydrophobicContact CG1-CG2 4.43Å; V1009-V1013 WeakPolarHBondContact O-CG2 3.26Å; V1009-V1013 PolarHBondContact O-N 3.15Å; F1010-V1013 PolarHBondContact O-N 2.9Å; W1011-V1013 VanDerWaalsContact C-N 3.31Å; W1011-V1013 PolarHBondContact O-N 2.79Å; V1013-S1015 PolarHBondContact O-N 3.28Å; V1013-S1016 PolarHBondContact O-N 2.91Å; V1013-D1017 PolarHBondContact O-N 3.44Å; V1013-D1017 VanDerWaalsContact O-N 3.14Å |
| 1014 | V | 88 | Confident | 83.1 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.2 | -50.4 | 177.7 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | W979 F1010 W1011 S1016 D1017 F1018 A1058 F1061 | W979-V1014 HydrophobicContact CE3-CG2 4.34Å; W979-V1014 HydrophobicContact CH2-CB 4.46Å; W979-V1014 HydrophobicContact CH2-CG2 3.69Å; W979-V1014 HydrophobicContact CZ2-CG2 4.13Å; W979-V1014 HydrophobicContact CZ3-CG2 3.8Å; F1010-V1014 HydrophobicContact CD1-CG2 4.08Å; F1010-V1014 HydrophobicContact CD2-CG2 4.16Å; F1010-V1014 HydrophobicContact CE1-CG2 3.75Å; F1010-V1014 HydrophobicContact CE2-CG2 3.83Å; F1010-V1014 HydrophobicContact CG-CG2 4.29Å; F1010-V1014 HydrophobicContact CZ-CG2 3.62Å; F1010-V1014 VanDerWaalsContact O-CG2 3.28Å; F1010-V1014 WeakPolarHBondContact O-CG2 3.06Å; F1010-V1014 PolarHBondContact O-N 3.4Å; W1011-V1014 PolarHBondContact O-N 3.3Å; V1014-S1016 PolarHBondContact O-N 3.06Å; V1014-D1017 PolarHBondContact O-N 3.13Å; V1014-F1018 HydrophobicContact CG1-CD2 3.85Å; V1014-F1018 HydrophobicContact CG1-CE2 4.07Å; V1014-F1018 WeakPolarHBondContact O-CD2 3.28Å; V1014-F1018 PolarHBondContact O-N 2.85Å; V1014-F1018 VanDerWaalsContact O-N 3.11Å; V1014-A1058 HydrophobicContact CG1-CB 4.32Å; V1014-F1061 HydrophobicContact CG1-CD2 3.95Å; V1014-F1061 HydrophobicContact CG1-CE2 4.29Å |
| 1015 | S | 83.1 | Confident | 83.9 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | -178.1 | -160.7 | 0 | 0 | 0 | 0 | 111.6 | W1011 V1013 D1017 F1018 T1019 H1190 | W1011-S1015 WeakPolarHBondContact O-CB 3.42Å; W1011-S1015 PolarHBondContact O-N 3.05Å; V1013-S1015 PolarHBondContact O-N 3.28Å; S1015-D1017 VanDerWaalsContact C-N 3.32Å; S1015-D1017 PolarHBondContact O-N 3.46Å; S1015-F1018 PolarHBondContact O-N 3.03Å; S1015-T1019 WeakPolarHBondContact O-CG2 3.01Å; S1015-T1019 PolarHBondContact O-N 3.49Å; S1015-T1019 PolarHBondContact O-OG1 3.39Å; S1015-H1190 PolarHBondContact OG-CD2 2.97Å; S1015-H1190 PolarHBondContact OG-NE2 3.45Å |
| 1016 | S | 84.3 | Confident | 84.6 | Confident | 76 Ų | 76 | 40 Ų | 40 | 53% | 0.531 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.1 | -38.3 | 178.5 | -173.9 | 0 | 0 | 0 | 0 | 113.5 | S1012 V1013 V1014 S1020 | S1012-S1016 WeakPolarHBondContact O-CB 3.37Å; S1012-S1016 PolarHBondContact O-N 3.21Å; V1013-S1016 PolarHBondContact O-N 2.91Å; V1014-S1016 PolarHBondContact O-N 3.06Å; S1016-S1020 PolarHBondContact O-N 3.27Å |
| 1017 | D | 88.6 | Confident | 85 | Confident | 32 Ų | 32 | 43.1 Ų | 43.1 | 17% | 0.171 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -73.6 | -42 | 178.6 | -89.4 | 20.9 | 0 | 0 | 0 | 111.4 | W979 V1013 V1014 S1015 S1020 R1026 A1029 K1032 | W979-D1017 HydrophobicContact CZ2-CB 4.49Å; W979-D1017 PolarHBondContact NE1-OD2 2.85Å; V1013-D1017 PolarHBondContact O-N 3.44Å; V1013-D1017 VanDerWaalsContact O-N 3.14Å; V1014-D1017 PolarHBondContact O-N 3.13Å; S1015-D1017 VanDerWaalsContact C-N 3.32Å; S1015-D1017 PolarHBondContact O-N 3.46Å; D1017-S1020 WeakPolarHBondContact O-CB 3.35Å; D1017-R1026 WeakPolarHBondContact O-CG 3.19Å; D1017-A1029 HydrophobicContact CB-CB 3.88Å; D1017-K1032 IonicContact OD2-NZ 3.81Å; D1017-K1032 PolarHBondContact OD2-NZ 3.44Å |
| 1018 | F | 87.4 | Confident | 85.4 | Confident | 16 Ų | 16 | 44.3 Ų | 44.3 | 7% | 0.07 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -76.2 | -26.8 | -179.8 | -83.2 | -79.1 | 0 | 0 | 0 | 114.6 | V1014 S1015 R1026 A1029 V1030 V1033 F1061 | V1014-F1018 HydrophobicContact CG1-CD2 3.85Å; V1014-F1018 HydrophobicContact CG1-CE2 4.07Å; V1014-F1018 WeakPolarHBondContact O-CD2 3.28Å; V1014-F1018 PolarHBondContact O-N 2.85Å; V1014-F1018 VanDerWaalsContact O-N 3.11Å; S1015-F1018 PolarHBondContact O-N 3.03Å; F1018-R1026 VanDerWaalsContact O-CD 3.29Å; F1018-R1026 WeakPolarHBondContact O-CD 3.34Å; F1018-R1026 WeakPolarHBondContact O-CG 2.83Å; F1018-A1029 HydrophobicContact CD1-CB 3.92Å; F1018-A1029 HydrophobicContact CD2-CB 3.72Å; F1018-A1029 HydrophobicContact CE1-CB 3.83Å; F1018-A1029 HydrophobicContact CE2-CB 3.6Å; F1018-A1029 HydrophobicContact CG-CB 3.88Å; F1018-A1029 VanDerWaalsContact CZ-C 3.41Å; F1018-A1029 HydrophobicContact CZ-CB 3.67Å; F1018-A1029 WeakPolarHBondContact CZ-O 3.42Å; F1018-V1030 HydrophobicContact CE1-CG2 3.9Å; F1018-V1033 HydrophobicContact CE2-CG2 3.5Å; F1018-V1033 VanDerWaalsContact CE2-CG2 3.5Å; F1018-V1033 HydrophobicContact CZ-CB 4.34Å; F1018-V1033 HydrophobicContact CZ-CG2 3.66Å; F1018-F1061 HydrophobicContact CB-CB 4.34Å; F1018-F1061 HydrophobicContact CB-CD1 3.63Å; F1018-F1061 HydrophobicContact CB-CE1 3.95Å; F1018-F1061 HydrophobicContact CB-CG 3.96Å; F1018-F1061 HydrophobicContact CD1-CB 3.77Å; F1018-F1061 HydrophobicContact CD1-CD1 4.38Å; F1018-F1061 HydrophobicContact CD1-CG 4.32Å; F1018-F1061 HydrophobicContact CD2-CB 3.73Å; F1018-F1061 HydrophobicContact CD2-CD1 4.48Å; F1018-F1061 HydrophobicContact CD2-CD2 4.23Å; F1018-F1061 AromaticContact CD2-CG 3.94Å; F1018-F1061 HydrophobicContact CD2-CG 3.94Å; F1018-F1061 HydrophobicContact CE1-CB 3.9Å; F1018-F1061 HydrophobicContact CE2-CB 3.87Å; F1018-F1061 HydrophobicContact CG-CB 3.68Å; F1018-F1061 AromaticContact CG-CD1 3.95Å; F1018-F1061 HydrophobicContact CG-CD1 3.95Å; F1018-F1061 HydrophobicContact CG-CD2 4.49Å; F1018-F1061 AromaticContact CG-CG 3.83Å; F1018-F1061 HydrophobicContact CG-CG 3.83Å; F1018-F1061 HydrophobicContact CZ-CB 3.95Å |
| 1019 | T | 82 | Confident | 86 | Confident | 44 Ų | 44 | 40.6 Ų | 40.6 | 27% | 0.27 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 14.2 | 176.3 | 68.5 | 0 | 0 | 0 | 0 | 113.3 | S1015 F1061 L1191 | S1015-T1019 WeakPolarHBondContact O-CG2 3.01Å; S1015-T1019 PolarHBondContact O-N 3.49Å; S1015-T1019 PolarHBondContact O-OG1 3.39Å; T1019-F1061 HydrophobicContact CG2-CE1 4.37Å; T1019-L1191 HydrophobicContact CG2-CD2 4.16Å |
| 1020 | S | 84 | Confident | 86.4 | Confident | 36 Ų | 36 | 40.3 Ų | 40.3 | 25% | 0.252 | 23% | 0.226 | S | C | . | . | trans | -69.9 | 141.9 | 178.8 | -166.8 | 0 | 0 | 0 | 0 | 111.9 | S1016 D1017 D1022 T1025 R1026 | S1016-S1020 PolarHBondContact O-N 3.27Å; D1017-S1020 WeakPolarHBondContact O-CB 3.35Å; S1020-D1022 VanDerWaalsContact C-N 3.29Å; S1020-D1022 PolarHBondContact O-N 3.2Å; S1020-T1025 WeakPolarHBondContact CB-OG1 3.36Å; S1020-T1025 PolarHBondContact OG-OG1 3.19Å; S1020-R1026 WeakPolarHBondContact O-CD 3.2Å; S1020-R1026 PolarHBondContact O-NE 2.96Å | ||
| 1021 | N | 79.1 | Confident | 86.5 | Confident | 135 Ų | 135 | 41.6 Ų | 41.6 | 72% | 0.722 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -70 | -26.4 | 176 | -70.7 | -8.1 | 0 | 0 | 0 | 112.5 | Q1198 | N1021-Q1198 PolarHBondContact OD1-NE2 2.96Š|
| 1022 | D | 84.6 | Confident | 86.9 | Confident | 67 Ų | 67 | 41.6 Ų | 41.6 | 36% | 0.358 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -70.8 | 140.6 | 171 | 174 | 29.7 | 0 | 0 | 0 | 109.9 | S1020 S1024 T1025 R1026 | S1020-D1022 VanDerWaalsContact C-N 3.29Å; S1020-D1022 PolarHBondContact O-N 3.2Å; D1022-S1024 VanDerWaalsContact CG-N 3.33Å; D1022-S1024 WeakPolarHBondContact OD1-CB 3.37Å; D1022-S1024 PolarHBondContact OD1-N 2.97Å; D1022-S1024 PolarHBondContact OD1-OG 2.98Å; D1022-S1024 VanDerWaalsContact OD2-CB 3.24Å; D1022-S1024 WeakPolarHBondContact OD2-CB 3.44Å; D1022-S1024 PolarHBondContact OD2-OG 3.31Å; D1022-T1025 HydrophobicContact CB-CG2 4.41Å; D1022-T1025 WeakPolarHBondContact CB-OG1 3.41Å; D1022-T1025 PolarHBondContact O-OG1 2.98Å; D1022-T1025 VanDerWaalsContact O-OG1 3.05Å; D1022-T1025 PolarHBondContact OD2-N 2.9Å; D1022-R1026 WeakPolarHBondContact O-CG 3.41Å; D1022-R1026 PolarHBondContact O-NE 2.95Å; D1022-R1026 VanDerWaalsContact O-NE 3.13Å |
| 1023 | F | 83.3 | Confident | 87.5 | Confident | 107 Ų | 107 | 40.2 Ų | 40.2 | 47% | 0.469 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -80.3 | -26.2 | 174.8 | 79.5 | -80.2 | 0 | 0 | 0 | 111.2 | R1026 F1027 D1070 | F1023-R1026 PolarHBondContact O-N 3.22Å; F1023-F1027 VanDerWaalsContact O-CB 3.31Å; F1023-F1027 WeakPolarHBondContact O-CB 3.47Å; F1023-F1027 PolarHBondContact O-N 2.71Å; F1023-D1070 HydrophobicContact CB-CB 4.47Å |
| 1024 | S | 86.3 | Confident | 87.7 | Confident | 58 Ų | 58 | 39.2 Ų | 39.2 | 41% | 0.406 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -70.6 | -42.6 | -176.2 | -36.2 | 0 | 0 | 0 | 0 | 111.8 | D1022 F1027 S1028 | D1022-S1024 VanDerWaalsContact CG-N 3.33Å; D1022-S1024 WeakPolarHBondContact OD1-CB 3.37Å; D1022-S1024 PolarHBondContact OD1-N 2.97Å; D1022-S1024 PolarHBondContact OD1-OG 2.98Å; D1022-S1024 VanDerWaalsContact OD2-CB 3.24Å; D1022-S1024 WeakPolarHBondContact OD2-CB 3.44Å; D1022-S1024 PolarHBondContact OD2-OG 3.31Å; S1024-F1027 PolarHBondContact O-N 2.82Å; S1024-S1028 PolarHBondContact O-N 3.15Å |
| 1025 | T | 89.6 | Confident | 87.8 | Confident | 45 Ų | 45 | 39.2 Ų | 39.2 | 28% | 0.276 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59 | -47.7 | 169.8 | 46.8 | 0 | 0 | 0 | 0 | 111.8 | S1020 D1022 F1027 S1028 A1029 | S1020-T1025 WeakPolarHBondContact CB-OG1 3.36Å; S1020-T1025 PolarHBondContact OG-OG1 3.19Å; D1022-T1025 HydrophobicContact CB-CG2 4.41Å; D1022-T1025 WeakPolarHBondContact CB-OG1 3.41Å; D1022-T1025 PolarHBondContact O-OG1 2.98Å; D1022-T1025 VanDerWaalsContact O-OG1 3.05Å; D1022-T1025 PolarHBondContact OD2-N 2.9Å; T1025-F1027 PolarHBondContact O-N 3.35Å; T1025-S1028 WeakPolarHBondContact O-CB 3.31Å; T1025-S1028 PolarHBondContact O-N 3.34Å; T1025-A1029 PolarHBondContact O-N 3.1Å |
| 1026 | R | 90.2 | Very high | 88.1 | Confident | 37 Ų | 37 | 39.3 Ų | 39.3 | 14% | 0.14 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.3 | -39.7 | 176.3 | -69.7 | -173.5 | -75.3 | 145 | -4 | 112.5 | D1017 F1018 S1020 D1022 F1023 A1029 V1030 D1068 L1073 | D1017-R1026 WeakPolarHBondContact O-CG 3.19Å; F1018-R1026 VanDerWaalsContact O-CD 3.29Å; F1018-R1026 WeakPolarHBondContact O-CD 3.34Å; F1018-R1026 WeakPolarHBondContact O-CG 2.83Å; S1020-R1026 WeakPolarHBondContact O-CD 3.2Å; S1020-R1026 PolarHBondContact O-NE 2.96Å; D1022-R1026 WeakPolarHBondContact O-CG 3.41Å; D1022-R1026 PolarHBondContact O-NE 2.95Å; D1022-R1026 VanDerWaalsContact O-NE 3.13Å; F1023-R1026 PolarHBondContact O-N 3.22Å; R1026-A1029 VanDerWaalsContact O-CB 3.29Å; R1026-A1029 WeakPolarHBondContact O-CB 3.38Å; R1026-A1029 PolarHBondContact O-N 2.93Å; R1026-A1029 VanDerWaalsContact O-N 3.14Å; R1026-V1030 PolarHBondContact O-N 3.37Å; R1026-V1030 VanDerWaalsContact O-N 3.09Å; R1026-D1068 IonicContact CZ-OD1 3.11Å; R1026-D1068 IonicContact CZ-OD2 3.83Å; R1026-D1068 IonicContact NH1-OD1 2.69Å; R1026-D1068 PolarHBondContact NH1-OD1 3.13Å; R1026-D1068 IonicContact NH1-OD2 3.82Å; R1026-D1068 PolarHBondContact NH1-OD2 2.85Å; R1026-L1073 HydrophobicContact CB-CD1 3.62Å |
| 1027 | F | 90.5 | Very high | 88.4 | Confident | 66 Ų | 66 | 35.8 Ų | 35.8 | 29% | 0.289 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.8 | -43.1 | 176 | -171.3 | -80.8 | 0 | 0 | 0 | 111.3 | F1023 S1024 T1025 A1029 V1030 E1031 L1073 R1076 | F1023-F1027 VanDerWaalsContact O-CB 3.31Å; F1023-F1027 WeakPolarHBondContact O-CB 3.47Å; F1023-F1027 PolarHBondContact O-N 2.71Å; S1024-F1027 PolarHBondContact O-N 2.82Å; T1025-F1027 PolarHBondContact O-N 3.35Å; F1027-A1029 VanDerWaalsContact C-N 3.32Å; F1027-A1029 PolarHBondContact O-N 2.62Å; F1027-V1030 PolarHBondContact O-N 3.24Å; F1027-E1031 PolarHBondContact O-N 2.9Å; F1027-L1073 HydrophobicContact CB-CD1 4.08Å; F1027-L1073 HydrophobicContact CB-CG 4.29Å; F1027-L1073 HydrophobicContact CD2-CB 4.04Å; F1027-L1073 HydrophobicContact CD2-CG 4.16Å; F1027-R1076 HydrophobicContact CE1-CG 4.35Å; F1027-R1076 HydrophobicContact CE2-CB 3.73Å; F1027-R1076 HydrophobicContact CE2-CG 3.87Å; F1027-R1076 HydrophobicContact CZ-CB 4.04Å; F1027-R1076 HydrophobicContact CZ-CG 3.72Å |
| 1028 | S | 88.8 | Confident | 88.3 | Confident | 47 Ų | 47 | 37 Ų | 37 | 33% | 0.329 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.8 | -38.2 | 172.3 | -177 | 0 | 0 | 0 | 0 | 112.1 | S1024 T1025 E1031 K1032 | S1024-S1028 PolarHBondContact O-N 3.15Å; T1025-S1028 WeakPolarHBondContact O-CB 3.31Å; T1025-S1028 PolarHBondContact O-N 3.34Å; S1028-E1031 PolarHBondContact O-N 3.32Å; S1028-K1032 WeakPolarHBondContact O-CD 3.02Å; S1028-K1032 VanDerWaalsContact O-CG 3.23Å; S1028-K1032 WeakPolarHBondContact O-CG 3.47Å; S1028-K1032 PolarHBondContact O-N 3.14Å; S1028-K1032 WeakPolarHBondContact OG-CE 3.46Å; S1028-K1032 PolarHBondContact OG-NZ 3.2Å; S1028-K1032 VanDerWaalsContact OG-NZ 3.1Å |
| 1029 | A | 91.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.6 | -45.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D1017 F1018 T1025 R1026 F1027 E1031 K1032 V1033 | D1017-A1029 HydrophobicContact CB-CB 3.88Å; F1018-A1029 HydrophobicContact CD1-CB 3.92Å; F1018-A1029 HydrophobicContact CD2-CB 3.72Å; F1018-A1029 HydrophobicContact CE1-CB 3.83Å; F1018-A1029 HydrophobicContact CE2-CB 3.6Å; F1018-A1029 HydrophobicContact CG-CB 3.88Å; F1018-A1029 VanDerWaalsContact CZ-C 3.41Å; F1018-A1029 HydrophobicContact CZ-CB 3.67Å; F1018-A1029 WeakPolarHBondContact CZ-O 3.42Å; T1025-A1029 PolarHBondContact O-N 3.1Å; R1026-A1029 VanDerWaalsContact O-CB 3.29Å; R1026-A1029 WeakPolarHBondContact O-CB 3.38Å; R1026-A1029 PolarHBondContact O-N 2.93Å; R1026-A1029 VanDerWaalsContact O-N 3.14Å; F1027-A1029 VanDerWaalsContact C-N 3.32Å; F1027-A1029 PolarHBondContact O-N 2.62Å; A1029-E1031 VanDerWaalsContact C-N 3.3Å; A1029-E1031 PolarHBondContact O-N 3.45Å; A1029-K1032 PolarHBondContact O-N 3.29Å; A1029-V1033 PolarHBondContact O-N 2.86Å; A1029-V1033 VanDerWaalsContact O-N 3.08Å |
| 1030 | V | 91.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.7 | -45.5 | 174.4 | 166 | 0 | 0 | 0 | 0 | 111.3 | F1018 R1026 F1027 T1034 L1062 S1065 L1073 R1076 A1077 | F1018-V1030 HydrophobicContact CE1-CG2 3.9Å; R1026-V1030 PolarHBondContact O-N 3.37Å; R1026-V1030 VanDerWaalsContact O-N 3.09Å; F1027-V1030 PolarHBondContact O-N 3.24Å; V1030-T1034 WeakPolarHBondContact O-CB 3.41Å; V1030-T1034 PolarHBondContact O-N 2.93Å; V1030-T1034 VanDerWaalsContact O-N 3.12Å; V1030-T1034 PolarHBondContact O-OG1 3.36Å; V1030-L1062 HydrophobicContact CB-CD1 4.31Å; V1030-L1062 HydrophobicContact CG1-CD1 3.77Å; V1030-L1062 HydrophobicContact CG2-CD1 4.5Å; V1030-S1065 VanDerWaalsContact CG2-CB 3.44Å; V1030-S1065 WeakPolarHBondContact CG2-OG 3.33Å; V1030-L1073 HydrophobicContact CG2-CD2 3.7Å; V1030-L1073 HydrophobicContact CG2-CG 4.38Å; V1030-R1076 HydrophobicContact CG1-CG 4.34Å; V1030-A1077 HydrophobicContact CG1-CB 3.88Å; V1030-A1077 HydrophobicContact CG2-CB 4.46Å |
| 1031 | E | 91.3 | Very high | 88.2 | Confident | 32 Ų | 32 | 39 Ų | 39 | 15% | 0.15 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.5 | -51.6 | 177.6 | -176.4 | 163.9 | 149.3 | 0 | 0 | 111.8 | S984 F1027 S1028 A1029 V1033 T1034 V1035 R1076 | S984-E1031 WeakPolarHBondContact CB-OE1 3.44Å; S984-E1031 PolarHBondContact N-OE1 3.11Å; S984-E1031 PolarHBondContact OG-OE1 3.28Å; S984-E1031 PolarHBondContact OG-OE2 2.93Å; F1027-E1031 PolarHBondContact O-N 2.9Å; S1028-E1031 PolarHBondContact O-N 3.32Å; A1029-E1031 VanDerWaalsContact C-N 3.3Å; A1029-E1031 PolarHBondContact O-N 3.45Å; E1031-V1033 PolarHBondContact O-N 3.38Å; E1031-T1034 WeakPolarHBondContact O-CB 3.38Å; E1031-T1034 PolarHBondContact O-N 3.38Å; E1031-T1034 VanDerWaalsContact O-N 3.11Å; E1031-V1035 HydrophobicContact CG-CG2 4.27Å; E1031-V1035 WeakPolarHBondContact O-CG2 3.5Å; E1031-V1035 PolarHBondContact O-N 2.83Å; E1031-R1076 IonicContact OE2-CZ 3.72Å; E1031-R1076 IonicContact OE2-NH2 3.11Å; E1031-R1076 PolarHBondContact OE2-NH2 3.47Å |
| 1032 | K | 93.1 | Very high | 88.1 | Confident | 16 Ų | 16 | 36.6 Ų | 36.6 | 7% | 0.07 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -53.5 | -47 | -180 | -70.1 | 163 | 177.1 | 153.3 | 0 | 112.5 | W979 L982 D1017 S1028 A1029 V1035 L1036 | W979-K1032 HydrophobicContact CD2-CD 4.01Å; W979-K1032 HydrophobicContact CE3-CB 4.49Å; W979-K1032 HydrophobicContact CG-CD 4.38Å; W979-K1032 HydrophobicContact CH2-CB 3.86Å; W979-K1032 HydrophobicContact CH2-CD 4.37Å; W979-K1032 HydrophobicContact CZ2-CB 4.05Å; W979-K1032 HydrophobicContact CZ2-CD 3.72Å; W979-K1032 HydrophobicContact CZ3-CB 4.1Å; W979-K1032 WeakPolarHBondContact O-CD 3.42Å; W979-K1032 VanDerWaalsContact O-CE 3.28Å; W979-K1032 WeakPolarHBondContact O-CE 3.38Å; L982-K1032 HydrophobicContact CB-CB 4.07Å; L982-K1032 HydrophobicContact CB-CG 3.93Å; L982-K1032 HydrophobicContact CD1-CB 4.4Å; L982-K1032 VanDerWaalsContact O-CG 3.3Å; L982-K1032 WeakPolarHBondContact O-CG 3.2Å; D1017-K1032 IonicContact OD2-NZ 3.81Å; D1017-K1032 PolarHBondContact OD2-NZ 3.44Å; S1028-K1032 WeakPolarHBondContact O-CD 3.02Å; S1028-K1032 VanDerWaalsContact O-CG 3.23Å; S1028-K1032 WeakPolarHBondContact O-CG 3.47Å; S1028-K1032 PolarHBondContact O-N 3.14Å; S1028-K1032 WeakPolarHBondContact OG-CE 3.46Å; S1028-K1032 PolarHBondContact OG-NZ 3.2Å; S1028-K1032 VanDerWaalsContact OG-NZ 3.1Å; A1029-K1032 PolarHBondContact O-N 3.29Å; K1032-V1035 PolarHBondContact O-N 3.28Å; K1032-L1036 WeakPolarHBondContact O-CB 3.3Å; K1032-L1036 PolarHBondContact O-N 3.18Å |
| 1033 | V | 93 | Very high | 87.7 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.4 | -37.2 | 178.8 | -179.7 | 0 | 0 | 0 | 0 | 112.2 | W979 F1018 A1029 E1031 V1035 S1037 A1058 L1062 | W979-V1033 HydrophobicContact CH2-CG2 3.75Å; W979-V1033 HydrophobicContact CZ3-CG2 4.39Å; F1018-V1033 HydrophobicContact CE2-CG2 3.5Å; F1018-V1033 VanDerWaalsContact CE2-CG2 3.5Å; F1018-V1033 HydrophobicContact CZ-CB 4.34Å; F1018-V1033 HydrophobicContact CZ-CG2 3.66Å; A1029-V1033 PolarHBondContact O-N 2.86Å; A1029-V1033 VanDerWaalsContact O-N 3.08Å; E1031-V1033 PolarHBondContact O-N 3.38Å; V1033-V1035 VanDerWaalsContact C-N 3.35Å; V1033-S1037 WeakPolarHBondContact O-CB 3.49Å; V1033-S1037 PolarHBondContact O-N 2.76Å; V1033-S1037 PolarHBondContact O-OG 3.31Å; V1033-A1058 HydrophobicContact CG1-CB 4.15Å; V1033-A1058 HydrophobicContact CG2-CB 4.24Å; V1033-L1062 HydrophobicContact CB-CB 4.43Å; V1033-L1062 HydrophobicContact CG1-CB 3.96Å; V1033-L1062 HydrophobicContact CG1-CD2 4.06Å |
| 1034 | T | 90.6 | Very high | 87.3 | Confident | 5 Ų | 5 | 33.3 Ų | 33.3 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60 | -48.4 | 175.3 | -56.2 | 0 | 0 | 0 | 0 | 110.3 | V1030 E1031 S1037 W1038 S1080 | V1030-T1034 WeakPolarHBondContact O-CB 3.41Å; V1030-T1034 PolarHBondContact O-N 2.93Å; V1030-T1034 VanDerWaalsContact O-N 3.12Å; V1030-T1034 PolarHBondContact O-OG1 3.36Å; E1031-T1034 WeakPolarHBondContact O-CB 3.38Å; E1031-T1034 PolarHBondContact O-N 3.38Å; E1031-T1034 VanDerWaalsContact O-N 3.11Å; T1034-S1037 WeakPolarHBondContact O-CA 3.47Å; T1034-S1037 VanDerWaalsContact O-CB 3.28Å; T1034-S1037 WeakPolarHBondContact O-CB 3.39Å; T1034-S1037 PolarHBondContact O-N 3.44Å; T1034-S1037 VanDerWaalsContact O-N 3.1Å; T1034-W1038 HydrophobicContact CG2-CZ2 3.99Å; T1034-W1038 PolarHBondContact O-N 3.44Å; T1034-S1080 VanDerWaalsContact OG1-CB 3.23Å; T1034-S1080 WeakPolarHBondContact OG1-CB 3.47Å; T1034-S1080 PolarHBondContact OG1-OG 3.09Å |
| 1035 | V | 90.1 | Very high | 86.8 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.8 | -42 | -177.3 | -177.6 | 0 | 0 | 0 | 0 | 111.1 | E1031 K1032 V1033 S1037 W1038 F1039 | E1031-V1035 HydrophobicContact CG-CG2 4.27Å; E1031-V1035 WeakPolarHBondContact O-CG2 3.5Å; E1031-V1035 PolarHBondContact O-N 2.83Å; K1032-V1035 PolarHBondContact O-N 3.28Å; V1033-V1035 VanDerWaalsContact C-N 3.35Å; V1035-S1037 PolarHBondContact O-N 2.77Å; V1035-W1038 HydrophobicContact CB-CE3 4.31Å; V1035-W1038 HydrophobicContact CG1-CE3 4.08Å; V1035-W1038 HydrophobicContact CG1-CZ3 4.4Å; V1035-W1038 HydrophobicContact CG2-CE3 4.17Å; V1035-W1038 HydrophobicContact CG2-CH2 4.38Å; V1035-W1038 HydrophobicContact CG2-CZ3 3.93Å; V1035-W1038 WeakPolarHBondContact O-CB 3.47Å; V1035-W1038 PolarHBondContact O-N 3.22Å; V1035-W1038 VanDerWaalsContact O-N 3.08Å; V1035-F1039 HydrophobicContact CG1-CD2 4.49Å; V1035-F1039 HydrophobicContact CG1-CE2 4.07Å; V1035-F1039 VanDerWaalsContact O-CD2 3.3Å; V1035-F1039 WeakPolarHBondContact O-CD2 3.37Å |
| 1036 | L | 90.6 | Very high | 86.1 | Confident | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.1 | -39.4 | 171 | -173.1 | 157.6 | 0 | 0 | 0 | 111.2 | L982 T994 F998 F1010 K1032 W1038 F1039 | L982-L1036 HydrophobicContact CD1-CB 4.36Å; L982-L1036 HydrophobicContact CD1-CD1 4.15Å; T994-L1036 HydrophobicContact CG2-CG 4.27Å; F998-L1036 HydrophobicContact CE1-CD2 4.26Å; F998-L1036 HydrophobicContact CZ-CD2 4Å; F1010-L1036 HydrophobicContact CE2-CD1 4.17Å; F1010-L1036 HydrophobicContact CZ-CD1 4.03Å; K1032-L1036 WeakPolarHBondContact O-CB 3.3Å; K1032-L1036 PolarHBondContact O-N 3.18Å; L1036-W1038 VanDerWaalsContact C-N 3.3Å; L1036-W1038 PolarHBondContact O-N 3.06Å; L1036-F1039 PolarHBondContact O-N 3.43Å |
| 1037 | S | 90.1 | Very high | 85.3 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.014 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.3 | -24 | 178.8 | -59.3 | 0 | 0 | 0 | 0 | 114.2 | V1033 T1034 V1035 F1039 S1088 | V1033-S1037 WeakPolarHBondContact O-CB 3.49Å; V1033-S1037 PolarHBondContact O-N 2.76Å; V1033-S1037 PolarHBondContact O-OG 3.31Å; T1034-S1037 WeakPolarHBondContact O-CA 3.47Å; T1034-S1037 VanDerWaalsContact O-CB 3.28Å; T1034-S1037 WeakPolarHBondContact O-CB 3.39Å; T1034-S1037 PolarHBondContact O-N 3.44Å; T1034-S1037 VanDerWaalsContact O-N 3.1Å; V1035-S1037 PolarHBondContact O-N 2.77Å; S1037-F1039 VanDerWaalsContact C-N 3.32Å; S1037-F1039 PolarHBondContact O-N 3.18Å; S1037-S1088 WeakPolarHBondContact O-CB 3.41Å |
| 1038 | W | 87.8 | Confident | 84.7 | Confident | 58 Ų | 58 | 33.5 Ų | 33.5 | 22% | 0.22 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -72.6 | -21.4 | 178.5 | -66.7 | -18.8 | 0 | 0 | 0 | 114.2 | T1034 V1035 L1036 T1083 K1085 | T1034-W1038 HydrophobicContact CG2-CZ2 3.99Å; T1034-W1038 PolarHBondContact O-N 3.44Å; V1035-W1038 HydrophobicContact CB-CE3 4.31Å; V1035-W1038 HydrophobicContact CG1-CE3 4.08Å; V1035-W1038 HydrophobicContact CG1-CZ3 4.4Å; V1035-W1038 HydrophobicContact CG2-CE3 4.17Å; V1035-W1038 HydrophobicContact CG2-CH2 4.38Å; V1035-W1038 HydrophobicContact CG2-CZ3 3.93Å; V1035-W1038 WeakPolarHBondContact O-CB 3.47Å; V1035-W1038 PolarHBondContact O-N 3.22Å; V1035-W1038 VanDerWaalsContact O-N 3.08Å; L1036-W1038 VanDerWaalsContact C-N 3.3Å; L1036-W1038 PolarHBondContact O-N 3.06Å; W1038-T1083 HydrophobicContact CZ2-CG2 4.44Å; W1038-T1083 WeakPolarHBondContact CZ2-OG1 3.24Å; W1038-T1083 PolarHBondContact NE1-OG1 3.43Å; W1038-K1085 PolarHBondContact O-NZ 3.46Å |
| 1039 | F | 87.4 | Confident | 84.2 | Confident | 51 Ų | 51 | 33.8 Ų | 33.8 | 22% | 0.224 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | 15.7 | -173.4 | -60 | -73.3 | 0 | 0 | 0 | 113.7 | S987 E991 T994 V1035 L1036 S1037 D1041 | S987-F1039 WeakPolarHBondContact O-CZ 3.27Å; E991-F1039 HydrophobicContact CB-CD1 3.77Å; E991-F1039 HydrophobicContact CB-CD2 4.34Å; E991-F1039 HydrophobicContact CB-CE1 3.67Å; E991-F1039 HydrophobicContact CB-CE2 4.26Å; E991-F1039 HydrophobicContact CB-CG 4.11Å; E991-F1039 HydrophobicContact CB-CZ 3.93Å; E991-F1039 HydrophobicContact CG-CD1 3.63Å; E991-F1039 HydrophobicContact CG-CE1 3.87Å; E991-F1039 HydrophobicContact CG-CG 4.19Å; T994-F1039 HydrophobicContact CG2-CB 3.98Å; V1035-F1039 HydrophobicContact CG1-CD2 4.49Å; V1035-F1039 HydrophobicContact CG1-CE2 4.07Å; V1035-F1039 VanDerWaalsContact O-CD2 3.3Å; V1035-F1039 WeakPolarHBondContact O-CD2 3.37Å; L1036-F1039 PolarHBondContact O-N 3.43Å; S1037-F1039 VanDerWaalsContact C-N 3.32Å; S1037-F1039 PolarHBondContact O-N 3.18Å; F1039-D1041 PolarHBondContact O-N 2.93Å |
| 1040 | I | 84.5 | Confident | 83.7 | Confident | 15 Ų | 15 | 37.1 Ų | 37.1 | 8% | 0.077 | 19% | 0.19 | C | C | . | . | trans | -66.3 | 124.2 | 174.5 | -74.3 | 172.4 | 0 | 0 | 0 | 111.5 | F998 I1045 V1055 C1091 L1092 | F998-I1040 HydrophobicContact CE2-CG1 4.45Å; F998-I1040 HydrophobicContact CZ-CG1 3.99Å; I1040-I1045 HydrophobicContact CB-CD1 4.45Å; I1040-I1045 HydrophobicContact CD1-CD1 4.15Å; I1040-I1045 HydrophobicContact CG1-CD1 4.26Å; I1040-I1045 HydrophobicContact CG2-CD1 3.38Å; I1040-I1045 HydrophobicContact CG2-CG1 4.17Å; I1040-V1055 HydrophobicContact CD1-CG1 4.11Å; I1040-C1091 HydrophobicContact CG2-CB 4.12Å; I1040-L1092 HydrophobicContact CD1-CD1 4.22Å; I1040-L1092 HydrophobicContact CD1-CD2 3.5Å; I1040-L1092 HydrophobicContact CD1-CG 3.86Å | ||
| 1041 | D | 78.8 | Confident | 83.3 | Confident | 72 Ų | 72 | 37.2 Ų | 37.2 | 39% | 0.385 | 19% | 0.19 | S | C | . | . | trans | -92.2 | 134.9 | 163.7 | -166.7 | -44.1 | 0 | 0 | 0 | 110.5 | F1039 T1043 I1044 | F1039-D1041 PolarHBondContact O-N 2.93Å; D1041-T1043 VanDerWaalsContact C-N 3.28Å; D1041-T1043 PolarHBondContact O-N 2.89Å; D1041-T1043 WeakPolarHBondContact OD1-CB 3.05Å; D1041-T1043 PolarHBondContact OD1-N 3.21Å; D1041-T1043 PolarHBondContact OD1-OG1 3.48Å; D1041-I1044 HydrophobicContact CB-CD1 4.09Å; D1041-I1044 HydrophobicContact CB-CG1 4.27Å | ||
| 1042 | Q | 77.4 | Confident | 82.9 | Confident | 85 Ų | 85 | 36.8 Ų | 36.8 | 40% | 0.397 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.5 | -28.8 | 179.1 | -177.2 | 164.8 | 60.1 | 0 | 0 | 113.4 | K1046 C1091 | Q1042-K1046 HydrophobicContact CG-CD 3.95Å; Q1042-K1046 HydrophobicContact CG-CG 4.46Å; Q1042-K1046 WeakPolarHBondContact O-CB 3.4Å; Q1042-K1046 WeakPolarHBondContact O-CG 3.36Å; Q1042-K1046 PolarHBondContact O-N 3.2Å; Q1042-C1091 WeakPolarHBondContact CB-SG 3.35Å; Q1042-C1091 VanDerWaalsContact CG-SG 3.5Å |
| 1043 | T | 76.4 | Confident | 82.3 | Confident | 86 Ų | 86 | 36.2 Ų | 36.2 | 53% | 0.528 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.1 | -52.5 | -178 | 56.1 | 0 | 0 | 0 | 0 | 111.1 | D1041 I1045 K1046 S1047 | D1041-T1043 VanDerWaalsContact C-N 3.28Å; D1041-T1043 PolarHBondContact O-N 2.89Å; D1041-T1043 WeakPolarHBondContact OD1-CB 3.05Å; D1041-T1043 PolarHBondContact OD1-N 3.21Å; D1041-T1043 PolarHBondContact OD1-OG1 3.48Å; T1043-I1045 PolarHBondContact O-N 3.3Å; T1043-K1046 PolarHBondContact O-N 3.4Å; T1043-S1047 PolarHBondContact O-N 3.14Å; T1043-S1047 VanDerWaalsContact O-N 3.16Å; T1043-S1047 PolarHBondContact O-OG 2.91Å |
| 1044 | I | 74.7 | Confident | 82 | Confident | 18 Ų | 18 | 36.9 Ų | 36.9 | 9% | 0.092 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.8 | -46.8 | -177.7 | -58.4 | 174.7 | 0 | 0 | 0 | 111.3 | V838 F998 D1041 S1047 I1051 | V838-I1044 HydrophobicContact CG2-CD1 4.08Å; V838-I1044 HydrophobicContact CG2-CG1 4.41Å; F998-I1044 HydrophobicContact CB-CG2 4.17Å; F998-I1044 HydrophobicContact CD2-CD1 4.45Å; F998-I1044 HydrophobicContact CD2-CG2 4.49Å; F998-I1044 HydrophobicContact CG-CG2 4.34Å; D1041-I1044 HydrophobicContact CB-CD1 4.09Å; D1041-I1044 HydrophobicContact CB-CG1 4.27Å; I1044-S1047 PolarHBondContact O-N 3.5Å; I1044-S1047 PolarHBondContact O-OG 2.73Å; I1044-I1051 HydrophobicContact CG2-CD1 3.99Å |
| 1045 | I | 75.9 | Confident | 81.8 | Confident | 8 Ų | 8 | 36.8 Ų | 36.8 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 178.5 | -66.7 | -167.5 | 0 | 0 | 0 | 110.6 | I1040 T1043 S1047 I1051 Q1052 V1055 C1091 | I1040-I1045 HydrophobicContact CB-CD1 4.45Å; I1040-I1045 HydrophobicContact CD1-CD1 4.15Å; I1040-I1045 HydrophobicContact CG1-CD1 4.26Å; I1040-I1045 HydrophobicContact CG2-CD1 3.38Å; I1040-I1045 HydrophobicContact CG2-CG1 4.17Å; T1043-I1045 PolarHBondContact O-N 3.3Å; I1045-S1047 VanDerWaalsContact C-N 3.28Å; I1045-S1047 PolarHBondContact O-N 3.16Å; I1045-I1051 HydrophobicContact CG1-CG2 4.36Å; I1045-Q1052 HydrophobicContact CG2-CG 3.66Å; I1045-Q1052 WeakPolarHBondContact O-CG 3.17Å; I1045-Q1052 PolarHBondContact O-NE2 3.33Å; I1045-V1055 HydrophobicContact CD1-CG1 4.1Å; I1045-C1091 HydrophobicContact CD1-CB 4.5Å |
| 1046 | K | 73.9 | Confident | 81.7 | Confident | 125 Ų | 125 | 36.8 Ų | 36.8 | 54% | 0.543 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.5 | -28.5 | -178.9 | -77.1 | 179.7 | 178.1 | 176.4 | 0 | 113.8 | Q1042 T1043 Q1052 | Q1042-K1046 HydrophobicContact CG-CD 3.95Å; Q1042-K1046 HydrophobicContact CG-CG 4.46Å; Q1042-K1046 WeakPolarHBondContact O-CB 3.4Å; Q1042-K1046 WeakPolarHBondContact O-CG 3.36Å; Q1042-K1046 PolarHBondContact O-N 3.2Å; T1043-K1046 PolarHBondContact O-N 3.4Å; K1046-Q1052 PolarHBondContact O-NE2 3.24Å |
| 1047 | S | 72.8 | Confident | 81.5 | Confident | 56 Ų | 56 | 36.8 Ų | 36.8 | 39% | 0.392 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -78.4 | -16.3 | -177.7 | 44.3 | 0 | 0 | 0 | 0 | 116.2 | T1043 I1044 I1045 | T1043-S1047 PolarHBondContact O-N 3.14Å; T1043-S1047 VanDerWaalsContact O-N 3.16Å; T1043-S1047 PolarHBondContact O-OG 2.91Å; I1044-S1047 PolarHBondContact O-N 3.5Å; I1044-S1047 PolarHBondContact O-OG 2.73Å; I1045-S1047 VanDerWaalsContact C-N 3.28Å; I1045-S1047 PolarHBondContact O-N 3.16Å |
| 1048 | C | 79.1 | Confident | 81.4 | Confident | 22 Ų | 22 | 36.9 Ų | 36.9 | 15% | 0.149 | 19% | 0.192 | C | C | . | . | trans | -141.5 | 117.4 | -173 | -172.4 | 0 | 0 | 0 | 0 | 113.5 | I1050 I1051 Q1052 | C1048-I1050 VanDerWaalsContact C-N 3.29Å; C1048-I1050 PolarHBondContact O-N 2.74Å; C1048-I1051 HydrophobicContact CB-CB 4.13Å; C1048-I1051 HydrophobicContact CB-CD1 3.89Å; C1048-I1051 HydrophobicContact CB-CG1 3.91Å; C1048-I1051 PolarHBondContact O-N 3.5Å; C1048-Q1052 WeakPolarHBondContact O-CG 3.01Å; C1048-Q1052 PolarHBondContact O-N 3.2Å | ||
| 1049 | L | 77.8 | Confident | 81.6 | Confident | 53 Ų | 53 | 34.2 Ų | 34.2 | 28% | 0.277 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60 | -36.8 | 178.1 | -59.8 | 176.2 | 0 | 0 | 0 | 112.5 | Q1052 G1053 H1098 | L1049-Q1052 WeakPolarHBondContact O-CB 3.26Å; L1049-Q1052 PolarHBondContact O-N 2.75Å; L1049-G1053 PolarHBondContact O-N 3.4Å; L1049-H1098 VanDerWaalsContact CD2-CE1 3.5Å; L1049-H1098 WeakPolarHBondContact CD2-CE1 3.47Å |
| 1050 | I | 80.5 | Confident | 81.7 | Confident | 70 Ų | 70 | 31.8 Ų | 31.8 | 36% | 0.359 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64.5 | -42.7 | 179.1 | -58.1 | 174.9 | 0 | 0 | 0 | 110.5 | A1007 C1048 A1054 | A1007-I1050 HydrophobicContact CB-CG2 3.36Å; C1048-I1050 VanDerWaalsContact C-N 3.29Å; C1048-I1050 PolarHBondContact O-N 2.74Å; I1050-A1054 WeakPolarHBondContact O-CB 3.37Å; I1050-A1054 PolarHBondContact O-N 2.95Å |
| 1051 | I | 83.4 | Confident | 81.9 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.7 | -40.3 | 175.4 | -60.6 | 178.8 | 0 | 0 | 0 | 110.3 | F998 L1001 I1044 I1045 C1048 A1054 V1055 | F998-I1051 HydrophobicContact CD1-CG2 4.06Å; F998-I1051 HydrophobicContact CE1-CG2 4.34Å; L1001-I1051 HydrophobicContact CB-CG1 3.99Å; I1044-I1051 HydrophobicContact CG2-CD1 3.99Å; I1045-I1051 HydrophobicContact CG1-CG2 4.36Å; C1048-I1051 HydrophobicContact CB-CB 4.13Å; C1048-I1051 HydrophobicContact CB-CD1 3.89Å; C1048-I1051 HydrophobicContact CB-CG1 3.91Å; C1048-I1051 PolarHBondContact O-N 3.5Å; I1051-A1054 PolarHBondContact O-N 2.8Å; I1051-V1055 HydrophobicContact CG2-CG2 4.11Å; I1051-V1055 WeakPolarHBondContact O-CB 3.5Å; I1051-V1055 VanDerWaalsContact O-CG2 3.29Å; I1051-V1055 WeakPolarHBondContact O-CG2 3.33Å; I1051-V1055 PolarHBondContact O-N 3.03Å |
| 1052 | Q | 83.4 | Confident | 82.5 | Confident | 23 Ų | 23 | 28.3 Ų | 28.3 | 11% | 0.107 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.6 | -52.5 | 175.8 | -71.6 | 172.9 | 17.3 | 0 | 0 | 111.8 | I1045 K1046 C1048 L1049 V1055 A1056 | I1045-Q1052 HydrophobicContact CG2-CG 3.66Å; I1045-Q1052 WeakPolarHBondContact O-CG 3.17Å; I1045-Q1052 PolarHBondContact O-NE2 3.33Å; K1046-Q1052 PolarHBondContact O-NE2 3.24Å; C1048-Q1052 WeakPolarHBondContact O-CG 3.01Å; C1048-Q1052 PolarHBondContact O-N 3.2Å; L1049-Q1052 WeakPolarHBondContact O-CB 3.26Å; L1049-Q1052 PolarHBondContact O-N 2.75Å; Q1052-V1055 PolarHBondContact O-N 2.58Å; Q1052-A1056 VanDerWaalsContact O-CB 3.22Å; Q1052-A1056 WeakPolarHBondContact O-CB 3.27Å; Q1052-A1056 PolarHBondContact O-N 2.63Å |
| 1053 | G | 81.5 | Confident | 83 | Confident | 4 Ų | 4 | 24.3 Ų | 24.3 | 4% | 0.041 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.6 | -43.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1049 V1055 A1056 N1057 | L1049-G1053 PolarHBondContact O-N 3.4Å; G1053-V1055 VanDerWaalsContact C-N 3.34Å; G1053-V1055 PolarHBondContact O-N 2.85Å; G1053-A1056 PolarHBondContact O-N 2.83Å; G1053-N1057 WeakPolarHBondContact O-CB 3.15Å; G1053-N1057 PolarHBondContact O-N 3.21Å; G1053-N1057 PolarHBondContact O-OD1 2.72Å |
| 1054 | A | 85.5 | Confident | 83.4 | Confident | 14 Ų | 14 | 22.2 Ų | 22.2 | 12% | 0.116 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.4 | -42.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1001 F1010 I1050 I1051 A1058 | L1001-A1054 HydrophobicContact CD1-CB 4.16Å; L1001-A1054 HydrophobicContact CD2-CB 4.29Å; F1010-A1054 HydrophobicContact CD1-CB 4.17Å; F1010-A1054 HydrophobicContact CE1-CB 4.36Å; I1050-A1054 WeakPolarHBondContact O-CB 3.37Å; I1050-A1054 PolarHBondContact O-N 2.95Å; I1051-A1054 PolarHBondContact O-N 2.8Å; A1054-A1058 PolarHBondContact O-N 3.11Å |
| 1055 | V | 87 | Confident | 84 | Confident | 4 Ų | 4 | 21.7 Ų | 21.7 | 2% | 0.024 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -73.4 | -41.2 | 178.1 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | F998 I1040 I1045 I1051 Q1052 G1053 N1057 A1058 F1059 L1092 | F998-V1055 HydrophobicContact CE1-CG2 3.77Å; F998-V1055 HydrophobicContact CZ-CG2 4.48Å; I1040-V1055 HydrophobicContact CD1-CG1 4.11Å; I1045-V1055 HydrophobicContact CD1-CG1 4.1Å; I1051-V1055 HydrophobicContact CG2-CG2 4.11Å; I1051-V1055 WeakPolarHBondContact O-CB 3.5Å; I1051-V1055 VanDerWaalsContact O-CG2 3.29Å; I1051-V1055 WeakPolarHBondContact O-CG2 3.33Å; I1051-V1055 PolarHBondContact O-N 3.03Å; Q1052-V1055 PolarHBondContact O-N 2.58Å; G1053-V1055 VanDerWaalsContact C-N 3.34Å; G1053-V1055 PolarHBondContact O-N 2.85Å; V1055-N1057 VanDerWaalsContact C-N 3.27Å; V1055-N1057 PolarHBondContact O-N 2.87Å; V1055-A1058 PolarHBondContact O-N 1.9Å; V1055-F1059 WeakPolarHBondContact O-CB 3.5Å; V1055-F1059 PolarHBondContact O-N 2.94Å; V1055-L1092 HydrophobicContact CG1-CD2 3.37Å |
| 1056 | A | 86.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -55.6 | -45.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q1052 G1053 F1059 I1060 A1095 L1096 Q1099 | Q1052-A1056 VanDerWaalsContact O-CB 3.22Å; Q1052-A1056 WeakPolarHBondContact O-CB 3.27Å; Q1052-A1056 PolarHBondContact O-N 2.63Å; G1053-A1056 PolarHBondContact O-N 2.83Å; A1056-F1059 PolarHBondContact O-N 3.17Å; A1056-I1060 WeakPolarHBondContact O-CG1 3.34Å; A1056-I1060 PolarHBondContact O-N 3.39Å; A1056-A1095 HydrophobicContact CB-CB 4.04Å; A1056-L1096 HydrophobicContact CB-CD2 4.24Å; A1056-Q1099 HydrophobicContact CB-CB 4.04Å |
| 1057 | N | 86.4 | Confident | 85 | Confident | 5 Ų | 5 | 19.9 Ų | 19.9 | 3% | 0.027 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.6 | -39.4 | -177.6 | -63.1 | -0.1 | 0 | 0 | 0 | 112.8 | W1011 G1053 V1055 F1059 I1060 F1061 Q1099 R1185 I1187 | W1011-N1057 HydrophobicContact CE3-CB 4.04Å; W1011-N1057 HydrophobicContact CH2-CB 4.32Å; W1011-N1057 HydrophobicContact CZ3-CB 3.49Å; W1011-N1057 VanDerWaalsContact CZ3-CB 3.49Å; G1053-N1057 WeakPolarHBondContact O-CB 3.15Å; G1053-N1057 PolarHBondContact O-N 3.21Å; G1053-N1057 PolarHBondContact O-OD1 2.72Å; V1055-N1057 VanDerWaalsContact C-N 3.27Å; V1055-N1057 PolarHBondContact O-N 2.87Å; N1057-F1059 VanDerWaalsContact C-N 3.32Å; N1057-F1059 PolarHBondContact O-N 2.75Å; N1057-I1060 PolarHBondContact O-N 3.16Å; N1057-F1061 WeakPolarHBondContact O-CD2 3.38Å; N1057-F1061 PolarHBondContact O-N 2.91Å; N1057-Q1099 PolarHBondContact OD1-NE2 3.16Å; N1057-R1185 PolarHBondContact ND2-O 2.93Å; N1057-I1187 HydrophobicContact CB-CD1 3.62Å; N1057-I1187 HydrophobicContact CB-CG1 3.84Å; N1057-I1187 VanDerWaalsContact CG-CG1 3.47Å; N1057-I1187 WeakPolarHBondContact OD1-CD1 3.15Å |
| 1058 | A | 88.7 | Confident | 85.6 | Confident | 4 Ų | 4 | 18.8 Ų | 18.8 | 3% | 0.033 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.6 | -40.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1010 V1014 V1033 A1054 V1055 F1061 L1062 | F1010-A1058 HydrophobicContact CE1-CB 4.48Å; V1014-A1058 HydrophobicContact CG1-CB 4.32Å; V1033-A1058 HydrophobicContact CG1-CB 4.15Å; V1033-A1058 HydrophobicContact CG2-CB 4.24Å; A1054-A1058 PolarHBondContact O-N 3.11Å; V1055-A1058 PolarHBondContact O-N 1.9Å; A1058-F1061 PolarHBondContact O-N 3.41Å; A1058-L1062 PolarHBondContact O-N 2.68Å; A1058-L1062 VanDerWaalsContact O-N 3.16Å |
| 1059 | F | 92.2 | Very high | 85.6 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.4 | -32.5 | 178.8 | -169.2 | -131.8 | 0 | 0 | 0 | 112.9 | V1055 A1056 N1057 F1061 L1062 I1063 L1081 I1084 L1089 L1092 L1096 L1117 | V1055-F1059 WeakPolarHBondContact O-CB 3.5Å; V1055-F1059 PolarHBondContact O-N 2.94Å; A1056-F1059 PolarHBondContact O-N 3.17Å; N1057-F1059 VanDerWaalsContact C-N 3.32Å; N1057-F1059 PolarHBondContact O-N 2.75Å; F1059-F1061 VanDerWaalsContact C-N 3.35Å; F1059-L1062 HydrophobicContact CD2-CB 4.48Å; F1059-L1062 HydrophobicContact CD2-CD2 4.14Å; F1059-L1062 HydrophobicContact CE2-CD2 4.29Å; F1059-L1062 PolarHBondContact O-N 3.49Å; F1059-I1063 HydrophobicContact CD1-CD1 3.93Å; F1059-I1063 HydrophobicContact CD2-CG1 4.46Å; F1059-I1063 HydrophobicContact CE1-CD1 3.66Å; F1059-I1063 HydrophobicContact CE1-CG1 4.45Å; F1059-I1063 HydrophobicContact CE2-CD1 4.29Å; F1059-I1063 HydrophobicContact CE2-CG1 4.2Å; F1059-I1063 HydrophobicContact CG-CD1 4.36Å; F1059-I1063 HydrophobicContact CZ-CD1 3.85Å; F1059-I1063 HydrophobicContact CZ-CG1 4.19Å; F1059-I1063 WeakPolarHBondContact O-CG1 3.42Å; F1059-I1063 PolarHBondContact O-N 3.05Å; F1059-L1081 HydrophobicContact CE2-CD2 3.69Å; F1059-L1081 HydrophobicContact CZ-CD2 4.22Å; F1059-I1084 HydrophobicContact CE2-CD1 3.91Å; F1059-L1089 HydrophobicContact CZ-CD1 3.93Å; F1059-L1092 HydrophobicContact CB-CD2 4.17Å; F1059-L1092 HydrophobicContact CD1-CB 3.73Å; F1059-L1092 HydrophobicContact CD1-CD1 4.4Å; F1059-L1092 HydrophobicContact CD1-CD2 4.35Å; F1059-L1092 HydrophobicContact CD1-CG 4.38Å; F1059-L1092 HydrophobicContact CD2-CD1 3.9Å; F1059-L1092 HydrophobicContact CD2-CD2 4.49Å; F1059-L1092 HydrophobicContact CE1-CB 3.67Å; F1059-L1092 HydrophobicContact CE1-CD1 4.29Å; F1059-L1092 HydrophobicContact CE2-CD1 3.8Å; F1059-L1092 HydrophobicContact CG-CB 4.27Å; F1059-L1092 HydrophobicContact CG-CD1 4.22Å; F1059-L1092 HydrophobicContact CG-CD2 4.11Å; F1059-L1092 HydrophobicContact CG-CG 4.44Å; F1059-L1092 HydrophobicContact CZ-CB 4.17Å; F1059-L1092 HydrophobicContact CZ-CD1 4.01Å; F1059-L1096 HydrophobicContact CD1-CD1 3.7Å; F1059-L1096 HydrophobicContact CD1-CD2 4.19Å; F1059-L1096 HydrophobicContact CD1-CG 3.97Å; F1059-L1096 HydrophobicContact CE1-CD1 3.85Å; F1059-L1117 HydrophobicContact CE1-CD2 4.46Å; F1059-L1117 HydrophobicContact CZ-CD2 4.46Å |
| 1060 | I | 88.4 | Confident | 85.9 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63 | -40.4 | 172.8 | -72.7 | 159.4 | 0 | 0 | 0 | 111.4 | A1056 N1057 S1064 L1096 L1109 I1110 Q1113 I1187 | A1056-I1060 WeakPolarHBondContact O-CG1 3.34Å; A1056-I1060 PolarHBondContact O-N 3.39Å; N1057-I1060 PolarHBondContact O-N 3.16Å; I1060-S1064 WeakPolarHBondContact O-CB 3.43Å; I1060-S1064 PolarHBondContact O-N 3.21Å; I1060-S1064 PolarHBondContact O-OG 2.7Å; I1060-L1096 HydrophobicContact CD1-CD2 3.71Å; I1060-L1096 HydrophobicContact CG1-CD2 3.45Å; I1060-L1096 VanDerWaalsContact CG1-CD2 3.45Å; I1060-L1109 HydrophobicContact CG2-CD2 3.64Å; I1060-L1109 HydrophobicContact CG2-CG 3.9Å; I1060-I1110 HydrophobicContact CD1-CD1 4.3Å; I1060-I1110 HydrophobicContact CD1-CG1 3.71Å; I1060-I1110 HydrophobicContact CG1-CG1 4.48Å; I1060-Q1113 HydrophobicContact CG1-CG 4.33Å; I1060-Q1113 HydrophobicContact CG2-CG 4.15Å; I1060-I1187 HydrophobicContact CB-CD1 3.73Å; I1060-I1187 HydrophobicContact CD1-CD1 3.4Å; I1060-I1187 HydrophobicContact CG1-CD1 4.14Å; I1060-I1187 HydrophobicContact CG2-CD1 3.72Å |
| 1061 | F | 88.7 | Confident | 86.2 | Confident | 14 Ų | 14 | 24.2 Ų | 24.2 | 6% | 0.061 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 172.3 | -79.7 | -63.3 | 0 | 0 | 0 | 111.5 | W1011 V1014 F1018 T1019 N1057 A1058 F1059 I1063 S1064 S1065 I1187 L1191 | W1011-F1061 AromaticContact CH2-CE2 3.6Å; W1011-F1061 HydrophobicContact CH2-CE2 3.6Å; W1011-F1061 HydrophobicContact CH2-CZ 4.06Å; W1011-F1061 HydrophobicContact CZ3-CD2 4.4Å; W1011-F1061 AromaticContact CZ3-CE2 3.62Å; W1011-F1061 HydrophobicContact CZ3-CE2 3.62Å; V1014-F1061 HydrophobicContact CG1-CD2 3.95Å; V1014-F1061 HydrophobicContact CG1-CE2 4.29Å; F1018-F1061 HydrophobicContact CB-CB 4.34Å; F1018-F1061 HydrophobicContact CB-CD1 3.63Å; F1018-F1061 HydrophobicContact CB-CE1 3.95Å; F1018-F1061 HydrophobicContact CB-CG 3.96Å; F1018-F1061 HydrophobicContact CD1-CB 3.77Å; F1018-F1061 HydrophobicContact CD1-CD1 4.38Å; F1018-F1061 HydrophobicContact CD1-CG 4.32Å; F1018-F1061 HydrophobicContact CD2-CB 3.73Å; F1018-F1061 HydrophobicContact CD2-CD1 4.48Å; F1018-F1061 HydrophobicContact CD2-CD2 4.23Å; F1018-F1061 AromaticContact CD2-CG 3.94Å; F1018-F1061 HydrophobicContact CD2-CG 3.94Å; F1018-F1061 HydrophobicContact CE1-CB 3.9Å; F1018-F1061 HydrophobicContact CE2-CB 3.87Å; F1018-F1061 HydrophobicContact CG-CB 3.68Å; F1018-F1061 AromaticContact CG-CD1 3.95Å; F1018-F1061 HydrophobicContact CG-CD1 3.95Å; F1018-F1061 HydrophobicContact CG-CD2 4.49Å; F1018-F1061 AromaticContact CG-CG 3.83Å; F1018-F1061 HydrophobicContact CG-CG 3.83Å; F1018-F1061 HydrophobicContact CZ-CB 3.95Å; T1019-F1061 HydrophobicContact CG2-CE1 4.37Å; N1057-F1061 WeakPolarHBondContact O-CD2 3.38Å; N1057-F1061 PolarHBondContact O-N 2.91Å; A1058-F1061 PolarHBondContact O-N 3.41Å; F1059-F1061 VanDerWaalsContact C-N 3.35Å; F1061-I1063 PolarHBondContact O-N 3.41Å; F1061-S1064 WeakPolarHBondContact O-CB 3.15Å; F1061-S1064 PolarHBondContact O-N 2.91Å; F1061-S1064 VanDerWaalsContact O-N 3.11Å; F1061-S1065 PolarHBondContact O-N 3.16Å; F1061-S1065 PolarHBondContact O-OG 2.93Å; F1061-I1187 HydrophobicContact CZ-CG2 4.45Å; F1061-L1191 HydrophobicContact CE1-CD2 4.21Å |
| 1062 | L | 91.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.1 | -44.8 | 178.6 | -179.3 | 61.2 | 0 | 0 | 0 | 113.3 | V1030 V1033 A1058 F1059 S1064 S1065 L1081 I1084 | V1030-L1062 HydrophobicContact CB-CD1 4.31Å; V1030-L1062 HydrophobicContact CG1-CD1 3.77Å; V1030-L1062 HydrophobicContact CG2-CD1 4.5Å; V1033-L1062 HydrophobicContact CB-CB 4.43Å; V1033-L1062 HydrophobicContact CG1-CB 3.96Å; V1033-L1062 HydrophobicContact CG1-CD2 4.06Å; A1058-L1062 PolarHBondContact O-N 2.68Å; A1058-L1062 VanDerWaalsContact O-N 3.16Å; F1059-L1062 HydrophobicContact CD2-CB 4.48Å; F1059-L1062 HydrophobicContact CD2-CD2 4.14Å; F1059-L1062 HydrophobicContact CE2-CD2 4.29Å; F1059-L1062 PolarHBondContact O-N 3.49Å; L1062-S1064 VanDerWaalsContact C-N 3.33Å; L1062-S1065 PolarHBondContact O-N 2.95Å; L1062-L1081 HydrophobicContact CD2-CD2 3.96Å; L1062-L1081 HydrophobicContact CG-CD2 4.08Å; L1062-I1084 HydrophobicContact CD2-CD1 4.35Å |
| 1063 | I | 88.8 | Confident | 86.6 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70.3 | -33.2 | 177.9 | -54.5 | 164.4 | 0 | 0 | 0 | 110.8 | F1059 F1061 S1065 V1066 L1081 L1096 Q1113 T1116 L1117 | F1059-I1063 HydrophobicContact CD1-CD1 3.93Å; F1059-I1063 HydrophobicContact CD2-CG1 4.46Å; F1059-I1063 HydrophobicContact CE1-CD1 3.66Å; F1059-I1063 HydrophobicContact CE1-CG1 4.45Å; F1059-I1063 HydrophobicContact CE2-CD1 4.29Å; F1059-I1063 HydrophobicContact CE2-CG1 4.2Å; F1059-I1063 HydrophobicContact CG-CD1 4.36Å; F1059-I1063 HydrophobicContact CZ-CD1 3.85Å; F1059-I1063 HydrophobicContact CZ-CG1 4.19Å; F1059-I1063 WeakPolarHBondContact O-CG1 3.42Å; F1059-I1063 PolarHBondContact O-N 3.05Å; F1061-I1063 PolarHBondContact O-N 3.41Å; I1063-S1065 VanDerWaalsContact C-N 3.32Å; I1063-S1065 PolarHBondContact O-N 3.16Å; I1063-V1066 WeakPolarHBondContact O-CB 3.49Å; I1063-V1066 WeakPolarHBondContact O-CG2 3.32Å; I1063-V1066 PolarHBondContact O-N 2.74Å; I1063-L1081 HydrophobicContact CG1-CD1 4.36Å; I1063-L1081 HydrophobicContact CG1-CD2 4.07Å; I1063-L1096 HydrophobicContact CD1-CD1 4.25Å; I1063-Q1113 HydrophobicContact CB-CB 4.22Å; I1063-Q1113 HydrophobicContact CB-CG 4.34Å; I1063-Q1113 HydrophobicContact CD1-CB 3.89Å; I1063-Q1113 HydrophobicContact CG2-CB 4.01Å; I1063-Q1113 HydrophobicContact CG2-CG 4.46Å; I1063-T1116 HydrophobicContact CG2-CG2 4.01Å; I1063-L1117 HydrophobicContact CD1-CD2 4.43Å |
| 1064 | S | 84.6 | Confident | 86.7 | Confident | 42 Ų | 42 | 26.2 Ų | 26.2 | 29% | 0.294 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.1 | -38.6 | 176.2 | -58.3 | 0 | 0 | 0 | 0 | 112.1 | I1060 F1061 L1062 V1066 R1067 Q1113 | I1060-S1064 WeakPolarHBondContact O-CB 3.43Å; I1060-S1064 PolarHBondContact O-N 3.21Å; I1060-S1064 PolarHBondContact O-OG 2.7Å; F1061-S1064 WeakPolarHBondContact O-CB 3.15Å; F1061-S1064 PolarHBondContact O-N 2.91Å; F1061-S1064 VanDerWaalsContact O-N 3.11Å; L1062-S1064 VanDerWaalsContact C-N 3.33Å; S1064-V1066 PolarHBondContact O-N 2.93Å; S1064-V1066 VanDerWaalsContact O-N 3.09Å; S1064-R1067 PolarHBondContact O-N 2.88Å; S1064-Q1113 PolarHBondContact OG-NE2 3.37Å |
| 1065 | S | 88.3 | Confident | 86.9 | Confident | 7 Ų | 7 | 31.2 Ų | 31.2 | 5% | 0.049 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -61.4 | -14.3 | 178.3 | -66.1 | 0 | 0 | 0 | 0 | 115 | V1030 F1061 L1062 I1063 R1067 D1068 A1074 | V1030-S1065 VanDerWaalsContact CG2-CB 3.44Å; V1030-S1065 WeakPolarHBondContact CG2-OG 3.33Å; F1061-S1065 PolarHBondContact O-N 3.16Å; F1061-S1065 PolarHBondContact O-OG 2.93Å; L1062-S1065 PolarHBondContact O-N 2.95Å; I1063-S1065 VanDerWaalsContact C-N 3.32Å; I1063-S1065 PolarHBondContact O-N 3.16Å; S1065-R1067 PolarHBondContact O-N 3.11Å; S1065-R1067 VanDerWaalsContact O-N 3.14Å; S1065-D1068 PolarHBondContact O-N 2.9Å; S1065-A1074 WeakPolarHBondContact O-CA 3.29Å |
| 1066 | V | 87.1 | Confident | 87 | Confident | 23 Ų | 23 | 35 Ų | 35 | 14% | 0.139 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -63.8 | -14.3 | 171.4 | -175.6 | 0 | 0 | 0 | 0 | 112.3 | I1063 S1064 A1077 L1078 L1081 I1120 | I1063-V1066 WeakPolarHBondContact O-CB 3.49Å; I1063-V1066 WeakPolarHBondContact O-CG2 3.32Å; I1063-V1066 PolarHBondContact O-N 2.74Å; S1064-V1066 PolarHBondContact O-N 2.93Å; S1064-V1066 VanDerWaalsContact O-N 3.09Å; V1066-A1077 HydrophobicContact CG2-CB 3.96Å; V1066-L1078 HydrophobicContact CG1-CB 4.2Å; V1066-L1078 HydrophobicContact CG1-CD1 4.06Å; V1066-L1081 HydrophobicContact CG2-CD1 3.59Å; V1066-I1120 HydrophobicContact CB-CD1 4.48Å; V1066-I1120 HydrophobicContact CG1-CD1 3.89Å; V1066-I1120 HydrophobicContact CG2-CD1 4.11Å |
| 1067 | R | 81.8 | Confident | 87.1 | Confident | 73 Ų | 73 | 35 Ų | 35 | 28% | 0.275 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -124.7 | 34.8 | 176.1 | -66.7 | 172.8 | -69.4 | -147.5 | -10.4 | 112.3 | S1064 S1065 H1112 T1116 K1251 | S1064-R1067 PolarHBondContact O-N 2.88Å; S1065-R1067 PolarHBondContact O-N 3.11Å; S1065-R1067 VanDerWaalsContact O-N 3.14Å; R1067-H1112 PolarHBondContact NH1-CD2 3.44Å; R1067-H1112 PolarHBondContact NH2-CD2 3.28Å; R1067-H1112 VanDerWaalsContact NH2-CD2 3.3Å; R1067-T1116 PolarHBondContact NH1-OG1 2.9Å; R1067-T1116 PolarHBondContact NH2-OG1 3.09Å; R1067-K1251 WeakPolarHBondContact CD-O 3.35Å; R1067-K1251 PolarHBondContact NH1-O 2.81Å |
| 1068 | D | 86.6 | Confident | 87.3 | Confident | 32 Ų | 32 | 37.8 Ų | 37.8 | 17% | 0.171 | 21% | 0.212 | C | C | . | . | trans | -64.9 | 157.3 | 170.6 | -156.1 | -70.1 | 0 | 0 | 0 | 111 | R1026 S1065 D1070 L1073 | R1026-D1068 IonicContact CZ-OD1 3.11Å; R1026-D1068 IonicContact CZ-OD2 3.83Å; R1026-D1068 IonicContact NH1-OD1 2.69Å; R1026-D1068 PolarHBondContact NH1-OD1 3.13Å; R1026-D1068 IonicContact NH1-OD2 3.82Å; R1026-D1068 PolarHBondContact NH1-OD2 2.85Å; S1065-D1068 PolarHBondContact O-N 2.9Å; D1068-D1070 VanDerWaalsContact C-N 3.27Å; D1068-D1070 PolarHBondContact OD1-N 3.46Å; D1068-D1070 VanDerWaalsContact OD1-N 3.09Å; D1068-L1073 HydrophobicContact CB-CD2 3.71Å | ||
| 1069 | C | 78.9 | Confident | 87.3 | Confident | 115 Ų | 115 | 42.4 Ų | 42.4 | 78% | 0.777 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -71.1 | -24.6 | 175.7 | 58.1 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1070 | D | 83.6 | Confident | 87 | Confident | 48 Ų | 48 | 42.5 Ų | 42.5 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -82.1 | 118 | 168.3 | 179.9 | 62.8 | 0 | 0 | 0 | 111.5 | F1023 D1068 A1072 L1073 A1074 | F1023-D1070 HydrophobicContact CB-CB 4.47Å; D1068-D1070 VanDerWaalsContact C-N 3.27Å; D1068-D1070 PolarHBondContact OD1-N 3.46Å; D1068-D1070 VanDerWaalsContact OD1-N 3.09Å; D1070-A1072 VanDerWaalsContact C-N 3.29Å; D1070-A1072 PolarHBondContact O-N 2.88Å; D1070-A1072 WeakPolarHBondContact OD2-CB 2.98Å; D1070-A1072 PolarHBondContact OD2-N 3.15Å; D1070-L1073 HydrophobicContact CB-CB 4.08Å; D1070-L1073 PolarHBondContact O-N 2.87Å; D1070-L1073 WeakPolarHBondContact OD2-CB 3.44Å; D1070-L1073 PolarHBondContact OD2-N 3.08Å; D1070-A1074 WeakPolarHBondContact O-CB 3.31Å; D1070-A1074 PolarHBondContact O-N 3.25Å |
| 1071 | T | 86.9 | Confident | 87 | Confident | 96 Ų | 96 | 42.6 Ų | 42.6 | 59% | 0.589 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -63.5 | -32.7 | -177 | -49.4 | 0 | 0 | 0 | 0 | 112.7 | Q1075 | T1071-Q1075 WeakPolarHBondContact O-CB 3.41Å; T1071-Q1075 WeakPolarHBondContact O-CG 3.42Å; T1071-Q1075 PolarHBondContact O-N 2.92Å |
| 1072 | A | 86.1 | Confident | 86.9 | Confident | 56 Ų | 56 | 47 Ų | 47 | 46% | 0.463 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -72.7 | -41.9 | -179 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1070 Q1075 R1076 | D1070-A1072 VanDerWaalsContact C-N 3.29Å; D1070-A1072 PolarHBondContact O-N 2.88Å; D1070-A1072 WeakPolarHBondContact OD2-CB 2.98Å; D1070-A1072 PolarHBondContact OD2-N 3.15Å; A1072-Q1075 PolarHBondContact O-N 3.34Å; A1072-R1076 WeakPolarHBondContact O-CB 3.11Å; A1072-R1076 PolarHBondContact O-N 3.12Å |
| 1073 | L | 88.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 172.2 | -164.6 | 163.2 | 0 | 0 | 0 | 111.2 | R1026 F1027 V1030 D1068 D1070 Q1075 R1076 A1077 | R1026-L1073 HydrophobicContact CB-CD1 3.62Å; F1027-L1073 HydrophobicContact CB-CD1 4.08Å; F1027-L1073 HydrophobicContact CB-CG 4.29Å; F1027-L1073 HydrophobicContact CD2-CB 4.04Å; F1027-L1073 HydrophobicContact CD2-CG 4.16Å; V1030-L1073 HydrophobicContact CG2-CD2 3.7Å; V1030-L1073 HydrophobicContact CG2-CG 4.38Å; D1068-L1073 HydrophobicContact CB-CD2 3.71Å; D1070-L1073 HydrophobicContact CB-CB 4.08Å; D1070-L1073 PolarHBondContact O-N 2.87Å; D1070-L1073 WeakPolarHBondContact OD2-CB 3.44Å; D1070-L1073 PolarHBondContact OD2-N 3.08Å; L1073-Q1075 PolarHBondContact O-N 3.2Å; L1073-R1076 PolarHBondContact O-N 2.88Å; L1073-A1077 PolarHBondContact O-N 2.94Å |
| 1074 | A | 85.3 | Confident | 86.7 | Confident | 15 Ų | 15 | 51 Ų | 51 | 12% | 0.124 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59 | -45.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1065 D1070 A1077 L1078 | S1065-A1074 WeakPolarHBondContact O-CA 3.29Å; D1070-A1074 WeakPolarHBondContact O-CB 3.31Å; D1070-A1074 PolarHBondContact O-N 3.25Å; A1074-A1077 PolarHBondContact O-N 3.36Å; A1074-L1078 WeakPolarHBondContact O-CB 3.48Å; A1074-L1078 PolarHBondContact O-N 3.35Å |
| 1075 | Q | 88.8 | Confident | 86.8 | Confident | 119 Ų | 119 | 54.3 Ų | 54.3 | 56% | 0.556 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -65.5 | -38.9 | 174.6 | -73.3 | 180 | 1.8 | 0 | 0 | 112.5 | T1071 A1072 L1073 L1078 L1079 | T1071-Q1075 WeakPolarHBondContact O-CB 3.41Å; T1071-Q1075 WeakPolarHBondContact O-CG 3.42Å; T1071-Q1075 PolarHBondContact O-N 2.92Å; A1072-Q1075 PolarHBondContact O-N 3.34Å; L1073-Q1075 PolarHBondContact O-N 3.2Å; Q1075-L1078 PolarHBondContact O-N 3.11Å; Q1075-L1079 WeakPolarHBondContact O-CG 3.28Å; Q1075-L1079 PolarHBondContact O-N 3.17Å; Q1075-L1079 VanDerWaalsContact O-N 3.07Å |
| 1076 | R | 88.6 | Confident | 86.5 | Confident | 83 Ų | 83 | 56.9 Ų | 56.9 | 31% | 0.313 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 175.9 | 179.1 | 60.2 | 165.5 | 162.1 | -3.9 | 111.4 | S984 F1027 V1030 E1031 A1072 L1073 L1079 S1080 | S984-R1076 PolarHBondContact OG-NH2 2.8Å; F1027-R1076 HydrophobicContact CE1-CG 4.35Å; F1027-R1076 HydrophobicContact CE2-CB 3.73Å; F1027-R1076 HydrophobicContact CE2-CG 3.87Å; F1027-R1076 HydrophobicContact CZ-CB 4.04Å; F1027-R1076 HydrophobicContact CZ-CG 3.72Å; V1030-R1076 HydrophobicContact CG1-CG 4.34Å; E1031-R1076 IonicContact OE2-CZ 3.72Å; E1031-R1076 IonicContact OE2-NH2 3.11Å; E1031-R1076 PolarHBondContact OE2-NH2 3.47Å; A1072-R1076 WeakPolarHBondContact O-CB 3.11Å; A1072-R1076 PolarHBondContact O-N 3.12Å; L1073-R1076 PolarHBondContact O-N 2.88Å; R1076-L1079 PolarHBondContact O-N 3.44Å; R1076-S1080 VanDerWaalsContact O-CB 3.25Å; R1076-S1080 WeakPolarHBondContact O-CB 3.21Å; R1076-S1080 PolarHBondContact O-N 3.3Å |
| 1077 | A | 90 | Very high | 86.3 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.8 | -39 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1030 V1066 L1073 A1074 S1080 L1081 | V1030-A1077 HydrophobicContact CG1-CB 3.88Å; V1030-A1077 HydrophobicContact CG2-CB 4.46Å; V1066-A1077 HydrophobicContact CG2-CB 3.96Å; L1073-A1077 PolarHBondContact O-N 2.94Å; A1074-A1077 PolarHBondContact O-N 3.36Å; A1077-S1080 PolarHBondContact O-N 3.44Å; A1077-S1080 PolarHBondContact O-OG 2.98Å; A1077-L1081 WeakPolarHBondContact O-CG 3.48Å; A1077-L1081 PolarHBondContact O-N 3.44Å; A1077-L1081 VanDerWaalsContact O-N 3.12Å |
| 1078 | L | 89.9 | Confident | 86.6 | Confident | 64 Ų | 64 | 55.9 Ų | 55.9 | 34% | 0.335 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59 | -50.5 | 175.2 | 179.9 | 68 | 0 | 0 | 0 | 111.7 | V1066 A1074 Q1075 S1080 I1120 | V1066-L1078 HydrophobicContact CG1-CB 4.2Å; V1066-L1078 HydrophobicContact CG1-CD1 4.06Å; A1074-L1078 WeakPolarHBondContact O-CB 3.48Å; A1074-L1078 PolarHBondContact O-N 3.35Å; Q1075-L1078 PolarHBondContact O-N 3.11Å; L1078-S1080 VanDerWaalsContact C-N 3.35Å; L1078-I1120 HydrophobicContact CD1-CB 4.2Å; L1078-I1120 HydrophobicContact CD1-CD1 3.84Å; L1078-I1120 HydrophobicContact CD1-CG1 3.6Å; L1078-I1120 HydrophobicContact CD1-CG2 3.59Å |
| 1079 | L | 88.3 | Confident | 86.6 | Confident | 101 Ų | 101 | 55 Ų | 55 | 53% | 0.529 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.7 | -36.6 | 177.7 | -68.9 | 170.3 | 0 | 0 | 0 | 111.6 | Q1075 R1076 L1081 Q1082 | Q1075-L1079 WeakPolarHBondContact O-CG 3.28Å; Q1075-L1079 PolarHBondContact O-N 3.17Å; Q1075-L1079 VanDerWaalsContact O-N 3.07Å; R1076-L1079 PolarHBondContact O-N 3.44Å; L1079-L1081 PolarHBondContact O-N 2.96Å; L1079-Q1082 WeakPolarHBondContact O-CB 3.42Å; L1079-Q1082 PolarHBondContact O-N 3.38Å |
| 1080 | S | 87.3 | Confident | 86.9 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 3% | 0.028 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.3 | -38.4 | -176.9 | 91 | 0 | 0 | 0 | 0 | 112.2 | T1034 R1076 A1077 L1078 Q1082 T1083 | T1034-S1080 VanDerWaalsContact OG1-CB 3.23Å; T1034-S1080 WeakPolarHBondContact OG1-CB 3.47Å; T1034-S1080 PolarHBondContact OG1-OG 3.09Å; R1076-S1080 VanDerWaalsContact O-CB 3.25Å; R1076-S1080 WeakPolarHBondContact O-CB 3.21Å; R1076-S1080 PolarHBondContact O-N 3.3Å; A1077-S1080 PolarHBondContact O-N 3.44Å; A1077-S1080 PolarHBondContact O-OG 2.98Å; L1078-S1080 VanDerWaalsContact C-N 3.35Å; S1080-Q1082 VanDerWaalsContact C-N 3.25Å; S1080-Q1082 PolarHBondContact O-N 3.29Å; S1080-T1083 PolarHBondContact O-N 1.87Å; S1080-T1083 PolarHBondContact O-OG1 3.47Å |
| 1081 | L | 87.8 | Confident | 87 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.5 | -33.4 | 173 | -72.3 | 172.5 | 0 | 0 | 0 | 113.1 | F1059 L1062 I1063 V1066 A1077 L1079 T1083 I1084 L1117 I1120 | F1059-L1081 HydrophobicContact CE2-CD2 3.69Å; F1059-L1081 HydrophobicContact CZ-CD2 4.22Å; L1062-L1081 HydrophobicContact CD2-CD2 3.96Å; L1062-L1081 HydrophobicContact CG-CD2 4.08Å; I1063-L1081 HydrophobicContact CG1-CD1 4.36Å; I1063-L1081 HydrophobicContact CG1-CD2 4.07Å; V1066-L1081 HydrophobicContact CG2-CD1 3.59Å; A1077-L1081 WeakPolarHBondContact O-CG 3.48Å; A1077-L1081 PolarHBondContact O-N 3.44Å; A1077-L1081 VanDerWaalsContact O-N 3.12Å; L1079-L1081 PolarHBondContact O-N 2.96Å; L1081-T1083 VanDerWaalsContact C-N 3.26Å; L1081-T1083 PolarHBondContact O-N 2.89Å; L1081-I1084 HydrophobicContact CD2-CD1 4.11Å; L1081-I1084 PolarHBondContact O-N 3.19Å; L1081-L1117 HydrophobicContact CD1-CD1 4.45Å; L1081-L1117 HydrophobicContact CD2-CD1 4.46Å; L1081-I1120 HydrophobicContact CD1-CD1 4Å |
| 1082 | Q | 86.5 | Confident | 87.1 | Confident | 107 Ų | 107 | 50.6 Ų | 50.6 | 50% | 0.5 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -70.6 | -19 | 177.2 | -65.6 | 177.2 | -18.2 | 0 | 0 | 113.3 | L1079 S1080 I1120 L1121 | L1079-Q1082 WeakPolarHBondContact O-CB 3.42Å; L1079-Q1082 PolarHBondContact O-N 3.38Å; S1080-Q1082 VanDerWaalsContact C-N 3.25Å; S1080-Q1082 PolarHBondContact O-N 3.29Å; Q1082-I1120 HydrophobicContact CG-CG2 4.33Å; Q1082-L1121 HydrophobicContact CB-CD2 4.35Å; Q1082-L1121 HydrophobicContact CG-CD2 3.73Å |
| 1083 | T | 88 | Confident | 87.1 | Confident | 71 Ų | 71 | 48.3 Ų | 48.3 | 44% | 0.436 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -9.3 | 178.6 | 68 | 0 | 0 | 0 | 0 | 114.3 | W1038 S1080 L1081 K1085 | W1038-T1083 HydrophobicContact CZ2-CG2 4.44Å; W1038-T1083 WeakPolarHBondContact CZ2-OG1 3.24Å; W1038-T1083 PolarHBondContact NE1-OG1 3.43Å; S1080-T1083 PolarHBondContact O-N 1.87Å; S1080-T1083 PolarHBondContact O-OG1 3.47Å; L1081-T1083 VanDerWaalsContact C-N 3.26Å; L1081-T1083 PolarHBondContact O-N 2.89Å; T1083-K1085 PolarHBondContact O-N 2.93Å |
| 1084 | I | 87.9 | Confident | 86.9 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -75.9 | 125.2 | -173.7 | -57.5 | 177.6 | 0 | 0 | 0 | 110.6 | F1059 L1062 L1081 L1089 L1092 | F1059-I1084 HydrophobicContact CE2-CD1 3.91Å; L1062-I1084 HydrophobicContact CD2-CD1 4.35Å; L1081-I1084 HydrophobicContact CD2-CD1 4.11Å; L1081-I1084 PolarHBondContact O-N 3.19Å; I1084-L1089 HydrophobicContact CG2-CB 4.09Å; I1084-L1092 HydrophobicContact CD1-CD1 4.41Å; I1084-L1092 HydrophobicContact CG2-CD1 4.25Å |
| 1085 | K | 87 | Confident | 86.9 | Confident | 111 Ų | 111 | 51.7 Ų | 51.7 | 48% | 0.483 | 26% | 0.263 | S | S | . | . | trans | -55.6 | 138 | 177.6 | -62.6 | 167.9 | -172.7 | 158 | 0 | 111.2 | W1038 T1083 S1087 S1088 L1089 | W1038-K1085 PolarHBondContact O-NZ 3.46Å; T1083-K1085 PolarHBondContact O-N 2.93Å; K1085-S1087 PolarHBondContact O-N 2.92Å; K1085-S1087 VanDerWaalsContact O-N 3.11Å; K1085-S1088 PolarHBondContact O-N 2.91Å; K1085-L1089 PolarHBondContact O-N 2.87Å | ||
| 1086 | A | 81 | Confident | 86.8 | Confident | 61 Ų | 61 | 46 Ų | 46 | 50% | 0.504 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.1 | -29.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1090 | A1086-R1090 WeakPolarHBondContact O-CD 3.08Å; A1086-R1090 VanDerWaalsContact O-CG 3.26Å; A1086-R1090 WeakPolarHBondContact O-CG 3.26Å; A1086-R1090 PolarHBondContact O-N 3.14Å |
| 1087 | S | 84.2 | Confident | 86.7 | Confident | 73 Ų | 73 | 43.4 Ų | 43.4 | 51% | 0.51 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.5 | -48.5 | 172.5 | 46.9 | 0 | 0 | 0 | 0 | 112.1 | K1085 R1090 C1091 | K1085-S1087 PolarHBondContact O-N 2.92Å; K1085-S1087 VanDerWaalsContact O-N 3.11Å; S1087-R1090 PolarHBondContact O-N 2.99Å; S1087-C1091 PolarHBondContact O-N 3.09Å; S1087-C1091 PolarHBondContact O-SG 3.3Å |
| 1088 | S | 87.6 | Confident | 86.3 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.2 | -42.9 | 177.7 | -50.2 | 0 | 0 | 0 | 0 | 111.2 | S1037 K1085 R1090 C1091 L1092 | S1037-S1088 WeakPolarHBondContact O-CB 3.41Å; K1085-S1088 PolarHBondContact O-N 2.91Å; S1088-R1090 VanDerWaalsContact C-N 3.34Å; S1088-R1090 PolarHBondContact O-N 3.15Å; S1088-C1091 WeakPolarHBondContact O-CB 3.31Å; S1088-C1091 PolarHBondContact O-N 3.14Å; S1088-L1092 WeakPolarHBondContact O-CG 3.27Å; S1088-L1092 PolarHBondContact O-N 3.02Å |
| 1089 | L | 86.9 | Confident | 86.1 | Confident | 13 Ų | 13 | 41.8 Ų | 41.8 | 7% | 0.068 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.9 | -41.7 | 176.1 | -175.7 | 63.5 | 0 | 0 | 0 | 112.3 | F1059 I1084 K1085 C1091 L1092 C1093 L1117 L1121 A1124 V1126 | F1059-L1089 HydrophobicContact CZ-CD1 3.93Å; I1084-L1089 HydrophobicContact CG2-CB 4.09Å; K1085-L1089 PolarHBondContact O-N 2.87Å; L1089-C1091 VanDerWaalsContact C-N 3.33Å; L1089-C1091 PolarHBondContact O-N 2.88Å; L1089-L1092 PolarHBondContact O-N 3.34Å; L1089-C1093 PolarHBondContact O-N 2.8Å; L1089-C1093 PolarHBondContact O-SG 2.69Å; L1089-L1117 HydrophobicContact CD1-CD2 4.38Å; L1089-L1121 HydrophobicContact CD1-CD1 4.49Å; L1089-L1121 HydrophobicContact CD2-CD1 3.76Å; L1089-A1124 HydrophobicContact CD2-CB 4.02Å; L1089-V1126 HydrophobicContact CD2-CG2 4.48Å |
| 1090 | R | 84.4 | Confident | 85.8 | Confident | 160 Ų | 160 | 37 Ų | 37 | 60% | 0.604 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -61.8 | -39.2 | 173.6 | -74.7 | 169.1 | -175.7 | 144.9 | 1 | 112.2 | A1086 S1087 S1088 L1094 | A1086-R1090 WeakPolarHBondContact O-CD 3.08Å; A1086-R1090 VanDerWaalsContact O-CG 3.26Å; A1086-R1090 WeakPolarHBondContact O-CG 3.26Å; A1086-R1090 PolarHBondContact O-N 3.14Å; S1087-R1090 PolarHBondContact O-N 2.99Å; S1088-R1090 VanDerWaalsContact C-N 3.34Å; S1088-R1090 PolarHBondContact O-N 3.15Å; R1090-L1094 VanDerWaalsContact O-CG 3.31Å; R1090-L1094 WeakPolarHBondContact O-CG 3.47Å; R1090-L1094 PolarHBondContact O-N 3.33Å; R1090-L1094 VanDerWaalsContact O-N 3.07Å |
| 1091 | C | 85.5 | Confident | 85.4 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.9 | -39.1 | 177.2 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | I1040 Q1042 I1045 S1087 S1088 L1089 L1094 A1095 | I1040-C1091 HydrophobicContact CG2-CB 4.12Å; Q1042-C1091 WeakPolarHBondContact CB-SG 3.35Å; Q1042-C1091 VanDerWaalsContact CG-SG 3.5Å; I1045-C1091 HydrophobicContact CD1-CB 4.5Å; S1087-C1091 PolarHBondContact O-N 3.09Å; S1087-C1091 PolarHBondContact O-SG 3.3Å; S1088-C1091 WeakPolarHBondContact O-CB 3.31Å; S1088-C1091 PolarHBondContact O-N 3.14Å; L1089-C1091 VanDerWaalsContact C-N 3.33Å; L1089-C1091 PolarHBondContact O-N 2.88Å; C1091-L1094 PolarHBondContact O-N 3.5Å; C1091-A1095 PolarHBondContact O-N 3.33Å |
| 1092 | L | 88.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.8 | -44.1 | 174.6 | -70.2 | 172 | 0 | 0 | 0 | 112.1 | I1040 V1055 F1059 I1084 S1088 L1089 L1094 A1095 L1096 | I1040-L1092 HydrophobicContact CD1-CD1 4.22Å; I1040-L1092 HydrophobicContact CD1-CD2 3.5Å; I1040-L1092 HydrophobicContact CD1-CG 3.86Å; V1055-L1092 HydrophobicContact CG1-CD2 3.37Å; F1059-L1092 HydrophobicContact CB-CD2 4.17Å; F1059-L1092 HydrophobicContact CD1-CB 3.73Å; F1059-L1092 HydrophobicContact CD1-CD1 4.4Å; F1059-L1092 HydrophobicContact CD1-CD2 4.35Å; F1059-L1092 HydrophobicContact CD1-CG 4.38Å; F1059-L1092 HydrophobicContact CD2-CD1 3.9Å; F1059-L1092 HydrophobicContact CD2-CD2 4.49Å; F1059-L1092 HydrophobicContact CE1-CB 3.67Å; F1059-L1092 HydrophobicContact CE1-CD1 4.29Å; F1059-L1092 HydrophobicContact CE2-CD1 3.8Å; F1059-L1092 HydrophobicContact CG-CB 4.27Å; F1059-L1092 HydrophobicContact CG-CD1 4.22Å; F1059-L1092 HydrophobicContact CG-CD2 4.11Å; F1059-L1092 HydrophobicContact CG-CG 4.44Å; F1059-L1092 HydrophobicContact CZ-CB 4.17Å; F1059-L1092 HydrophobicContact CZ-CD1 4.01Å; I1084-L1092 HydrophobicContact CD1-CD1 4.41Å; I1084-L1092 HydrophobicContact CG2-CD1 4.25Å; S1088-L1092 WeakPolarHBondContact O-CG 3.27Å; S1088-L1092 PolarHBondContact O-N 3.02Å; L1089-L1092 PolarHBondContact O-N 3.34Å; L1092-L1094 PolarHBondContact O-N 3.23Å; L1092-A1095 WeakPolarHBondContact O-CB 3.33Å; L1092-A1095 PolarHBondContact O-N 3.41Å; L1092-A1095 VanDerWaalsContact O-N 3.16Å; L1092-L1096 WeakPolarHBondContact O-CG 3.43Å; L1092-L1096 PolarHBondContact O-N 2.81Å |
| 1093 | C | 87.3 | Confident | 84.6 | Confident | 8 Ų | 8 | 33 Ų | 33 | 5% | 0.054 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.5 | -42.6 | 175.5 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | L1089 A1095 L1096 E1097 F1114 | L1089-C1093 PolarHBondContact O-N 2.8Å; L1089-C1093 PolarHBondContact O-SG 2.69Å; C1093-A1095 VanDerWaalsContact C-N 3.3Å; C1093-A1095 PolarHBondContact O-N 2.61Å; C1093-L1096 WeakPolarHBondContact O-CB 3.3Å; C1093-L1096 PolarHBondContact O-N 2.89Å; C1093-E1097 WeakPolarHBondContact O-CG 3.24Å; C1093-E1097 PolarHBondContact O-N 3.2Å; C1093-F1114 HydrophobicContact CB-CE1 4.32Å |
| 1094 | L | 83.9 | Confident | 83.9 | Confident | 85 Ų | 85 | 31 Ų | 31 | 45% | 0.445 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.8 | -35.6 | 174.2 | -72.2 | 170.1 | 0 | 0 | 0 | 112.7 | R1090 C1091 L1092 H1098 | R1090-L1094 VanDerWaalsContact O-CG 3.31Å; R1090-L1094 WeakPolarHBondContact O-CG 3.47Å; R1090-L1094 PolarHBondContact O-N 3.33Å; R1090-L1094 VanDerWaalsContact O-N 3.07Å; C1091-L1094 PolarHBondContact O-N 3.5Å; L1092-L1094 PolarHBondContact O-N 3.23Å; L1094-H1098 WeakPolarHBondContact O-CB 3.13Å; L1094-H1098 PolarHBondContact O-N 3.2Å |
| 1095 | A | 86.3 | Confident | 83.2 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.3 | -39 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | A1056 C1091 L1092 C1093 H1098 Q1099 | A1056-A1095 HydrophobicContact CB-CB 4.04Å; C1091-A1095 PolarHBondContact O-N 3.33Å; L1092-A1095 WeakPolarHBondContact O-CB 3.33Å; L1092-A1095 PolarHBondContact O-N 3.41Å; L1092-A1095 VanDerWaalsContact O-N 3.16Å; C1093-A1095 VanDerWaalsContact C-N 3.3Å; C1093-A1095 PolarHBondContact O-N 2.61Å; A1095-H1098 PolarHBondContact O-N 3.01Å; A1095-Q1099 PolarHBondContact O-N 2.81Å |
| 1096 | L | 86.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.7 | -42.4 | 172.3 | -64.7 | -177.8 | 0 | 0 | 0 | 112.6 | A1056 F1059 I1060 I1063 L1092 C1093 H1098 Q1099 F1100 I1110 F1114 | A1056-L1096 HydrophobicContact CB-CD2 4.24Å; F1059-L1096 HydrophobicContact CD1-CD1 3.7Å; F1059-L1096 HydrophobicContact CD1-CD2 4.19Å; F1059-L1096 HydrophobicContact CD1-CG 3.97Å; F1059-L1096 HydrophobicContact CE1-CD1 3.85Å; I1060-L1096 HydrophobicContact CD1-CD2 3.71Å; I1060-L1096 HydrophobicContact CG1-CD2 3.45Å; I1060-L1096 VanDerWaalsContact CG1-CD2 3.45Å; I1063-L1096 HydrophobicContact CD1-CD1 4.25Å; L1092-L1096 WeakPolarHBondContact O-CG 3.43Å; L1092-L1096 PolarHBondContact O-N 2.81Å; C1093-L1096 WeakPolarHBondContact O-CB 3.3Å; C1093-L1096 PolarHBondContact O-N 2.89Å; L1096-H1098 VanDerWaalsContact C-N 3.28Å; L1096-H1098 PolarHBondContact O-N 3.3Å; L1096-Q1099 PolarHBondContact O-N 2.89Å; L1096-F1100 PolarHBondContact O-N 3.49Å; L1096-I1110 HydrophobicContact CB-CG2 4.31Å; L1096-F1114 HydrophobicContact CB-CE2 3.86Å; L1096-F1114 HydrophobicContact CB-CZ 3.85Å; L1096-F1114 HydrophobicContact CD1-CE2 4.28Å; L1096-F1114 HydrophobicContact CD1-CZ 4.14Å |
| 1097 | E | 85.2 | Confident | 83.1 | Confident | 28 Ų | 28 | 24.4 Ų | 24.4 | 13% | 0.131 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.5 | -38 | 175.1 | -75.2 | 175.3 | -135.4 | 0 | 0 | 111.6 | C1093 F1100 D1101 F1114 F1131 R1135 | C1093-E1097 WeakPolarHBondContact O-CG 3.24Å; C1093-E1097 PolarHBondContact O-N 3.2Å; E1097-F1100 PolarHBondContact O-N 2.89Å; E1097-D1101 PolarHBondContact O-N 3.25Å; E1097-F1114 HydrophobicContact CG-CZ 4.09Å; E1097-F1131 HydrophobicContact CG-CD2 3.89Å; E1097-F1131 HydrophobicContact CG-CE2 4.16Å; E1097-R1135 PolarHBondContact O-NH1 3.39Å |
| 1098 | H | 82.2 | Confident | 82.9 | Confident | 29 Ų | 29 | 21.3 Ų | 21.3 | 13% | 0.134 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.1 | -47.2 | 174.3 | -170.6 | 90.6 | 0 | 0 | 0 | 112 | L1049 L1094 A1095 L1096 F1100 D1101 A1102 L1177 | L1049-H1098 VanDerWaalsContact CD2-CE1 3.5Å; L1049-H1098 WeakPolarHBondContact CD2-CE1 3.47Å; L1094-H1098 WeakPolarHBondContact O-CB 3.13Å; L1094-H1098 PolarHBondContact O-N 3.2Å; A1095-H1098 PolarHBondContact O-N 3.01Å; L1096-H1098 VanDerWaalsContact C-N 3.28Å; L1096-H1098 PolarHBondContact O-N 3.3Å; H1098-F1100 VanDerWaalsContact C-N 3.27Å; H1098-F1100 PolarHBondContact O-N 3.44Å; H1098-D1101 PolarHBondContact O-N 3.02Å; H1098-D1101 VanDerWaalsContact O-N 3.15Å; H1098-A1102 WeakPolarHBondContact O-CB 3.5Å; H1098-A1102 PolarHBondContact O-N 3.39Å; H1098-L1177 VanDerWaalsContact CE1-CD2 3.42Å; H1098-L1177 WeakPolarHBondContact CE1-CD2 3.33Å |
| 1099 | Q | 85.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.9 | -36.9 | 176.2 | -172.5 | 72.1 | 7.7 | 0 | 0 | 111.5 | A1056 N1057 A1095 L1096 V1103 D1106 I1110 R1185 | A1056-Q1099 HydrophobicContact CB-CB 4.04Å; N1057-Q1099 PolarHBondContact OD1-NE2 3.16Å; A1095-Q1099 PolarHBondContact O-N 2.81Å; L1096-Q1099 PolarHBondContact O-N 2.89Å; Q1099-V1103 WeakPolarHBondContact O-CB 3.28Å; Q1099-V1103 PolarHBondContact O-N 2.97Å; Q1099-D1106 PolarHBondContact NE2-OD2 3.45Å; Q1099-I1110 HydrophobicContact CB-CD1 3.92Å; Q1099-I1110 HydrophobicContact CG-CD1 3.75Å; Q1099-R1185 PolarHBondContact NE2-O 3.42Å |
| 1100 | F | 83.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.9 | -38.6 | 175 | -178.5 | -79.6 | 0 | 0 | 0 | 113.1 | L1096 E1097 H1098 R1107 I1110 M1111 | L1096-F1100 PolarHBondContact O-N 3.49Å; E1097-F1100 PolarHBondContact O-N 2.89Å; H1098-F1100 VanDerWaalsContact C-N 3.27Å; H1098-F1100 PolarHBondContact O-N 3.44Å; F1100-R1107 HydrophobicContact CD1-CG 4.22Å; F1100-R1107 HydrophobicContact CD2-CB 3.72Å; F1100-R1107 HydrophobicContact CD2-CG 3.6Å; F1100-R1107 HydrophobicContact CE1-CG 4.21Å; F1100-R1107 HydrophobicContact CE2-CB 3.43Å; F1100-R1107 VanDerWaalsContact CE2-CB 3.43Å; F1100-R1107 HydrophobicContact CE2-CG 3.56Å; F1100-R1107 HydrophobicContact CG-CG 3.93Å; F1100-R1107 HydrophobicContact CZ-CB 4.08Å; F1100-R1107 HydrophobicContact CZ-CG 3.89Å; F1100-R1107 WeakPolarHBondContact O-CG 3.3Å; F1100-R1107 PolarHBondContact O-NE 2.87Å; F1100-I1110 HydrophobicContact CB-CD1 4.06Å; F1100-I1110 HydrophobicContact CB-CG2 4.17Å; F1100-I1110 HydrophobicContact CD2-CB 4.32Å; F1100-I1110 HydrophobicContact CD2-CG2 4.2Å; F1100-M1111 HydrophobicContact CD1-CE 4.45Å; F1100-M1111 HydrophobicContact CD2-CE 3.52Å; F1100-M1111 HydrophobicContact CD2-CG 4.13Å; F1100-M1111 HydrophobicContact CE1-CE 4.24Å; F1100-M1111 HydrophobicContact CE2-CE 3.26Å; F1100-M1111 HydrophobicContact CE2-CG 3.55Å; F1100-M1111 HydrophobicContact CE2-SD 4.27Å; F1100-M1111 HydrophobicContact CG-CE 4.14Å; F1100-M1111 HydrophobicContact CZ-CE 3.66Å; F1100-M1111 HydrophobicContact CZ-CG 4.45Å |
| 1101 | D | 78.6 | Confident | 82.3 | Confident | 16 Ų | 16 | 14.4 Ų | 14.4 | 9% | 0.086 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -72.5 | -42 | 177.4 | -74.8 | -30.1 | 0 | 0 | 0 | 111.8 | E1097 H1098 R1135 L1177 I1178 | E1097-D1101 PolarHBondContact O-N 3.25Å; H1098-D1101 PolarHBondContact O-N 3.02Å; H1098-D1101 VanDerWaalsContact O-N 3.15Å; D1101-R1135 IonicContact OD1-CZ 3.11Å; D1101-R1135 VanDerWaalsContact OD1-CZ 3.28Å; D1101-R1135 IonicContact OD1-NH1 2.64Å; D1101-R1135 PolarHBondContact OD1-NH1 3.39Å; D1101-R1135 IonicContact OD1-NH2 2.71Å; D1101-R1135 IonicContact OD2-CZ 2.7Å; D1101-R1135 VanDerWaalsContact OD2-CZ 3.22Å; D1101-R1135 IonicContact OD2-NH1 2.64Å; D1101-R1135 PolarHBondContact OD2-NH1 2.98Å; D1101-R1135 IonicContact OD2-NH2 2.71Å; D1101-R1135 PolarHBondContact OD2-NH2 3.19Å; D1101-L1177 HydrophobicContact CB-CD1 3.93Å; D1101-I1178 WeakPolarHBondContact O-CG1 3.06Å |
| 1102 | A | 77.5 | Confident | 82 | Confident | 7 Ų | 7 | 14.9 Ų | 14.9 | 6% | 0.058 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -80.4 | -35.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | H1098 L1184 | H1098-A1102 WeakPolarHBondContact O-CB 3.5Å; H1098-A1102 PolarHBondContact O-N 3.39Å; A1102-L1184 HydrophobicContact CB-CD1 3.81Å |
| 1103 | V | 78.9 | Confident | 81.9 | Confident | 7 Ų | 7 | 14.9 Ų | 14.9 | 4% | 0.042 | 8% | 0.078 | C | C | . | . | trans | -120.8 | 99.7 | -172.7 | -175.2 | 0 | 0 | 0 | 0 | 110.8 | Q1099 E1105 D1106 L1184 | Q1099-V1103 WeakPolarHBondContact O-CB 3.28Å; Q1099-V1103 PolarHBondContact O-N 2.97Å; V1103-E1105 VanDerWaalsContact C-N 3.26Å; V1103-E1105 HydrophobicContact CG1-CB 4.44Å; V1103-E1105 PolarHBondContact O-N 2.76Å; V1103-D1106 HydrophobicContact CB-CB 4.4Å; V1103-D1106 HydrophobicContact CG1-CB 4.06Å; V1103-D1106 PolarHBondContact O-N 2.97Å; V1103-L1184 HydrophobicContact CG2-CB 4.07Å | ||
| 1104 | V | 72.8 | Confident | 81.9 | Confident | 28 Ų | 28 | 14.6 Ų | 14.6 | 17% | 0.17 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -62.5 | -33.6 | -175.7 | -177.2 | 0 | 0 | 0 | 0 | 112.1 | D1106 R1107 I1178 C1283 | V1104-D1106 VanDerWaalsContact C-N 3.34Å; V1104-D1106 PolarHBondContact O-N 3.24Å; V1104-R1107 WeakPolarHBondContact O-CB 3.11Å; V1104-R1107 WeakPolarHBondContact O-CG 3.31Å; V1104-I1178 HydrophobicContact CG2-CD1 4.2Å; V1104-I1178 HydrophobicContact CG2-CG1 4.46Å; V1104-C1283 PolarHBondContact O-SG 2.91Å |
| 1105 | E | 73.2 | Confident | 81.7 | Confident | 48 Ų | 48 | 12.1 Ų | 12.1 | 22% | 0.224 | 6% | 0.063 | C | C | . | . | G | 310 helix | trans | -67.7 | -28.8 | -179.5 | -65.5 | 91.2 | 153.9 | 0 | 0 | 113.9 | V1103 Y1188 R1189 | V1103-E1105 VanDerWaalsContact C-N 3.26Å; V1103-E1105 HydrophobicContact CG1-CB 4.44Å; V1103-E1105 PolarHBondContact O-N 2.76Å; E1105-Y1188 HydrophobicContact CB-CD1 4.21Å; E1105-Y1188 WeakPolarHBondContact O-CB 3.37Å; E1105-R1189 VanDerWaalsContact CD-NH2 3.3Å; E1105-R1189 IonicContact OE1-CZ 3.57Å; E1105-R1189 IonicContact OE1-NH2 1.87Å; E1105-R1189 PolarHBondContact OE1-NH2 2.79Å; E1105-R1189 IonicContact OE2-NH2 2.66Å |
| 1106 | D | 82.5 | Confident | 81.5 | Confident | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | G | 310 helix | trans | -88.7 | -6.6 | -176.2 | -68.7 | -3 | 0 | 0 | 0 | 112.5 | Q1099 V1103 V1104 S1108 L1109 I1110 S1186 I1187 Y1188 | Q1099-D1106 PolarHBondContact NE2-OD2 3.45Å; V1103-D1106 HydrophobicContact CB-CB 4.4Å; V1103-D1106 HydrophobicContact CG1-CB 4.06Å; V1103-D1106 PolarHBondContact O-N 2.97Å; V1104-D1106 VanDerWaalsContact C-N 3.34Å; V1104-D1106 PolarHBondContact O-N 3.24Å; D1106-S1108 PolarHBondContact O-N 3.47Å; D1106-L1109 WeakPolarHBondContact O-CB 3.47Å; D1106-L1109 PolarHBondContact O-N 2.76Å; D1106-I1110 HydrophobicContact CB-CD1 3.88Å; D1106-I1110 HydrophobicContact CB-CG1 4.44Å; D1106-I1110 VanDerWaalsContact O-CG1 3.32Å; D1106-I1110 WeakPolarHBondContact O-CG1 3.47Å; D1106-I1110 PolarHBondContact O-N 3.37Å; D1106-S1186 WeakPolarHBondContact OD1-CA 3.42Å; D1106-S1186 WeakPolarHBondContact OD1-CB 3.33Å; D1106-S1186 PolarHBondContact OD1-OG 3.04Å; D1106-S1186 WeakPolarHBondContact OD2-CA 3.43Å; D1106-I1187 PolarHBondContact OD1-N 3.43Å; D1106-I1187 PolarHBondContact OD2-N 3.43Å; D1106-Y1188 WeakPolarHBondContact OD1-CB 3.37Å; D1106-Y1188 PolarHBondContact OD1-N 3.28Å |
| 1107 | R | 84.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -58.6 | -42.5 | -171.3 | -73.4 | -176.7 | 174.7 | 175.6 | -0.2 | 114.8 | F1100 V1104 I1110 M1111 E1142 S1287 | F1100-R1107 HydrophobicContact CD1-CG 4.22Å; F1100-R1107 HydrophobicContact CD2-CB 3.72Å; F1100-R1107 HydrophobicContact CD2-CG 3.6Å; F1100-R1107 HydrophobicContact CE1-CG 4.21Å; F1100-R1107 HydrophobicContact CE2-CB 3.43Å; F1100-R1107 VanDerWaalsContact CE2-CB 3.43Å; F1100-R1107 HydrophobicContact CE2-CG 3.56Å; F1100-R1107 HydrophobicContact CG-CG 3.93Å; F1100-R1107 HydrophobicContact CZ-CB 4.08Å; F1100-R1107 HydrophobicContact CZ-CG 3.89Å; F1100-R1107 WeakPolarHBondContact O-CG 3.3Å; F1100-R1107 PolarHBondContact O-NE 2.87Å; V1104-R1107 WeakPolarHBondContact O-CB 3.11Å; V1104-R1107 WeakPolarHBondContact O-CG 3.31Å; R1107-I1110 PolarHBondContact O-N 3.41Å; R1107-M1111 WeakPolarHBondContact O-CG 3.39Å; R1107-M1111 PolarHBondContact O-N 3Å; R1107-E1142 IonicContact CZ-OE1 3.14Å; R1107-E1142 IonicContact CZ-OE2 2.94Å; R1107-E1142 VanDerWaalsContact NH1-CD 3.27Å; R1107-E1142 IonicContact NH1-OE1 2.58Å; R1107-E1142 PolarHBondContact NH1-OE1 2.84Å; R1107-E1142 IonicContact NH1-OE2 1.9Å; R1107-E1142 PolarHBondContact NH1-OE2 3.27Å; R1107-E1142 IonicContact NH2-OE1 2.68Å; R1107-E1142 PolarHBondContact NH2-OE1 2.96Å; R1107-E1142 IonicContact NH2-OE2 3.86Å; R1107-S1287 WeakPolarHBondContact CB-OG 3.09Å |
| 1108 | S | 79.9 | Confident | 81 | Confident | 8 Ų | 8 | 12.2 Ų | 12.2 | 6% | 0.056 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -65 | -45.1 | 178.7 | 56.1 | 0 | 0 | 0 | 0 | 111.3 | D1106 M1111 H1112 | D1106-S1108 PolarHBondContact O-N 3.47Å; S1108-M1111 PolarHBondContact O-N 3.46Å; S1108-H1112 WeakPolarHBondContact O-CB 3.43Å; S1108-H1112 PolarHBondContact O-N 3.1Å; S1108-H1112 VanDerWaalsContact O-N 3.08Å |
| 1109 | L | 79.5 | Confident | 80.7 | Confident | 28 Ų | 28 | 14.5 Ų | 14.5 | 15% | 0.147 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.8 | -49.5 | 175.3 | -176.2 | 63.5 | 0 | 0 | 0 | 110.8 | I1060 D1106 M1111 H1112 Q1113 I1187 L1191 | I1060-L1109 HydrophobicContact CG2-CD2 3.64Å; I1060-L1109 HydrophobicContact CG2-CG 3.9Å; D1106-L1109 WeakPolarHBondContact O-CB 3.47Å; D1106-L1109 PolarHBondContact O-N 2.76Å; L1109-M1111 PolarHBondContact O-N 2.66Å; L1109-H1112 WeakPolarHBondContact O-CB 3.36Å; L1109-H1112 PolarHBondContact O-N 2.9Å; L1109-Q1113 VanDerWaalsContact CD1-NE2 3.33Å; L1109-Q1113 WeakPolarHBondContact O-CG 3.41Å; L1109-Q1113 PolarHBondContact O-N 2.99Å; L1109-I1187 HydrophobicContact CD2-CB 4.27Å; L1109-I1187 HydrophobicContact CD2-CG2 4.02Å; L1109-L1191 HydrophobicContact CD2-CD1 4.49Å |
| 1110 | I | 84.4 | Confident | 80.5 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | -179.8 | -68.7 | 164 | 0 | 0 | 0 | 111.9 | I1060 L1096 Q1099 F1100 D1106 R1107 H1112 Q1113 F1114 | I1060-I1110 HydrophobicContact CD1-CD1 4.3Å; I1060-I1110 HydrophobicContact CD1-CG1 3.71Å; I1060-I1110 HydrophobicContact CG1-CG1 4.48Å; L1096-I1110 HydrophobicContact CB-CG2 4.31Å; Q1099-I1110 HydrophobicContact CB-CD1 3.92Å; Q1099-I1110 HydrophobicContact CG-CD1 3.75Å; F1100-I1110 HydrophobicContact CB-CD1 4.06Å; F1100-I1110 HydrophobicContact CB-CG2 4.17Å; F1100-I1110 HydrophobicContact CD2-CB 4.32Å; F1100-I1110 HydrophobicContact CD2-CG2 4.2Å; D1106-I1110 HydrophobicContact CB-CD1 3.88Å; D1106-I1110 HydrophobicContact CB-CG1 4.44Å; D1106-I1110 VanDerWaalsContact O-CG1 3.32Å; D1106-I1110 WeakPolarHBondContact O-CG1 3.47Å; D1106-I1110 PolarHBondContact O-N 3.37Å; R1107-I1110 PolarHBondContact O-N 3.41Å; I1110-H1112 VanDerWaalsContact C-N 3.25Å; I1110-H1112 PolarHBondContact O-N 3.04Å; I1110-Q1113 WeakPolarHBondContact O-CB 3.37Å; I1110-Q1113 PolarHBondContact O-N 3.39Å; I1110-Q1113 VanDerWaalsContact O-N 3.08Å; I1110-F1114 HydrophobicContact CG2-CD2 3.72Å; I1110-F1114 HydrophobicContact CG2-CE2 3.6Å; I1110-F1114 WeakPolarHBondContact O-CD2 3.43Å; I1110-F1114 PolarHBondContact O-N 2.97Å |
| 1111 | M | 82.7 | Confident | 80.4 | Confident | 3 Ų | 3 | 16.6 Ų | 16.6 | 2% | 0.015 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.4 | -34.1 | 177.5 | -75.2 | -66.4 | 154.3 | 0 | 0 | 112.3 | F1100 R1107 S1108 L1109 F1114 L1115 F1131 R1135 L1290 V1291 L1294 | F1100-M1111 HydrophobicContact CD1-CE 4.45Å; F1100-M1111 HydrophobicContact CD2-CE 3.52Å; F1100-M1111 HydrophobicContact CD2-CG 4.13Å; F1100-M1111 HydrophobicContact CE1-CE 4.24Å; F1100-M1111 HydrophobicContact CE2-CE 3.26Å; F1100-M1111 HydrophobicContact CE2-CG 3.55Å; F1100-M1111 HydrophobicContact CE2-SD 4.27Å; F1100-M1111 HydrophobicContact CG-CE 4.14Å; F1100-M1111 HydrophobicContact CZ-CE 3.66Å; F1100-M1111 HydrophobicContact CZ-CG 4.45Å; R1107-M1111 WeakPolarHBondContact O-CG 3.39Å; R1107-M1111 PolarHBondContact O-N 3Å; S1108-M1111 PolarHBondContact O-N 3.46Å; L1109-M1111 PolarHBondContact O-N 2.66Å; M1111-F1114 PolarHBondContact O-N 3.39Å; M1111-L1115 WeakPolarHBondContact O-CB 3.38Å; M1111-L1115 PolarHBondContact O-N 2.88Å; M1111-F1131 HydrophobicContact CE-CE2 4.22Å; M1111-F1131 HydrophobicContact CE-CZ 3.67Å; M1111-F1131 HydrophobicContact SD-CZ 3.99Å; M1111-R1135 HydrophobicContact CE-CG 3.95Å; M1111-L1290 HydrophobicContact CB-CB 3.88Å; M1111-L1290 HydrophobicContact CB-CD1 4.24Å; M1111-V1291 HydrophobicContact CE-CG2 3.8Å; M1111-V1291 HydrophobicContact CG-CG2 4.08Å; M1111-V1291 HydrophobicContact SD-CG2 3.62Å; M1111-L1294 HydrophobicContact SD-CD2 4.06Å |
| 1112 | H | 79.8 | Confident | 79.8 | Confident | 16 Ų | 16 | 19.4 Ų | 19.4 | 7% | 0.074 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.6 | -36.4 | 173 | -162.8 | 61.7 | 0 | 0 | 0 | 112.4 | R1067 S1108 L1109 I1110 L1115 T1116 L1250 | R1067-H1112 PolarHBondContact NH1-CD2 3.44Å; R1067-H1112 PolarHBondContact NH2-CD2 3.28Å; R1067-H1112 VanDerWaalsContact NH2-CD2 3.3Å; S1108-H1112 WeakPolarHBondContact O-CB 3.43Å; S1108-H1112 PolarHBondContact O-N 3.1Å; S1108-H1112 VanDerWaalsContact O-N 3.08Å; L1109-H1112 WeakPolarHBondContact O-CB 3.36Å; L1109-H1112 PolarHBondContact O-N 2.9Å; I1110-H1112 VanDerWaalsContact C-N 3.25Å; I1110-H1112 PolarHBondContact O-N 3.04Å; H1112-L1115 PolarHBondContact O-N 2.83Å; H1112-T1116 WeakPolarHBondContact O-CB 3.34Å; H1112-T1116 PolarHBondContact O-N 2.96Å; H1112-T1116 PolarHBondContact O-OG1 2.95Å; H1112-L1250 PolarHBondContact NE2-O 3.42Å |
| 1113 | Q | 86.3 | Confident | 79.3 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.8 | -42 | 171.1 | -54.6 | -41.6 | -23.4 | 0 | 0 | 111.8 | I1060 I1063 S1064 L1109 I1110 L1115 T1116 L1117 | I1060-Q1113 HydrophobicContact CG1-CG 4.33Å; I1060-Q1113 HydrophobicContact CG2-CG 4.15Å; I1063-Q1113 HydrophobicContact CB-CB 4.22Å; I1063-Q1113 HydrophobicContact CB-CG 4.34Å; I1063-Q1113 HydrophobicContact CD1-CB 3.89Å; I1063-Q1113 HydrophobicContact CG2-CB 4.01Å; I1063-Q1113 HydrophobicContact CG2-CG 4.46Å; S1064-Q1113 PolarHBondContact OG-NE2 3.37Å; L1109-Q1113 VanDerWaalsContact CD1-NE2 3.33Å; L1109-Q1113 WeakPolarHBondContact O-CG 3.41Å; L1109-Q1113 PolarHBondContact O-N 2.99Å; I1110-Q1113 WeakPolarHBondContact O-CB 3.37Å; I1110-Q1113 PolarHBondContact O-N 3.39Å; I1110-Q1113 VanDerWaalsContact O-N 3.08Å; Q1113-L1115 PolarHBondContact O-N 3.25Å; Q1113-T1116 WeakPolarHBondContact O-CB 3.32Å; Q1113-T1116 PolarHBondContact O-N 3.16Å; Q1113-L1117 VanDerWaalsContact O-CB 3.28Å; Q1113-L1117 WeakPolarHBondContact O-CB 3.23Å; Q1113-L1117 PolarHBondContact O-N 2.89Å |
| 1114 | F | 86.3 | Confident | 78.7 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.4 | -39 | 173.2 | -83.1 | -69.6 | 0 | 0 | 0 | 113 | C1093 L1096 E1097 I1110 M1111 T1116 S1118 V1126 L1127 F1131 L1294 | C1093-F1114 HydrophobicContact CB-CE1 4.32Å; L1096-F1114 HydrophobicContact CB-CE2 3.86Å; L1096-F1114 HydrophobicContact CB-CZ 3.85Å; L1096-F1114 HydrophobicContact CD1-CE2 4.28Å; L1096-F1114 HydrophobicContact CD1-CZ 4.14Å; E1097-F1114 HydrophobicContact CG-CZ 4.09Å; I1110-F1114 HydrophobicContact CG2-CD2 3.72Å; I1110-F1114 HydrophobicContact CG2-CE2 3.6Å; I1110-F1114 WeakPolarHBondContact O-CD2 3.43Å; I1110-F1114 PolarHBondContact O-N 2.97Å; M1111-F1114 PolarHBondContact O-N 3.39Å; F1114-T1116 VanDerWaalsContact C-N 3.29Å; F1114-T1116 PolarHBondContact O-N 3.33Å; F1114-S1118 VanDerWaalsContact O-CB 3.26Å; F1114-S1118 WeakPolarHBondContact O-CB 3.42Å; F1114-S1118 PolarHBondContact O-N 3.03Å; F1114-S1118 PolarHBondContact O-OG 3.2Å; F1114-V1126 HydrophobicContact CD1-CG1 3.71Å; F1114-V1126 HydrophobicContact CE1-CG1 3.91Å; F1114-L1127 HydrophobicContact CD1-CD2 4.39Å; F1114-F1131 HydrophobicContact CD1-CE2 4.36Å; F1114-F1131 HydrophobicContact CD2-CE2 4.08Å; F1114-F1131 HydrophobicContact CD2-CZ 4.22Å; F1114-F1131 HydrophobicContact CE1-CE2 4.15Å; F1114-F1131 AromaticContact CE2-CE2 3.86Å; F1114-F1131 HydrophobicContact CE2-CE2 3.86Å; F1114-F1131 HydrophobicContact CE2-CZ 4.45Å; F1114-F1131 HydrophobicContact CG-CE2 4.33Å; F1114-F1131 HydrophobicContact CG-CZ 4.3Å; F1114-F1131 AromaticContact CZ-CE2 3.89Å; F1114-F1131 HydrophobicContact CZ-CE2 3.89Å; F1114-L1294 HydrophobicContact CB-CD2 4.02Å |
| 1115 | L | 79.2 | Confident | 78.5 | Confident | 33 Ų | 33 | 31 Ų | 31 | 17% | 0.173 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.1 | -38.8 | 174.5 | -178.3 | 63.8 | 0 | 0 | 0 | 112 | M1111 H1112 Q1113 S1118 S1119 L1294 K1297 | M1111-L1115 WeakPolarHBondContact O-CB 3.38Å; M1111-L1115 PolarHBondContact O-N 2.88Å; H1112-L1115 PolarHBondContact O-N 2.83Å; Q1113-L1115 PolarHBondContact O-N 3.25Å; L1115-S1118 PolarHBondContact O-OG 3.22Å; L1115-S1119 PolarHBondContact O-N 3.16Å; L1115-S1119 PolarHBondContact O-OG 3.18Å; L1115-L1294 HydrophobicContact CB-CD1 4.07Å; L1115-L1294 HydrophobicContact CD1-CD1 3.85Å; L1115-K1297 HydrophobicContact CD1-CD 3.66Å; L1115-K1297 PolarHBondContact O-NZ 2.72Å |
| 1116 | T | 83.3 | Confident | 78.5 | Confident | 11 Ų | 11 | 29.1 Ų | 29.1 | 7% | 0.067 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.9 | -51.8 | 178.7 | -51.6 | 0 | 0 | 0 | 0 | 110.6 | I1063 R1067 H1112 Q1113 F1114 S1118 S1119 I1120 | I1063-T1116 HydrophobicContact CG2-CG2 4.01Å; R1067-T1116 PolarHBondContact NH1-OG1 2.9Å; R1067-T1116 PolarHBondContact NH2-OG1 3.09Å; H1112-T1116 WeakPolarHBondContact O-CB 3.34Å; H1112-T1116 PolarHBondContact O-N 2.96Å; H1112-T1116 PolarHBondContact O-OG1 2.95Å; Q1113-T1116 WeakPolarHBondContact O-CB 3.32Å; Q1113-T1116 PolarHBondContact O-N 3.16Å; F1114-T1116 VanDerWaalsContact C-N 3.29Å; F1114-T1116 PolarHBondContact O-N 3.33Å; T1116-S1118 VanDerWaalsContact C-N 3.35Å; T1116-S1118 PolarHBondContact O-N 3.11Å; T1116-S1119 PolarHBondContact O-N 3.41Å; T1116-S1119 PolarHBondContact O-OG 3.08Å; T1116-I1120 HydrophobicContact CG2-CD1 3.9Å; T1116-I1120 WeakPolarHBondContact O-CG1 2.95Å; T1116-I1120 PolarHBondContact O-N 3.12Å |
| 1117 | L | 84 | Confident | 78.1 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.8 | -43 | 178.8 | -169.9 | 64.4 | 0 | 0 | 0 | 112 | F1059 I1063 L1081 L1089 Q1113 S1119 I1120 L1121 V1126 | F1059-L1117 HydrophobicContact CE1-CD2 4.46Å; F1059-L1117 HydrophobicContact CZ-CD2 4.46Å; I1063-L1117 HydrophobicContact CD1-CD2 4.43Å; L1081-L1117 HydrophobicContact CD1-CD1 4.45Å; L1081-L1117 HydrophobicContact CD2-CD1 4.46Å; L1089-L1117 HydrophobicContact CD1-CD2 4.38Å; Q1113-L1117 VanDerWaalsContact O-CB 3.28Å; Q1113-L1117 WeakPolarHBondContact O-CB 3.23Å; Q1113-L1117 PolarHBondContact O-N 2.89Å; L1117-S1119 VanDerWaalsContact C-N 3.25Å; L1117-S1119 PolarHBondContact O-N 3.06Å; L1117-I1120 PolarHBondContact O-N 3.18Å; L1117-I1120 VanDerWaalsContact O-N 3.08Å; L1117-L1121 HydrophobicContact CD1-CD1 3.71Å; L1117-L1121 HydrophobicContact CD1-CG 4.33Å; L1117-L1121 HydrophobicContact CG-CD1 4.46Å; L1117-L1121 PolarHBondContact O-N 3.24Å; L1117-V1126 HydrophobicContact CD2-CG1 3.94Å; L1117-V1126 HydrophobicContact CD2-CG2 4.26Å; L1117-V1126 HydrophobicContact CG-CG1 4.45Å; L1117-V1126 HydrophobicContact CG-CG2 4.36Å |
| 1118 | S | 77.6 | Confident | 77.7 | Confident | 20 Ų | 20 | 32 Ų | 32 | 14% | 0.14 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.3 | -15.5 | 176.4 | 64 | 0 | 0 | 0 | 0 | 114.9 | F1114 L1115 T1116 K1297 | F1114-S1118 VanDerWaalsContact O-CB 3.26Å; F1114-S1118 WeakPolarHBondContact O-CB 3.42Å; F1114-S1118 PolarHBondContact O-N 3.03Å; F1114-S1118 PolarHBondContact O-OG 3.2Å; L1115-S1118 PolarHBondContact O-OG 3.22Å; T1116-S1118 VanDerWaalsContact C-N 3.35Å; T1116-S1118 PolarHBondContact O-N 3.11Å; S1118-K1297 PolarHBondContact OG-NZ 3.45Å |
| 1119 | S | 75.8 | Confident | 77.6 | Confident | 77 Ų | 77 | 32.1 Ų | 32.1 | 54% | 0.538 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -88.1 | -22.6 | 168.1 | 39.6 | 0 | 0 | 0 | 0 | 113.9 | L1115 T1116 L1117 | L1115-S1119 PolarHBondContact O-N 3.16Å; L1115-S1119 PolarHBondContact O-OG 3.18Å; T1116-S1119 PolarHBondContact O-N 3.41Å; T1116-S1119 PolarHBondContact O-OG 3.08Å; L1117-S1119 VanDerWaalsContact C-N 3.25Å; L1117-S1119 PolarHBondContact O-N 3.06Å |
| 1120 | I | 81 | Confident | 77.6 | Confident | 20 Ų | 20 | 34.9 Ų | 34.9 | 10% | 0.103 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -89.2 | -37.8 | -177.1 | -63 | 164.9 | 0 | 0 | 0 | 111.1 | V1066 L1078 L1081 Q1082 T1116 L1117 P1122 | V1066-I1120 HydrophobicContact CB-CD1 4.48Å; V1066-I1120 HydrophobicContact CG1-CD1 3.89Å; V1066-I1120 HydrophobicContact CG2-CD1 4.11Å; L1078-I1120 HydrophobicContact CD1-CB 4.2Å; L1078-I1120 HydrophobicContact CD1-CD1 3.84Å; L1078-I1120 HydrophobicContact CD1-CG1 3.6Å; L1078-I1120 HydrophobicContact CD1-CG2 3.59Å; L1081-I1120 HydrophobicContact CD1-CD1 4Å; Q1082-I1120 HydrophobicContact CG-CG2 4.33Å; T1116-I1120 HydrophobicContact CG2-CD1 3.9Å; T1116-I1120 WeakPolarHBondContact O-CG1 2.95Å; T1116-I1120 PolarHBondContact O-N 3.12Å; L1117-I1120 PolarHBondContact O-N 3.18Å; L1117-I1120 VanDerWaalsContact O-N 3.08Å; I1120-P1122 VanDerWaalsContact C-CD 3.48Å; I1120-P1122 WeakPolarHBondContact O-CD 3.32Å |
| 1121 | L | 79.5 | Confident | 77.6 | Confident | 25 Ų | 25 | 34.9 Ų | 34.9 | 13% | 0.131 | 20% | 0.201 | C | C | . | . | trans | -120.6 | 71.4 | -175.5 | -55.6 | 179.1 | 0 | 0 | 0 | 110.5 | Q1082 L1089 L1117 D1123 A1124 | Q1082-L1121 HydrophobicContact CB-CD2 4.35Å; Q1082-L1121 HydrophobicContact CG-CD2 3.73Å; L1089-L1121 HydrophobicContact CD1-CD1 4.49Å; L1089-L1121 HydrophobicContact CD2-CD1 3.76Å; L1117-L1121 HydrophobicContact CD1-CD1 3.71Å; L1117-L1121 HydrophobicContact CD1-CG 4.33Å; L1117-L1121 HydrophobicContact CG-CD1 4.46Å; L1117-L1121 PolarHBondContact O-N 3.24Å; L1121-D1123 VanDerWaalsContact C-N 3.3Å; L1121-D1123 PolarHBondContact O-N 2.97Å; L1121-A1124 HydrophobicContact CB-CB 3.79Å; L1121-A1124 PolarHBondContact O-N 2.91Å | ||
| 1122 | P | 67.7 | Low | 77.7 | Confident | 74 Ų | 74 | 34.8 Ų | 34.8 | 48% | 0.481 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -31.3 | -177.1 | 27.2 | -35.3 | 0 | 0 | 0 | 113.4 | I1120 | I1120-P1122 VanDerWaalsContact C-CD 3.48Å; I1120-P1122 WeakPolarHBondContact O-CD 3.32Å |
| 1123 | D | 66.7 | Low | 77.9 | Confident | 158 Ų | 158 | 36 Ų | 36 | 85% | 0.845 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -16.4 | -179.8 | -55.3 | -45.7 | 0 | 0 | 0 | 113 | L1121 | L1121-D1123 VanDerWaalsContact C-N 3.3Å; L1121-D1123 PolarHBondContact O-N 2.97Å |
| 1124 | A | 66.2 | Low | 77.5 | Confident | 34 Ų | 34 | 37.6 Ų | 37.6 | 28% | 0.281 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -78.4 | 123.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | L1089 L1121 V1126 | L1089-A1124 HydrophobicContact CD2-CB 4.02Å; L1121-A1124 HydrophobicContact CB-CB 3.79Å; L1121-A1124 PolarHBondContact O-N 2.91Å; A1124-V1126 HydrophobicContact CB-CG2 3.86Å; A1124-V1126 PolarHBondContact O-N 3.25Å |
| 1125 | L | 68 | Low | 77.5 | Confident | 94 Ų | 94 | 38 Ų | 38 | 49% | 0.492 | 22% | 0.219 | S | C | . | . | trans | -71.8 | 53.9 | 176.1 | -64.5 | 172.8 | 0 | 0 | 0 | 112.6 | L1127 | L1125-L1127 VanDerWaalsContact C-N 3.34Š| ||
| 1126 | V | 72.7 | Confident | 77.7 | Confident | 9 Ų | 9 | 36.4 Ų | 36.4 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | trans | -65.3 | -38.5 | 177 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | L1089 F1114 L1117 A1124 | L1089-V1126 HydrophobicContact CD2-CG2 4.48Å; F1114-V1126 HydrophobicContact CD1-CG1 3.71Å; F1114-V1126 HydrophobicContact CE1-CG1 3.91Å; L1117-V1126 HydrophobicContact CD2-CG1 3.94Å; L1117-V1126 HydrophobicContact CD2-CG2 4.26Å; L1117-V1126 HydrophobicContact CG-CG1 4.45Å; L1117-V1126 HydrophobicContact CG-CG2 4.36Å; A1124-V1126 HydrophobicContact CB-CG2 3.86Å; A1124-V1126 PolarHBondContact O-N 3.25Å | ||
| 1127 | L | 74.8 | Confident | 77.5 | Confident | 15 Ų | 15 | 39.7 Ų | 39.7 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -106 | 127 | 178.4 | -56.9 | 178.7 | 0 | 0 | 0 | 110.1 | F1114 L1125 F1131 F1132 L1294 F1298 | F1114-L1127 HydrophobicContact CD1-CD2 4.39Å; L1125-L1127 VanDerWaalsContact C-N 3.34Å; L1127-F1131 HydrophobicContact CD2-CD1 4.11Å; L1127-F1131 HydrophobicContact CD2-CE1 3.89Å; L1127-F1131 HydrophobicContact CD2-CZ 4.26Å; L1127-F1132 HydrophobicContact CB-CE2 4.17Å; L1127-F1132 HydrophobicContact CD1-CZ 4.45Å; L1127-L1294 HydrophobicContact CD1-CD1 3.86Å; L1127-L1294 HydrophobicContact CD1-CD2 4.48Å; L1127-L1294 HydrophobicContact CD1-CG 3.95Å; L1127-L1294 HydrophobicContact CD2-CD2 3.87Å; L1127-L1294 HydrophobicContact CD2-CG 4.25Å; L1127-F1298 HydrophobicContact CB-CD2 3.97Å; L1127-F1298 HydrophobicContact CB-CE2 4.47Å |
| 1128 | N | 77.3 | Confident | 77.2 | Confident | 46 Ų | 46 | 40.5 Ų | 40.5 | 25% | 0.246 | 23% | 0.23 | C | C | . | . | trans | -145.8 | 173.6 | -178.7 | 61.8 | 57.4 | 0 | 0 | 0 | 110.6 | D1130 F1131 F1132 | N1128-D1130 VanDerWaalsContact C-N 3.31Å; N1128-D1130 PolarHBondContact O-N 3.17Å; N1128-D1130 WeakPolarHBondContact OD1-CB 3.41Å; N1128-D1130 PolarHBondContact OD1-N 3.39Å; N1128-F1131 PolarHBondContact OD1-N 3.03Å; N1128-F1132 WeakPolarHBondContact O-CD2 3.13Å; N1128-F1132 PolarHBondContact O-N 3.12Å | ||
| 1129 | W | 77.8 | Confident | 77.1 | Confident | 9 Ų | 9 | 39.9 Ų | 39.9 | 3% | 0.034 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.7 | -26.1 | -178.2 | -67.7 | 110.5 | 0 | 0 | 0 | 114.1 | Q1133 F1295 F1298 L1299 N1308 K1317 Q1318 F1368 | W1129-Q1133 WeakPolarHBondContact O-CB 3.47Å; W1129-Q1133 PolarHBondContact O-N 3.24Å; W1129-F1295 HydrophobicContact CH2-CE2 4.3Å; W1129-F1295 AromaticContact CZ3-CE2 3.76Å; W1129-F1295 HydrophobicContact CZ3-CE2 3.76Å; W1129-F1295 HydrophobicContact CZ3-CZ 4.18Å; W1129-F1298 HydrophobicContact CD2-CE1 4.32Å; W1129-F1298 AromaticContact CE2-CE1 3.94Å; W1129-F1298 HydrophobicContact CE3-CE1 4.49Å; W1129-F1298 AromaticContact CH2-CE1 3.93Å; W1129-F1298 HydrophobicContact CH2-CE1 3.93Å; W1129-F1298 AromaticContact CZ2-CE1 3.72Å; W1129-F1298 HydrophobicContact CZ2-CE1 3.72Å; W1129-F1298 HydrophobicContact CZ2-CZ 4.32Å; W1129-F1298 HydrophobicContact CZ3-CE1 4.33Å; W1129-L1299 HydrophobicContact CH2-CD2 4.01Å; W1129-N1308 PolarHBondContact NE1-O 3.03Å; W1129-K1317 HydrophobicContact CB-CB 4.32Å; W1129-K1317 HydrophobicContact CB-CD 4.32Å; W1129-Q1318 HydrophobicContact CD2-CG 3.83Å; W1129-Q1318 HydrophobicContact CE3-CG 3.93Å; W1129-Q1318 HydrophobicContact CH2-CB 4.45Å; W1129-Q1318 HydrophobicContact CH2-CG 3.69Å; W1129-Q1318 HydrophobicContact CZ2-CG 3.56Å; W1129-Q1318 HydrophobicContact CZ3-CB 4.35Å; W1129-Q1318 HydrophobicContact CZ3-CG 3.85Å; W1129-F1368 AromaticContact CH2-CE1 3.99Å; W1129-F1368 HydrophobicContact CH2-CE1 3.99Å; W1129-F1368 HydrophobicContact CH2-CZ 4.09Å; W1129-F1368 HydrophobicContact CZ2-CE1 4.02Å; W1129-F1368 HydrophobicContact CZ2-CE2 4.33Å; W1129-F1368 AromaticContact CZ2-CZ 3.65Å; W1129-F1368 HydrophobicContact CZ2-CZ 3.65Å |
| 1130 | D | 78.4 | Confident | 76.8 | Confident | 86 Ų | 86 | 36.7 Ų | 36.7 | 46% | 0.46 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -73.7 | -39.7 | 179.2 | -71.2 | -62.4 | 0 | 0 | 0 | 111.9 | N1128 S1134 K1317 | N1128-D1130 VanDerWaalsContact C-N 3.31Å; N1128-D1130 PolarHBondContact O-N 3.17Å; N1128-D1130 WeakPolarHBondContact OD1-CB 3.41Å; N1128-D1130 PolarHBondContact OD1-N 3.39Å; D1130-S1134 WeakPolarHBondContact O-CB 3.22Å; D1130-S1134 PolarHBondContact O-N 2.96Å; D1130-S1134 PolarHBondContact O-OG 3.18Å; D1130-K1317 WeakPolarHBondContact OD1-CE 3.43Å; D1130-K1317 IonicContact OD1-NZ 3.17Å; D1130-K1317 PolarHBondContact OD1-NZ 3.37Å; D1130-K1317 IonicContact OD2-NZ 3.38Å; D1130-K1317 PolarHBondContact OD2-NZ 3.41Å |
| 1131 | F | 84.6 | Confident | 76.3 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.2 | -59.3 | 167.6 | 172.9 | -92.5 | 0 | 0 | 0 | 110 | E1097 M1111 F1114 L1127 N1128 Q1133 S1134 R1135 L1294 | E1097-F1131 HydrophobicContact CG-CD2 3.89Å; E1097-F1131 HydrophobicContact CG-CE2 4.16Å; M1111-F1131 HydrophobicContact CE-CE2 4.22Å; M1111-F1131 HydrophobicContact CE-CZ 3.67Å; M1111-F1131 HydrophobicContact SD-CZ 3.99Å; F1114-F1131 HydrophobicContact CD1-CE2 4.36Å; F1114-F1131 HydrophobicContact CD2-CE2 4.08Å; F1114-F1131 HydrophobicContact CD2-CZ 4.22Å; F1114-F1131 HydrophobicContact CE1-CE2 4.15Å; F1114-F1131 AromaticContact CE2-CE2 3.86Å; F1114-F1131 HydrophobicContact CE2-CE2 3.86Å; F1114-F1131 HydrophobicContact CE2-CZ 4.45Å; F1114-F1131 HydrophobicContact CG-CE2 4.33Å; F1114-F1131 HydrophobicContact CG-CZ 4.3Å; F1114-F1131 AromaticContact CZ-CE2 3.89Å; F1114-F1131 HydrophobicContact CZ-CE2 3.89Å; L1127-F1131 HydrophobicContact CD2-CD1 4.11Å; L1127-F1131 HydrophobicContact CD2-CE1 3.89Å; L1127-F1131 HydrophobicContact CD2-CZ 4.26Å; N1128-F1131 PolarHBondContact OD1-N 3.03Å; F1131-Q1133 PolarHBondContact O-N 3.03Å; F1131-S1134 PolarHBondContact O-N 3Å; F1131-S1134 PolarHBondContact O-OG 3.44Å; F1131-R1135 HydrophobicContact CD2-CG 4.49Å; F1131-R1135 HydrophobicContact CE1-CG 4.45Å; F1131-R1135 HydrophobicContact CE2-CG 4.29Å; F1131-R1135 HydrophobicContact CZ-CG 4.28Å; F1131-R1135 WeakPolarHBondContact O-CG 3.22Å; F1131-R1135 PolarHBondContact O-N 3.27Å; F1131-R1135 VanDerWaalsContact O-N 3.07Å; F1131-L1294 HydrophobicContact CE1-CD2 3.85Å; F1131-L1294 HydrophobicContact CZ-CD2 4.01Å |
| 1132 | F | 85.7 | Confident | 75.8 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.7 | -41.7 | -177.7 | -73.5 | -65.5 | 0 | 0 | 0 | 112.8 | L1127 N1128 S1134 R1135 F1136 L1294 F1295 F1298 V1321 | L1127-F1132 HydrophobicContact CB-CE2 4.17Å; L1127-F1132 HydrophobicContact CD1-CZ 4.45Å; N1128-F1132 WeakPolarHBondContact O-CD2 3.13Å; N1128-F1132 PolarHBondContact O-N 3.12Å; F1132-S1134 PolarHBondContact O-N 2.98Å; F1132-R1135 PolarHBondContact O-N 2.89Å; F1132-F1136 HydrophobicContact CB-CD2 4.26Å; F1132-F1136 HydrophobicContact CD1-CD2 4.36Å; F1132-F1136 HydrophobicContact CD1-CE2 4Å; F1132-F1136 WeakPolarHBondContact O-CB 3.05Å; F1132-F1136 VanDerWaalsContact O-CD2 3.3Å; F1132-F1136 WeakPolarHBondContact O-CD2 3.16Å; F1132-F1136 PolarHBondContact O-N 2.8Å; F1132-L1294 HydrophobicContact CE1-CB 4.38Å; F1132-L1294 HydrophobicContact CE1-CD2 4.46Å; F1132-L1294 HydrophobicContact CE1-CG 4.35Å; F1132-L1294 HydrophobicContact CZ-CG 4.18Å; F1132-F1295 HydrophobicContact CB-CD2 4.44Å; F1132-F1295 HydrophobicContact CD1-CB 4.05Å; F1132-F1295 AromaticContact CD1-CD2 3.85Å; F1132-F1295 HydrophobicContact CD1-CD2 3.85Å; F1132-F1295 HydrophobicContact CD1-CG 4.39Å; F1132-F1295 HydrophobicContact CD2-CD2 4.06Å; F1132-F1295 HydrophobicContact CE1-CB 3.7Å; F1132-F1295 HydrophobicContact CE1-CD2 4.07Å; F1132-F1295 HydrophobicContact CE1-CG 4.4Å; F1132-F1295 HydrophobicContact CE2-CD2 4.27Å; F1132-F1295 AromaticContact CG-CD2 3.85Å; F1132-F1295 HydrophobicContact CG-CD2 3.85Å; F1132-F1295 HydrophobicContact CZ-CB 4.24Å; F1132-F1295 HydrophobicContact CZ-CD2 4.28Å; F1132-F1298 HydrophobicContact CD2-CD1 4.22Å; F1132-F1298 HydrophobicContact CD2-CG 4.39Å; F1132-F1298 HydrophobicContact CE2-CB 3.71Å; F1132-F1298 AromaticContact CE2-CD1 3.81Å; F1132-F1298 HydrophobicContact CE2-CD1 3.81Å; F1132-F1298 AromaticContact CE2-CD2 4Å; F1132-F1298 HydrophobicContact CE2-CD2 4Å; F1132-F1298 HydrophobicContact CE2-CE1 4.43Å; F1132-F1298 AromaticContact CE2-CG 3.57Å; F1132-F1298 HydrophobicContact CE2-CG 3.57Å; F1132-F1298 HydrophobicContact CZ-CB 3.89Å; F1132-F1298 HydrophobicContact CZ-CG 4.27Å; F1132-V1321 HydrophobicContact CB-CG2 4.38Å |
| 1133 | Q | 82.6 | Confident | 75.8 | Confident | 42 Ų | 42 | 39.2 Ų | 39.2 | 20% | 0.196 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.8 | -51.7 | 177.7 | -177.2 | 179.1 | -6.6 | 0 | 0 | 111.4 | W1129 F1131 R1135 F1136 E1137 V1321 | W1129-Q1133 WeakPolarHBondContact O-CB 3.47Å; W1129-Q1133 PolarHBondContact O-N 3.24Å; F1131-Q1133 PolarHBondContact O-N 3.03Å; Q1133-R1135 PolarHBondContact O-N 3.28Å; Q1133-F1136 PolarHBondContact O-N 3.06Å; Q1133-E1137 HydrophobicContact CG-CG 4.38Å; Q1133-E1137 WeakPolarHBondContact CG-OE1 3.14Å; Q1133-E1137 PolarHBondContact NE2-OE1 3.46Å; Q1133-E1137 WeakPolarHBondContact O-CB 3.33Å; Q1133-E1137 WeakPolarHBondContact O-CG 3.22Å; Q1133-E1137 PolarHBondContact O-N 3.3Å; Q1133-V1321 HydrophobicContact CB-CG2 4.19Å |
| 1134 | S | 78.7 | Confident | 75.8 | Confident | 35 Ų | 35 | 34.6 Ų | 34.6 | 25% | 0.245 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.4 | -44.8 | -179.5 | 62.6 | 0 | 0 | 0 | 0 | 112.1 | D1130 F1131 F1132 V1138 | D1130-S1134 WeakPolarHBondContact O-CB 3.22Å; D1130-S1134 PolarHBondContact O-N 2.96Å; D1130-S1134 PolarHBondContact O-OG 3.18Å; F1131-S1134 PolarHBondContact O-N 3Å; F1131-S1134 PolarHBondContact O-OG 3.44Å; F1132-S1134 PolarHBondContact O-N 2.98Å; S1134-V1138 WeakPolarHBondContact O-CG2 3.34Å; S1134-V1138 PolarHBondContact O-N 2.96Å; S1134-V1138 VanDerWaalsContact O-N 3.09Å |
| 1135 | R | 85.1 | Confident | 75.8 | Confident | 9 Ų | 9 | 35.2 Ų | 35.2 | 3% | 0.034 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.4 | -42 | -179.5 | -59.1 | -45 | 103.6 | 165.2 | 5.3 | 113.1 | E1097 D1101 M1111 F1131 F1132 Q1133 V1138 L1139 | E1097-R1135 PolarHBondContact O-NH1 3.39Å; D1101-R1135 IonicContact OD1-CZ 3.11Å; D1101-R1135 VanDerWaalsContact OD1-CZ 3.28Å; D1101-R1135 IonicContact OD1-NH1 2.64Å; D1101-R1135 PolarHBondContact OD1-NH1 3.39Å; D1101-R1135 IonicContact OD1-NH2 2.71Å; D1101-R1135 IonicContact OD2-CZ 2.7Å; D1101-R1135 VanDerWaalsContact OD2-CZ 3.22Å; D1101-R1135 IonicContact OD2-NH1 2.64Å; D1101-R1135 PolarHBondContact OD2-NH1 2.98Å; D1101-R1135 IonicContact OD2-NH2 2.71Å; D1101-R1135 PolarHBondContact OD2-NH2 3.19Å; M1111-R1135 HydrophobicContact CE-CG 3.95Å; F1131-R1135 HydrophobicContact CD2-CG 4.49Å; F1131-R1135 HydrophobicContact CE1-CG 4.45Å; F1131-R1135 HydrophobicContact CE2-CG 4.29Å; F1131-R1135 HydrophobicContact CZ-CG 4.28Å; F1131-R1135 WeakPolarHBondContact O-CG 3.22Å; F1131-R1135 PolarHBondContact O-N 3.27Å; F1131-R1135 VanDerWaalsContact O-N 3.07Å; F1132-R1135 PolarHBondContact O-N 2.89Å; Q1133-R1135 PolarHBondContact O-N 3.28Å; R1135-V1138 PolarHBondContact O-N 3.37Å; R1135-L1139 WeakPolarHBondContact O-CB 3.18Å; R1135-L1139 WeakPolarHBondContact O-CG 3.36Å; R1135-L1139 PolarHBondContact O-N 3.39Å |
| 1136 | F | 84.1 | Confident | 75.5 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.5 | -36.3 | 177.5 | -88.6 | -88.7 | 0 | 0 | 0 | 112.1 | F1132 Q1133 S1140 V1291 V1292 F1295 V1321 H1324 L1325 L1328 | F1132-F1136 HydrophobicContact CB-CD2 4.26Å; F1132-F1136 HydrophobicContact CD1-CD2 4.36Å; F1132-F1136 HydrophobicContact CD1-CE2 4Å; F1132-F1136 WeakPolarHBondContact O-CB 3.05Å; F1132-F1136 VanDerWaalsContact O-CD2 3.3Å; F1132-F1136 WeakPolarHBondContact O-CD2 3.16Å; F1132-F1136 PolarHBondContact O-N 2.8Å; Q1133-F1136 PolarHBondContact O-N 3.06Å; F1136-S1140 WeakPolarHBondContact O-CB 2.92Å; F1136-S1140 PolarHBondContact O-N 2.78Å; F1136-S1140 PolarHBondContact O-OG 3.33Å; F1136-V1291 HydrophobicContact CD2-CG1 3.94Å; F1136-V1291 HydrophobicContact CE2-CG1 3.64Å; F1136-V1291 HydrophobicContact CZ-CG1 4.02Å; F1136-V1292 HydrophobicContact CE1-CG2 4.15Å; F1136-V1292 HydrophobicContact CZ-CG2 4.1Å; F1136-F1295 HydrophobicContact CE2-CB 4.05Å; F1136-F1295 HydrophobicContact CE2-CD1 4.44Å; F1136-F1295 HydrophobicContact CE2-CD2 4.24Å; F1136-F1295 AromaticContact CE2-CG 3.98Å; F1136-F1295 HydrophobicContact CE2-CG 3.98Å; F1136-F1295 HydrophobicContact CZ-CB 4.18Å; F1136-F1295 HydrophobicContact CZ-CD1 4.18Å; F1136-F1295 HydrophobicContact CZ-CG 4.12Å; F1136-V1321 HydrophobicContact CD2-CG1 3.81Å; F1136-V1321 HydrophobicContact CE2-CG1 3.88Å; F1136-V1321 HydrophobicContact CG-CG1 4.28Å; F1136-V1321 HydrophobicContact CZ-CG1 4.41Å; F1136-H1324 HydrophobicContact CB-CB 4.04Å; F1136-H1324 HydrophobicContact CD1-CB 3.97Å; F1136-H1324 HydrophobicContact CG-CB 4.41Å; F1136-L1325 HydrophobicContact CE1-CB 4.26Å; F1136-L1325 HydrophobicContact CE1-CD1 4.36Å; F1136-L1328 HydrophobicContact CD1-CD1 3.94Å; F1136-L1328 HydrophobicContact CE1-CD1 3.79Å |
| 1137 | E | 79.5 | Confident | 75 | Confident | 79 Ų | 79 | 35.1 Ų | 35.1 | 37% | 0.369 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.9 | -43.6 | 174.6 | -76.2 | 175.5 | -171.7 | 0 | 0 | 111.5 | Q1133 S1140 S1141 | Q1133-E1137 HydrophobicContact CG-CG 4.38Å; Q1133-E1137 WeakPolarHBondContact CG-OE1 3.14Å; Q1133-E1137 PolarHBondContact NE2-OE1 3.46Å; Q1133-E1137 WeakPolarHBondContact O-CB 3.33Å; Q1133-E1137 WeakPolarHBondContact O-CG 3.22Å; Q1133-E1137 PolarHBondContact O-N 3.3Å; E1137-S1140 PolarHBondContact O-OG 3.03Å; E1137-S1141 VanDerWaalsContact O-CB 3.23Å; E1137-S1141 WeakPolarHBondContact O-CB 3.47Å; E1137-S1141 PolarHBondContact O-N 3.49Å |
| 1138 | V | 76.6 | Confident | 74.2 | Confident | 17 Ų | 17 | 37 Ų | 37 | 10% | 0.103 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.7 | -53.6 | 174.3 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | S1134 R1135 S1140 S1141 E1142 | S1134-V1138 WeakPolarHBondContact O-CG2 3.34Å; S1134-V1138 PolarHBondContact O-N 2.96Å; S1134-V1138 VanDerWaalsContact O-N 3.09Å; R1135-V1138 PolarHBondContact O-N 3.37Å; V1138-S1140 PolarHBondContact O-N 2.91Å; V1138-S1141 PolarHBondContact O-N 2.93Å; V1138-E1142 WeakPolarHBondContact CG1-OE1 3.08Å; V1138-E1142 WeakPolarHBondContact O-CB 3.47Å; V1138-E1142 WeakPolarHBondContact O-CG 3.49Å; V1138-E1142 PolarHBondContact O-N 3.35Å |
| 1139 | L | 75.5 | Confident | 73.1 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.5 | -36.6 | -176.6 | -71.8 | 171.7 | 0 | 0 | 0 | 113.2 | R1135 M1143 V1291 | R1135-L1139 WeakPolarHBondContact O-CB 3.18Å; R1135-L1139 WeakPolarHBondContact O-CG 3.36Å; R1135-L1139 PolarHBondContact O-N 3.39Å; L1139-M1143 VanDerWaalsContact O-CB 3.29Å; L1139-M1143 WeakPolarHBondContact O-CB 3.06Å; L1139-M1143 PolarHBondContact O-N 2.74Å; L1139-V1291 HydrophobicContact CD1-CB 3.98Å; L1139-V1291 HydrophobicContact CD1-CG1 4.21Å; L1139-V1291 HydrophobicContact CD1-CG2 3.73Å |
| 1140 | S | 71.1 | Confident | 71.9 | Confident | 9 Ų | 9 | 46.2 Ų | 46.2 | 6% | 0.063 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -72.2 | -37.9 | 176.7 | 60.4 | 0 | 0 | 0 | 0 | 112.2 | F1136 E1137 V1138 M1143 Q1144 H1324 | F1136-S1140 WeakPolarHBondContact O-CB 2.92Å; F1136-S1140 PolarHBondContact O-N 2.78Å; F1136-S1140 PolarHBondContact O-OG 3.33Å; E1137-S1140 PolarHBondContact O-OG 3.03Å; V1138-S1140 PolarHBondContact O-N 2.91Å; S1140-M1143 PolarHBondContact O-N 3.29Å; S1140-Q1144 WeakPolarHBondContact O-CB 3.42Å; S1140-Q1144 VanDerWaalsContact O-CG 3.3Å; S1140-Q1144 WeakPolarHBondContact O-CG 3.47Å; S1140-Q1144 PolarHBondContact O-N 3.05Å; S1140-H1324 PolarHBondContact OG-CD2 3.44Å |
| 1141 | S | 69.6 | Low | 70.6 | Confident | 55 Ų | 55 | 45.5 Ų | 45.5 | 39% | 0.385 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 172.8 | -176.4 | 0 | 0 | 0 | 0 | 111.6 | E1137 V1138 Q1144 S1145 | E1137-S1141 VanDerWaalsContact O-CB 3.23Å; E1137-S1141 WeakPolarHBondContact O-CB 3.47Å; E1137-S1141 PolarHBondContact O-N 3.49Å; V1138-S1141 PolarHBondContact O-N 2.93Å; S1141-Q1144 PolarHBondContact O-N 2.85Å; S1141-S1145 WeakPolarHBondContact O-CB 3.39Å; S1141-S1145 PolarHBondContact O-N 2.7Å |
| 1142 | E | 70 | Confident | 68.7 | Low | 29 Ų | 29 | 52.8 Ų | 52.8 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.7 | -48 | 173.9 | -75.3 | 175.1 | -178.2 | 0 | 0 | 111.4 | R1107 V1138 Q1144 S1145 H1146 | R1107-E1142 IonicContact CZ-OE1 3.14Å; R1107-E1142 IonicContact CZ-OE2 2.94Å; R1107-E1142 VanDerWaalsContact NH1-CD 3.27Å; R1107-E1142 IonicContact NH1-OE1 2.58Å; R1107-E1142 PolarHBondContact NH1-OE1 2.84Å; R1107-E1142 IonicContact NH1-OE2 1.9Å; R1107-E1142 PolarHBondContact NH1-OE2 3.27Å; R1107-E1142 IonicContact NH2-OE1 2.68Å; R1107-E1142 PolarHBondContact NH2-OE1 2.96Å; R1107-E1142 IonicContact NH2-OE2 3.86Å; V1138-E1142 WeakPolarHBondContact CG1-OE1 3.08Å; V1138-E1142 WeakPolarHBondContact O-CB 3.47Å; V1138-E1142 WeakPolarHBondContact O-CG 3.49Å; V1138-E1142 PolarHBondContact O-N 3.35Å; E1142-Q1144 PolarHBondContact O-N 3.48Å; E1142-S1145 CarbonylContact O-C 3.52Å; E1142-S1145 WeakPolarHBondContact O-CB 3.47Å; E1142-S1145 PolarHBondContact O-N 2.89Å; E1142-S1145 VanDerWaalsContact O-N 3.14Å; E1142-S1145 PolarHBondContact O-OG 3.38Å; E1142-H1146 WeakPolarHBondContact O-CB 3.49Å; E1142-H1146 PolarHBondContact O-N 3.22Å |
| 1143 | M | 66.5 | Low | 66.5 | Low | 88 Ų | 88 | 57.9 Ų | 57.9 | 43% | 0.433 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 177.6 | -174.9 | 62.3 | 175.3 | 0 | 0 | 112.7 | L1139 S1140 H1146 L1147 | L1139-M1143 VanDerWaalsContact O-CB 3.29Å; L1139-M1143 WeakPolarHBondContact O-CB 3.06Å; L1139-M1143 PolarHBondContact O-N 2.74Å; S1140-M1143 PolarHBondContact O-N 3.29Å; M1143-H1146 PolarHBondContact O-N 3.19Å; M1143-L1147 HydrophobicContact CE-CD1 4.16Å; M1143-L1147 HydrophobicContact CE-CD2 4.27Å; M1143-L1147 HydrophobicContact CE-CG 4.16Å; M1143-L1147 HydrophobicContact CG-CD1 4.19Å; M1143-L1147 WeakPolarHBondContact O-CB 3.39Å; M1143-L1147 WeakPolarHBondContact O-CG 3.2Å; M1143-L1147 PolarHBondContact O-N 2.98Å |
| 1144 | Q | 67.4 | Low | 64.6 | Low | 62 Ų | 62 | 61.3 Ų | 61.3 | 29% | 0.29 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 172.4 | -76.7 | -179.9 | 0.4 | 0 | 0 | 111.2 | S1140 S1141 E1142 H1146 L1147 A1148 L1159 | S1140-Q1144 WeakPolarHBondContact O-CB 3.42Å; S1140-Q1144 VanDerWaalsContact O-CG 3.3Å; S1140-Q1144 WeakPolarHBondContact O-CG 3.47Å; S1140-Q1144 PolarHBondContact O-N 3.05Å; S1141-Q1144 PolarHBondContact O-N 2.85Å; E1142-Q1144 PolarHBondContact O-N 3.48Å; Q1144-H1146 VanDerWaalsContact C-N 3.29Å; Q1144-H1146 PolarHBondContact O-N 3.44Å; Q1144-L1147 PolarHBondContact O-N 3.08Å; Q1144-A1148 WeakPolarHBondContact O-CB 3.46Å; Q1144-A1148 PolarHBondContact O-N 3.2Å; Q1144-L1159 HydrophobicContact CG-CD2 4.47Å; Q1144-L1159 PolarHBondContact NE2-O 3.28Å; Q1144-L1159 VanDerWaalsContact NE2-O 3.16Å |
| 1145 | S | 65.3 | Low | 62.6 | Low | 46 Ų | 46 | 64.5 Ų | 64.5 | 32% | 0.322 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.5 | -34.1 | 175.9 | 87.2 | 0 | 0 | 0 | 0 | 112.5 | S1141 E1142 R1149 | S1141-S1145 WeakPolarHBondContact O-CB 3.39Å; S1141-S1145 PolarHBondContact O-N 2.7Å; E1142-S1145 CarbonylContact O-C 3.52Å; E1142-S1145 WeakPolarHBondContact O-CB 3.47Å; E1142-S1145 PolarHBondContact O-N 2.89Å; E1142-S1145 VanDerWaalsContact O-N 3.14Å; E1142-S1145 PolarHBondContact O-OG 3.38Å; S1145-R1149 WeakPolarHBondContact O-CG 3.18Å; S1145-R1149 PolarHBondContact O-N 3.35Å |
| 1146 | H | 62.9 | Low | 60 | Low | 45 Ų | 45 | 68.8 Ų | 68.8 | 21% | 0.208 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -71.1 | -46.6 | 177 | -174.7 | -106.9 | 0 | 0 | 0 | 111.7 | E1142 M1143 Q1144 A1148 R1149 A1150 E1281 | E1142-H1146 WeakPolarHBondContact O-CB 3.49Å; E1142-H1146 PolarHBondContact O-N 3.22Å; M1143-H1146 PolarHBondContact O-N 3.19Å; Q1144-H1146 VanDerWaalsContact C-N 3.29Å; Q1144-H1146 PolarHBondContact O-N 3.44Å; H1146-A1148 VanDerWaalsContact C-N 3.26Å; H1146-A1148 PolarHBondContact O-N 3.23Å; H1146-R1149 PolarHBondContact O-N 3.45Å; H1146-R1149 VanDerWaalsContact O-N 3.15Å; H1146-A1150 WeakPolarHBondContact O-CB 3.43Å; H1146-A1150 PolarHBondContact O-N 3.34Å; H1146-E1281 IonicContact CE1-OE1 3.2Å; H1146-E1281 PolarHBondContact CE1-OE1 3.42Å; H1146-E1281 IonicContact NE2-OE1 2.69Å |
| 1147 | L | 61.2 | Low | 57.9 | Low | 56 Ų | 56 | 71.4 Ų | 71.4 | 29% | 0.293 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60 | -36.2 | 174.3 | -73.8 | 168.2 | 0 | 0 | 0 | 112.2 | M1143 Q1144 K1152 L1153 | M1143-L1147 HydrophobicContact CE-CD1 4.16Å; M1143-L1147 HydrophobicContact CE-CD2 4.27Å; M1143-L1147 HydrophobicContact CE-CG 4.16Å; M1143-L1147 HydrophobicContact CG-CD1 4.19Å; M1143-L1147 WeakPolarHBondContact O-CB 3.39Å; M1143-L1147 WeakPolarHBondContact O-CG 3.2Å; M1143-L1147 PolarHBondContact O-N 2.98Å; Q1144-L1147 PolarHBondContact O-N 3.08Å; L1147-K1152 PolarHBondContact O-N 3.13Å; L1147-L1153 HydrophobicContact CB-CD2 4.03Å; L1147-L1153 HydrophobicContact CB-CG 4.36Å |
| 1148 | A | 58.7 | Low | 55.7 | Low | 56 Ų | 56 | 73.3 Ų | 73.3 | 46% | 0.463 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q1144 H1146 G1151 L1153 | Q1144-A1148 WeakPolarHBondContact O-CB 3.46Å; Q1144-A1148 PolarHBondContact O-N 3.2Å; H1146-A1148 VanDerWaalsContact C-N 3.26Å; H1146-A1148 PolarHBondContact O-N 3.23Å; A1148-G1151 PolarHBondContact O-N 2.72Å; A1148-L1153 HydrophobicContact CB-CD1 3.83Å |
| 1149 | R | 53.3 | Low | 53.8 | Low | 201 Ų | 201 | 75.5 Ų | 75.5 | 76% | 0.758 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -66 | -37.5 | 175.7 | -71.4 | -179.5 | -150.4 | 166.4 | 9.2 | 112.9 | S1145 H1146 G1151 | S1145-R1149 WeakPolarHBondContact O-CG 3.18Å; S1145-R1149 PolarHBondContact O-N 3.35Å; H1146-R1149 PolarHBondContact O-N 3.45Å; H1146-R1149 VanDerWaalsContact O-N 3.15Å; R1149-G1151 PolarHBondContact O-N 3.01Å; R1149-G1151 VanDerWaalsContact O-N 3.17Å |
| 1150 | A | 54 | Low | 52.1 | Low | 47 Ų | 47 | 78.7 Ų | 78.7 | 39% | 0.388 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 0.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | H1146 K1152 | H1146-A1150 WeakPolarHBondContact O-CB 3.43Å; H1146-A1150 PolarHBondContact O-N 3.34Å; A1150-K1152 WeakPolarHBondContact O-CG 3.09Å; A1150-K1152 PolarHBondContact O-N 3.18Å |
| 1151 | G | 50.5 | Low | 50.4 | Low | 70 Ų | 70 | 83.4 Ų | 83.4 | 72% | 0.722 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 16.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A1148 R1149 | A1148-G1151 PolarHBondContact O-N 2.72Å; R1149-G1151 PolarHBondContact O-N 3.01Å; R1149-G1151 VanDerWaalsContact O-N 3.17Å |
| 1152 | K | 44.6 | Very low | 48.9 | Very low | 154 Ų | 154 | 83.9 Ų | 83.9 | 67% | 0.67 | 50% | 0.502 | S | S | * | . | trans | -107.5 | 22.8 | -168.6 | -77.7 | 171.3 | -175.3 | 171.1 | 0 | 114 | L1147 A1150 S1154 | L1147-K1152 PolarHBondContact O-N 3.13Å; A1150-K1152 WeakPolarHBondContact O-CG 3.09Å; A1150-K1152 PolarHBondContact O-N 3.18Å; K1152-S1154 PolarHBondContact O-N 3.17Å | ||
| 1153 | L | 38.7 | Very low | 47.2 | Very low | 107 Ų | 107 | 89.9 Ų | 89.9 | 56% | 0.56 | 54% | 0.535 | S | S | * | . | trans | -84.3 | 81.7 | 168.7 | -71 | 175.7 | 0 | 0 | 0 | 110.6 | L1147 A1148 | L1147-L1153 HydrophobicContact CB-CD2 4.03Å; L1147-L1153 HydrophobicContact CB-CG 4.36Å; A1148-L1153 HydrophobicContact CB-CD1 3.83Å | ||
| 1154 | S | 42.2 | Very low | 45.7 | Very low | 114 Ų | 114 | 92.5 Ų | 92.5 | 80% | 0.797 | 55% | 0.55 | S | S | * | * | trans | -105.9 | 4.1 | 167 | 69.4 | 0 | 0 | 0 | 0 | 113.5 | K1152 | K1152-S1154 PolarHBondContact O-N 3.17Š| ||
| 1155 | I | 36.7 | Very low | 43.8 | Very low | 102 Ų | 102 | 92.5 Ų | 92.5 | 52% | 0.523 | 57% | 0.567 | S | S | . | * | trans | -99.2 | 89.5 | 173.8 | -59 | 178.4 | 0 | 0 | 0 | 107.5 | ||||
| 1156 | A | 31 | Very low | 42.1 | Very low | 100 Ų | 100 | 94.8 Ų | 94.8 | 83% | 0.826 | 60% | 0.597 | S | S | * | * | trans | -77.2 | 150.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1157 | G | 40.1 | Very low | 40.4 | Very low | 55 Ų | 55 | 98 Ų | 98 | 57% | 0.567 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 145.7 | -120.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1158 | D | 34.1 | Very low | 39.3 | Very low | 118 Ų | 118 | 104.6 Ų | 104.6 | 63% | 0.631 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -113.6 | 19.6 | -165 | -63.3 | -101.3 | 0 | 0 | 0 | 114.9 | Q1334 | D1158-Q1334 PolarHBondContact OD1-NE2 2.7Å; D1158-Q1334 VanDerWaalsContact OD2-CD 3.27Å; D1158-Q1334 PolarHBondContact OD2-NE2 3.46Å; D1158-Q1334 PolarHBondContact OD2-OE1 3.29Å |
| 1159 | L | 36.9 | Very low | 38.1 | Very low | 63 Ų | 63 | 113.8 Ų | 113.8 | 33% | 0.33 | 67% | 0.674 | S | S | . | * | trans | -85.4 | -12.6 | -176.7 | -113.8 | 168.8 | 0 | 0 | 0 | 113.9 | Q1144 L1161 L1327 | Q1144-L1159 HydrophobicContact CG-CD2 4.47Å; Q1144-L1159 PolarHBondContact NE2-O 3.28Å; Q1144-L1159 VanDerWaalsContact NE2-O 3.16Å; L1159-L1161 PolarHBondContact O-N 2.66Å; L1159-L1327 HydrophobicContact CD1-CD2 4.25Å; L1159-L1327 HydrophobicContact CD2-CD1 3.62Å; L1159-L1327 HydrophobicContact CD2-CD2 3.57Å; L1159-L1327 HydrophobicContact CD2-CG 4.09Å; L1159-L1327 HydrophobicContact CG-CD2 3.8Å | ||
| 1160 | S | 38.6 | Very low | 37.2 | Very low | 75 Ų | 75 | 114.8 Ų | 114.8 | 52% | 0.524 | 68% | 0.678 | S | S | . | * | trans | -77.9 | 109.8 | 170.6 | 53.6 | 0 | 0 | 0 | 0 | 110.9 | A1162 | S1160-A1162 PolarHBondContact O-N 3.35Š| ||
| 1161 | L | 35.9 | Very low | 36.5 | Very low | 109 Ų | 109 | 114.9 Ų | 114.9 | 57% | 0.571 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 48.4 | 161.3 | -164.9 | 75.3 | 0 | 0 | 0 | 110.8 | L1159 L1164 | L1159-L1161 PolarHBondContact O-N 2.66Å; L1161-L1164 HydrophobicContact CD1-CD1 4.5Å |
| 1162 | A | 37.7 | Very low | 36.5 | Very low | 64 Ų | 64 | 113.5 Ų | 113.5 | 53% | 0.529 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95 | -31.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1160 L1164 | S1160-A1162 PolarHBondContact O-N 3.35Å; A1162-L1164 VanDerWaalsContact C-N 3.31Å; A1162-L1164 PolarHBondContact O-N 3.44Å |
| 1163 | D | 35.2 | Very low | 36.7 | Very low | 156 Ų | 156 | 112 Ų | 112 | 83% | 0.834 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -86.5 | 5.2 | -171.9 | -71.6 | -16.3 | 0 | 0 | 0 | 114.7 | G1165 | D1163-G1165 PolarHBondContact O-N 3.34Š|
| 1164 | L | 33.7 | Very low | 37.3 | Very low | 143 Ų | 143 | 107.4 Ų | 107.4 | 75% | 0.749 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -97.8 | 72.5 | 166.7 | -97.2 | 166 | 0 | 0 | 0 | 111.4 | L1161 A1162 | L1161-L1164 HydrophobicContact CD1-CD1 4.5Å; A1162-L1164 VanDerWaalsContact C-N 3.31Å; A1162-L1164 PolarHBondContact O-N 3.44Å |
| 1165 | G | 29.3 | Very low | 38 | Very low | 62 Ų | 62 | 106.9 Ų | 106.9 | 64% | 0.639 | 61% | 0.614 | S | S | * | * | trans | 81 | 102 | 161.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1163 S1167 | D1163-G1165 PolarHBondContact O-N 3.34Å; G1165-S1167 PolarHBondContact O-N 2.9Å | ||
| 1166 | G | 28.2 | Very low | 39 | Very low | 93 Ų | 93 | 106.3 Ų | 106.3 | 96% | 0.959 | 61% | 0.609 | S | S | * | * | trans | -60.9 | 96.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1167 | S | 28.8 | Very low | 40.3 | Very low | 113 Ų | 113 | 102.6 Ų | 102.6 | 79% | 0.79 | 58% | 0.575 | S | S | * | * | trans | -127.9 | 140.7 | 159.9 | -164.1 | 0 | 0 | 0 | 0 | 108.8 | G1165 R1169 | G1165-S1167 PolarHBondContact O-N 2.9Å; S1167-R1169 PolarHBondContact O-N 2.77Å | ||
| 1168 | K | 36.7 | Very low | 41.2 | Very low | 194 Ų | 194 | 103 Ų | 103 | 84% | 0.843 | 56% | 0.564 | S | S | * | * | trans | -44.3 | 135.4 | -176.5 | -61.9 | 168.7 | 179.8 | 176.9 | 0 | 110 | R1170 | K1168-R1170 VanDerWaalsContact C-N 3.32Å; K1168-R1170 PolarHBondContact O-N 3.29Å | ||
| 1169 | R | 34.3 | Very low | 42.2 | Very low | 250 Ų | 250 | 104.6 Ų | 104.6 | 94% | 0.943 | 57% | 0.567 | S | S | * | * | trans | -44.1 | 93.8 | 175.2 | -71.6 | -178.3 | -178.1 | 168.6 | -0.2 | 110.2 | S1167 | S1167-R1169 PolarHBondContact O-N 2.77Š| ||
| 1170 | R | 34.2 | Very low | 43.1 | Very low | 222 Ų | 222 | 108.6 Ų | 108.6 | 84% | 0.838 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 126.8 | 151.7 | -85.9 | -176 | 167.5 | 175.3 | -4.9 | 103.9 | K1168 S1172 | K1168-R1170 VanDerWaalsContact C-N 3.32Å; K1168-R1170 PolarHBondContact O-N 3.29Å; R1170-S1172 PolarHBondContact O-N 3.07Å |
| 1171 | P | 38.3 | Very low | 44 | Very low | 48 Ų | 48 | 105.4 Ų | 105.4 | 31% | 0.312 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -48.1 | 137.3 | 160.3 | 21.6 | -30.9 | 0 | 0 | 0 | 106.9 | Q1175 Q1176 | P1171-Q1175 HydrophobicContact CB-CB 3.82Å; P1171-Q1176 HydrophobicContact CB-CG 4.07Å; P1171-Q1176 HydrophobicContact CG-CG 3.63Å |
| 1172 | S | 50.8 | Low | 45.1 | Very low | 41 Ų | 41 | 103.7 Ų | 103.7 | 29% | 0.287 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -53.1 | 152 | 179 | 55.1 | 0 | 0 | 0 | 0 | 108.9 | R1170 S1174 Q1175 Q1176 | R1170-S1172 PolarHBondContact O-N 3.07Å; S1172-S1174 WeakPolarHBondContact CB-OG 3.01Å; S1172-S1174 CarbonylContact O-C 3.51Å; S1172-S1174 PolarHBondContact O-N 2.97Å; S1172-S1174 PolarHBondContact OG-OG 3.27Å; S1172-Q1175 PolarHBondContact O-N 2.91Å; S1172-Q1175 PolarHBondContact OG-N 2.71Å; S1172-Q1176 PolarHBondContact O-N 3.21Å; S1172-Q1176 VanDerWaalsContact O-N 3.16Å |
| 1173 | L | 48.7 | Very low | 46.2 | Very low | 124 Ų | 124 | 105.6 Ų | 105.6 | 65% | 0.649 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -51.3 | -36.7 | 177.8 | -169.2 | 71.9 | 0 | 0 | 0 | 110.4 | Q1176 L1177 | L1173-Q1176 PolarHBondContact O-N 2.82Å; L1173-L1177 HydrophobicContact CD2-CD1 4.42Å; L1173-L1177 HydrophobicContact CG-CD1 4.03Å; L1173-L1177 HydrophobicContact CG-CG 4.44Å; L1173-L1177 WeakPolarHBondContact O-CB 3.38Å; L1173-L1177 WeakPolarHBondContact O-CG 3.15Å; L1173-L1177 PolarHBondContact O-N 3.44Å |
| 1174 | S | 52.1 | Low | 47.5 | Very low | 9 Ų | 9 | 99.3 Ų | 99.3 | 6% | 0.063 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -59.1 | -43.3 | 170.4 | 54.7 | 0 | 0 | 0 | 0 | 115 | S1172 L1177 I1178 | S1172-S1174 WeakPolarHBondContact CB-OG 3.01Å; S1172-S1174 CarbonylContact O-C 3.51Å; S1172-S1174 PolarHBondContact O-N 2.97Å; S1172-S1174 PolarHBondContact OG-OG 3.27Å; S1174-L1177 PolarHBondContact O-N 2.9Å; S1174-I1178 WeakPolarHBondContact O-CB 3.08Å; S1174-I1178 WeakPolarHBondContact O-CD1 3.43Å; S1174-I1178 WeakPolarHBondContact O-CG1 3.37Å; S1174-I1178 PolarHBondContact O-N 2.73Å |
| 1175 | Q | 57.6 | Low | 49.3 | Very low | 103 Ų | 103 | 98 Ų | 98 | 48% | 0.481 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 175.8 | -85.3 | -172.3 | -43.8 | 0 | 0 | 112.1 | P1171 S1172 L1177 I1178 E1179 | P1171-Q1175 HydrophobicContact CB-CB 3.82Å; S1172-Q1175 PolarHBondContact O-N 2.91Å; S1172-Q1175 PolarHBondContact OG-N 2.71Å; Q1175-L1177 VanDerWaalsContact C-N 3.31Å; Q1175-L1177 PolarHBondContact O-N 2.7Å; Q1175-I1178 PolarHBondContact O-N 3.33Å; Q1175-E1179 WeakPolarHBondContact O-CG 3.46Å; Q1175-E1179 PolarHBondContact O-N 2.91Å |
| 1176 | Q | 57.7 | Low | 51.6 | Low | 90 Ų | 90 | 95.4 Ų | 95.4 | 42% | 0.421 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.3 | -35.6 | 175.7 | -60.2 | -169.2 | -49.4 | 0 | 0 | 112.2 | P1171 S1172 L1173 R1180 | P1171-Q1176 HydrophobicContact CB-CG 4.07Å; P1171-Q1176 HydrophobicContact CG-CG 3.63Å; S1172-Q1176 PolarHBondContact O-N 3.21Å; S1172-Q1176 VanDerWaalsContact O-N 3.16Å; L1173-Q1176 PolarHBondContact O-N 2.82Å; Q1176-R1180 WeakPolarHBondContact O-CB 3.31Å; Q1176-R1180 PolarHBondContact O-N 3.33Å |
| 1177 | L | 56.9 | Low | 53.7 | Low | 23 Ų | 23 | 91 Ų | 91 | 12% | 0.12 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -74.5 | -31.7 | 176.4 | -72.8 | 175.5 | 0 | 0 | 0 | 113 | H1098 D1101 L1173 S1174 Q1175 G1181 | H1098-L1177 VanDerWaalsContact CE1-CD2 3.42Å; H1098-L1177 WeakPolarHBondContact CE1-CD2 3.33Å; D1101-L1177 HydrophobicContact CB-CD1 3.93Å; L1173-L1177 HydrophobicContact CD2-CD1 4.42Å; L1173-L1177 HydrophobicContact CG-CD1 4.03Å; L1173-L1177 HydrophobicContact CG-CG 4.44Å; L1173-L1177 WeakPolarHBondContact O-CB 3.38Å; L1173-L1177 WeakPolarHBondContact O-CG 3.15Å; L1173-L1177 PolarHBondContact O-N 3.44Å; S1174-L1177 PolarHBondContact O-N 2.9Å; Q1175-L1177 VanDerWaalsContact C-N 3.31Å; Q1175-L1177 PolarHBondContact O-N 2.7Å; L1177-G1181 VanDerWaalsContact O-CA 3.26Å; L1177-G1181 WeakPolarHBondContact O-CA 3.18Å; L1177-G1181 PolarHBondContact O-N 3.38Å |
| 1178 | I | 59.1 | Low | 55.4 | Low | 63 Ų | 63 | 88.5 Ų | 88.5 | 32% | 0.323 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -70.5 | -39.6 | 172.4 | -69.6 | 162.7 | 0 | 0 | 0 | 110.3 | D1101 V1104 S1174 Q1175 G1181 | D1101-I1178 WeakPolarHBondContact O-CG1 3.06Å; V1104-I1178 HydrophobicContact CG2-CD1 4.2Å; V1104-I1178 HydrophobicContact CG2-CG1 4.46Å; S1174-I1178 WeakPolarHBondContact O-CB 3.08Å; S1174-I1178 WeakPolarHBondContact O-CD1 3.43Å; S1174-I1178 WeakPolarHBondContact O-CG1 3.37Å; S1174-I1178 PolarHBondContact O-N 2.73Å; Q1175-I1178 PolarHBondContact O-N 3.33Å; I1178-G1181 PolarHBondContact O-N 3.36Å |
| 1179 | E | 55.7 | Low | 56.9 | Low | 152 Ų | 152 | 85.8 Ų | 85.8 | 71% | 0.71 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64.1 | -43.9 | 173.7 | -74.3 | 173.9 | 177.3 | 0 | 0 | 111.9 | Q1175 G1181 | Q1175-E1179 WeakPolarHBondContact O-CG 3.46Å; Q1175-E1179 PolarHBondContact O-N 2.91Å; E1179-G1181 VanDerWaalsContact C-N 3.32Å |
| 1180 | R | 55.7 | Low | 58.5 | Low | 147 Ų | 147 | 76.2 Ų | 76.2 | 56% | 0.555 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -71 | -26.4 | 172.1 | -75.9 | -178.4 | 162 | -171.7 | -10.7 | 113.3 | Q1176 G1182 Q1183 | Q1176-R1180 WeakPolarHBondContact O-CB 3.31Å; Q1176-R1180 PolarHBondContact O-N 3.33Å; R1180-G1182 PolarHBondContact O-N 2.95Å; R1180-G1182 VanDerWaalsContact O-N 3.12Å; R1180-Q1183 PolarHBondContact O-N 3.25Å |
| 1181 | G | 57.4 | Low | 59.8 | Low | 7 Ų | 7 | 67.7 Ų | 67.7 | 7% | 0.072 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -64.4 | -12.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1177 I1178 E1179 Q1183 L1184 | L1177-G1181 VanDerWaalsContact O-CA 3.26Å; L1177-G1181 WeakPolarHBondContact O-CA 3.18Å; L1177-G1181 PolarHBondContact O-N 3.38Å; I1178-G1181 PolarHBondContact O-N 3.36Å; E1179-G1181 VanDerWaalsContact C-N 3.32Å; G1181-Q1183 PolarHBondContact O-N 3.36Å; G1181-Q1183 VanDerWaalsContact O-N 3.15Å; G1181-L1184 WeakPolarHBondContact O-CB 3.47Å; G1181-L1184 PolarHBondContact O-N 3.21Å |
| 1182 | G | 58.9 | Low | 60.8 | Low | 73 Ų | 73 | 69.2 Ų | 69.2 | 75% | 0.753 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -59.6 | -19.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1180 | R1180-G1182 PolarHBondContact O-N 2.95Å; R1180-G1182 VanDerWaalsContact O-N 3.12Å |
| 1183 | Q | 61.1 | Low | 61.1 | Low | 104 Ų | 104 | 72.5 Ų | 72.5 | 49% | 0.486 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -82.2 | -14.2 | 171.3 | -64.3 | -178.6 | -7.1 | 0 | 0 | 113.4 | R1180 G1181 | R1180-Q1183 PolarHBondContact O-N 3.25Å; G1181-Q1183 PolarHBondContact O-N 3.36Å; G1181-Q1183 VanDerWaalsContact O-N 3.15Å |
| 1184 | L | 63.2 | Low | 61.4 | Low | 25 Ų | 25 | 67.9 Ų | 67.9 | 13% | 0.131 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -96.7 | 142.5 | -176.6 | -58.8 | -178.5 | 0 | 0 | 0 | 111.2 | A1102 V1103 G1181 | A1102-L1184 HydrophobicContact CB-CD1 3.81Å; V1103-L1184 HydrophobicContact CG2-CB 4.07Å; G1181-L1184 WeakPolarHBondContact O-CB 3.47Å; G1181-L1184 PolarHBondContact O-N 3.21Å |
| 1185 | R | 71.1 | Confident | 61.2 | Low | 115 Ų | 115 | 70.8 Ų | 70.8 | 43% | 0.434 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -84.3 | 133 | 178.2 | -70.9 | 177.2 | 168.4 | -93.6 | -1.8 | 110.6 | D1008 N1057 Q1099 | D1008-R1185 IonicContact OD1-CZ 2.8Å; D1008-R1185 IonicContact OD1-NE 2.61Å; D1008-R1185 PolarHBondContact OD1-NE 2.93Å; D1008-R1185 IonicContact OD1-NH2 2.69Å; D1008-R1185 PolarHBondContact OD1-NH2 3.26Å; N1057-R1185 PolarHBondContact ND2-O 2.93Å; Q1099-R1185 PolarHBondContact NE2-O 3.42Å |
| 1186 | S | 76.8 | Confident | 60.8 | Low | 8 Ų | 8 | 68.7 Ų | 68.7 | 6% | 0.056 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 124.7 | 163.8 | 168 | 0 | 0 | 0 | 0 | 110.4 | D1106 Y1188 R1189 | D1106-S1186 WeakPolarHBondContact OD1-CA 3.42Å; D1106-S1186 WeakPolarHBondContact OD1-CB 3.33Å; D1106-S1186 PolarHBondContact OD1-OG 3.04Å; D1106-S1186 WeakPolarHBondContact OD2-CA 3.43Å; S1186-Y1188 PolarHBondContact OG-N 3.39Å; S1186-R1189 PolarHBondContact OG-N 2.85Å; S1186-R1189 VanDerWaalsContact OG-N 3.13Å |
| 1187 | I | 71.9 | Confident | 60.2 | Low | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.7 | -43.7 | 172.2 | -53.9 | 173.9 | 0 | 0 | 0 | 109.9 | W1011 N1057 I1060 F1061 D1106 L1109 R1189 H1190 L1191 | W1011-I1187 HydrophobicContact CH2-CB 4.34Å; W1011-I1187 HydrophobicContact CH2-CG1 3.91Å; W1011-I1187 HydrophobicContact CH2-CG2 4.22Å; W1011-I1187 HydrophobicContact CZ3-CG1 4.4Å; N1057-I1187 HydrophobicContact CB-CD1 3.62Å; N1057-I1187 HydrophobicContact CB-CG1 3.84Å; N1057-I1187 VanDerWaalsContact CG-CG1 3.47Å; N1057-I1187 WeakPolarHBondContact OD1-CD1 3.15Å; I1060-I1187 HydrophobicContact CB-CD1 3.73Å; I1060-I1187 HydrophobicContact CD1-CD1 3.4Å; I1060-I1187 HydrophobicContact CG1-CD1 4.14Å; I1060-I1187 HydrophobicContact CG2-CD1 3.72Å; F1061-I1187 HydrophobicContact CZ-CG2 4.45Å; D1106-I1187 PolarHBondContact OD1-N 3.43Å; D1106-I1187 PolarHBondContact OD2-N 3.43Å; L1109-I1187 HydrophobicContact CD2-CB 4.27Å; L1109-I1187 HydrophobicContact CD2-CG2 4.02Å; I1187-R1189 VanDerWaalsContact C-N 3.31Å; I1187-R1189 PolarHBondContact O-N 3.28Å; I1187-H1190 PolarHBondContact O-N 3.25Å; I1187-L1191 HydrophobicContact CG2-CD1 3.81Å; I1187-L1191 HydrophobicContact CG2-CG 4.11Å; I1187-L1191 PolarHBondContact O-N 3.17Å |
| 1188 | Y | 64.8 | Low | 59.6 | Low | 60 Ų | 60 | 72.7 Ų | 72.7 | 24% | 0.235 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.6 | -44.8 | -176.8 | 178.4 | -103.2 | 0 | 0 | 0 | 111.8 | E1105 D1106 S1186 H1190 L1191 L1192 | E1105-Y1188 HydrophobicContact CB-CD1 4.21Å; E1105-Y1188 WeakPolarHBondContact O-CB 3.37Å; D1106-Y1188 WeakPolarHBondContact OD1-CB 3.37Å; D1106-Y1188 PolarHBondContact OD1-N 3.28Å; S1186-Y1188 PolarHBondContact OG-N 3.39Å; Y1188-H1190 VanDerWaalsContact C-N 3.29Å; Y1188-H1190 PolarHBondContact O-N 3.39Å; Y1188-L1191 PolarHBondContact O-N 2.88Å; Y1188-L1192 HydrophobicContact CD1-CD1 3.93Å; Y1188-L1192 HydrophobicContact CE1-CD1 3.39Å; Y1188-L1192 HydrophobicContact CE1-CG 4.3Å; Y1188-L1192 HydrophobicContact CE2-CD1 4.42Å; Y1188-L1192 PolarHBondContact O-N 3.23Å; Y1188-L1192 VanDerWaalsContact O-N 3.1Å |
| 1189 | R | 69.4 | Low | 58.6 | Low | 137 Ų | 137 | 75.5 Ų | 75.5 | 52% | 0.517 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.1 | -34.4 | 177.6 | -157.8 | -177.6 | -59.8 | 131.7 | -0.1 | 112.4 | E1105 S1186 I1187 Q1193 | E1105-R1189 VanDerWaalsContact CD-NH2 3.3Å; E1105-R1189 IonicContact OE1-CZ 3.57Å; E1105-R1189 IonicContact OE1-NH2 1.87Å; E1105-R1189 PolarHBondContact OE1-NH2 2.79Å; E1105-R1189 IonicContact OE2-NH2 2.66Å; S1186-R1189 PolarHBondContact OG-N 2.85Å; S1186-R1189 VanDerWaalsContact OG-N 3.13Å; I1187-R1189 VanDerWaalsContact C-N 3.31Å; I1187-R1189 PolarHBondContact O-N 3.28Å; R1189-Q1193 PolarHBondContact O-N 3.36Å |
| 1190 | H | 66.8 | Low | 57.9 | Low | 49 Ų | 49 | 75.5 Ų | 75.5 | 23% | 0.227 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -74.3 | -43.5 | 177.3 | -177.1 | 56.8 | 0 | 0 | 0 | 112.8 | W1011 S1015 I1187 Y1188 L1192 Q1193 T1194 | W1011-H1190 HydrophobicContact CZ2-CB 4.14Å; W1011-H1190 AromaticContact CZ2-CD2 3.74Å; S1015-H1190 PolarHBondContact OG-CD2 2.97Å; S1015-H1190 PolarHBondContact OG-NE2 3.45Å; I1187-H1190 PolarHBondContact O-N 3.25Å; Y1188-H1190 VanDerWaalsContact C-N 3.29Å; Y1188-H1190 PolarHBondContact O-N 3.39Å; H1190-L1192 VanDerWaalsContact C-N 3.3Å; H1190-L1192 PolarHBondContact O-N 2.88Å; H1190-Q1193 WeakPolarHBondContact O-CA 3.29Å; H1190-Q1193 WeakPolarHBondContact O-CB 3.4Å; H1190-Q1193 PolarHBondContact O-N 3.09Å; H1190-T1194 PolarHBondContact O-N 2.81Å; H1190-T1194 PolarHBondContact O-OG1 3.47Å; H1190-T1194 VanDerWaalsContact O-OG1 3.07Å |
| 1191 | L | 62.7 | Low | 57 | Low | 43 Ų | 43 | 71 Ų | 71 | 23% | 0.225 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 176.8 | -70.6 | 174.6 | 0 | 0 | 0 | 112.4 | T1019 F1061 L1109 I1187 Y1188 Q1193 T1194 L1195 | T1019-L1191 HydrophobicContact CG2-CD2 4.16Å; F1061-L1191 HydrophobicContact CE1-CD2 4.21Å; L1109-L1191 HydrophobicContact CD2-CD1 4.49Å; I1187-L1191 HydrophobicContact CG2-CD1 3.81Å; I1187-L1191 HydrophobicContact CG2-CG 4.11Å; I1187-L1191 PolarHBondContact O-N 3.17Å; Y1188-L1191 PolarHBondContact O-N 2.88Å; L1191-Q1193 VanDerWaalsContact C-N 3.31Å; L1191-Q1193 PolarHBondContact O-N 2.92Å; L1191-T1194 WeakPolarHBondContact CA-OG1 3.14Å; L1191-T1194 PolarHBondContact O-OG1 3.47Å; L1191-L1195 WeakPolarHBondContact O-CB 3.45Å; L1191-L1195 VanDerWaalsContact O-CG 3.29Å; L1191-L1195 WeakPolarHBondContact O-CG 3.29Å; L1191-L1195 PolarHBondContact O-N 3.18Å; L1191-L1195 VanDerWaalsContact O-N 3.16Å |
| 1192 | L | 58.9 | Low | 56 | Low | 80 Ų | 80 | 75.8 Ų | 75.8 | 42% | 0.419 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.9 | -39.1 | 170.9 | -78.8 | 172.8 | 0 | 0 | 0 | 112.4 | Y1188 H1190 S1196 | Y1188-L1192 HydrophobicContact CD1-CD1 3.93Å; Y1188-L1192 HydrophobicContact CE1-CD1 3.39Å; Y1188-L1192 HydrophobicContact CE1-CG 4.3Å; Y1188-L1192 HydrophobicContact CE2-CD1 4.42Å; Y1188-L1192 PolarHBondContact O-N 3.23Å; Y1188-L1192 VanDerWaalsContact O-N 3.1Å; H1190-L1192 VanDerWaalsContact C-N 3.3Å; H1190-L1192 PolarHBondContact O-N 2.88Å; L1192-S1196 PolarHBondContact O-N 2.91Å |
| 1193 | Q | 57.6 | Low | 54.9 | Low | 110 Ų | 110 | 77.7 Ų | 77.7 | 51% | 0.514 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70.3 | -45.9 | -177.4 | -162.7 | 169.3 | 8.2 | 0 | 0 | 111.5 | R1189 H1190 L1191 L1195 S1196 E1197 | R1189-Q1193 PolarHBondContact O-N 3.36Å; H1190-Q1193 WeakPolarHBondContact O-CA 3.29Å; H1190-Q1193 WeakPolarHBondContact O-CB 3.4Å; H1190-Q1193 PolarHBondContact O-N 3.09Å; L1191-Q1193 VanDerWaalsContact C-N 3.31Å; L1191-Q1193 PolarHBondContact O-N 2.92Å; Q1193-L1195 PolarHBondContact O-N 3.34Å; Q1193-S1196 WeakPolarHBondContact O-CB 3.19Å; Q1193-S1196 PolarHBondContact O-N 3.01Å; Q1193-S1196 VanDerWaalsContact O-N 3.09Å; Q1193-S1196 PolarHBondContact O-OG 3.2Å; Q1193-E1197 PolarHBondContact O-N 3.23Å; Q1193-E1197 VanDerWaalsContact O-N 3.08Å |
| 1194 | T | 54.8 | Low | 53.8 | Low | 27 Ų | 27 | 77 Ų | 77 | 17% | 0.166 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 175 | 32.1 | 0 | 0 | 0 | 0 | 112.7 | H1190 L1191 S1196 E1197 Q1198 | H1190-T1194 PolarHBondContact O-N 2.81Å; H1190-T1194 PolarHBondContact O-OG1 3.47Å; H1190-T1194 VanDerWaalsContact O-OG1 3.07Å; L1191-T1194 WeakPolarHBondContact CA-OG1 3.14Å; L1191-T1194 PolarHBondContact O-OG1 3.47Å; T1194-S1196 VanDerWaalsContact C-N 3.29Å; T1194-S1196 PolarHBondContact O-N 2.94Å; T1194-E1197 PolarHBondContact O-N 3.01Å; T1194-Q1198 PolarHBondContact O-N 2.98Å |
| 1195 | L | 46.9 | Very low | 52.4 | Low | 69 Ų | 69 | 80 Ų | 80 | 36% | 0.361 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.2 | -32.1 | 172.9 | -72.6 | 170.8 | 0 | 0 | 0 | 112.9 | L1191 Q1193 E1197 R1199 L1257 | L1191-L1195 WeakPolarHBondContact O-CB 3.45Å; L1191-L1195 VanDerWaalsContact O-CG 3.29Å; L1191-L1195 WeakPolarHBondContact O-CG 3.29Å; L1191-L1195 PolarHBondContact O-N 3.18Å; L1191-L1195 VanDerWaalsContact O-N 3.16Å; Q1193-L1195 PolarHBondContact O-N 3.34Å; L1195-E1197 VanDerWaalsContact C-N 3.34Å; L1195-R1199 PolarHBondContact O-N 3.03Å; L1195-L1257 HydrophobicContact CD1-CD1 4.42Å; L1195-L1257 HydrophobicContact CD1-CD2 3.74Å; L1195-L1257 HydrophobicContact CD1-CG 4.01Å |
| 1196 | S | 49 | Very low | 50.7 | Low | 59 Ų | 59 | 84.8 Ų | 84.8 | 41% | 0.413 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -71.4 | -29.1 | 175.1 | 83.7 | 0 | 0 | 0 | 0 | 113 | L1192 Q1193 T1194 | L1192-S1196 PolarHBondContact O-N 2.91Å; Q1193-S1196 WeakPolarHBondContact O-CB 3.19Å; Q1193-S1196 PolarHBondContact O-N 3.01Å; Q1193-S1196 VanDerWaalsContact O-N 3.09Å; Q1193-S1196 PolarHBondContact O-OG 3.2Å; T1194-S1196 VanDerWaalsContact C-N 3.29Å; T1194-S1196 PolarHBondContact O-N 2.94Å |
| 1197 | E | 45.2 | Very low | 48.5 | Very low | 115 Ų | 115 | 92.9 Ų | 92.9 | 54% | 0.537 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -79.1 | -43.4 | 176.5 | -71.6 | 173.3 | 176.8 | 0 | 0 | 111.3 | Q1193 T1194 L1195 R1199 K1200 A1201 | Q1193-E1197 PolarHBondContact O-N 3.23Å; Q1193-E1197 VanDerWaalsContact O-N 3.08Å; T1194-E1197 PolarHBondContact O-N 3.01Å; L1195-E1197 VanDerWaalsContact C-N 3.34Å; E1197-R1199 VanDerWaalsContact C-N 3.34Å; E1197-R1199 PolarHBondContact O-N 3.24Å; E1197-K1200 WeakPolarHBondContact O-CB 3.11Å; E1197-K1200 PolarHBondContact O-N 3.31Å; E1197-K1200 VanDerWaalsContact O-N 3.09Å; E1197-A1201 PolarHBondContact O-N 3.14Å |
| 1198 | Q | 45.9 | Very low | 46.6 | Very low | 82 Ų | 82 | 99.6 Ų | 99.6 | 38% | 0.383 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59 | -41.4 | 174.8 | -75.2 | -171.7 | -23.4 | 0 | 0 | 112.5 | N1021 T1194 K1200 A1201 D1202 | N1021-Q1198 PolarHBondContact OD1-NE2 2.96Å; T1194-Q1198 PolarHBondContact O-N 2.98Å; Q1198-K1200 PolarHBondContact O-N 3.28Å; Q1198-A1201 WeakPolarHBondContact O-CB 3.48Å; Q1198-A1201 PolarHBondContact O-N 3.37Å; Q1198-D1202 PolarHBondContact O-N 3.28Å |
| 1199 | R | 37.5 | Very low | 45 | Very low | 123 Ų | 123 | 104.7 Ų | 104.7 | 46% | 0.464 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.6 | -30.3 | 175.6 | -77.8 | -176.4 | 177 | 179 | 1.3 | 113.7 | L1195 E1197 A1201 D1203 S1261 | L1195-R1199 PolarHBondContact O-N 3.03Å; E1197-R1199 VanDerWaalsContact C-N 3.34Å; E1197-R1199 PolarHBondContact O-N 3.24Å; R1199-A1201 VanDerWaalsContact C-N 3.3Å; R1199-D1203 PolarHBondContact O-N 3.47Å; R1199-S1261 PolarHBondContact NH2-OG 2.94Å |
| 1200 | K | 40.7 | Very low | 43 | Very low | 152 Ų | 152 | 108.6 Ų | 108.6 | 66% | 0.661 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -71.2 | -25.5 | 174.1 | -71 | 179.8 | -178.7 | 173.4 | 0 | 112.4 | E1197 Q1198 I1204 | E1197-K1200 WeakPolarHBondContact O-CB 3.11Å; E1197-K1200 PolarHBondContact O-N 3.31Å; E1197-K1200 VanDerWaalsContact O-N 3.09Å; Q1198-K1200 PolarHBondContact O-N 3.28Å; K1200-I1204 VanDerWaalsContact O-CD1 3.26Å; K1200-I1204 WeakPolarHBondContact O-CD1 3.33Å; K1200-I1204 VanDerWaalsContact O-CG1 3.25Å; K1200-I1204 WeakPolarHBondContact O-CG1 3.33Å |
| 1201 | A | 37.6 | Very low | 41.1 | Very low | 52 Ų | 52 | 113.2 Ų | 113.2 | 43% | 0.43 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -74.9 | -46.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1197 Q1198 R1199 D1203 I1204 D1205 | E1197-A1201 PolarHBondContact O-N 3.14Å; Q1198-A1201 WeakPolarHBondContact O-CB 3.48Å; Q1198-A1201 PolarHBondContact O-N 3.37Å; R1199-A1201 VanDerWaalsContact C-N 3.3Å; A1201-D1203 VanDerWaalsContact C-N 3.35Å; A1201-D1203 PolarHBondContact O-N 3.48Å; A1201-I1204 WeakPolarHBondContact O-CA 3.2Å; A1201-I1204 WeakPolarHBondContact O-CB 3.36Å; A1201-I1204 PolarHBondContact O-N 3.41Å; A1201-D1205 PolarHBondContact O-N 2.76Å |
| 1202 | D | 35.1 | Very low | 39.4 | Very low | 108 Ų | 108 | 116.5 Ų | 116.5 | 58% | 0.578 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60.5 | -39.7 | -179.3 | -76.6 | -20.6 | 0 | 0 | 0 | 113.3 | Q1198 I1204 D1205 R1206 | Q1198-D1202 PolarHBondContact O-N 3.28Å; D1202-I1204 VanDerWaalsContact C-N 3.27Å; D1202-I1204 PolarHBondContact O-N 3.02Å; D1202-D1205 PolarHBondContact O-N 3.31Å; D1202-R1206 PolarHBondContact O-N 3.3Å |
| 1203 | D | 36.4 | Very low | 37.7 | Very low | 112 Ų | 112 | 119.5 Ų | 119.5 | 60% | 0.599 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.5 | -27.1 | 175.4 | -87.9 | -23.1 | 0 | 0 | 0 | 112.2 | R1199 A1201 F1207 | R1199-D1203 PolarHBondContact O-N 3.47Å; A1201-D1203 VanDerWaalsContact C-N 3.35Å; A1201-D1203 PolarHBondContact O-N 3.48Å; D1203-F1207 WeakPolarHBondContact O-CD2 3.41Å; D1203-F1207 PolarHBondContact O-N 2.99Å |
| 1204 | I | 37.1 | Very low | 36.1 | Very low | 89 Ų | 89 | 124.5 Ų | 124.5 | 46% | 0.456 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -75.1 | -43.6 | 175.3 | -70.5 | 169.4 | 0 | 0 | 0 | 110.9 | K1200 A1201 D1202 F1207 K1208 | K1200-I1204 VanDerWaalsContact O-CD1 3.26Å; K1200-I1204 WeakPolarHBondContact O-CD1 3.33Å; K1200-I1204 VanDerWaalsContact O-CG1 3.25Å; K1200-I1204 WeakPolarHBondContact O-CG1 3.33Å; A1201-I1204 WeakPolarHBondContact O-CA 3.2Å; A1201-I1204 WeakPolarHBondContact O-CB 3.36Å; A1201-I1204 PolarHBondContact O-N 3.41Å; D1202-I1204 VanDerWaalsContact C-N 3.27Å; D1202-I1204 PolarHBondContact O-N 3.02Å; I1204-F1207 WeakPolarHBondContact O-CB 3.49Å; I1204-F1207 PolarHBondContact O-N 3.36Å; I1204-K1208 HydrophobicContact CG2-CD 4.1Å; I1204-K1208 PolarHBondContact O-N 3.48Å |
| 1205 | D | 35.1 | Very low | 34.7 | Very low | 88 Ų | 88 | 126.6 Ų | 126.6 | 47% | 0.471 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -72.3 | -31.1 | -179.7 | -80.3 | -9.2 | 0 | 0 | 0 | 112.5 | A1201 D1202 F1207 K1208 H1209 | A1201-D1205 PolarHBondContact O-N 2.76Å; D1202-D1205 PolarHBondContact O-N 3.31Å; D1205-F1207 PolarHBondContact O-N 2.76Å; D1205-K1208 PolarHBondContact O-N 3.12Å; D1205-H1209 PolarHBondContact O-N 3.22Å |
| 1206 | R | 33.9 | Very low | 33.6 | Very low | 216 Ų | 216 | 132.8 Ų | 132.8 | 82% | 0.815 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -62.1 | -27.1 | 166.3 | -85.1 | -170.8 | 165.2 | -151 | -4.2 | 113.7 | D1202 | D1202-R1206 PolarHBondContact O-N 3.3Å |
| 1207 | F | 31.8 | Very low | 32.4 | Very low | 179 Ų | 179 | 134.7 Ų | 134.7 | 79% | 0.785 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -82.1 | -31 | 174.5 | -103.2 | -87.3 | 0 | 0 | 0 | 113.4 | D1203 I1204 D1205 | D1203-F1207 WeakPolarHBondContact O-CD2 3.41Å; D1203-F1207 PolarHBondContact O-N 2.99Å; I1204-F1207 WeakPolarHBondContact O-CB 3.49Å; I1204-F1207 PolarHBondContact O-N 3.36Å; D1205-F1207 PolarHBondContact O-N 2.76Å |
| 1208 | K | 31.7 | Very low | 31.4 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 61% | 0.613 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -77.2 | -27.6 | -175.7 | -74.9 | 176.8 | 178.6 | 173.2 | 0 | 114.9 | I1204 D1205 R1210 | I1204-K1208 HydrophobicContact CG2-CD 4.1Å; I1204-K1208 PolarHBondContact O-N 3.48Å; D1205-K1208 PolarHBondContact O-N 3.12Å; K1208-R1210 VanDerWaalsContact C-N 3.28Å; K1208-R1210 PolarHBondContact O-N 2.77Å |
| 1209 | H | 31.2 | Very low | 30.4 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 9.9 | -175.9 | -83.2 | -69.3 | 0 | 0 | 0 | 116.3 | D1205 | D1205-H1209 PolarHBondContact O-N 3.22Š|
| 1210 | R | 27.4 | Very low | 29.9 | Very low | 219 Ų | 219 | 147.2 Ų | 147.2 | 83% | 0.826 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -19.7 | -175.9 | -165.6 | 164.3 | -179.4 | 168.4 | 0.4 | 116.1 | K1208 | K1208-R1210 VanDerWaalsContact C-N 3.28Å; K1208-R1210 PolarHBondContact O-N 2.77Å |
| 1211 | D | 26.5 | Very low | 29.2 | Very low | 146 Ų | 146 | 148.9 Ų | 148.9 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -114.2 | 11.6 | -165.1 | -81.4 | -39.1 | 0 | 0 | 0 | 117.3 | ||
| 1212 | S | 26.4 | Very low | 28.8 | Very low | 113 Ų | 113 | 154.1 Ų | 154.1 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -133.9 | 65.7 | -178.7 | -70.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1213 | T | 24.6 | Very low | 28.6 | Very low | 142 Ų | 142 | 157.7 Ų | 157.7 | 87% | 0.871 | 78% | 0.778 | S | S | * | * | -178.9 | 100.1 | 128.3 | 31.8 | 0 | 0 | 0 | 0 | 110.2 | G1215 | T1213-G1215 PolarHBondContact O-N 2.82Š| |||
| 1214 | K | 22.8 | Very low | 28.3 | Very low | 216 Ų | 216 | 160.2 Ų | 160.2 | 94% | 0.939 | 79% | 0.786 | S | S | * | * | trans | -78.8 | 76.9 | 164 | -73.3 | 175.3 | 179.6 | 167.4 | 0 | 109 | ||||
| 1215 | G | 26 | Very low | 28.1 | Very low | 71 Ų | 71 | 162.5 Ų | 162.5 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | trans | -83.2 | 132.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1213 | T1213-G1215 PolarHBondContact O-N 2.82Š| ||
| 1216 | E | 24.1 | Very low | 28 | Very low | 198 Ų | 198 | 165.6 Ų | 165.6 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | trans | -76.5 | 156.1 | 179.3 | -61 | 177.3 | 127.3 | 0 | 0 | 112.8 | ||||
| 1217 | A | 24.2 | Very low | 27.9 | Very low | 99 Ų | 99 | 162.7 Ų | 162.7 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | 125 | 95 | 153.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1218 | K | 24.2 | Very low | 27.9 | Very low | 202 Ų | 202 | 160.6 Ų | 160.6 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | trans | -71 | 159.9 | 155.5 | -69.6 | -179.6 | 177 | 179.1 | 0 | 109.1 | ||||
| 1219 | Q | 25.1 | Very low | 27.9 | Very low | 183 Ų | 183 | 160.4 Ų | 160.4 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | 86.7 | 67.2 | 174 | -50.9 | 178.3 | 5.8 | 0 | 0 | 116.6 | ||||
| 1220 | Q | 25.4 | Very low | 27.8 | Very low | 199 Ų | 199 | 160.2 Ų | 160.2 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | trans | -153.9 | 37.7 | 145.3 | -118.5 | 161.4 | 78.7 | 0 | 0 | 114.7 | Q1222 | Q1220-Q1222 PolarHBondContact O-N 2.98Š| ||
| 1221 | Q | 26.5 | Very low | 27.8 | Very low | 186 Ų | 186 | 157.4 Ų | 157.4 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | -80.2 | 106.1 | 154.7 | -79.4 | -179.5 | -18.8 | 0 | 0 | 108.3 | ||||
| 1222 | Q | 29.9 | Very low | 27.9 | Very low | 162 Ų | 162 | 157.5 Ų | 157.5 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 171.8 | -6.5 | 139.9 | -96.6 | 168 | 8.7 | 0 | 0 | 116.6 | Q1220 | Q1220-Q1222 PolarHBondContact O-N 2.98Š|
| 1223 | Q | 30.4 | Very low | 27.9 | Very low | 183 Ų | 183 | 159.9 Ų | 159.9 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -105.2 | -7.5 | -176.8 | -78.3 | -173.3 | -6 | 0 | 0 | 117.5 | ||
| 1224 | Q | 31 | Very low | 27.9 | Very low | 165 Ų | 165 | 161.5 Ų | 161.5 | 77% | 0.771 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -96.3 | -10.8 | 171.5 | -77.7 | 177.6 | -12.3 | 0 | 0 | 114.5 | Q1226 Q1227 | Q1224-Q1226 PolarHBondContact O-N 3.04Å; Q1224-Q1227 PolarHBondContact O-N 3.23Å |
| 1225 | Q | 32.2 | Very low | 27.9 | Very low | 137 Ų | 137 | 160.1 Ų | 160.1 | 64% | 0.64 | 78% | 0.781 | S | S | * | * | H | α-helix | trans | -68.4 | -9.6 | 172.9 | -87 | 179.9 | -21.3 | 0 | 0 | 114.3 | ||
| 1226 | Q | 33.7 | Very low | 27.7 | Very low | 153 Ų | 153 | 161.7 Ų | 161.7 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | H | α-helix | trans | -94.6 | -4.4 | 175.7 | -73.1 | -174.2 | -7.5 | 0 | 0 | 114.8 | Q1224 | Q1224-Q1226 PolarHBondContact O-N 3.04Å |
| 1227 | Q | 31.7 | Very low | 27.7 | Very low | 155 Ų | 155 | 156.6 Ų | 156.6 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | H | α-helix | trans | -101.5 | -23.5 | 171.6 | -86 | -179.7 | -17.4 | 0 | 0 | 114 | Q1224 | Q1224-Q1227 PolarHBondContact O-N 3.23Å |
| 1228 | Q | 31.8 | Very low | 27.6 | Very low | 135 Ų | 135 | 161.1 Ų | 161.1 | 63% | 0.631 | 78% | 0.777 | S | S | * | * | H | α-helix | trans | -73.9 | -33.6 | 172.3 | -81.5 | 174.4 | -33.5 | 0 | 0 | 113 | Q1230 Q1231 E1232 | Q1228-Q1230 PolarHBondContact O-N 3.17Å; Q1228-Q1231 PolarHBondContact O-N 3.19Å; Q1228-Q1231 VanDerWaalsContact O-N 3.11Å; Q1228-E1232 PolarHBondContact O-N 3.22Å |
| 1229 | Q | 31.1 | Very low | 27.5 | Very low | 138 Ų | 138 | 160.4 Ų | 160.4 | 65% | 0.645 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 0.2 | 178.3 | -71.4 | -172.2 | -13.8 | 0 | 0 | 115.4 | ||
| 1230 | Q | 29.1 | Very low | 27.4 | Very low | 163 Ų | 163 | 159.6 Ų | 159.6 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | -4.5 | 170.6 | -71.3 | -171.7 | -3.6 | 0 | 0 | 114 | Q1228 | Q1228-Q1230 PolarHBondContact O-N 3.17Š|
| 1231 | Q | 27.4 | Very low | 27.4 | Very low | 160 Ų | 160 | 156.3 Ų | 156.3 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | -19.8 | 171.9 | -77.1 | -176.7 | -29 | 0 | 0 | 113.4 | Q1228 Q1233 | Q1228-Q1231 PolarHBondContact O-N 3.19Å; Q1228-Q1231 VanDerWaalsContact O-N 3.11Å; Q1231-Q1233 PolarHBondContact O-N 2.91Å; Q1231-Q1233 VanDerWaalsContact O-N 3.1Å |
| 1232 | E | 27.6 | Very low | 27.2 | Very low | 148 Ų | 148 | 154.5 Ų | 154.5 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 4.2 | 173.1 | -70 | -179.9 | 145 | 0 | 0 | 114.7 | Q1228 | Q1228-E1232 PolarHBondContact O-N 3.22Š|
| 1233 | Q | 26.4 | Very low | 27 | Very low | 163 Ų | 163 | 154.3 Ų | 154.3 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | 10.1 | 177.3 | -73.4 | -168.3 | -6.4 | 0 | 0 | 115.1 | Q1231 | Q1231-Q1233 PolarHBondContact O-N 2.91Å; Q1231-Q1233 VanDerWaalsContact O-N 3.1Å |
| 1234 | Q | 24.9 | Very low | 26.6 | Very low | 176 Ų | 176 | 153.5 Ų | 153.5 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -128.7 | 9.6 | -179.8 | -87.2 | -177.8 | -13.7 | 0 | 0 | 116.7 | ||
| 1235 | Q | 23.4 | Very low | 26.3 | Very low | 186 Ų | 186 | 150.1 Ų | 150.1 | 87% | 0.869 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -132.1 | 18.2 | 173.3 | -72.3 | -170.9 | -38.8 | 0 | 0 | 115 | A1237 | Q1235-A1237 VanDerWaalsContact C-N 3.28Å; Q1235-A1237 PolarHBondContact O-N 3.08Å |
| 1236 | S | 21.5 | Very low | 25.9 | Very low | 105 Ų | 105 | 146.9 Ų | 146.9 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 43.9 | 174.8 | 64 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1237 | A | 23.8 | Very low | 25.4 | Very low | 90 Ų | 90 | 142.1 Ų | 142.1 | 74% | 0.744 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.3 | -2.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q1235 | Q1235-A1237 VanDerWaalsContact C-N 3.28Å; Q1235-A1237 PolarHBondContact O-N 3.08Å |
| 1238 | E | 23.1 | Very low | 25.3 | Very low | 194 Ų | 194 | 137 Ų | 137 | 91% | 0.907 | 71% | 0.708 | S | S | * | * | trans | -129.3 | 55.1 | -179.8 | -67.5 | -171.7 | 154 | 0 | 0 | 111.6 | ||||
| 1239 | E | 22.1 | Very low | 25.1 | Very low | 188 Ų | 188 | 133 Ų | 133 | 88% | 0.879 | 69% | 0.691 | S | S | * | * | trans | -123.7 | 41.9 | 179.2 | -123.6 | -175.7 | -170.5 | 0 | 0 | 112.2 | ||||
| 1240 | I | 22.7 | Very low | 25 | Very low | 165 Ų | 165 | 128.7 Ų | 128.7 | 85% | 0.846 | 67% | 0.673 | S | S | * | * | trans | -143.1 | 58.3 | 174.7 | -40.9 | 177.5 | 0 | 0 | 0 | 112.6 | ||||
| 1241 | V | 24.3 | Very low | 25.2 | Very low | 130 Ų | 130 | 128.2 Ų | 128.2 | 79% | 0.788 | 67% | 0.668 | S | S | * | * | trans | -151 | 77.9 | 159.8 | -166.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1242 | E | 23.7 | Very low | 25.5 | Very low | 148 Ų | 148 | 123.1 Ų | 123.1 | 69% | 0.692 | 65% | 0.646 | S | S | * | * | trans | -113.7 | -12.3 | 173.5 | -72.7 | -146.5 | 114.3 | 0 | 0 | 115.6 | E1244 Q1245 | E1242-E1244 PolarHBondContact O-N 3.04Å; E1242-Q1245 WeakPolarHBondContact O-CG 3.47Å; E1242-Q1245 PolarHBondContact O-N 3.48Å; E1242-Q1245 PolarHBondContact OE1-NE2 2.83Å | ||
| 1243 | D | 24.8 | Very low | 25.6 | Very low | 159 Ų | 159 | 117.8 Ų | 117.8 | 85% | 0.85 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -2.9 | -168.7 | -86.3 | -43.2 | 0 | 0 | 0 | 116.8 | ||
| 1244 | E | 22.4 | Very low | 26 | Very low | 166 Ų | 166 | 113 Ų | 113 | 78% | 0.776 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -6.2 | 172.6 | -76.1 | -158.1 | 127.1 | 0 | 0 | 114.4 | E1242 C1246 A1247 | E1242-E1244 PolarHBondContact O-N 3.04Å; E1244-C1246 VanDerWaalsContact C-N 3.34Å; E1244-C1246 PolarHBondContact O-N 3.34Å; E1244-C1246 VanDerWaalsContact O-N 3.17Å; E1244-A1247 PolarHBondContact O-N 3.45Å |
| 1245 | Q | 24.3 | Very low | 26.5 | Very low | 93 Ų | 93 | 108.7 Ų | 108.7 | 44% | 0.435 | 59% | 0.587 | S | S | . | * | G | 310 helix | trans | -66.2 | -23.6 | -165.1 | -71 | -174.1 | 27.9 | 0 | 0 | 115.5 | E1242 A1247 A1248 D1249 | E1242-Q1245 WeakPolarHBondContact O-CG 3.47Å; E1242-Q1245 PolarHBondContact O-N 3.48Å; E1242-Q1245 PolarHBondContact OE1-NE2 2.83Å; Q1245-A1247 PolarHBondContact O-N 3.23Å; Q1245-A1248 WeakPolarHBondContact O-CA 3.43Å; Q1245-A1248 VanDerWaalsContact O-CB 3.28Å; Q1245-A1248 WeakPolarHBondContact O-CB 3.18Å; Q1245-A1248 PolarHBondContact O-N 3.22Å; Q1245-D1249 PolarHBondContact O-N 3.34Å |
| 1246 | C | 23.8 | Very low | 26.9 | Very low | 69 Ų | 69 | 103 Ų | 103 | 47% | 0.466 | 56% | 0.561 | S | S | . | * | G | 310 helix | trans | -70.8 | -15.4 | 178.7 | -78 | 0 | 0 | 0 | 0 | 114.7 | E1244 A1248 L1406 | E1244-C1246 VanDerWaalsContact C-N 3.34Å; E1244-C1246 PolarHBondContact O-N 3.34Å; E1244-C1246 VanDerWaalsContact O-N 3.17Å; C1246-A1248 VanDerWaalsContact C-N 3.28Å; C1246-L1406 HydrophobicContact CB-CD1 3.25Å; C1246-L1406 HydrophobicContact CB-CD2 4.44Å; C1246-L1406 HydrophobicContact CB-CG 4.47Å |
| 1247 | A | 24.1 | Very low | 27.4 | Very low | 54 Ų | 54 | 101.3 Ų | 101.3 | 45% | 0.446 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -76.4 | -17.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1244 Q1245 | E1244-A1247 PolarHBondContact O-N 3.45Å; Q1245-A1247 PolarHBondContact O-N 3.23Å |
| 1248 | A | 28.5 | Very low | 27.8 | Very low | 46 Ų | 46 | 102.6 Ų | 102.6 | 38% | 0.38 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -26.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q1245 C1246 L1250 K1251 D1252 | Q1245-A1248 WeakPolarHBondContact O-CA 3.43Å; Q1245-A1248 VanDerWaalsContact O-CB 3.28Å; Q1245-A1248 WeakPolarHBondContact O-CB 3.18Å; Q1245-A1248 PolarHBondContact O-N 3.22Å; C1246-A1248 VanDerWaalsContact C-N 3.28Å; A1248-L1250 PolarHBondContact O-N 3.06Å; A1248-L1250 VanDerWaalsContact O-N 3.09Å; A1248-K1251 WeakPolarHBondContact O-CA 3.42Å; A1248-K1251 WeakPolarHBondContact O-CB 3.35Å; A1248-K1251 PolarHBondContact O-N 3.41Å; A1248-D1252 PolarHBondContact O-N 2.75Å |
| 1249 | D | 28 | Very low | 28.1 | Very low | 51 Ų | 51 | 100.4 Ų | 100.4 | 27% | 0.273 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -14.8 | -179.7 | -94.6 | 2.6 | 0 | 0 | 0 | 114.4 | Q1245 R1259 | Q1245-D1249 PolarHBondContact O-N 3.34Å; D1249-R1259 IonicContact OD1-NH1 3.5Å; D1249-R1259 IonicContact OD1-NH2 3.33Å; D1249-R1259 IonicContact OD2-CZ 2.9Å; D1249-R1259 VanDerWaalsContact OD2-CZ 3.23Å; D1249-R1259 IonicContact OD2-NH1 2.96Å; D1249-R1259 PolarHBondContact OD2-NH1 2.95Å; D1249-R1259 IonicContact OD2-NH2 3.8Å; D1249-R1259 PolarHBondContact OD2-NH2 2.8Å |
| 1250 | L | 29.4 | Very low | 28.5 | Very low | 49 Ų | 49 | 94 Ų | 94 | 26% | 0.257 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -5.5 | 169.4 | -96.1 | 167.2 | 0 | 0 | 0 | 114 | H1112 A1248 L1290 | H1112-L1250 PolarHBondContact NE2-O 3.42Å; A1248-L1250 PolarHBondContact O-N 3.06Å; A1248-L1250 VanDerWaalsContact O-N 3.09Å; L1250-L1290 HydrophobicContact CD2-CD2 4.14Å |
| 1251 | K | 33 | Very low | 28.9 | Very low | 152 Ų | 152 | 87.4 Ų | 87.4 | 66% | 0.661 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -25.1 | 177.1 | -65.9 | -178.5 | 178 | 176.5 | 0 | 112.8 | R1067 A1248 P1253 | R1067-K1251 WeakPolarHBondContact CD-O 3.35Å; R1067-K1251 PolarHBondContact NH1-O 2.81Å; A1248-K1251 WeakPolarHBondContact O-CA 3.42Å; A1248-K1251 WeakPolarHBondContact O-CB 3.35Å; A1248-K1251 PolarHBondContact O-N 3.41Å; K1251-P1253 WeakPolarHBondContact O-CD 3.33Å |
| 1252 | D | 34.5 | Very low | 29.1 | Very low | 53 Ų | 53 | 84.4 Ų | 84.4 | 28% | 0.283 | 44% | 0.437 | S | S | . | . | trans | -111 | 101.7 | -169.7 | -169.9 | -1.8 | 0 | 0 | 0 | 113.2 | A1248 S1254 | A1248-D1252 PolarHBondContact O-N 2.75Å; D1252-S1254 VanDerWaalsContact C-N 3.26Å; D1252-S1254 VanDerWaalsContact CG-OG 3.24Å; D1252-S1254 PolarHBondContact O-N 3.36Å; D1252-S1254 VanDerWaalsContact OD1-CB 3.31Å; D1252-S1254 WeakPolarHBondContact OD1-CB 3.45Å; D1252-S1254 PolarHBondContact OD1-N 3.16Å; D1252-S1254 PolarHBondContact OD1-OG 3.4Å; D1252-S1254 PolarHBondContact OD2-OG 2.98Å | ||
| 1253 | P | 29.8 | Very low | 29.3 | Very low | 37 Ų | 37 | 82.6 Ų | 82.6 | 24% | 0.24 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -71.6 | -20.1 | 177.8 | 27 | -29.1 | 0 | 0 | 0 | 112.8 | K1251 K1255 M1256 L1257 | K1251-P1253 WeakPolarHBondContact O-CD 3.33Å; P1253-K1255 PolarHBondContact O-N 3.5Å; P1253-M1256 PolarHBondContact O-N 3.39Å; P1253-M1256 VanDerWaalsContact O-N 3.11Å; P1253-L1257 WeakPolarHBondContact O-CB 3.08Å; P1253-L1257 PolarHBondContact O-N 3.39Å |
| 1254 | S | 33.9 | Very low | 29.4 | Very low | 63 Ų | 63 | 78.5 Ų | 78.5 | 44% | 0.441 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | -179.1 | 73.2 | 0 | 0 | 0 | 0 | 110.3 | D1252 M1256 L1257 E1258 | D1252-S1254 VanDerWaalsContact C-N 3.26Å; D1252-S1254 VanDerWaalsContact CG-OG 3.24Å; D1252-S1254 PolarHBondContact O-N 3.36Å; D1252-S1254 VanDerWaalsContact OD1-CB 3.31Å; D1252-S1254 WeakPolarHBondContact OD1-CB 3.45Å; D1252-S1254 PolarHBondContact OD1-N 3.16Å; D1252-S1254 PolarHBondContact OD1-OG 3.4Å; D1252-S1254 PolarHBondContact OD2-OG 2.98Å; S1254-M1256 VanDerWaalsContact C-N 3.32Å; S1254-M1256 PolarHBondContact O-N 3.2Å; S1254-L1257 WeakPolarHBondContact O-CB 3.5Å; S1254-L1257 PolarHBondContact O-N 3.01Å; S1254-E1258 PolarHBondContact O-N 3.2Å |
| 1255 | K | 35.5 | Very low | 29.8 | Very low | 84 Ų | 84 | 79.6 Ų | 79.6 | 37% | 0.365 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.1 | -28.4 | 172.8 | -72.9 | -175 | 179.8 | 179.7 | 0 | 113.8 | P1253 R1259 | P1253-K1255 PolarHBondContact O-N 3.5Å; K1255-R1259 VanDerWaalsContact O-CB 3.25Å; K1255-R1259 WeakPolarHBondContact O-CB 3.47Å; K1255-R1259 VanDerWaalsContact O-CG 3.3Å; K1255-R1259 WeakPolarHBondContact O-CG 3.18Å; K1255-R1259 PolarHBondContact O-N 3.36Å |
| 1256 | M | 32.4 | Very low | 29.7 | Very low | 66 Ų | 66 | 83.4 Ų | 83.4 | 33% | 0.325 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -71.2 | -42 | 172.7 | -165.9 | 177.6 | 83.4 | 0 | 0 | 111.1 | P1253 S1254 R1259 M1260 | P1253-M1256 PolarHBondContact O-N 3.39Å; P1253-M1256 VanDerWaalsContact O-N 3.11Å; S1254-M1256 VanDerWaalsContact C-N 3.32Å; S1254-M1256 PolarHBondContact O-N 3.2Å; M1256-R1259 PolarHBondContact O-N 3.25Å; M1256-M1260 PolarHBondContact O-N 2.63Å |
| 1257 | L | 32.3 | Very low | 29.7 | Very low | 70 Ų | 70 | 83.7 Ų | 83.7 | 37% | 0.366 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 175.5 | -157.1 | 62.2 | 0 | 0 | 0 | 110.7 | L1195 P1253 S1254 S1261 | L1195-L1257 HydrophobicContact CD1-CD1 4.42Å; L1195-L1257 HydrophobicContact CD1-CD2 3.74Å; L1195-L1257 HydrophobicContact CD1-CG 4.01Å; P1253-L1257 WeakPolarHBondContact O-CB 3.08Å; P1253-L1257 PolarHBondContact O-N 3.39Å; S1254-L1257 WeakPolarHBondContact O-CB 3.5Å; S1254-L1257 PolarHBondContact O-N 3.01Å; L1257-S1261 WeakPolarHBondContact O-CB 3.34Å; L1257-S1261 PolarHBondContact O-N 3.42Å |
| 1258 | E | 32.5 | Very low | 29.7 | Very low | 118 Ų | 118 | 91.2 Ų | 91.2 | 55% | 0.551 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65.3 | -44.4 | 172.2 | -75.9 | -158.5 | 131.6 | 0 | 0 | 113.1 | S1254 S1261 N1262 | S1254-E1258 PolarHBondContact O-N 3.2Å; E1258-S1261 CarbonylContact O-C 3.52Å; E1258-S1261 WeakPolarHBondContact O-CA 3.5Å; E1258-S1261 WeakPolarHBondContact O-CB 3.48Å; E1258-S1261 PolarHBondContact O-N 3.45Å; E1258-S1261 PolarHBondContact O-OG 2.68Å; E1258-N1262 WeakPolarHBondContact O-CB 3.35Å; E1258-N1262 PolarHBondContact O-N 2.95Å; E1258-N1262 PolarHBondContact O-ND2 3.29Å |
| 1259 | R | 29.2 | Very low | 29.5 | Very low | 147 Ų | 147 | 95.9 Ų | 95.9 | 56% | 0.555 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.6 | -37.5 | 178.1 | -80.3 | -177.9 | 179.6 | 156.5 | 3.7 | 112.1 | D1249 K1255 M1256 S1261 N1262 L1263 | D1249-R1259 IonicContact OD1-NH1 3.5Å; D1249-R1259 IonicContact OD1-NH2 3.33Å; D1249-R1259 IonicContact OD2-CZ 2.9Å; D1249-R1259 VanDerWaalsContact OD2-CZ 3.23Å; D1249-R1259 IonicContact OD2-NH1 2.96Å; D1249-R1259 PolarHBondContact OD2-NH1 2.95Å; D1249-R1259 IonicContact OD2-NH2 3.8Å; D1249-R1259 PolarHBondContact OD2-NH2 2.8Å; K1255-R1259 VanDerWaalsContact O-CB 3.25Å; K1255-R1259 WeakPolarHBondContact O-CB 3.47Å; K1255-R1259 VanDerWaalsContact O-CG 3.3Å; K1255-R1259 WeakPolarHBondContact O-CG 3.18Å; K1255-R1259 PolarHBondContact O-N 3.36Å; M1256-R1259 PolarHBondContact O-N 3.25Å; R1259-S1261 VanDerWaalsContact C-N 3.34Å; R1259-N1262 PolarHBondContact O-N 2.92Å; R1259-L1263 PolarHBondContact O-N 3.05Å |
| 1260 | M | 28.9 | Very low | 29.4 | Very low | 55 Ų | 55 | 98.9 Ų | 98.9 | 27% | 0.271 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -37.7 | 168 | -75.1 | -170.1 | 175.7 | 0 | 0 | 111.7 | M1256 N1262 L1263 S1264 | M1256-M1260 PolarHBondContact O-N 2.63Å; M1260-N1262 VanDerWaalsContact C-N 3.28Å; M1260-N1262 PolarHBondContact O-N 2.92Å; M1260-L1263 PolarHBondContact O-N 3.31Å; M1260-S1264 PolarHBondContact O-N 3.32Å |
| 1261 | S | 32.6 | Very low | 29.3 | Very low | 25 Ų | 25 | 104.9 Ų | 104.9 | 18% | 0.175 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -68.8 | -23.1 | 173 | 98 | 0 | 0 | 0 | 0 | 114 | R1199 L1257 E1258 R1259 S1264 | R1199-S1261 PolarHBondContact NH2-OG 2.94Å; L1257-S1261 WeakPolarHBondContact O-CB 3.34Å; L1257-S1261 PolarHBondContact O-N 3.42Å; E1258-S1261 CarbonylContact O-C 3.52Å; E1258-S1261 WeakPolarHBondContact O-CA 3.5Å; E1258-S1261 WeakPolarHBondContact O-CB 3.48Å; E1258-S1261 PolarHBondContact O-N 3.45Å; E1258-S1261 PolarHBondContact O-OG 2.68Å; R1259-S1261 VanDerWaalsContact C-N 3.34Å; S1261-S1264 PolarHBondContact O-OG 3.36Å |
| 1262 | N | 28.5 | Very low | 29 | Very low | 68 Ų | 68 | 106 Ų | 106 | 36% | 0.364 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -84.2 | -26.1 | 176 | -76.1 | -34.4 | 0 | 0 | 0 | 111.9 | E1258 R1259 M1260 S1264 R1265 | E1258-N1262 WeakPolarHBondContact O-CB 3.35Å; E1258-N1262 PolarHBondContact O-N 2.95Å; E1258-N1262 PolarHBondContact O-ND2 3.29Å; R1259-N1262 PolarHBondContact O-N 2.92Å; M1260-N1262 VanDerWaalsContact C-N 3.28Å; M1260-N1262 PolarHBondContact O-N 2.92Å; N1262-S1264 VanDerWaalsContact C-N 3.3Å; N1262-S1264 PolarHBondContact O-N 2.95Å; N1262-R1265 VanDerWaalsContact O-CB 3.27Å; N1262-R1265 WeakPolarHBondContact O-CB 3.28Å; N1262-R1265 PolarHBondContact O-N 3.46Å |
| 1263 | L | 27.2 | Very low | 28.6 | Very low | 110 Ų | 110 | 108.8 Ų | 108.8 | 58% | 0.576 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -59.8 | -40.4 | 165.9 | -84.7 | 162 | 0 | 0 | 0 | 111.4 | R1259 M1260 R1265 M1266 | R1259-L1263 PolarHBondContact O-N 3.05Å; M1260-L1263 PolarHBondContact O-N 3.31Å; L1263-R1265 PolarHBondContact O-N 2.98Å; L1263-M1266 PolarHBondContact O-N 2.89Å |
| 1264 | S | 27.8 | Very low | 28.2 | Very low | 73 Ų | 73 | 114.9 Ų | 114.9 | 51% | 0.51 | 59% | 0.587 | S | S | . | * | G | 310 helix | trans | -70.1 | -12.7 | 173.1 | 71.9 | 0 | 0 | 0 | 0 | 114 | M1260 S1261 N1262 M1266 | M1260-S1264 PolarHBondContact O-N 3.32Å; S1261-S1264 PolarHBondContact O-OG 3.36Å; N1262-S1264 VanDerWaalsContact C-N 3.3Å; N1262-S1264 PolarHBondContact O-N 2.95Å; S1264-M1266 VanDerWaalsContact C-N 3.26Å |
| 1265 | R | 29.1 | Very low | 28.1 | Very low | 188 Ų | 188 | 116 Ų | 116 | 71% | 0.709 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -76.7 | -15.3 | 175.1 | -158.6 | -179.5 | -76.1 | -169.7 | -1.2 | 112 | N1262 L1263 | N1262-R1265 VanDerWaalsContact O-CB 3.27Å; N1262-R1265 WeakPolarHBondContact O-CB 3.28Å; N1262-R1265 PolarHBondContact O-N 3.46Å; L1263-R1265 PolarHBondContact O-N 2.98Å |
| 1266 | M | 22.1 | Very low | 28.4 | Very low | 174 Ų | 174 | 116.7 Ų | 116.7 | 86% | 0.857 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -91.8 | 15.9 | 179.8 | -150.3 | 94.1 | 87.7 | 0 | 0 | 114.3 | L1263 S1264 | L1263-M1266 PolarHBondContact O-N 2.89Å; S1264-M1266 VanDerWaalsContact C-N 3.26Å |
| 1267 | S | 23.6 | Very low | 28.7 | Very low | 75 Ų | 75 | 118.1 Ų | 118.1 | 52% | 0.524 | 61% | 0.612 | S | S | . | * | trans | -143.5 | 75.1 | 176.8 | 52.9 | 0 | 0 | 0 | 0 | 113.4 | L1269 | S1267-L1269 PolarHBondContact O-N 3.42Š| ||
| 1268 | K | 25.2 | Very low | 29.4 | Very low | 211 Ų | 211 | 119.6 Ų | 119.6 | 92% | 0.917 | 62% | 0.62 | S | S | * | * | trans | -74.1 | 64.5 | 158.6 | -76.3 | -172.8 | 174.5 | -178 | 0 | 110.9 | ||||
| 1269 | L | 23.2 | Very low | 30.6 | Very low | 145 Ų | 145 | 119.4 Ų | 119.4 | 76% | 0.759 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -133.6 | 151.1 | 168.8 | -82.9 | 164.8 | 0 | 0 | 0 | 109 | S1267 | S1267-L1269 PolarHBondContact O-N 3.42Š|
| 1270 | P | 27.7 | Very low | 32.1 | Very low | 114 Ų | 114 | 116.9 Ų | 116.9 | 74% | 0.74 | 62% | 0.616 | S | S | * | * | trans | -64.1 | 146.5 | -166.8 | -22.4 | 34.6 | 0 | 0 | 0 | 113.8 | E1272 | P1270-E1272 PolarHBondContact O-N 3.27Å; P1270-E1272 VanDerWaalsContact O-N 3.14Å | ||
| 1271 | I | 27.2 | Very low | 33.7 | Very low | 175 Ų | 175 | 116.9 Ų | 116.9 | 90% | 0.897 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -72.8 | -4.8 | -168.7 | -72 | 167.4 | 0 | 0 | 0 | 113.8 | ||
| 1272 | E | 26.5 | Very low | 35.3 | Very low | 174 Ų | 174 | 120.2 Ų | 120.2 | 81% | 0.813 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -85.9 | 121.6 | -179.6 | -65.5 | 177.6 | 175.8 | 0 | 0 | 111.4 | P1270 | P1270-E1272 PolarHBondContact O-N 3.27Å; P1270-E1272 VanDerWaalsContact O-N 3.14Å |
| 1273 | S | 26.2 | Very low | 37.2 | Very low | 112 Ų | 112 | 118 Ų | 118 | 78% | 0.783 | 62% | 0.618 | S | S | * | * | S | Bend | trans | 98.3 | 16 | 162.1 | 80.2 | 0 | 0 | 0 | 0 | 122.3 | ||
| 1274 | M | 20.8 | Very low | 39.2 | Very low | 166 Ų | 166 | 115.2 Ų | 115.2 | 82% | 0.818 | 60% | 0.603 | S | S | * | * | trans | -95.6 | 124.1 | 160.7 | -82.9 | -70.2 | 110.1 | 0 | 0 | 111.7 | ||||
| 1275 | P | 32.4 | Very low | 41.3 | Very low | 85 Ų | 85 | 116.8 Ų | 116.8 | 55% | 0.552 | 60% | 0.6 | S | S | * | * | trans | -79 | 148.2 | -171.9 | 31.4 | -35.1 | 0 | 0 | 0 | 113.4 | V1277 | P1275-V1277 HydrophobicContact CB-CG2 4.46Å; P1275-V1277 PolarHBondContact O-N 2.82Å | ||
| 1276 | D | 40 | Very low | 43.3 | Very low | 99 Ų | 99 | 109.4 Ų | 109.4 | 53% | 0.529 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.4 | 17.3 | -175.3 | -166.7 | 42.9 | 0 | 0 | 0 | 116.3 | K1280 | D1276-K1280 WeakPolarHBondContact OD2-CE 3.45Å; D1276-K1280 IonicContact OD2-NZ 3.9Å; D1276-K1280 PolarHBondContact OD2-NZ 3.49Å; D1276-K1280 VanDerWaalsContact OD2-NZ 3.11Å |
| 1277 | V | 40.3 | Very low | 46.1 | Very low | 96 Ų | 96 | 101.1 Ų | 101.1 | 58% | 0.582 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -81 | -43.6 | -177.2 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | P1275 N1279 K1280 E1281 | P1275-V1277 HydrophobicContact CB-CG2 4.46Å; P1275-V1277 PolarHBondContact O-N 2.82Å; V1277-N1279 PolarHBondContact O-N 3.25Å; V1277-K1280 PolarHBondContact O-N 2.96Å; V1277-K1280 VanDerWaalsContact O-N 3.16Å; V1277-E1281 PolarHBondContact O-N 2.72Å; V1277-E1281 VanDerWaalsContact O-N 3.13Å |
| 1278 | D | 45.5 | Very low | 48.8 | Very low | 101 Ų | 101 | 98.2 Ų | 98.2 | 54% | 0.54 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -39.3 | -172.8 | -68.2 | -16.1 | 0 | 0 | 0 | 112.4 | K1280 E1281 Q1282 | D1278-K1280 VanDerWaalsContact C-N 3.3Å; D1278-K1280 PolarHBondContact O-N 2.88Å; D1278-E1281 PolarHBondContact O-N 3.3Å; D1278-Q1282 PolarHBondContact O-N 3.31Å |
| 1279 | N | 58.3 | Low | 51.5 | Low | 115 Ų | 115 | 92.3 Ų | 92.3 | 62% | 0.615 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.3 | -41.3 | 175.1 | -84.9 | -24.5 | 0 | 0 | 0 | 112.1 | V1277 Q1282 C1283 | V1277-N1279 PolarHBondContact O-N 3.25Å; N1279-Q1282 PolarHBondContact O-N 3.26Å; N1279-C1283 WeakPolarHBondContact O-CB 3.5Å; N1279-C1283 PolarHBondContact O-N 3.36Å |
| 1280 | K | 60.2 | Low | 54.3 | Low | 93 Ų | 93 | 85.9 Ų | 85.9 | 40% | 0.404 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -71.6 | -38 | -179.8 | -67.1 | 179 | -175 | 167.4 | 0 | 111.1 | D1276 V1277 D1278 C1283 M1284 | D1276-K1280 WeakPolarHBondContact OD2-CE 3.45Å; D1276-K1280 IonicContact OD2-NZ 3.9Å; D1276-K1280 PolarHBondContact OD2-NZ 3.49Å; D1276-K1280 VanDerWaalsContact OD2-NZ 3.11Å; V1277-K1280 PolarHBondContact O-N 2.96Å; V1277-K1280 VanDerWaalsContact O-N 3.16Å; D1278-K1280 VanDerWaalsContact C-N 3.3Å; D1278-K1280 PolarHBondContact O-N 2.88Å; K1280-C1283 PolarHBondContact O-N 2.82Å; K1280-M1284 WeakPolarHBondContact O-CG 3.49Å; K1280-M1284 PolarHBondContact O-N 3.14Å |
| 1281 | E | 62.3 | Low | 57 | Low | 55 Ų | 55 | 80.4 Ų | 80.4 | 26% | 0.257 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 174.3 | -160.2 | -170.8 | 159 | 0 | 0 | 112 | H1146 V1277 D1278 M1284 K1285 | H1146-E1281 IonicContact CE1-OE1 3.2Å; H1146-E1281 PolarHBondContact CE1-OE1 3.42Å; H1146-E1281 IonicContact NE2-OE1 2.69Å; V1277-E1281 PolarHBondContact O-N 2.72Å; V1277-E1281 VanDerWaalsContact O-N 3.13Å; D1278-E1281 PolarHBondContact O-N 3.3Å; E1281-M1284 HydrophobicContact CB-CE 4.46Å; E1281-M1284 HydrophobicContact CG-CE 4.48Å; E1281-M1284 PolarHBondContact O-N 3.39Å; E1281-K1285 WeakPolarHBondContact O-CG 3.34Å; E1281-K1285 PolarHBondContact O-N 2.81Å; E1281-K1285 WeakPolarHBondContact OE1-CE 3.29Å; E1281-K1285 IonicContact OE1-NZ 3.71Å; E1281-K1285 PolarHBondContact OE1-NZ 3.45Å; E1281-K1285 IonicContact OE2-NZ 3.73Å |
| 1282 | Q | 66.4 | Low | 59.8 | Low | 95 Ų | 95 | 72.1 Ų | 72.1 | 44% | 0.444 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 177 | -171 | 164.9 | -7.9 | 0 | 0 | 112.2 | D1278 N1279 K1285 E1286 | D1278-Q1282 PolarHBondContact O-N 3.31Å; N1279-Q1282 PolarHBondContact O-N 3.26Å; Q1282-K1285 PolarHBondContact O-N 3.09Å; Q1282-E1286 PolarHBondContact O-N 3.3Å |
| 1283 | C | 69.1 | Low | 62.4 | Low | 23 Ų | 23 | 64.2 Ų | 64.2 | 16% | 0.155 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 175 | -167.2 | 0 | 0 | 0 | 0 | 112.5 | V1104 N1279 K1280 E1286 S1287 | V1104-C1283 PolarHBondContact O-SG 2.91Å; N1279-C1283 WeakPolarHBondContact O-CB 3.5Å; N1279-C1283 PolarHBondContact O-N 3.36Å; K1280-C1283 PolarHBondContact O-N 2.82Å; C1283-E1286 PolarHBondContact O-N 3.31Å; C1283-S1287 VanDerWaalsContact O-CB 3.3Å; C1283-S1287 WeakPolarHBondContact O-CB 3.2Å; C1283-S1287 PolarHBondContact O-N 3.5Å; C1283-S1287 PolarHBondContact O-OG 3.18Å |
| 1284 | M | 69.1 | Low | 65.2 | Low | 50 Ų | 50 | 59 Ų | 59 | 25% | 0.246 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 175.2 | -74 | -174.7 | -63.6 | 0 | 0 | 112 | K1280 E1281 S1287 S1288 | K1280-M1284 WeakPolarHBondContact O-CG 3.49Å; K1280-M1284 PolarHBondContact O-N 3.14Å; E1281-M1284 HydrophobicContact CB-CE 4.46Å; E1281-M1284 HydrophobicContact CG-CE 4.48Å; E1281-M1284 PolarHBondContact O-N 3.39Å; M1284-S1287 PolarHBondContact O-N 3.36Å; M1284-S1288 PolarHBondContact O-N 3.42Å |
| 1285 | K | 71.3 | Confident | 68.3 | Low | 106 Ų | 106 | 51 Ų | 51 | 46% | 0.461 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.9 | -49.8 | 176.5 | -74.2 | 168.9 | -175 | 161.1 | 0 | 111.6 | E1281 Q1282 S1288 R1289 | E1281-K1285 WeakPolarHBondContact O-CG 3.34Å; E1281-K1285 PolarHBondContact O-N 2.81Å; E1281-K1285 WeakPolarHBondContact OE1-CE 3.29Å; E1281-K1285 IonicContact OE1-NZ 3.71Å; E1281-K1285 PolarHBondContact OE1-NZ 3.45Å; E1281-K1285 IonicContact OE2-NZ 3.73Å; Q1282-K1285 PolarHBondContact O-N 3.09Å; K1285-S1288 PolarHBondContact O-N 3Å; K1285-S1288 PolarHBondContact O-OG 3.07Å; K1285-R1289 PolarHBondContact O-N 3.03Å |
| 1286 | E | 72.8 | Confident | 70.9 | Confident | 33 Ų | 33 | 47 Ų | 47 | 15% | 0.154 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.7 | -36.7 | 180 | -167.4 | 56.2 | -150.7 | 0 | 0 | 112 | Q1282 C1283 S1288 R1289 L1290 | Q1282-E1286 PolarHBondContact O-N 3.3Å; C1283-E1286 PolarHBondContact O-N 3.31Å; E1286-S1288 PolarHBondContact O-N 2.83Å; E1286-R1289 WeakPolarHBondContact O-CB 3.31Å; E1286-R1289 PolarHBondContact O-N 3.46Å; E1286-R1289 WeakPolarHBondContact OE1-CD 3.37Å; E1286-R1289 VanDerWaalsContact OE2-CD 3.28Å; E1286-R1289 WeakPolarHBondContact OE2-CD 3.43Å; E1286-R1289 IonicContact OE2-NH1 3.68Å; E1286-L1290 HydrophobicContact CG-CD1 4.1Å; E1286-L1290 HydrophobicContact CG-CG 4.42Å; E1286-L1290 WeakPolarHBondContact O-CG 3.42Å; E1286-L1290 PolarHBondContact O-N 3.21Å |
| 1287 | S | 79.2 | Confident | 72.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.8 | -46.1 | 172.1 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | R1107 C1283 M1284 R1289 L1290 V1291 | R1107-S1287 WeakPolarHBondContact CB-OG 3.09Å; C1283-S1287 VanDerWaalsContact O-CB 3.3Å; C1283-S1287 WeakPolarHBondContact O-CB 3.2Å; C1283-S1287 PolarHBondContact O-N 3.5Å; C1283-S1287 PolarHBondContact O-OG 3.18Å; M1284-S1287 PolarHBondContact O-N 3.36Å; S1287-R1289 PolarHBondContact O-N 2.58Å; S1287-L1290 PolarHBondContact O-N 2.95Å; S1287-V1291 WeakPolarHBondContact O-CG2 3.38Å; S1287-V1291 PolarHBondContact O-N 3.09Å |
| 1288 | S | 80.2 | Confident | 74.8 | Confident | 14 Ų | 14 | 41.1 Ų | 41.1 | 10% | 0.098 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.2 | -38.5 | 176.6 | 74.4 | 0 | 0 | 0 | 0 | 113 | M1284 K1285 E1286 V1292 | M1284-S1288 PolarHBondContact O-N 3.42Å; K1285-S1288 PolarHBondContact O-N 3Å; K1285-S1288 PolarHBondContact O-OG 3.07Å; E1286-S1288 PolarHBondContact O-N 2.83Å; S1288-V1292 WeakPolarHBondContact O-CG2 3.43Å; S1288-V1292 PolarHBondContact O-N 3.37Å; S1288-V1292 VanDerWaalsContact O-N 3.13Å |
| 1289 | R | 82.5 | Confident | 76.5 | Confident | 87 Ų | 87 | 36.3 Ų | 36.3 | 33% | 0.328 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.6 | -49 | 175.9 | -177.4 | -167.3 | -174.3 | 172.8 | -1.1 | 111.3 | K1285 E1286 S1287 V1292 A1293 P1349 V1353 | K1285-R1289 PolarHBondContact O-N 3.03Å; E1286-R1289 WeakPolarHBondContact O-CB 3.31Å; E1286-R1289 PolarHBondContact O-N 3.46Å; E1286-R1289 WeakPolarHBondContact OE1-CD 3.37Å; E1286-R1289 VanDerWaalsContact OE2-CD 3.28Å; E1286-R1289 WeakPolarHBondContact OE2-CD 3.43Å; E1286-R1289 IonicContact OE2-NH1 3.68Å; S1287-R1289 PolarHBondContact O-N 2.58Å; R1289-V1292 PolarHBondContact O-N 3.43Å; R1289-A1293 PolarHBondContact O-N 2.87Å; R1289-P1349 HydrophobicContact CB-CB 4.38Å; R1289-P1349 HydrophobicContact CG-CB 4.08Å; R1289-V1353 HydrophobicContact CG-CB 4.42Å; R1289-V1353 HydrophobicContact CG-CG2 3.59Å |
| 1290 | L | 81.9 | Confident | 77.5 | Confident | 10 Ų | 10 | 32.1 Ų | 32.1 | 5% | 0.052 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.7 | -39.5 | -177.7 | -68.9 | 170.2 | 0 | 0 | 0 | 112.2 | M1111 L1250 E1286 S1287 V1292 A1293 L1294 | M1111-L1290 HydrophobicContact CB-CB 3.88Å; M1111-L1290 HydrophobicContact CB-CD1 4.24Å; L1250-L1290 HydrophobicContact CD2-CD2 4.14Å; E1286-L1290 HydrophobicContact CG-CD1 4.1Å; E1286-L1290 HydrophobicContact CG-CG 4.42Å; E1286-L1290 WeakPolarHBondContact O-CG 3.42Å; E1286-L1290 PolarHBondContact O-N 3.21Å; S1287-L1290 PolarHBondContact O-N 2.95Å; L1290-V1292 PolarHBondContact O-N 3.27Å; L1290-A1293 PolarHBondContact O-N 3.21Å; L1290-L1294 WeakPolarHBondContact O-CB 3.49Å; L1290-L1294 PolarHBondContact O-N 3.28Å |
| 1291 | V | 84.8 | Confident | 78.2 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.7 | -42.3 | 174 | 168.1 | 0 | 0 | 0 | 0 | 111.5 | M1111 F1136 L1139 S1287 L1294 F1295 | M1111-V1291 HydrophobicContact CE-CG2 3.8Å; M1111-V1291 HydrophobicContact CG-CG2 4.08Å; M1111-V1291 HydrophobicContact SD-CG2 3.62Å; F1136-V1291 HydrophobicContact CD2-CG1 3.94Å; F1136-V1291 HydrophobicContact CE2-CG1 3.64Å; F1136-V1291 HydrophobicContact CZ-CG1 4.02Å; L1139-V1291 HydrophobicContact CD1-CB 3.98Å; L1139-V1291 HydrophobicContact CD1-CG1 4.21Å; L1139-V1291 HydrophobicContact CD1-CG2 3.73Å; S1287-V1291 WeakPolarHBondContact O-CG2 3.38Å; S1287-V1291 PolarHBondContact O-N 3.09Å; V1291-L1294 PolarHBondContact O-N 2.74Å; V1291-F1295 VanDerWaalsContact O-CB 3.32Å; V1291-F1295 WeakPolarHBondContact O-CB 3.37Å; V1291-F1295 PolarHBondContact O-N 2.82Å |
| 1292 | V | 85.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.5 | -37.4 | 176.5 | 173.4 | 0 | 0 | 0 | 0 | 111.8 | F1136 S1288 R1289 L1290 F1295 M1296 L1325 L1328 I1350 V1353 | F1136-V1292 HydrophobicContact CE1-CG2 4.15Å; F1136-V1292 HydrophobicContact CZ-CG2 4.1Å; S1288-V1292 WeakPolarHBondContact O-CG2 3.43Å; S1288-V1292 PolarHBondContact O-N 3.37Å; S1288-V1292 VanDerWaalsContact O-N 3.13Å; R1289-V1292 PolarHBondContact O-N 3.43Å; L1290-V1292 PolarHBondContact O-N 3.27Å; V1292-F1295 PolarHBondContact O-N 3.39Å; V1292-M1296 HydrophobicContact CG1-CG 4.41Å; V1292-M1296 WeakPolarHBondContact O-CG 3.45Å; V1292-M1296 PolarHBondContact O-N 2.8Å; V1292-L1325 HydrophobicContact CG1-CD1 4.07Å; V1292-L1325 HydrophobicContact CG2-CD1 3.97Å; V1292-L1328 HydrophobicContact CG2-CD1 4.28Å; V1292-I1350 HydrophobicContact CB-CG2 4.48Å; V1292-I1350 HydrophobicContact CG1-CG2 4.27Å; V1292-I1350 HydrophobicContact CG2-CG2 4.12Å; V1292-V1353 HydrophobicContact CG1-CG1 4.3Å |
| 1293 | A | 82.5 | Confident | 78.1 | Confident | 8 Ų | 8 | 30.2 Ų | 30.2 | 7% | 0.066 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.8 | -47.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1289 L1290 M1296 K1297 V1353 | R1289-A1293 PolarHBondContact O-N 2.87Å; L1290-A1293 PolarHBondContact O-N 3.21Å; A1293-M1296 PolarHBondContact O-N 2.72Å; A1293-K1297 PolarHBondContact O-N 3.38Å; A1293-V1353 VanDerWaalsContact CA-CG1 3.43Å; A1293-V1353 HydrophobicContact CB-CG1 3.53Å |
| 1294 | L | 83.9 | Confident | 77.7 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.5 | -38.4 | 179.3 | -166 | 67.4 | 0 | 0 | 0 | 111.6 | M1111 F1114 L1115 L1127 F1131 F1132 L1290 V1291 K1297 F1298 | M1111-L1294 HydrophobicContact SD-CD2 4.06Å; F1114-L1294 HydrophobicContact CB-CD2 4.02Å; L1115-L1294 HydrophobicContact CB-CD1 4.07Å; L1115-L1294 HydrophobicContact CD1-CD1 3.85Å; L1127-L1294 HydrophobicContact CD1-CD1 3.86Å; L1127-L1294 HydrophobicContact CD1-CD2 4.48Å; L1127-L1294 HydrophobicContact CD1-CG 3.95Å; L1127-L1294 HydrophobicContact CD2-CD2 3.87Å; L1127-L1294 HydrophobicContact CD2-CG 4.25Å; F1131-L1294 HydrophobicContact CE1-CD2 3.85Å; F1131-L1294 HydrophobicContact CZ-CD2 4.01Å; F1132-L1294 HydrophobicContact CE1-CB 4.38Å; F1132-L1294 HydrophobicContact CE1-CD2 4.46Å; F1132-L1294 HydrophobicContact CE1-CG 4.35Å; F1132-L1294 HydrophobicContact CZ-CG 4.18Å; L1290-L1294 WeakPolarHBondContact O-CB 3.49Å; L1290-L1294 PolarHBondContact O-N 3.28Å; V1291-L1294 PolarHBondContact O-N 2.74Å; L1294-K1297 PolarHBondContact O-N 3.38Å; L1294-F1298 WeakPolarHBondContact O-CB 3.2Å; L1294-F1298 PolarHBondContact O-N 2.88Å |
| 1295 | F | 87.2 | Confident | 76.9 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.5 | -45.8 | 175.6 | -177.2 | -113.8 | 0 | 0 | 0 | 112.5 | W1129 F1132 F1136 V1291 V1292 K1297 F1298 L1299 V1321 L1322 L1325 | W1129-F1295 HydrophobicContact CH2-CE2 4.3Å; W1129-F1295 AromaticContact CZ3-CE2 3.76Å; W1129-F1295 HydrophobicContact CZ3-CE2 3.76Å; W1129-F1295 HydrophobicContact CZ3-CZ 4.18Å; F1132-F1295 HydrophobicContact CB-CD2 4.44Å; F1132-F1295 HydrophobicContact CD1-CB 4.05Å; F1132-F1295 AromaticContact CD1-CD2 3.85Å; F1132-F1295 HydrophobicContact CD1-CD2 3.85Å; F1132-F1295 HydrophobicContact CD1-CG 4.39Å; F1132-F1295 HydrophobicContact CD2-CD2 4.06Å; F1132-F1295 HydrophobicContact CE1-CB 3.7Å; F1132-F1295 HydrophobicContact CE1-CD2 4.07Å; F1132-F1295 HydrophobicContact CE1-CG 4.4Å; F1132-F1295 HydrophobicContact CE2-CD2 4.27Å; F1132-F1295 AromaticContact CG-CD2 3.85Å; F1132-F1295 HydrophobicContact CG-CD2 3.85Å; F1132-F1295 HydrophobicContact CZ-CB 4.24Å; F1132-F1295 HydrophobicContact CZ-CD2 4.28Å; F1136-F1295 HydrophobicContact CE2-CB 4.05Å; F1136-F1295 HydrophobicContact CE2-CD1 4.44Å; F1136-F1295 HydrophobicContact CE2-CD2 4.24Å; F1136-F1295 AromaticContact CE2-CG 3.98Å; F1136-F1295 HydrophobicContact CE2-CG 3.98Å; F1136-F1295 HydrophobicContact CZ-CB 4.18Å; F1136-F1295 HydrophobicContact CZ-CD1 4.18Å; F1136-F1295 HydrophobicContact CZ-CG 4.12Å; V1291-F1295 VanDerWaalsContact O-CB 3.32Å; V1291-F1295 WeakPolarHBondContact O-CB 3.37Å; V1291-F1295 PolarHBondContact O-N 2.82Å; V1292-F1295 PolarHBondContact O-N 3.39Å; F1295-K1297 VanDerWaalsContact C-N 3.31Å; F1295-K1297 PolarHBondContact O-N 3.27Å; F1295-F1298 HydrophobicContact CD2-CD1 4.47Å; F1295-F1298 HydrophobicContact CE2-CD1 4.48Å; F1295-F1298 WeakPolarHBondContact O-CB 3.48Å; F1295-F1298 PolarHBondContact O-N 3.48Å; F1295-F1298 VanDerWaalsContact O-N 3.17Å; F1295-L1299 HydrophobicContact CD1-CD1 4.04Å; F1295-L1299 HydrophobicContact CE1-CD1 3.48Å; F1295-L1299 VanDerWaalsContact CE1-CD1 3.48Å; F1295-L1299 HydrophobicContact CE1-CG 4.14Å; F1295-L1299 HydrophobicContact CE2-CD1 4.4Å; F1295-L1299 HydrophobicContact CE2-CD2 4.25Å; F1295-L1299 HydrophobicContact CE2-CG 4.22Å; F1295-L1299 HydrophobicContact CZ-CD1 3.69Å; F1295-L1299 HydrophobicContact CZ-CD2 4.04Å; F1295-L1299 HydrophobicContact CZ-CG 3.97Å; F1295-L1299 WeakPolarHBondContact O-CG 3.47Å; F1295-L1299 PolarHBondContact O-N 3.26Å; F1295-V1321 HydrophobicContact CD2-CG1 4.24Å; F1295-V1321 HydrophobicContact CE1-CG1 4.28Å; F1295-V1321 HydrophobicContact CE2-CG1 3.65Å; F1295-V1321 HydrophobicContact CZ-CG1 3.67Å; F1295-L1322 HydrophobicContact CE1-CD2 4.42Å; F1295-L1322 HydrophobicContact CZ-CD2 4.4Å; F1295-L1325 HydrophobicContact CD1-CD2 4.27Å; F1295-L1325 HydrophobicContact CE1-CD2 3.96Å |
| 1296 | M | 86 | Confident | 76 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.9 | -36.8 | 176.2 | -67 | -65 | -76.4 | 0 | 0 | 111.8 | V1292 A1293 L1299 S1300 F1354 N1357 L1358 V1361 | V1292-M1296 HydrophobicContact CG1-CG 4.41Å; V1292-M1296 WeakPolarHBondContact O-CG 3.45Å; V1292-M1296 PolarHBondContact O-N 2.8Å; A1293-M1296 PolarHBondContact O-N 2.72Å; M1296-L1299 PolarHBondContact O-N 3.24Å; M1296-L1299 HydrophobicContact SD-CD1 4.44Å; M1296-S1300 PolarHBondContact O-N 3.48Å; M1296-S1300 VanDerWaalsContact O-N 3.17Å; M1296-F1354 HydrophobicContact CE-CD2 3.65Å; M1296-F1354 HydrophobicContact CE-CE2 3.74Å; M1296-F1354 HydrophobicContact CE-CG 4.18Å; M1296-F1354 HydrophobicContact CE-CZ 4.33Å; M1296-F1354 HydrophobicContact CG-CD2 4.33Å; M1296-F1354 HydrophobicContact SD-CD2 3.57Å; M1296-F1354 VanDerWaalsContact SD-CD2 3.57Å; M1296-F1354 HydrophobicContact SD-CE2 3.74Å; M1296-N1357 HydrophobicContact CB-CB 3.54Å; M1296-N1357 HydrophobicContact CG-CB 4.3Å; M1296-L1358 HydrophobicContact CE-CB 4.38Å; M1296-V1361 HydrophobicContact CE-CG2 3.88Å; M1296-V1361 VanDerWaalsContact O-CG2 3.31Å; M1296-V1361 WeakPolarHBondContact O-CG2 3.39Å; M1296-V1361 HydrophobicContact SD-CG2 4.43Å |
| 1297 | K | 80.7 | Confident | 75.1 | Confident | 65 Ų | 65 | 34 Ų | 34 | 28% | 0.283 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.5 | -44.6 | 171.5 | -171.6 | -174.8 | 175.7 | -162.8 | 0 | 111.4 | L1115 S1118 A1293 L1294 F1295 L1299 S1300 | L1115-K1297 HydrophobicContact CD1-CD 3.66Å; L1115-K1297 PolarHBondContact O-NZ 2.72Å; S1118-K1297 PolarHBondContact OG-NZ 3.45Å; A1293-K1297 PolarHBondContact O-N 3.38Å; L1294-K1297 PolarHBondContact O-N 3.38Å; F1295-K1297 VanDerWaalsContact C-N 3.31Å; F1295-K1297 PolarHBondContact O-N 3.27Å; K1297-L1299 PolarHBondContact O-N 2.86Å; K1297-S1300 PolarHBondContact O-N 3.09Å; K1297-S1300 PolarHBondContact O-OG 2.82Å |
| 1298 | F | 82.5 | Confident | 73.8 | Confident | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.6 | -42.6 | 176.3 | 170.8 | -99.3 | 0 | 0 | 0 | 112.8 | L1127 W1129 F1132 L1294 F1295 S1300 N1301 | L1127-F1298 HydrophobicContact CB-CD2 3.97Å; L1127-F1298 HydrophobicContact CB-CE2 4.47Å; W1129-F1298 HydrophobicContact CD2-CE1 4.32Å; W1129-F1298 AromaticContact CE2-CE1 3.94Å; W1129-F1298 HydrophobicContact CE3-CE1 4.49Å; W1129-F1298 AromaticContact CH2-CE1 3.93Å; W1129-F1298 HydrophobicContact CH2-CE1 3.93Å; W1129-F1298 AromaticContact CZ2-CE1 3.72Å; W1129-F1298 HydrophobicContact CZ2-CE1 3.72Å; W1129-F1298 HydrophobicContact CZ2-CZ 4.32Å; W1129-F1298 HydrophobicContact CZ3-CE1 4.33Å; F1132-F1298 HydrophobicContact CD2-CD1 4.22Å; F1132-F1298 HydrophobicContact CD2-CG 4.39Å; F1132-F1298 HydrophobicContact CE2-CB 3.71Å; F1132-F1298 AromaticContact CE2-CD1 3.81Å; F1132-F1298 HydrophobicContact CE2-CD1 3.81Å; F1132-F1298 AromaticContact CE2-CD2 4Å; F1132-F1298 HydrophobicContact CE2-CD2 4Å; F1132-F1298 HydrophobicContact CE2-CE1 4.43Å; F1132-F1298 AromaticContact CE2-CG 3.57Å; F1132-F1298 HydrophobicContact CE2-CG 3.57Å; F1132-F1298 HydrophobicContact CZ-CB 3.89Å; F1132-F1298 HydrophobicContact CZ-CG 4.27Å; L1294-F1298 WeakPolarHBondContact O-CB 3.2Å; L1294-F1298 PolarHBondContact O-N 2.88Å; F1295-F1298 HydrophobicContact CD2-CD1 4.47Å; F1295-F1298 HydrophobicContact CE2-CD1 4.48Å; F1295-F1298 WeakPolarHBondContact O-CB 3.48Å; F1295-F1298 PolarHBondContact O-N 3.48Å; F1295-F1298 VanDerWaalsContact O-N 3.17Å; F1298-S1300 VanDerWaalsContact C-N 3.29Å; F1298-S1300 PolarHBondContact O-N 3.29Å; F1298-N1301 PolarHBondContact O-N 2.97Å |
| 1299 | L | 80.6 | Confident | 72.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.4 | -26.3 | 176.7 | -68.5 | 179.8 | 0 | 0 | 0 | 114 | W1129 F1295 M1296 K1297 N1301 V1361 N1365 F1368 I1372 | W1129-L1299 HydrophobicContact CH2-CD2 4.01Å; F1295-L1299 HydrophobicContact CD1-CD1 4.04Å; F1295-L1299 HydrophobicContact CE1-CD1 3.48Å; F1295-L1299 VanDerWaalsContact CE1-CD1 3.48Å; F1295-L1299 HydrophobicContact CE1-CG 4.14Å; F1295-L1299 HydrophobicContact CE2-CD1 4.4Å; F1295-L1299 HydrophobicContact CE2-CD2 4.25Å; F1295-L1299 HydrophobicContact CE2-CG 4.22Å; F1295-L1299 HydrophobicContact CZ-CD1 3.69Å; F1295-L1299 HydrophobicContact CZ-CD2 4.04Å; F1295-L1299 HydrophobicContact CZ-CG 3.97Å; F1295-L1299 WeakPolarHBondContact O-CG 3.47Å; F1295-L1299 PolarHBondContact O-N 3.26Å; M1296-L1299 PolarHBondContact O-N 3.24Å; M1296-L1299 HydrophobicContact SD-CD1 4.44Å; K1297-L1299 PolarHBondContact O-N 2.86Å; L1299-N1301 VanDerWaalsContact C-N 3.35Å; L1299-V1361 HydrophobicContact CB-CG1 4.11Å; L1299-V1361 HydrophobicContact CB-CG2 4.03Å; L1299-N1365 WeakPolarHBondContact O-CB 3.43Å; L1299-F1368 HydrophobicContact CD2-CB 4.21Å; L1299-F1368 HydrophobicContact CD2-CD1 4.11Å; L1299-F1368 HydrophobicContact CD2-CD2 4.3Å; L1299-F1368 HydrophobicContact CD2-CG 3.93Å; L1299-I1372 HydrophobicContact CD1-CD1 3.42Å; L1299-I1372 VanDerWaalsContact CD1-CD1 3.42Å |
| 1300 | S | 78.6 | Confident | 70.8 | Confident | 27 Ų | 27 | 39.3 Ų | 39.3 | 19% | 0.189 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -75.5 | -19.2 | 179 | 70.7 | 0 | 0 | 0 | 0 | 114.3 | M1296 K1297 F1298 | M1296-S1300 PolarHBondContact O-N 3.48Å; M1296-S1300 VanDerWaalsContact O-N 3.17Å; K1297-S1300 PolarHBondContact O-N 3.09Å; K1297-S1300 PolarHBondContact O-OG 2.82Å; F1298-S1300 VanDerWaalsContact C-N 3.29Å; F1298-S1300 PolarHBondContact O-N 3.29Å |
| 1301 | N | 74.8 | Confident | 69.6 | Low | 53 Ų | 53 | 45.2 Ų | 45.2 | 28% | 0.283 | 24% | 0.243 | S | C | . | . | trans | -89.7 | 118.8 | -179.2 | -178.7 | -9.9 | 0 | 0 | 0 | 110.7 | F1298 L1299 C1303 T1304 A1305 | F1298-N1301 PolarHBondContact O-N 2.97Å; L1299-N1301 VanDerWaalsContact C-N 3.35Å; N1301-C1303 PolarHBondContact O-N 3.15Å; N1301-C1303 PolarHBondContact OD1-N 3.13Å; N1301-C1303 VanDerWaalsContact OD1-N 3.08Å; N1301-T1304 WeakPolarHBondContact CB-OG1 3.13Å; N1301-T1304 PolarHBondContact O-OG1 2.84Å; N1301-A1305 VanDerWaalsContact O-CB 3.29Å; N1301-A1305 WeakPolarHBondContact O-CB 3.37Å; N1301-A1305 PolarHBondContact O-N 3.37Å | ||
| 1302 | P | 65.1 | Low | 68.5 | Low | 67 Ų | 67 | 54.5 Ų | 54.5 | 44% | 0.435 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | -177.6 | 25.6 | -34 | 0 | 0 | 0 | 112.8 | A1305 F1306 | P1302-A1305 PolarHBondContact O-N 3.25Å; P1302-F1306 WeakPolarHBondContact O-CB 3.35Å; P1302-F1306 PolarHBondContact O-N 2.69Å |
| 1303 | C | 62.4 | Low | 67.3 | Low | 84 Ų | 84 | 56.9 Ų | 56.9 | 57% | 0.568 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -67.9 | -47.5 | -171.9 | -57.7 | 0 | 0 | 0 | 0 | 112 | N1301 A1305 I1307 | N1301-C1303 PolarHBondContact O-N 3.15Å; N1301-C1303 PolarHBondContact OD1-N 3.13Å; N1301-C1303 VanDerWaalsContact OD1-N 3.08Å; C1303-A1305 VanDerWaalsContact C-N 3.29Å; C1303-A1305 PolarHBondContact O-N 2.86Å; C1303-I1307 WeakPolarHBondContact O-CD1 3.44Å; C1303-I1307 WeakPolarHBondContact O-CG1 3.45Å |
| 1304 | T | 60 | Low | 66.6 | Low | 18 Ų | 18 | 57 Ų | 57 | 11% | 0.11 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69 | -28.2 | 179.5 | 49.4 | 0 | 0 | 0 | 0 | 112.9 | N1301 N1308 | N1301-T1304 WeakPolarHBondContact CB-OG1 3.13Å; N1301-T1304 PolarHBondContact O-OG1 2.84Å; T1304-N1308 PolarHBondContact O-ND2 3.08Å |
| 1305 | A | 53.2 | Low | 66 | Low | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -82.1 | -36.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1301 P1302 C1303 N1365 F1368 | N1301-A1305 VanDerWaalsContact O-CB 3.29Å; N1301-A1305 WeakPolarHBondContact O-CB 3.37Å; N1301-A1305 PolarHBondContact O-N 3.37Å; P1302-A1305 PolarHBondContact O-N 3.25Å; C1303-A1305 VanDerWaalsContact C-N 3.29Å; C1303-A1305 PolarHBondContact O-N 2.86Å; A1305-N1365 WeakPolarHBondContact CB-ND2 3.42Å; A1305-F1368 HydrophobicContact CB-CD2 4.08Å; A1305-F1368 HydrophobicContact CB-CE2 3.91Å |
| 1306 | F | 53 | Low | 65.5 | Low | 148 Ų | 148 | 66.8 Ų | 66.8 | 65% | 0.649 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -74.6 | -47 | -177.6 | -141.1 | -77.7 | 0 | 0 | 0 | 112.6 | P1302 N1308 A1309 | P1302-F1306 WeakPolarHBondContact O-CB 3.35Å; P1302-F1306 PolarHBondContact O-N 2.69Å; F1306-N1308 PolarHBondContact O-N 3.18Å; F1306-A1309 WeakPolarHBondContact O-CB 3.31Å; F1306-A1309 PolarHBondContact O-N 2.75Å |
| 1307 | I | 53.5 | Low | 65 | Low | 126 Ų | 126 | 69.3 Ų | 69.3 | 65% | 0.646 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -25.3 | -178.5 | -65.6 | 170.1 | 0 | 0 | 0 | 112.2 | C1303 | C1303-I1307 WeakPolarHBondContact O-CD1 3.44Å; C1303-I1307 WeakPolarHBondContact O-CG1 3.45Å |
| 1308 | N | 51.4 | Low | 64.9 | Low | 42 Ų | 42 | 66.7 Ų | 66.7 | 23% | 0.225 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 12.2 | -176.9 | -66.6 | -63.6 | 0 | 0 | 0 | 114.2 | W1129 T1304 F1306 S1314 Q1318 | W1129-N1308 PolarHBondContact NE1-O 3.03Å; T1304-N1308 PolarHBondContact O-ND2 3.08Å; F1306-N1308 PolarHBondContact O-N 3.18Å; N1308-S1314 WeakPolarHBondContact O-CB 3.3Å; N1308-S1314 PolarHBondContact O-OG 3.12Å; N1308-Q1318 PolarHBondContact O-NE2 3.05Å |
| 1309 | A | 51.8 | Low | 64.8 | Low | 23 Ų | 23 | 70.3 Ų | 70.3 | 19% | 0.19 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -37.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115 | F1306 E1311 S1314 | F1306-A1309 WeakPolarHBondContact O-CB 3.31Å; F1306-A1309 PolarHBondContact O-N 2.75Å; A1309-E1311 VanDerWaalsContact C-N 3.34Å; A1309-E1311 PolarHBondContact O-N 2.79Å; A1309-S1314 PolarHBondContact O-OG 3.13Å |
| 1310 | D | 47.3 | Very low | 64.9 | Low | 147 Ų | 147 | 71.2 Ų | 71.2 | 79% | 0.786 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -82.2 | 6 | -161.7 | -84.9 | -30.8 | 0 | 0 | 0 | 116.9 | ||
| 1311 | E | 57 | Low | 65.1 | Low | 134 Ų | 134 | 69.9 Ų | 69.9 | 63% | 0.626 | 38% | 0.376 | S | S | * | . | trans | -97.3 | 135.2 | 175.9 | -70.7 | -160.7 | 156.9 | 0 | 0 | 113.6 | A1309 A1313 S1314 A1315 | A1309-E1311 VanDerWaalsContact C-N 3.34Å; A1309-E1311 PolarHBondContact O-N 2.79Å; E1311-A1313 HydrophobicContact CB-CB 4.4Å; E1311-A1313 PolarHBondContact O-N 3.04Å; E1311-S1314 PolarHBondContact O-N 3.41Å; E1311-S1314 PolarHBondContact O-OG 3.41Å; E1311-A1315 PolarHBondContact O-N 3.44Å | ||
| 1312 | K | 61.7 | Low | 65.5 | Low | 194 Ų | 194 | 68.7 Ų | 68.7 | 84% | 0.843 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -54.2 | -26 | 167.1 | -77.3 | -179.5 | 177.3 | 172.3 | 0 | 113.3 | ||
| 1313 | A | 60.2 | Low | 66.4 | Low | 50 Ų | 50 | 70.4 Ų | 70.4 | 41% | 0.413 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -70.6 | -49.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | E1311 A1315 K1316 K1317 | E1311-A1313 HydrophobicContact CB-CB 4.4Å; E1311-A1313 PolarHBondContact O-N 3.04Å; A1313-A1315 PolarHBondContact O-N 3.08Å; A1313-K1316 PolarHBondContact O-N 3.01Å; A1313-K1317 WeakPolarHBondContact O-CG 3.25Å; A1313-K1317 PolarHBondContact O-N 3.05Å |
| 1314 | S | 67 | Low | 67.4 | Low | 10 Ų | 10 | 66.9 Ų | 66.9 | 7% | 0.07 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.2 | -39.5 | -179.4 | 72.5 | 0 | 0 | 0 | 0 | 112.1 | N1308 A1309 E1311 K1316 K1317 Q1318 | N1308-S1314 WeakPolarHBondContact O-CB 3.3Å; N1308-S1314 PolarHBondContact O-OG 3.12Å; A1309-S1314 PolarHBondContact O-OG 3.13Å; E1311-S1314 PolarHBondContact O-N 3.41Å; E1311-S1314 PolarHBondContact O-OG 3.41Å; S1314-K1316 VanDerWaalsContact C-N 3.3Å; S1314-K1316 PolarHBondContact O-N 3.45Å; S1314-K1317 WeakPolarHBondContact O-CA 3.07Å; S1314-K1317 WeakPolarHBondContact O-CB 3.26Å; S1314-K1317 PolarHBondContact O-N 3.13Å; S1314-Q1318 VanDerWaalsContact O-CG 3.29Å; S1314-Q1318 WeakPolarHBondContact O-CG 3.49Å; S1314-Q1318 PolarHBondContact O-N 3.17Å; S1314-Q1318 PolarHBondContact OG-NE2 3.46Å |
| 1315 | A | 71.1 | Confident | 68.6 | Low | 42 Ų | 42 | 66.2 Ų | 66.2 | 35% | 0.347 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.3 | -36.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1311 A1313 S1319 | E1311-A1315 PolarHBondContact O-N 3.44Å; A1313-A1315 PolarHBondContact O-N 3.08Å; A1315-S1319 WeakPolarHBondContact O-CB 3.35Å; A1315-S1319 PolarHBondContact O-N 3.47Å; A1315-S1319 VanDerWaalsContact O-N 3.09Å; A1315-S1319 PolarHBondContact O-OG 3.5Å |
| 1316 | K | 76.8 | Confident | 70 | Confident | 167 Ų | 167 | 66.7 Ų | 66.7 | 73% | 0.726 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67.3 | -41.8 | 172.1 | -73.3 | -176 | 176.5 | -177.3 | 0 | 112.2 | A1313 S1314 S1319 S1320 | A1313-K1316 PolarHBondContact O-N 3.01Å; S1314-K1316 VanDerWaalsContact C-N 3.3Å; S1314-K1316 PolarHBondContact O-N 3.45Å; K1316-S1319 PolarHBondContact O-N 3.29Å; K1316-S1320 PolarHBondContact O-N 3.24Å |
| 1317 | K | 77.1 | Confident | 71.3 | Confident | 53 Ų | 53 | 62.6 Ų | 62.6 | 23% | 0.23 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.1 | -47.8 | 177.3 | -55 | -174.1 | -174.3 | 174.8 | 0 | 111 | W1129 D1130 A1313 S1314 S1319 S1320 V1321 | W1129-K1317 HydrophobicContact CB-CB 4.32Å; W1129-K1317 HydrophobicContact CB-CD 4.32Å; D1130-K1317 WeakPolarHBondContact OD1-CE 3.43Å; D1130-K1317 IonicContact OD1-NZ 3.17Å; D1130-K1317 PolarHBondContact OD1-NZ 3.37Å; D1130-K1317 IonicContact OD2-NZ 3.38Å; D1130-K1317 PolarHBondContact OD2-NZ 3.41Å; A1313-K1317 WeakPolarHBondContact O-CG 3.25Å; A1313-K1317 PolarHBondContact O-N 3.05Å; S1314-K1317 WeakPolarHBondContact O-CA 3.07Å; S1314-K1317 WeakPolarHBondContact O-CB 3.26Å; S1314-K1317 PolarHBondContact O-N 3.13Å; K1317-S1319 VanDerWaalsContact C-N 3.33Å; K1317-S1319 PolarHBondContact O-N 3.27Å; K1317-S1320 WeakPolarHBondContact O-CB 3.28Å; K1317-S1320 PolarHBondContact O-N 3.46Å; K1317-S1320 VanDerWaalsContact O-N 3.09Å; K1317-V1321 WeakPolarHBondContact O-CG2 3.45Å; K1317-V1321 PolarHBondContact O-N 2.87Å |
| 1318 | Q | 78.6 | Confident | 72.5 | Confident | 10 Ų | 10 | 57.6 Ų | 57.6 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -52 | -49.8 | 173.9 | -70.4 | 168.8 | 19.4 | 0 | 0 | 111.6 | W1129 N1308 S1314 S1320 V1321 L1322 F1368 | W1129-Q1318 HydrophobicContact CD2-CG 3.83Å; W1129-Q1318 HydrophobicContact CE3-CG 3.93Å; W1129-Q1318 HydrophobicContact CH2-CB 4.45Å; W1129-Q1318 HydrophobicContact CH2-CG 3.69Å; W1129-Q1318 HydrophobicContact CZ2-CG 3.56Å; W1129-Q1318 HydrophobicContact CZ3-CB 4.35Å; W1129-Q1318 HydrophobicContact CZ3-CG 3.85Å; N1308-Q1318 PolarHBondContact O-NE2 3.05Å; S1314-Q1318 VanDerWaalsContact O-CG 3.29Å; S1314-Q1318 WeakPolarHBondContact O-CG 3.49Å; S1314-Q1318 PolarHBondContact O-N 3.17Å; S1314-Q1318 PolarHBondContact OG-NE2 3.46Å; Q1318-S1320 VanDerWaalsContact C-N 3.31Å; Q1318-S1320 PolarHBondContact O-N 3.19Å; Q1318-V1321 PolarHBondContact O-N 3.44Å; Q1318-L1322 WeakPolarHBondContact O-CG 3.39Å; Q1318-L1322 PolarHBondContact O-N 2.97Å; Q1318-F1368 HydrophobicContact CG-CE1 4.43Å |
| 1319 | S | 79.9 | Confident | 73.8 | Confident | 81 Ų | 81 | 55.6 Ų | 55.6 | 57% | 0.566 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.6 | -36.9 | 179 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | A1315 K1316 K1317 R1323 | A1315-S1319 WeakPolarHBondContact O-CB 3.35Å; A1315-S1319 PolarHBondContact O-N 3.47Å; A1315-S1319 VanDerWaalsContact O-N 3.09Å; A1315-S1319 PolarHBondContact O-OG 3.5Å; K1316-S1319 PolarHBondContact O-N 3.29Å; K1317-S1319 VanDerWaalsContact C-N 3.33Å; K1317-S1319 PolarHBondContact O-N 3.27Å; S1319-R1323 WeakPolarHBondContact O-CB 3.35Å; S1319-R1323 PolarHBondContact O-N 2.88Å; S1319-R1323 VanDerWaalsContact O-N 3.14Å |
| 1320 | S | 81.9 | Confident | 74.9 | Confident | 19 Ų | 19 | 55.6 Ų | 55.6 | 13% | 0.133 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.7 | -49.4 | 173.9 | -166.9 | 0 | 0 | 0 | 0 | 111.7 | K1316 K1317 Q1318 L1322 R1323 H1324 | K1316-S1320 PolarHBondContact O-N 3.24Å; K1317-S1320 WeakPolarHBondContact O-CB 3.28Å; K1317-S1320 PolarHBondContact O-N 3.46Å; K1317-S1320 VanDerWaalsContact O-N 3.09Å; Q1318-S1320 VanDerWaalsContact C-N 3.31Å; Q1318-S1320 PolarHBondContact O-N 3.19Å; S1320-L1322 PolarHBondContact O-N 2.94Å; S1320-R1323 WeakPolarHBondContact O-CB 3.27Å; S1320-R1323 PolarHBondContact O-N 3.39Å; S1320-H1324 PolarHBondContact O-N 3.04Å; S1320-H1324 PolarHBondContact O-ND1 2.95Å; S1320-H1324 PolarHBondContact OG-CE1 2.95Å; S1320-H1324 VanDerWaalsContact OG-CE1 3.3Å |
| 1321 | V | 84.3 | Confident | 76.6 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.8 | -46.2 | -179.6 | 176.7 | 0 | 0 | 0 | 0 | 111.5 | F1132 Q1133 F1136 F1295 K1317 Q1318 R1323 H1324 L1325 | F1132-V1321 HydrophobicContact CB-CG2 4.38Å; Q1133-V1321 HydrophobicContact CB-CG2 4.19Å; F1136-V1321 HydrophobicContact CD2-CG1 3.81Å; F1136-V1321 HydrophobicContact CE2-CG1 3.88Å; F1136-V1321 HydrophobicContact CG-CG1 4.28Å; F1136-V1321 HydrophobicContact CZ-CG1 4.41Å; F1295-V1321 HydrophobicContact CD2-CG1 4.24Å; F1295-V1321 HydrophobicContact CE1-CG1 4.28Å; F1295-V1321 HydrophobicContact CE2-CG1 3.65Å; F1295-V1321 HydrophobicContact CZ-CG1 3.67Å; K1317-V1321 WeakPolarHBondContact O-CG2 3.45Å; K1317-V1321 PolarHBondContact O-N 2.87Å; Q1318-V1321 PolarHBondContact O-N 3.44Å; V1321-R1323 VanDerWaalsContact C-N 3.3Å; V1321-R1323 PolarHBondContact O-N 3.17Å; V1321-H1324 PolarHBondContact O-N 3.28Å; V1321-H1324 VanDerWaalsContact O-N 3.15Å; V1321-L1325 PolarHBondContact O-N 2.87Å |
| 1322 | L | 82.9 | Confident | 77.5 | Confident | 27 Ų | 27 | 45.1 Ų | 45.1 | 14% | 0.141 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -36.1 | 177.2 | -69.7 | 174.4 | 0 | 0 | 0 | 112.4 | F1295 Q1318 S1320 L1325 N1326 I1372 | F1295-L1322 HydrophobicContact CE1-CD2 4.42Å; F1295-L1322 HydrophobicContact CZ-CD2 4.4Å; Q1318-L1322 WeakPolarHBondContact O-CG 3.39Å; Q1318-L1322 PolarHBondContact O-N 2.97Å; S1320-L1322 PolarHBondContact O-N 2.94Å; L1322-L1325 PolarHBondContact O-N 3.47Å; L1322-N1326 PolarHBondContact O-N 2.95Å; L1322-N1326 VanDerWaalsContact O-N 3.12Å; L1322-N1326 PolarHBondContact O-ND2 3.32Å; L1322-I1372 HydrophobicContact CD2-CG1 4.38Å |
| 1323 | R | 83.1 | Confident | 78.1 | Confident | 103 Ų | 103 | 41 Ų | 41 | 39% | 0.389 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.3 | -46.9 | 172.7 | -172.3 | 179.2 | 65 | 159.8 | 1.7 | 111.2 | S1319 S1320 V1321 L1325 N1326 L1327 | S1319-R1323 WeakPolarHBondContact O-CB 3.35Å; S1319-R1323 PolarHBondContact O-N 2.88Å; S1319-R1323 VanDerWaalsContact O-N 3.14Å; S1320-R1323 WeakPolarHBondContact O-CB 3.27Å; S1320-R1323 PolarHBondContact O-N 3.39Å; V1321-R1323 VanDerWaalsContact C-N 3.3Å; V1321-R1323 PolarHBondContact O-N 3.17Å; R1323-L1325 VanDerWaalsContact C-N 3.35Å; R1323-L1325 PolarHBondContact O-N 2.92Å; R1323-N1326 PolarHBondContact O-N 3.42Å; R1323-L1327 WeakPolarHBondContact O-CG 3.36Å; R1323-L1327 PolarHBondContact O-N 3.43Å |
| 1324 | H | 83.6 | Confident | 78.7 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 5% | 0.046 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.6 | -35.8 | 177.7 | -63.3 | 116.8 | 0 | 0 | 0 | 112.9 | F1136 S1140 S1320 V1321 N1326 L1327 L1328 | F1136-H1324 HydrophobicContact CB-CB 4.04Å; F1136-H1324 HydrophobicContact CD1-CB 3.97Å; F1136-H1324 HydrophobicContact CG-CB 4.41Å; S1140-H1324 PolarHBondContact OG-CD2 3.44Å; S1320-H1324 PolarHBondContact O-N 3.04Å; S1320-H1324 PolarHBondContact O-ND1 2.95Å; S1320-H1324 PolarHBondContact OG-CE1 2.95Å; S1320-H1324 VanDerWaalsContact OG-CE1 3.3Å; V1321-H1324 PolarHBondContact O-N 3.28Å; V1321-H1324 VanDerWaalsContact O-N 3.15Å; H1324-N1326 PolarHBondContact O-N 2.8Å; H1324-L1327 PolarHBondContact O-N 3.12Å; H1324-L1328 PolarHBondContact O-N 3.47Å; H1324-L1328 VanDerWaalsContact O-N 3.1Å |
| 1325 | L | 84.8 | Confident | 78.9 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 173.3 | 179.4 | 63 | 0 | 0 | 0 | 112.1 | F1136 V1292 F1295 V1321 L1322 R1323 L1327 L1328 L1329 F1354 | F1136-L1325 HydrophobicContact CE1-CB 4.26Å; F1136-L1325 HydrophobicContact CE1-CD1 4.36Å; V1292-L1325 HydrophobicContact CG1-CD1 4.07Å; V1292-L1325 HydrophobicContact CG2-CD1 3.97Å; F1295-L1325 HydrophobicContact CD1-CD2 4.27Å; F1295-L1325 HydrophobicContact CE1-CD2 3.96Å; V1321-L1325 PolarHBondContact O-N 2.87Å; L1322-L1325 PolarHBondContact O-N 3.47Å; R1323-L1325 VanDerWaalsContact C-N 3.35Å; R1323-L1325 PolarHBondContact O-N 2.92Å; L1325-L1327 VanDerWaalsContact C-N 3.3Å; L1325-L1327 PolarHBondContact O-N 3.45Å; L1325-L1328 PolarHBondContact O-N 3.04Å; L1325-L1329 HydrophobicContact CD1-CD1 4.43Å; L1325-L1329 HydrophobicContact CG-CD1 4.27Å; L1325-L1329 PolarHBondContact O-N 2.85Å; L1325-F1354 HydrophobicContact CD2-CD2 4.47Å; L1325-F1354 HydrophobicContact CD2-CE2 4.21Å |
| 1326 | N | 82.6 | Confident | 79 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 6% | 0.059 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 176.4 | -72.5 | -32.2 | 0 | 0 | 0 | 112.3 | L1322 R1323 H1324 L1329 G1330 Y1331 I1375 | L1322-N1326 PolarHBondContact O-N 2.95Å; L1322-N1326 VanDerWaalsContact O-N 3.12Å; L1322-N1326 PolarHBondContact O-ND2 3.32Å; R1323-N1326 PolarHBondContact O-N 3.42Å; H1324-N1326 PolarHBondContact O-N 2.8Å; N1326-L1329 PolarHBondContact O-N 2.82Å; N1326-G1330 PolarHBondContact O-N 2.82Å; N1326-G1330 VanDerWaalsContact O-N 3.09Å; N1326-Y1331 PolarHBondContact O-N 3.46Å; N1326-I1375 WeakPolarHBondContact OD1-CD1 3.41Å |
| 1327 | L | 81.6 | Confident | 79.1 | Confident | 62 Ų | 62 | 52.1 Ų | 52.1 | 33% | 0.325 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 175.2 | -60.4 | 179.3 | 0 | 0 | 0 | 112.3 | L1159 R1323 H1324 L1325 G1330 | L1159-L1327 HydrophobicContact CD1-CD2 4.25Å; L1159-L1327 HydrophobicContact CD2-CD1 3.62Å; L1159-L1327 HydrophobicContact CD2-CD2 3.57Å; L1159-L1327 HydrophobicContact CD2-CG 4.09Å; L1159-L1327 HydrophobicContact CG-CD2 3.8Å; R1323-L1327 WeakPolarHBondContact O-CG 3.36Å; R1323-L1327 PolarHBondContact O-N 3.43Å; H1324-L1327 PolarHBondContact O-N 3.12Å; L1325-L1327 VanDerWaalsContact C-N 3.3Å; L1325-L1327 PolarHBondContact O-N 3.45Å; L1327-G1330 PolarHBondContact O-N 2.89Å; L1327-G1330 VanDerWaalsContact O-N 3.15Å |
| 1328 | L | 78.4 | Confident | 79.3 | Confident | 20 Ų | 20 | 50.6 Ų | 50.6 | 11% | 0.105 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.7 | -32.6 | 176.4 | -70.6 | 177 | 0 | 0 | 0 | 113.3 | F1136 V1292 H1324 L1325 G1330 I1350 | F1136-L1328 HydrophobicContact CD1-CD1 3.94Å; F1136-L1328 HydrophobicContact CE1-CD1 3.79Å; V1292-L1328 HydrophobicContact CG2-CD1 4.28Å; H1324-L1328 PolarHBondContact O-N 3.47Å; H1324-L1328 VanDerWaalsContact O-N 3.1Å; L1325-L1328 PolarHBondContact O-N 3.04Å; L1328-G1330 PolarHBondContact O-N 2.69Å; L1328-I1350 HydrophobicContact CB-CD1 4.14Å; L1328-I1350 HydrophobicContact CB-CG2 4.43Å; L1328-I1350 HydrophobicContact CD2-CD1 4.4Å |
| 1329 | L | 78.7 | Confident | 78.9 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -8 | 171 | -70 | 171.2 | 0 | 0 | 0 | 113.1 | L1325 N1326 Y1331 I1350 A1351 F1354 I1375 | L1325-L1329 HydrophobicContact CD1-CD1 4.43Å; L1325-L1329 HydrophobicContact CG-CD1 4.27Å; L1325-L1329 PolarHBondContact O-N 2.85Å; N1326-L1329 PolarHBondContact O-N 2.82Å; L1329-Y1331 VanDerWaalsContact C-N 3.25Å; L1329-Y1331 PolarHBondContact O-N 3.08Å; L1329-I1350 HydrophobicContact CD2-CG2 3.97Å; L1329-A1351 HydrophobicContact CD2-CB 4.37Å; L1329-F1354 HydrophobicContact CD1-CD2 4.26Å; L1329-F1354 HydrophobicContact CD1-CE2 4.36Å; L1329-F1354 HydrophobicContact CD1-CG 4.45Å; L1329-F1354 HydrophobicContact CD2-CB 4.41Å; L1329-I1375 HydrophobicContact CD1-CG2 4.19Å |
| 1330 | G | 75.2 | Confident | 78.6 | Confident | 23 Ų | 23 | 50.7 Ų | 50.7 | 24% | 0.237 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 24.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N1326 L1327 L1328 G1339 | N1326-G1330 PolarHBondContact O-N 2.82Å; N1326-G1330 VanDerWaalsContact O-N 3.09Å; L1327-G1330 PolarHBondContact O-N 2.89Å; L1327-G1330 VanDerWaalsContact O-N 3.15Å; L1328-G1330 PolarHBondContact O-N 2.69Å; G1330-G1339 PolarHBondContact O-N 2.72Å |
| 1331 | Y | 81.3 | Confident | 78.4 | Confident | 21 Ų | 21 | 52.1 Ų | 52.1 | 8% | 0.082 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 121 | -179.9 | -178.1 | -103.8 | 0 | 0 | 0 | 111.2 | N1326 L1329 I1333 S1337 F1338 I1375 | N1326-Y1331 PolarHBondContact O-N 3.46Å; L1329-Y1331 VanDerWaalsContact C-N 3.25Å; L1329-Y1331 PolarHBondContact O-N 3.08Å; Y1331-I1333 HydrophobicContact CD1-CG1 4.36Å; Y1331-I1333 HydrophobicContact CE1-CG1 4.32Å; Y1331-S1337 WeakPolarHBondContact CD2-O 3.29Å; Y1331-F1338 HydrophobicContact CD2-CD1 4.04Å; Y1331-F1338 AromaticContact CD2-CE1 3.74Å; Y1331-F1338 HydrophobicContact CD2-CE1 3.74Å; Y1331-F1338 HydrophobicContact CD2-CE2 4.23Å; Y1331-F1338 HydrophobicContact CD2-CG 4.41Å; Y1331-F1338 AromaticContact CD2-CZ 3.83Å; Y1331-F1338 HydrophobicContact CD2-CZ 3.83Å; Y1331-F1338 HydrophobicContact CE2-CZ 4.44Å; Y1331-F1338 HydrophobicContact CG-CE1 4.24Å; Y1331-I1375 HydrophobicContact CD1-CG1 4.11Å; Y1331-I1375 HydrophobicContact CE1-CG1 3.98Å |
| 1332 | S | 77.5 | Confident | 78.1 | Confident | 40 Ų | 40 | 52.3 Ų | 52.3 | 28% | 0.28 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 113.9 | 172.8 | 179.2 | 0 | 0 | 0 | 0 | 109.9 | Q1334 E1335 R1336 S1337 | S1332-Q1334 PolarHBondContact O-N 3.24Å; S1332-E1335 PolarHBondContact OG-N 3.04Å; S1332-R1336 VanDerWaalsContact O-CA 3.29Å; S1332-R1336 WeakPolarHBondContact O-CA 3.42Å; S1332-R1336 PolarHBondContact O-N 3.25Å; S1332-S1337 PolarHBondContact N-O 3.22Å |
| 1333 | I | 73.8 | Confident | 77.6 | Confident | 106 Ų | 106 | 53.1 Ų | 53.1 | 54% | 0.544 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -32.7 | 175.1 | -65.8 | 158.5 | 0 | 0 | 0 | 111.2 | Y1331 | Y1331-I1333 HydrophobicContact CD1-CG1 4.36Å; Y1331-I1333 HydrophobicContact CE1-CG1 4.32Å |
| 1334 | Q | 72 | Confident | 77.4 | Confident | 137 Ų | 137 | 55.6 Ų | 55.6 | 64% | 0.64 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -50.1 | -178.4 | -68.6 | -170.4 | -0.1 | 0 | 0 | 112.5 | D1158 S1332 R1336 | D1158-Q1334 PolarHBondContact OD1-NE2 2.7Å; D1158-Q1334 VanDerWaalsContact OD2-CD 3.27Å; D1158-Q1334 PolarHBondContact OD2-NE2 3.46Å; D1158-Q1334 PolarHBondContact OD2-OE1 3.29Å; S1332-Q1334 PolarHBondContact O-N 3.24Å; Q1334-R1336 VanDerWaalsContact C-N 3.29Å; Q1334-R1336 PolarHBondContact O-N 3.23Å |
| 1335 | E | 72.2 | Confident | 77.2 | Confident | 147 Ų | 147 | 55.1 Ų | 55.1 | 69% | 0.687 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -14.7 | 179.5 | -65.1 | -167.8 | 176.6 | 0 | 0 | 113.1 | S1332 S1337 | S1332-E1335 PolarHBondContact OG-N 3.04Å; E1335-S1337 WeakPolarHBondContact CB-OG 3.18Å; E1335-S1337 PolarHBondContact O-N 2.99Å; E1335-S1337 PolarHBondContact OE2-OG 2.97Å |
| 1336 | R | 73.4 | Confident | 77 | Confident | 184 Ų | 184 | 57.1 Ų | 57.1 | 69% | 0.694 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 31.6 | -169.7 | -58.2 | -178.2 | 175.9 | -175.1 | -1.4 | 112.8 | S1332 Q1334 | S1332-R1336 VanDerWaalsContact O-CA 3.29Å; S1332-R1336 WeakPolarHBondContact O-CA 3.42Å; S1332-R1336 PolarHBondContact O-N 3.25Å; Q1334-R1336 VanDerWaalsContact C-N 3.29Å; Q1334-R1336 PolarHBondContact O-N 3.23Å |
| 1337 | S | 77.6 | Confident | 76.7 | Confident | 36 Ų | 36 | 60.4 Ų | 60.4 | 25% | 0.252 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 159.5 | -173.3 | 72.1 | 0 | 0 | 0 | 0 | 111 | Y1331 S1332 E1335 | Y1331-S1337 WeakPolarHBondContact CD2-O 3.29Å; S1332-S1337 PolarHBondContact N-O 3.22Å; E1335-S1337 WeakPolarHBondContact CB-OG 3.18Å; E1335-S1337 PolarHBondContact O-N 2.99Å; E1335-S1337 PolarHBondContact OE2-OG 2.97Å |
| 1338 | F | 81.2 | Confident | 76.7 | Confident | 20 Ų | 20 | 58.2 Ų | 58.2 | 9% | 0.088 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 126 | 166.4 | -65.2 | -81.8 | 0 | 0 | 0 | 109.3 | Y1331 M1340 L1345 L1379 Y1382 | Y1331-F1338 HydrophobicContact CD2-CD1 4.04Å; Y1331-F1338 AromaticContact CD2-CE1 3.74Å; Y1331-F1338 HydrophobicContact CD2-CE1 3.74Å; Y1331-F1338 HydrophobicContact CD2-CE2 4.23Å; Y1331-F1338 HydrophobicContact CD2-CG 4.41Å; Y1331-F1338 AromaticContact CD2-CZ 3.83Å; Y1331-F1338 HydrophobicContact CD2-CZ 3.83Å; Y1331-F1338 HydrophobicContact CE2-CZ 4.44Å; Y1331-F1338 HydrophobicContact CG-CE1 4.24Å; F1338-M1340 PolarHBondContact O-N 2.95Å; F1338-M1340 VanDerWaalsContact O-N 3.15Å; F1338-L1345 HydrophobicContact CD1-CD1 4.49Å; F1338-L1345 HydrophobicContact CD1-CD2 3.99Å; F1338-L1345 HydrophobicContact CE1-CD2 4.26Å; F1338-L1345 HydrophobicContact CG-CD2 4.13Å; F1338-L1379 HydrophobicContact CE1-CD1 4.14Å; F1338-L1379 HydrophobicContact CZ-CB 3.87Å; F1338-L1379 HydrophobicContact CZ-CD1 3.95Å; F1338-Y1382 HydrophobicContact CB-CD1 4.15Å; F1338-Y1382 HydrophobicContact CB-CE1 3.89Å; F1338-Y1382 AromaticContact CD2-CD1 3.62Å; F1338-Y1382 HydrophobicContact CD2-CD1 3.62Å; F1338-Y1382 HydrophobicContact CD2-CD2 4.31Å; F1338-Y1382 HydrophobicContact CD2-CE1 4.23Å; F1338-Y1382 AromaticContact CD2-CG 3.66Å; F1338-Y1382 HydrophobicContact CD2-CG 3.66Å; F1338-Y1382 HydrophobicContact CE2-CD1 4.33Å; F1338-Y1382 HydrophobicContact CE2-CG 4.21Å; F1338-Y1382 HydrophobicContact CG-CD1 4.05Å; F1338-Y1382 HydrophobicContact CG-CE1 4.3Å |
| 1339 | G | 70.3 | Confident | 76.7 | Confident | 50 Ų | 50 | 59.4 Ų | 59.4 | 52% | 0.515 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -74.1 | 4.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | G1330 | G1330-G1339 PolarHBondContact O-N 2.72Š|
| 1340 | M | 73.8 | Confident | 76.8 | Confident | 44 Ų | 44 | 60.1 Ų | 60.1 | 22% | 0.217 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -132 | 144.7 | 179.5 | 72.9 | 179.7 | 87.5 | 0 | 0 | 111.4 | F1338 L1345 Y1382 | F1338-M1340 PolarHBondContact O-N 2.95Å; F1338-M1340 VanDerWaalsContact O-N 3.15Å; M1340-L1345 HydrophobicContact CE-CD1 4.14Å; M1340-L1345 HydrophobicContact CG-CB 4.36Å; M1340-L1345 HydrophobicContact CG-CD1 3.76Å; M1340-L1345 HydrophobicContact SD-CD1 3.59Å; M1340-L1345 VanDerWaalsContact SD-CD1 3.59Å; M1340-Y1382 WeakPolarHBondContact O-CE1 3.27Å; M1340-Y1382 PolarHBondContact O-OH 3.23Å |
| 1341 | P | 78 | Confident | 77.3 | Confident | 49 Ų | 49 | 59 Ų | 59 | 32% | 0.318 | 31% | 0.312 | S | S | . | . | trans | -64.3 | 155 | -177.1 | 27.6 | -36 | 0 | 0 | 0 | 112.8 | S1343 R1344 L1345 Y1382 | P1341-S1343 VanDerWaalsContact C-N 3.34Å; P1341-S1343 PolarHBondContact O-N 2.73Å; P1341-R1344 HydrophobicContact CG-CB 4.24Å; P1341-R1344 HydrophobicContact CG-CG 4.15Å; P1341-R1344 PolarHBondContact O-N 3.3Å; P1341-L1345 PolarHBondContact O-N 3.28Å; P1341-L1345 VanDerWaalsContact O-N 3.07Å; P1341-Y1382 WeakPolarHBondContact CA-OH 3.21Å | ||
| 1342 | S | 78 | Confident | 77.4 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.5 | -37.5 | -171.4 | 72.9 | 0 | 0 | 0 | 0 | 113.3 | R1344 L1345 R1346 Y1382 S1385 D1387 | S1342-R1344 PolarHBondContact O-N 3.48Å; S1342-L1345 PolarHBondContact O-N 3.15Å; S1342-R1346 WeakPolarHBondContact O-CB 3.44Å; S1342-R1346 PolarHBondContact O-N 3.23Å; S1342-R1346 PolarHBondContact OG-NH2 3.5Å; S1342-Y1382 PolarHBondContact N-OH 3.42Å; S1342-S1385 WeakPolarHBondContact CB-OG 3.49Å; S1342-S1385 PolarHBondContact OG-O 3.15Å; S1342-D1387 PolarHBondContact N-OD1 3.24Å; S1342-D1387 PolarHBondContact OG-OD1 3.33Å; S1342-D1387 PolarHBondContact OG-OD2 3.42Å |
| 1343 | S | 73.2 | Confident | 77.8 | Confident | 44 Ų | 44 | 59.1 Ų | 59.1 | 31% | 0.308 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -50.3 | -51.3 | 169.7 | 42.4 | 0 | 0 | 0 | 0 | 112.9 | P1341 L1345 R1346 A1347 D1387 | P1341-S1343 VanDerWaalsContact C-N 3.34Å; P1341-S1343 PolarHBondContact O-N 2.73Å; S1343-L1345 VanDerWaalsContact C-N 3.31Å; S1343-L1345 PolarHBondContact O-N 3.38Å; S1343-R1346 PolarHBondContact O-N 2.83Å; S1343-A1347 WeakPolarHBondContact O-CB 3.43Å; S1343-A1347 PolarHBondContact O-N 3.13Å; S1343-D1387 VanDerWaalsContact CB-CG 3.4Å; S1343-D1387 WeakPolarHBondContact CB-OD1 3.42Å; S1343-D1387 WeakPolarHBondContact CB-OD2 3.43Å; S1343-D1387 PolarHBondContact N-OD1 3.01Å; S1343-D1387 PolarHBondContact N-OD2 2.78Å; S1343-D1387 VanDerWaalsContact OG-CG 3.25Å; S1343-D1387 PolarHBondContact OG-OD1 3.07Å |
| 1344 | R | 77.8 | Confident | 78.5 | Confident | 155 Ų | 155 | 54.1 Ų | 54.1 | 59% | 0.585 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -73.7 | -25 | -178.4 | -67.4 | -158.1 | -69.5 | 150.4 | -3.1 | 112.3 | P1341 S1342 S1348 | P1341-R1344 HydrophobicContact CG-CB 4.24Å; P1341-R1344 HydrophobicContact CG-CG 4.15Å; P1341-R1344 PolarHBondContact O-N 3.3Å; S1342-R1344 PolarHBondContact O-N 3.48Å; R1344-S1348 WeakPolarHBondContact O-CB 3.46Å; R1344-S1348 PolarHBondContact O-N 3.49Å; R1344-S1348 VanDerWaalsContact O-N 3.13Å |
| 1345 | L | 80.6 | Confident | 79.2 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -75.1 | -40.7 | 171.6 | -154.9 | 73.6 | 0 | 0 | 0 | 111.7 | F1338 M1340 P1341 S1342 S1343 A1347 S1348 A1351 L1379 Y1382 L1383 | F1338-L1345 HydrophobicContact CD1-CD1 4.49Å; F1338-L1345 HydrophobicContact CD1-CD2 3.99Å; F1338-L1345 HydrophobicContact CE1-CD2 4.26Å; F1338-L1345 HydrophobicContact CG-CD2 4.13Å; M1340-L1345 HydrophobicContact CE-CD1 4.14Å; M1340-L1345 HydrophobicContact CG-CB 4.36Å; M1340-L1345 HydrophobicContact CG-CD1 3.76Å; M1340-L1345 HydrophobicContact SD-CD1 3.59Å; M1340-L1345 VanDerWaalsContact SD-CD1 3.59Å; P1341-L1345 PolarHBondContact O-N 3.28Å; P1341-L1345 VanDerWaalsContact O-N 3.07Å; S1342-L1345 PolarHBondContact O-N 3.15Å; S1343-L1345 VanDerWaalsContact C-N 3.31Å; S1343-L1345 PolarHBondContact O-N 3.38Å; L1345-A1347 VanDerWaalsContact C-N 3.3Å; L1345-A1347 PolarHBondContact O-N 3.04Å; L1345-S1348 VanDerWaalsContact O-CB 3.22Å; L1345-S1348 WeakPolarHBondContact O-CB 3.48Å; L1345-S1348 PolarHBondContact O-N 3.46Å; L1345-A1351 HydrophobicContact CD1-CB 4.3Å; L1345-A1351 HydrophobicContact CG-CB 4.08Å; L1345-A1351 WeakPolarHBondContact O-CB 3.32Å; L1345-L1379 HydrophobicContact CD2-CD1 3.46Å; L1345-L1379 VanDerWaalsContact CD2-CD1 3.46Å; L1345-L1379 HydrophobicContact CG-CD1 4.31Å; L1345-Y1382 HydrophobicContact CD2-CD1 3.65Å; L1345-Y1382 HydrophobicContact CD2-CE1 4.1Å; L1345-L1383 HydrophobicContact CB-CD2 4.39Å; L1345-L1383 HydrophobicContact CD2-CD2 4.18Å; L1345-L1383 HydrophobicContact CG-CD2 4.29Å |
| 1346 | R | 80.5 | Confident | 79.8 | Confident | 46 Ų | 46 | 43.8 Ų | 43.8 | 17% | 0.174 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.5 | -36.4 | 171.3 | -78.5 | -176.8 | -93.5 | 122.6 | 5.7 | 112.2 | S1342 S1343 S1348 N1352 L1383 S1385 D1387 L1402 L1403 | S1342-R1346 WeakPolarHBondContact O-CB 3.44Å; S1342-R1346 PolarHBondContact O-N 3.23Å; S1342-R1346 PolarHBondContact OG-NH2 3.5Å; S1343-R1346 PolarHBondContact O-N 2.83Å; R1346-S1348 VanDerWaalsContact C-N 3.31Å; R1346-N1352 PolarHBondContact O-ND2 2.87Å; R1346-L1383 VanDerWaalsContact CD-O 3.31Å; R1346-L1383 WeakPolarHBondContact CD-O 3.38Å; R1346-L1383 HydrophobicContact CG-CD2 3.84Å; R1346-L1383 PolarHBondContact NE-O 3.12Å; R1346-L1383 VanDerWaalsContact NE-O 3.07Å; R1346-S1385 PolarHBondContact NH2-O 2.43Å; R1346-D1387 IonicContact CZ-OD2 2.8Å; R1346-D1387 IonicContact NH2-OD2 2.74Å; R1346-D1387 PolarHBondContact NH2-OD2 3.22Å; R1346-L1402 VanDerWaalsContact CD-O 3.29Å; R1346-L1402 WeakPolarHBondContact CD-O 3.43Å; R1346-L1403 HydrophobicContact CG-CD2 3.95Å |
| 1347 | A | 76.2 | Confident | 80.5 | Confident | 80 Ų | 80 | 35.7 Ų | 35.7 | 66% | 0.661 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -4.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1343 L1345 P1349 | S1343-A1347 WeakPolarHBondContact O-CB 3.43Å; S1343-A1347 PolarHBondContact O-N 3.13Å; L1345-A1347 VanDerWaalsContact C-N 3.3Å; L1345-A1347 PolarHBondContact O-N 3.04Å; A1347-P1349 WeakPolarHBondContact O-CD 3.26Å |
| 1348 | S | 81 | Confident | 81.1 | Confident | 16 Ų | 16 | 34 Ų | 34 | 11% | 0.112 | 20% | 0.195 | C | C | . | . | trans | -78.2 | 121.5 | -176.9 | -179.9 | 0 | 0 | 0 | 0 | 111 | R1344 L1345 R1346 I1350 A1351 N1352 | R1344-S1348 WeakPolarHBondContact O-CB 3.46Å; R1344-S1348 PolarHBondContact O-N 3.49Å; R1344-S1348 VanDerWaalsContact O-N 3.13Å; L1345-S1348 VanDerWaalsContact O-CB 3.22Å; L1345-S1348 WeakPolarHBondContact O-CB 3.48Å; L1345-S1348 PolarHBondContact O-N 3.46Å; R1346-S1348 VanDerWaalsContact C-N 3.31Å; S1348-I1350 PolarHBondContact O-N 2.94Å; S1348-A1351 PolarHBondContact O-N 2.68Å; S1348-N1352 PolarHBondContact O-N 2.81Å; S1348-N1352 VanDerWaalsContact O-N 3.14Å; S1348-N1352 PolarHBondContact O-ND2 3.06Å | ||
| 1349 | P | 78 | Confident | 81.4 | Confident | 45 Ų | 45 | 34 Ų | 34 | 29% | 0.292 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63 | -28.9 | 178.2 | 25.6 | -33.5 | 0 | 0 | 0 | 112 | R1289 A1347 V1353 | R1289-P1349 HydrophobicContact CB-CB 4.38Å; R1289-P1349 HydrophobicContact CG-CB 4.08Å; A1347-P1349 WeakPolarHBondContact O-CD 3.26Å; P1349-V1353 WeakPolarHBondContact O-CB 3.5Å; P1349-V1353 WeakPolarHBondContact O-CG2 3.36Å; P1349-V1353 PolarHBondContact O-N 3.28Å; P1349-V1353 VanDerWaalsContact O-N 3.09Å |
| 1350 | I | 82.4 | Confident | 82.1 | Confident | 16 Ų | 16 | 36.6 Ų | 36.6 | 8% | 0.082 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.5 | -45.9 | 179.5 | -55.9 | -179.3 | 0 | 0 | 0 | 110.5 | V1292 L1328 L1329 S1348 V1353 F1354 | V1292-I1350 HydrophobicContact CB-CG2 4.48Å; V1292-I1350 HydrophobicContact CG1-CG2 4.27Å; V1292-I1350 HydrophobicContact CG2-CG2 4.12Å; L1328-I1350 HydrophobicContact CB-CD1 4.14Å; L1328-I1350 HydrophobicContact CB-CG2 4.43Å; L1328-I1350 HydrophobicContact CD2-CD1 4.4Å; L1329-I1350 HydrophobicContact CD2-CG2 3.97Å; S1348-I1350 PolarHBondContact O-N 2.94Å; I1350-V1353 PolarHBondContact O-N 2.94Å; I1350-F1354 WeakPolarHBondContact O-CB 3.49Å; I1350-F1354 PolarHBondContact O-N 3.45Å |
| 1351 | A | 84.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.8 | -41.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1329 L1345 S1348 F1354 L1355 | L1329-A1351 HydrophobicContact CD2-CB 4.37Å; L1345-A1351 HydrophobicContact CD1-CB 4.3Å; L1345-A1351 HydrophobicContact CG-CB 4.08Å; L1345-A1351 WeakPolarHBondContact O-CB 3.32Å; S1348-A1351 PolarHBondContact O-N 2.68Å; A1351-F1354 PolarHBondContact O-N 3.45Å; A1351-L1355 WeakPolarHBondContact O-CB 3.38Å; A1351-L1355 PolarHBondContact O-N 3.22Å |
| 1352 | N | 84.1 | Confident | 83.1 | Confident | 56 Ų | 56 | 32.2 Ų | 32.2 | 30% | 0.299 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -66.1 | -41.2 | 177.8 | -71 | -30.7 | 0 | 0 | 0 | 112.5 | R1346 S1348 L1355 F1356 | R1346-N1352 PolarHBondContact O-ND2 2.87Å; S1348-N1352 PolarHBondContact O-N 2.81Å; S1348-N1352 VanDerWaalsContact O-N 3.14Å; S1348-N1352 PolarHBondContact O-ND2 3.06Å; N1352-L1355 PolarHBondContact O-N 3.3Å; N1352-F1356 VanDerWaalsContact O-CB 3.32Å; N1352-F1356 WeakPolarHBondContact O-CB 3.42Å; N1352-F1356 PolarHBondContact O-N 3.02Å |
| 1353 | V | 84.6 | Confident | 83.4 | Confident | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.6 | -37.5 | 175 | 160.9 | 0 | 0 | 0 | 0 | 112.5 | R1289 V1292 A1293 P1349 I1350 N1357 | R1289-V1353 HydrophobicContact CG-CB 4.42Å; R1289-V1353 HydrophobicContact CG-CG2 3.59Å; V1292-V1353 HydrophobicContact CG1-CG1 4.3Å; A1293-V1353 VanDerWaalsContact CA-CG1 3.43Å; A1293-V1353 HydrophobicContact CB-CG1 3.53Å; P1349-V1353 WeakPolarHBondContact O-CB 3.5Å; P1349-V1353 WeakPolarHBondContact O-CG2 3.36Å; P1349-V1353 PolarHBondContact O-N 3.28Å; P1349-V1353 VanDerWaalsContact O-N 3.09Å; I1350-V1353 PolarHBondContact O-N 2.94Å; V1353-N1357 PolarHBondContact O-N 3.41Å; V1353-N1357 PolarHBondContact O-ND2 3.08Å |
| 1354 | F | 88.7 | Confident | 83.7 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.6 | -51 | 174 | 178.6 | -88 | 0 | 0 | 0 | 110.8 | M1296 L1325 L1329 I1350 A1351 F1356 N1357 L1358 I1372 L1379 | M1296-F1354 HydrophobicContact CE-CD2 3.65Å; M1296-F1354 HydrophobicContact CE-CE2 3.74Å; M1296-F1354 HydrophobicContact CE-CG 4.18Å; M1296-F1354 HydrophobicContact CE-CZ 4.33Å; M1296-F1354 HydrophobicContact CG-CD2 4.33Å; M1296-F1354 HydrophobicContact SD-CD2 3.57Å; M1296-F1354 VanDerWaalsContact SD-CD2 3.57Å; M1296-F1354 HydrophobicContact SD-CE2 3.74Å; L1325-F1354 HydrophobicContact CD2-CD2 4.47Å; L1325-F1354 HydrophobicContact CD2-CE2 4.21Å; L1329-F1354 HydrophobicContact CD1-CD2 4.26Å; L1329-F1354 HydrophobicContact CD1-CE2 4.36Å; L1329-F1354 HydrophobicContact CD1-CG 4.45Å; L1329-F1354 HydrophobicContact CD2-CB 4.41Å; I1350-F1354 WeakPolarHBondContact O-CB 3.49Å; I1350-F1354 PolarHBondContact O-N 3.45Å; A1351-F1354 PolarHBondContact O-N 3.45Å; F1354-F1356 PolarHBondContact O-N 3.46Å; F1354-N1357 PolarHBondContact O-N 3.42Å; F1354-L1358 HydrophobicContact CE1-CD1 4.38Å; F1354-L1358 HydrophobicContact CE1-CD2 4.47Å; F1354-L1358 HydrophobicContact CZ-CD1 4.44Å; F1354-L1358 WeakPolarHBondContact O-CB 3.28Å; F1354-L1358 PolarHBondContact O-N 2.98Å; F1354-I1372 HydrophobicContact CE2-CG2 4.15Å; F1354-I1372 HydrophobicContact CZ-CG2 3.66Å; F1354-L1379 HydrophobicContact CD1-CD2 3.48Å; F1354-L1379 VanDerWaalsContact CD1-CD2 3.48Å; F1354-L1379 HydrophobicContact CE1-CD2 3.74Å |
| 1355 | L | 88.3 | Confident | 83.6 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.6 | -44.8 | 178.2 | -180 | 64.9 | 0 | 0 | 0 | 112.4 | A1351 N1352 N1357 L1358 P1359 L1380 L1383 A1407 | A1351-L1355 WeakPolarHBondContact O-CB 3.38Å; A1351-L1355 PolarHBondContact O-N 3.22Å; N1352-L1355 PolarHBondContact O-N 3.3Å; L1355-N1357 VanDerWaalsContact C-N 3.31Å; L1355-N1357 PolarHBondContact O-N 3.33Å; L1355-L1358 WeakPolarHBondContact O-CB 3.47Å; L1355-L1358 PolarHBondContact O-N 3.17Å; L1355-P1359 WeakPolarHBondContact O-CD 3.37Å; L1355-L1380 HydrophobicContact CD1-CD2 3.68Å; L1355-L1383 HydrophobicContact CD2-CD1 3.98Å; L1355-A1407 HydrophobicContact CD2-CB 4Å |
| 1356 | F | 84.8 | Confident | 83.4 | Confident | 66 Ų | 66 | 31.8 Ų | 31.8 | 29% | 0.289 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.9 | -33.6 | -178.8 | -179.9 | -104 | 0 | 0 | 0 | 113.6 | N1352 F1354 | N1352-F1356 VanDerWaalsContact O-CB 3.32Å; N1352-F1356 WeakPolarHBondContact O-CB 3.42Å; N1352-F1356 PolarHBondContact O-N 3.02Å; F1354-F1356 PolarHBondContact O-N 3.46Å |
| 1357 | N | 86.4 | Confident | 83.3 | Confident | 15 Ų | 15 | 34.9 Ų | 34.9 | 8% | 0.08 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -96.1 | -8.8 | 179.2 | -66.3 | -75.1 | 0 | 0 | 0 | 113.5 | M1296 V1353 F1354 L1355 K1360 V1361 | M1296-N1357 HydrophobicContact CB-CB 3.54Å; M1296-N1357 HydrophobicContact CG-CB 4.3Å; V1353-N1357 PolarHBondContact O-N 3.41Å; V1353-N1357 PolarHBondContact O-ND2 3.08Å; F1354-N1357 PolarHBondContact O-N 3.42Å; L1355-N1357 VanDerWaalsContact C-N 3.31Å; L1355-N1357 PolarHBondContact O-N 3.33Å; N1357-K1360 PolarHBondContact O-N 2.75Å; N1357-V1361 PolarHBondContact O-N 3.48Å |
| 1358 | L | 90.2 | Very high | 83.3 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.2 | -44.6 | -179.5 | 177.4 | 64.9 | 0 | 0 | 0 | 113.6 | M1296 F1354 L1355 K1360 V1361 L1362 I1372 A1376 | M1296-L1358 HydrophobicContact CE-CB 4.38Å; F1354-L1358 HydrophobicContact CE1-CD1 4.38Å; F1354-L1358 HydrophobicContact CE1-CD2 4.47Å; F1354-L1358 HydrophobicContact CZ-CD1 4.44Å; F1354-L1358 WeakPolarHBondContact O-CB 3.28Å; F1354-L1358 PolarHBondContact O-N 2.98Å; L1355-L1358 WeakPolarHBondContact O-CB 3.47Å; L1355-L1358 PolarHBondContact O-N 3.17Å; L1358-K1360 VanDerWaalsContact C-N 3.29Å; L1358-K1360 PolarHBondContact O-N 2.94Å; L1358-V1361 PolarHBondContact O-N 3.09Å; L1358-V1361 VanDerWaalsContact O-N 3.16Å; L1358-L1362 HydrophobicContact CD1-CD1 4.09Å; L1358-L1362 HydrophobicContact CD1-CD2 4.35Å; L1358-L1362 HydrophobicContact CD1-CG 3.94Å; L1358-L1362 HydrophobicContact CD2-CD1 4.46Å; L1358-L1362 HydrophobicContact CG-CD1 3.86Å; L1358-L1362 HydrophobicContact CG-CG 4.18Å; L1358-L1362 WeakPolarHBondContact O-CG 3.38Å; L1358-L1362 PolarHBondContact O-N 2.6Å; L1358-I1372 HydrophobicContact CD1-CG2 4.2Å; L1358-A1376 HydrophobicContact CD1-CB 3.81Å; L1358-A1376 HydrophobicContact CD2-CB 3.79Å; L1358-A1376 HydrophobicContact CG-CB 4.46Å |
| 1359 | P | 89 | Confident | 83.3 | Confident | 18 Ų | 18 | 30.4 Ų | 30.4 | 12% | 0.117 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.3 | -42.2 | 176.6 | -27.2 | 34.6 | 0 | 0 | 0 | 113.2 | L1355 V1361 L1362 D1363 W1413 S1414 L1417 | L1355-P1359 WeakPolarHBondContact O-CD 3.37Å; P1359-V1361 VanDerWaalsContact C-N 3.31Å; P1359-V1361 PolarHBondContact O-N 2.85Å; P1359-L1362 PolarHBondContact O-N 3.19Å; P1359-D1363 WeakPolarHBondContact O-CB 3.38Å; P1359-D1363 PolarHBondContact O-N 3.03Å; P1359-W1413 HydrophobicContact CB-CB 4.18Å; P1359-W1413 HydrophobicContact CG-CB 4.01Å; P1359-S1414 WeakPolarHBondContact CG-OG 3.5Å; P1359-L1417 HydrophobicContact CB-CD1 3.91Å; P1359-L1417 VanDerWaalsContact O-CD1 3.24Å; P1359-L1417 WeakPolarHBondContact O-CD1 3.38Å |
| 1360 | K | 85 | Confident | 83.4 | Confident | 106 Ų | 106 | 36.5 Ų | 36.5 | 46% | 0.461 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.8 | -35.9 | -178.7 | -60.4 | 174.1 | -175.5 | 165.9 | 0 | 112 | N1357 L1358 G1364 | N1357-K1360 PolarHBondContact O-N 2.75Å; L1358-K1360 VanDerWaalsContact C-N 3.29Å; L1358-K1360 PolarHBondContact O-N 2.94Å; K1360-G1364 PolarHBondContact O-N 3.11Å |
| 1361 | V | 85.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -72.3 | -44.8 | 175.6 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | M1296 L1299 N1357 L1358 P1359 D1363 N1365 I1372 | M1296-V1361 HydrophobicContact CE-CG2 3.88Å; M1296-V1361 VanDerWaalsContact O-CG2 3.31Å; M1296-V1361 WeakPolarHBondContact O-CG2 3.39Å; M1296-V1361 HydrophobicContact SD-CG2 4.43Å; L1299-V1361 HydrophobicContact CB-CG1 4.11Å; L1299-V1361 HydrophobicContact CB-CG2 4.03Å; N1357-V1361 PolarHBondContact O-N 3.48Å; L1358-V1361 PolarHBondContact O-N 3.09Å; L1358-V1361 VanDerWaalsContact O-N 3.16Å; P1359-V1361 VanDerWaalsContact C-N 3.31Å; P1359-V1361 PolarHBondContact O-N 2.85Å; V1361-D1363 PolarHBondContact O-N 3.38Å; V1361-N1365 PolarHBondContact O-N 3.49Å; V1361-I1372 HydrophobicContact CG1-CD1 4.37Å |
| 1362 | L | 85.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.2 | -31.8 | 177.7 | -69.5 | 175.1 | 0 | 0 | 0 | 112.8 | L1358 P1359 A1369 L1373 L1417 I1418 Y1422 | L1358-L1362 HydrophobicContact CD1-CD1 4.09Å; L1358-L1362 HydrophobicContact CD1-CD2 4.35Å; L1358-L1362 HydrophobicContact CD1-CG 3.94Å; L1358-L1362 HydrophobicContact CD2-CD1 4.46Å; L1358-L1362 HydrophobicContact CG-CD1 3.86Å; L1358-L1362 HydrophobicContact CG-CG 4.18Å; L1358-L1362 WeakPolarHBondContact O-CG 3.38Å; L1358-L1362 PolarHBondContact O-N 2.6Å; P1359-L1362 PolarHBondContact O-N 3.19Å; L1362-A1369 HydrophobicContact CD2-CB 4.07Å; L1362-L1373 HydrophobicContact CD2-CD1 4.47Å; L1362-L1417 HydrophobicContact CB-CB 4.19Å; L1362-L1417 HydrophobicContact CB-CD1 4.16Å; L1362-L1417 HydrophobicContact CD1-CB 4.5Å; L1362-I1418 HydrophobicContact CD1-CD1 4.4Å; L1362-I1418 HydrophobicContact CD1-CG1 4.13Å; L1362-Y1422 HydrophobicContact CD2-CE2 4.39Å; L1362-Y1422 PolarHBondContact O-OH 3.49Å |
| 1363 | D | 85.5 | Confident | 83.3 | Confident | 82 Ų | 82 | 37.5 Ų | 37.5 | 44% | 0.439 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -81.2 | -52.1 | 178.7 | -170 | 43.6 | 0 | 0 | 0 | 112.5 | P1359 V1361 L1417 K1421 | P1359-D1363 WeakPolarHBondContact O-CB 3.38Å; P1359-D1363 PolarHBondContact O-N 3.03Å; V1361-D1363 PolarHBondContact O-N 3.38Å; D1363-L1417 HydrophobicContact CB-CD1 4.06Å; D1363-L1417 HydrophobicContact CB-CD2 4.14Å; D1363-K1421 PolarHBondContact O-NZ 3.36Å; D1363-K1421 WeakPolarHBondContact OD1-CE 3.42Å; D1363-K1421 IonicContact OD1-NZ 3.26Å; D1363-K1421 PolarHBondContact OD1-NZ 3.13Å |
| 1364 | G | 78.8 | Confident | 83.2 | Confident | 33 Ų | 33 | 40.9 Ų | 40.9 | 34% | 0.34 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -81.9 | -25.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | K1360 | K1360-G1364 PolarHBondContact O-N 3.11Å |
| 1365 | N | 75.6 | Confident | 83 | Confident | 11 Ų | 11 | 41.8 Ų | 41.8 | 6% | 0.059 | 21% | 0.21 | C | C | . | . | trans | -142.3 | 93.9 | -175.8 | -164.4 | -44.5 | 0 | 0 | 0 | 114.1 | L1299 A1305 V1361 F1367 F1368 A1369 | L1299-N1365 WeakPolarHBondContact O-CB 3.43Å; A1305-N1365 WeakPolarHBondContact CB-ND2 3.42Å; V1361-N1365 PolarHBondContact O-N 3.49Å; N1365-F1367 VanDerWaalsContact C-N 3.27Å; N1365-F1367 PolarHBondContact O-N 2.85Å; N1365-F1367 PolarHBondContact OD1-N 2.75Å; N1365-F1367 VanDerWaalsContact OD1-N 3.17Å; N1365-F1368 PolarHBondContact O-N 2.87Å; N1365-F1368 PolarHBondContact OD1-N 3.2Å; N1365-A1369 WeakPolarHBondContact O-CB 3.18Å; N1365-A1369 PolarHBondContact O-N 3.06Å | ||
| 1366 | V | 76.8 | Confident | 83 | Confident | 67 Ų | 67 | 41.8 Ų | 41.8 | 41% | 0.406 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.5 | -31 | -178.1 | -175.8 | 0 | 0 | 0 | 0 | 113.3 | R1370 Y1422 | V1366-R1370 WeakPolarHBondContact O-CG 3.39Å; V1366-R1370 PolarHBondContact O-N 2.82Å; V1366-Y1422 HydrophobicContact CG1-CE1 4.18Å |
| 1367 | F | 78.8 | Confident | 83 | Confident | 111 Ų | 111 | 39.2 Ų | 39.2 | 49% | 0.487 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69.2 | -53 | -178.9 | 176.2 | -97.7 | 0 | 0 | 0 | 111.5 | N1365 R1370 | N1365-F1367 VanDerWaalsContact C-N 3.27Å; N1365-F1367 PolarHBondContact O-N 2.85Å; N1365-F1367 PolarHBondContact OD1-N 2.75Å; N1365-F1367 VanDerWaalsContact OD1-N 3.17Å; F1367-R1370 PolarHBondContact O-N 3.07Å |
| 1368 | F | 75.7 | Confident | 82.9 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 1% | 0.013 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -74.3 | -32.6 | 178.5 | -74.2 | -68.9 | 0 | 0 | 0 | 112.7 | W1129 L1299 A1305 Q1318 N1365 R1370 Q1371 I1372 | W1129-F1368 AromaticContact CH2-CE1 3.99Å; W1129-F1368 HydrophobicContact CH2-CE1 3.99Å; W1129-F1368 HydrophobicContact CH2-CZ 4.09Å; W1129-F1368 HydrophobicContact CZ2-CE1 4.02Å; W1129-F1368 HydrophobicContact CZ2-CE2 4.33Å; W1129-F1368 AromaticContact CZ2-CZ 3.65Å; W1129-F1368 HydrophobicContact CZ2-CZ 3.65Å; L1299-F1368 HydrophobicContact CD2-CB 4.21Å; L1299-F1368 HydrophobicContact CD2-CD1 4.11Å; L1299-F1368 HydrophobicContact CD2-CD2 4.3Å; L1299-F1368 HydrophobicContact CD2-CG 3.93Å; A1305-F1368 HydrophobicContact CB-CD2 4.08Å; A1305-F1368 HydrophobicContact CB-CE2 3.91Å; Q1318-F1368 HydrophobicContact CG-CE1 4.43Å; N1365-F1368 PolarHBondContact O-N 2.87Å; N1365-F1368 PolarHBondContact OD1-N 3.2Å; F1368-R1370 VanDerWaalsContact C-N 3.29Å; F1368-R1370 PolarHBondContact O-N 2.87Å; F1368-Q1371 PolarHBondContact O-N 3.46Å; F1368-I1372 PolarHBondContact O-N 2.82Å; F1368-I1372 VanDerWaalsContact O-N 3.08Å |
| 1369 | A | 80.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.7 | -42.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1362 N1365 Q1371 I1372 L1373 Y1422 | L1362-A1369 HydrophobicContact CD2-CB 4.07Å; N1365-A1369 WeakPolarHBondContact O-CB 3.18Å; N1365-A1369 PolarHBondContact O-N 3.06Å; A1369-Q1371 VanDerWaalsContact C-N 3.29Å; A1369-Q1371 PolarHBondContact O-N 2.85Å; A1369-I1372 PolarHBondContact O-N 3.34Å; A1369-L1373 VanDerWaalsContact O-CB 3.3Å; A1369-L1373 WeakPolarHBondContact O-CB 3.25Å; A1369-L1373 PolarHBondContact O-N 2.78Å; A1369-Y1422 HydrophobicContact CB-CE1 4.05Å; A1369-Y1422 WeakPolarHBondContact CB-OH 3.36Å |
| 1370 | R | 81.1 | Confident | 82.8 | Confident | 172 Ų | 172 | 39.4 Ų | 39.4 | 65% | 0.649 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -61.2 | -32.9 | 174.9 | -76.8 | 175.2 | -179 | -173.1 | 1 | 113.7 | V1366 F1367 F1368 Y1422 | V1366-R1370 WeakPolarHBondContact O-CG 3.39Å; V1366-R1370 PolarHBondContact O-N 2.82Å; F1367-R1370 PolarHBondContact O-N 3.07Å; F1368-R1370 VanDerWaalsContact C-N 3.29Å; F1368-R1370 PolarHBondContact O-N 2.87Å; R1370-Y1422 HydrophobicContact CG-CD1 4.43Å; R1370-Y1422 HydrophobicContact CG-CE1 4.21Å |
| 1371 | Q | 81.4 | Confident | 82.8 | Confident | 73 Ų | 73 | 37.5 Ų | 37.5 | 34% | 0.341 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -75.6 | -32 | 177.5 | -59.4 | -173.9 | 19.3 | 0 | 0 | 112.2 | F1368 A1369 | F1368-Q1371 PolarHBondContact O-N 3.46Å; A1369-Q1371 VanDerWaalsContact C-N 3.29Å; A1369-Q1371 PolarHBondContact O-N 2.85Å |
| 1372 | I | 83.5 | Confident | 82.8 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -87.1 | -27.4 | -178.8 | -72.2 | 174.5 | 0 | 0 | 0 | 112.6 | L1299 L1322 F1354 L1358 V1361 F1368 A1369 P1374 I1375 A1376 | L1299-I1372 HydrophobicContact CD1-CD1 3.42Å; L1299-I1372 VanDerWaalsContact CD1-CD1 3.42Å; L1322-I1372 HydrophobicContact CD2-CG1 4.38Å; F1354-I1372 HydrophobicContact CE2-CG2 4.15Å; F1354-I1372 HydrophobicContact CZ-CG2 3.66Å; L1358-I1372 HydrophobicContact CD1-CG2 4.2Å; V1361-I1372 HydrophobicContact CG1-CD1 4.37Å; F1368-I1372 PolarHBondContact O-N 2.82Å; F1368-I1372 VanDerWaalsContact O-N 3.08Å; A1369-I1372 PolarHBondContact O-N 3.34Å; I1372-P1374 VanDerWaalsContact C-N 3.34Å; I1372-P1374 VanDerWaalsContact O-N 3.15Å; I1372-I1375 PolarHBondContact O-N 3.04Å; I1372-A1376 HydrophobicContact CG2-CB 4.26Å; I1372-A1376 PolarHBondContact O-N 3.02Å |
| 1373 | L | 83.5 | Confident | 82.8 | Confident | 16 Ų | 16 | 40.8 Ų | 40.8 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -48.1 | -42.8 | -175.4 | -174.5 | 62.1 | 0 | 0 | 0 | 114.3 | L1362 A1369 I1375 A1376 S1377 I1418 Y1422 | L1362-L1373 HydrophobicContact CD2-CD1 4.47Å; A1369-L1373 VanDerWaalsContact O-CB 3.3Å; A1369-L1373 WeakPolarHBondContact O-CB 3.25Å; A1369-L1373 PolarHBondContact O-N 2.78Å; L1373-I1375 PolarHBondContact O-N 3Å; L1373-A1376 PolarHBondContact O-N 3.04Å; L1373-S1377 WeakPolarHBondContact O-CB 3.44Å; L1373-S1377 PolarHBondContact O-N 2.96Å; L1373-S1377 PolarHBondContact O-OG 3.48Å; L1373-S1377 VanDerWaalsContact O-OG 3.05Å; L1373-I1418 HydrophobicContact CD1-CD1 3.77Å; L1373-I1418 HydrophobicContact CD1-CG1 3.76Å; L1373-Y1422 HydrophobicContact CD2-CD1 4.28Å; L1373-Y1422 HydrophobicContact CD2-CG 4.41Å |
| 1374 | P | 83 | Confident | 82.6 | Confident | 78 Ų | 78 | 36.9 Ų | 36.9 | 51% | 0.506 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.4 | -41.6 | 178.2 | -23.9 | 35.2 | 0 | 0 | 0 | 113.6 | I1372 S1378 | I1372-P1374 VanDerWaalsContact C-N 3.34Å; I1372-P1374 VanDerWaalsContact O-N 3.15Å; P1374-S1378 PolarHBondContact O-N 3.5Å; P1374-S1378 PolarHBondContact O-OG 3.48Å |
| 1375 | I | 84.5 | Confident | 82.4 | Confident | 21 Ų | 21 | 37 Ų | 37 | 11% | 0.108 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.4 | -42.4 | 179.9 | -60.7 | 142.5 | 0 | 0 | 0 | 109.8 | N1326 L1329 Y1331 I1372 L1373 S1378 L1379 | N1326-I1375 WeakPolarHBondContact OD1-CD1 3.41Å; L1329-I1375 HydrophobicContact CD1-CG2 4.19Å; Y1331-I1375 HydrophobicContact CD1-CG1 4.11Å; Y1331-I1375 HydrophobicContact CE1-CG1 3.98Å; I1372-I1375 PolarHBondContact O-N 3.04Å; L1373-I1375 PolarHBondContact O-N 3Å; I1375-S1378 PolarHBondContact O-N 2.84Å; I1375-L1379 WeakPolarHBondContact O-CB 3.43Å; I1375-L1379 PolarHBondContact O-N 2.98Å |
| 1376 | A | 87 | Confident | 81.8 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.9 | -47.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L1358 I1372 L1373 S1378 L1379 L1380 | L1358-A1376 HydrophobicContact CD1-CB 3.81Å; L1358-A1376 HydrophobicContact CD2-CB 3.79Å; L1358-A1376 HydrophobicContact CG-CB 4.46Å; I1372-A1376 HydrophobicContact CG2-CB 4.26Å; I1372-A1376 PolarHBondContact O-N 3.02Å; L1373-A1376 PolarHBondContact O-N 3.04Å; A1376-S1378 PolarHBondContact O-N 3.39Å; A1376-L1379 WeakPolarHBondContact O-CB 3.47Å; A1376-L1379 PolarHBondContact O-N 3.22Å; A1376-L1380 VanDerWaalsContact O-CG 3.27Å; A1376-L1380 WeakPolarHBondContact O-CG 3.29Å; A1376-L1380 PolarHBondContact O-N 3.31Å |
| 1377 | S | 85.5 | Confident | 80.6 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.1 | -41.6 | 177.8 | -64.3 | 0 | 0 | 0 | 0 | 112.5 | L1373 L1381 | L1373-S1377 WeakPolarHBondContact O-CB 3.44Å; L1373-S1377 PolarHBondContact O-N 2.96Å; L1373-S1377 PolarHBondContact O-OG 3.48Å; L1373-S1377 VanDerWaalsContact O-OG 3.05Å; S1377-L1381 PolarHBondContact O-N 3.42Å |
| 1378 | S | 84.8 | Confident | 79 | Confident | 36 Ų | 36 | 42.6 Ų | 42.6 | 25% | 0.252 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.8 | -41.4 | 172.2 | -64.6 | 0 | 0 | 0 | 0 | 112.3 | P1374 I1375 A1376 L1381 Y1382 | P1374-S1378 PolarHBondContact O-N 3.5Å; P1374-S1378 PolarHBondContact O-OG 3.48Å; I1375-S1378 PolarHBondContact O-N 2.84Å; A1376-S1378 PolarHBondContact O-N 3.39Å; S1378-L1381 PolarHBondContact O-N 3.4Å; S1378-Y1382 WeakPolarHBondContact O-CB 3.41Å; S1378-Y1382 PolarHBondContact O-N 3.27Å |
| 1379 | L | 87.3 | Confident | 77.2 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.3 | -46.4 | 179.3 | -177.4 | 66.1 | 0 | 0 | 0 | 112.2 | F1338 L1345 F1354 I1375 A1376 L1381 Y1382 L1383 | F1338-L1379 HydrophobicContact CE1-CD1 4.14Å; F1338-L1379 HydrophobicContact CZ-CB 3.87Å; F1338-L1379 HydrophobicContact CZ-CD1 3.95Å; L1345-L1379 HydrophobicContact CD2-CD1 3.46Å; L1345-L1379 VanDerWaalsContact CD2-CD1 3.46Å; L1345-L1379 HydrophobicContact CG-CD1 4.31Å; F1354-L1379 HydrophobicContact CD1-CD2 3.48Å; F1354-L1379 VanDerWaalsContact CD1-CD2 3.48Å; F1354-L1379 HydrophobicContact CE1-CD2 3.74Å; I1375-L1379 WeakPolarHBondContact O-CB 3.43Å; I1375-L1379 PolarHBondContact O-N 2.98Å; A1376-L1379 WeakPolarHBondContact O-CB 3.47Å; A1376-L1379 PolarHBondContact O-N 3.22Å; L1379-L1381 VanDerWaalsContact C-N 3.26Å; L1379-L1381 PolarHBondContact O-N 2.74Å; L1379-Y1382 PolarHBondContact O-N 2.86Å; L1379-L1383 HydrophobicContact CD1-CD1 3.95Å; L1379-L1383 HydrophobicContact CD1-CD2 4.29Å; L1379-L1383 HydrophobicContact CD1-CG 3.88Å; L1379-L1383 HydrophobicContact CD2-CD1 4.43Å; L1379-L1383 HydrophobicContact CG-CD1 3.8Å; L1379-L1383 HydrophobicContact CG-CG 4.18Å; L1379-L1383 WeakPolarHBondContact O-CG 3.35Å; L1379-L1383 PolarHBondContact O-N 3.46Å |
| 1380 | L | 88.1 | Confident | 75.2 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.4 | -35.2 | 178.6 | -69.3 | 170.1 | 0 | 0 | 0 | 111.9 | L1355 A1376 P1384 W1411 I1418 L1436 | L1355-L1380 HydrophobicContact CD1-CD2 3.68Å; A1376-L1380 VanDerWaalsContact O-CG 3.27Å; A1376-L1380 WeakPolarHBondContact O-CG 3.29Å; A1376-L1380 PolarHBondContact O-N 3.31Å; L1380-P1384 WeakPolarHBondContact O-CD 3.42Å; L1380-W1411 HydrophobicContact CD2-CB 4.21Å; L1380-W1411 HydrophobicContact CD2-CD2 4.26Å; L1380-W1411 HydrophobicContact CD2-CG 3.67Å; L1380-W1411 PolarHBondContact O-NE1 3.35Å; L1380-I1418 HydrophobicContact CD1-CD1 4Å; L1380-L1436 HydrophobicContact CB-CD2 3.84Å |
| 1381 | L | 86.4 | Confident | 73.1 | Confident | 67 Ų | 67 | 54 Ų | 54 | 35% | 0.351 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -75.2 | -35.6 | 175.7 | -175.3 | 63 | 0 | 0 | 0 | 112.9 | S1377 S1378 L1379 L1436 I1439 | S1377-L1381 PolarHBondContact O-N 3.42Å; S1378-L1381 PolarHBondContact O-N 3.4Å; L1379-L1381 VanDerWaalsContact C-N 3.26Å; L1379-L1381 PolarHBondContact O-N 2.74Å; L1381-L1436 HydrophobicContact CB-CD2 4.44Å; L1381-I1439 HydrophobicContact CD1-CD1 4.18Å |
| 1382 | Y | 85.2 | Confident | 70.9 | Confident | 68 Ų | 68 | 55.8 Ų | 55.8 | 27% | 0.267 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -80.6 | -36.5 | -174.2 | -169.6 | -110 | 0 | 0 | 0 | 113.6 | F1338 M1340 P1341 S1342 L1345 S1378 L1379 S1385 | F1338-Y1382 HydrophobicContact CB-CD1 4.15Å; F1338-Y1382 HydrophobicContact CB-CE1 3.89Å; F1338-Y1382 AromaticContact CD2-CD1 3.62Å; F1338-Y1382 HydrophobicContact CD2-CD1 3.62Å; F1338-Y1382 HydrophobicContact CD2-CD2 4.31Å; F1338-Y1382 HydrophobicContact CD2-CE1 4.23Å; F1338-Y1382 AromaticContact CD2-CG 3.66Å; F1338-Y1382 HydrophobicContact CD2-CG 3.66Å; F1338-Y1382 HydrophobicContact CE2-CD1 4.33Å; F1338-Y1382 HydrophobicContact CE2-CG 4.21Å; F1338-Y1382 HydrophobicContact CG-CD1 4.05Å; F1338-Y1382 HydrophobicContact CG-CE1 4.3Å; M1340-Y1382 WeakPolarHBondContact O-CE1 3.27Å; M1340-Y1382 PolarHBondContact O-OH 3.23Å; P1341-Y1382 WeakPolarHBondContact CA-OH 3.21Å; S1342-Y1382 PolarHBondContact N-OH 3.42Å; L1345-Y1382 HydrophobicContact CD2-CD1 3.65Å; L1345-Y1382 HydrophobicContact CD2-CE1 4.1Å; S1378-Y1382 WeakPolarHBondContact O-CB 3.41Å; S1378-Y1382 PolarHBondContact O-N 3.27Å; L1379-Y1382 PolarHBondContact O-N 2.86Å; Y1382-S1385 WeakPolarHBondContact O-CB 3.14Å; Y1382-S1385 PolarHBondContact O-N 3.26Å; Y1382-S1385 PolarHBondContact O-OG 3.37Å |
| 1383 | L | 85.4 | Confident | 68.6 | Low | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -42.3 | -176.1 | -77.5 | 171.1 | 0 | 0 | 0 | 114.8 | L1345 R1346 L1355 L1379 S1385 L1403 | L1345-L1383 HydrophobicContact CB-CD2 4.39Å; L1345-L1383 HydrophobicContact CD2-CD2 4.18Å; L1345-L1383 HydrophobicContact CG-CD2 4.29Å; R1346-L1383 VanDerWaalsContact CD-O 3.31Å; R1346-L1383 WeakPolarHBondContact CD-O 3.38Å; R1346-L1383 HydrophobicContact CG-CD2 3.84Å; R1346-L1383 PolarHBondContact NE-O 3.12Å; R1346-L1383 VanDerWaalsContact NE-O 3.07Å; L1355-L1383 HydrophobicContact CD2-CD1 3.98Å; L1379-L1383 HydrophobicContact CD1-CD1 3.95Å; L1379-L1383 HydrophobicContact CD1-CD2 4.29Å; L1379-L1383 HydrophobicContact CD1-CG 3.88Å; L1379-L1383 HydrophobicContact CD2-CD1 4.43Å; L1379-L1383 HydrophobicContact CG-CD1 3.8Å; L1379-L1383 HydrophobicContact CG-CG 4.18Å; L1379-L1383 WeakPolarHBondContact O-CG 3.35Å; L1379-L1383 PolarHBondContact O-N 3.46Å; L1383-S1385 VanDerWaalsContact C-N 3.27Å; L1383-S1385 PolarHBondContact O-N 3.5Å; L1383-L1403 HydrophobicContact CB-CD2 4.27Å |
| 1384 | P | 81.1 | Confident | 66.3 | Low | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -1.4 | 179 | -17 | 34 | 0 | 0 | 0 | 115 | L1380 L1400 I1439 | L1380-P1384 WeakPolarHBondContact O-CD 3.42Å; P1384-L1400 HydrophobicContact CG-CD2 3.97Å; P1384-I1439 HydrophobicContact CB-CD1 4.49Å; P1384-I1439 HydrophobicContact CB-CG2 4.46Å; P1384-I1439 HydrophobicContact CG-CD1 4.34Å; P1384-I1439 HydrophobicContact CG-CG2 4.48Å |
| 1385 | S | 75 | Confident | 64.2 | Low | 37 Ų | 37 | 73.9 Ų | 73.9 | 26% | 0.259 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -74.2 | 142.6 | -179.5 | 67.1 | 0 | 0 | 0 | 0 | 112.2 | S1342 R1346 Y1382 L1383 | S1342-S1385 WeakPolarHBondContact CB-OG 3.49Å; S1342-S1385 PolarHBondContact OG-O 3.15Å; R1346-S1385 PolarHBondContact NH2-O 2.43Å; Y1382-S1385 WeakPolarHBondContact O-CB 3.14Å; Y1382-S1385 PolarHBondContact O-N 3.26Å; Y1382-S1385 PolarHBondContact O-OG 3.37Å; L1383-S1385 VanDerWaalsContact C-N 3.27Å; L1383-S1385 PolarHBondContact O-N 3.5Å |
| 1386 | Q | 62.3 | Low | 62.3 | Low | 146 Ų | 146 | 76.8 Ų | 76.8 | 68% | 0.682 | 44% | 0.437 | S | S | * | . | trans | -77.7 | 149.4 | 174 | -70.9 | -165.8 | 7.3 | 0 | 0 | 112 | A1388 L1402 | Q1386-A1388 VanDerWaalsContact C-N 3.34Å; Q1386-A1388 PolarHBondContact O-N 2.93Å; Q1386-L1402 HydrophobicContact CG-CD1 3.86Å | ||
| 1387 | D | 52.6 | Low | 60.5 | Low | 81 Ų | 81 | 82.2 Ų | 82.2 | 43% | 0.433 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -76.2 | 77 | -175.1 | -68.8 | -86.9 | 0 | 0 | 0 | 113.4 | S1342 S1343 R1346 | S1342-D1387 PolarHBondContact N-OD1 3.24Å; S1342-D1387 PolarHBondContact OG-OD1 3.33Å; S1342-D1387 PolarHBondContact OG-OD2 3.42Å; S1343-D1387 VanDerWaalsContact CB-CG 3.4Å; S1343-D1387 WeakPolarHBondContact CB-OD1 3.42Å; S1343-D1387 WeakPolarHBondContact CB-OD2 3.43Å; S1343-D1387 PolarHBondContact N-OD1 3.01Å; S1343-D1387 PolarHBondContact N-OD2 2.78Å; S1343-D1387 VanDerWaalsContact OG-CG 3.25Å; S1343-D1387 PolarHBondContact OG-OD1 3.07Å; R1346-D1387 IonicContact CZ-OD2 2.8Å; R1346-D1387 IonicContact NH2-OD2 2.74Å; R1346-D1387 PolarHBondContact NH2-OD2 3.22Å |
| 1388 | A | 44.9 | Very low | 59.6 | Low | 79 Ų | 79 | 83.8 Ų | 83.8 | 65% | 0.653 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -124.1 | 159.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q1386 A1390 | Q1386-A1388 VanDerWaalsContact C-N 3.34Å; Q1386-A1388 PolarHBondContact O-N 2.93Å; A1388-A1390 HydrophobicContact CB-CB 4.42Å; A1388-A1390 PolarHBondContact O-N 3.04Å |
| 1389 | K | 39.1 | Very low | 59.5 | Low | 221 Ų | 221 | 82.9 Ų | 82.9 | 96% | 0.961 | 48% | 0.477 | S | S | * | . | trans | -72.5 | 32.8 | 179.1 | -68.9 | 176.2 | 173.3 | 174.6 | 0 | 113.3 | T1391 | K1389-T1391 PolarHBondContact O-N 3.1Š| ||
| 1390 | A | 37.3 | Very low | 59.3 | Low | 54 Ų | 54 | 82.9 Ų | 82.9 | 45% | 0.446 | 48% | 0.477 | S | S | . | . | trans | -93.3 | 83.6 | -165.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1388 S1392 E1393 | A1388-A1390 HydrophobicContact CB-CB 4.42Å; A1388-A1390 PolarHBondContact O-N 3.04Å; A1390-S1392 PolarHBondContact O-N 2.96Å; A1390-E1393 HydrophobicContact CB-CB 4.3Å | ||
| 1391 | T | 37.9 | Very low | 58.8 | Low | 139 Ų | 139 | 86 Ų | 86 | 85% | 0.853 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -69.4 | -2.5 | 153 | 37.7 | 0 | 0 | 0 | 0 | 112.7 | K1389 | K1389-T1391 PolarHBondContact O-N 3.1Š|
| 1392 | S | 35.1 | Very low | 58.5 | Low | 110 Ų | 110 | 86 Ų | 86 | 77% | 0.769 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -115.7 | -5.7 | -169.3 | -152.3 | 0 | 0 | 0 | 0 | 116.5 | A1390 | A1390-S1392 PolarHBondContact O-N 2.96Š|
| 1393 | E | 34.4 | Very low | 58.4 | Low | 162 Ų | 162 | 83.2 Ų | 83.2 | 76% | 0.757 | 48% | 0.479 | S | S | * | . | trans | -122.2 | 67.5 | 179.6 | -70.6 | -173.6 | -166.8 | 0 | 0 | 112.2 | A1390 G1395 | A1390-E1393 HydrophobicContact CB-CB 4.3Å; E1393-G1395 PolarHBondContact O-N 3.42Å | ||
| 1394 | R | 35.8 | Very low | 58.2 | Low | 237 Ų | 237 | 90 Ų | 90 | 89% | 0.894 | 51% | 0.511 | S | S | * | . | trans | -76.8 | 94.3 | 165.8 | -64.1 | -178.4 | -176.7 | -174.4 | 0.6 | 109.1 | ||||
| 1395 | G | 38.3 | Very low | 58 | Low | 80 Ų | 80 | 92.8 Ų | 92.8 | 83% | 0.825 | 53% | 0.528 | S | S | * | . | S | Bend | trans | 171.6 | -19.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | E1393 | E1393-G1395 PolarHBondContact O-N 3.42Š|
| 1396 | A | 44.1 | Very low | 58.2 | Low | 81 Ų | 81 | 94.3 Ų | 94.3 | 67% | 0.669 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -113.2 | 113.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1398 | A1396-S1398 PolarHBondContact O-N 2.79Š|
| 1397 | C | 51 | Low | 59.3 | Low | 115 Ų | 115 | 88 Ų | 88 | 78% | 0.777 | 51% | 0.507 | S | S | * | . | trans | 63.4 | 34 | 154 | -57.1 | 0 | 0 | 0 | 0 | 119.2 | T1399 | C1397-T1399 PolarHBondContact O-N 2.95Š| ||
| 1398 | S | 66.3 | Low | 61 | Low | 45 Ų | 45 | 84.8 Ų | 84.8 | 32% | 0.315 | 49% | 0.488 | S | S | . | . | trans | -77.3 | 119.4 | 164 | 43 | 0 | 0 | 0 | 0 | 111.8 | A1396 | A1396-S1398 PolarHBondContact O-N 2.79Š| ||
| 1399 | T | 81 | Confident | 63 | Low | 17 Ų | 17 | 83 Ų | 83 | 10% | 0.104 | 47% | 0.466 | C | S | . | . | trans | -113.1 | 162 | 172 | 61.2 | 0 | 0 | 0 | 0 | 109.5 | C1397 W1401 E1638 | C1397-T1399 PolarHBondContact O-N 2.95Å; T1399-W1401 PolarHBondContact O-N 3.1Å; T1399-W1401 WeakPolarHBondContact OG1-CB 3.49Å; T1399-E1638 WeakPolarHBondContact CB-OE2 3.13Å; T1399-E1638 WeakPolarHBondContact CG2-OE2 3.47Å; T1399-E1638 VanDerWaalsContact OG1-CD 3.32Å; T1399-E1638 PolarHBondContact OG1-OE1 2.9Å; T1399-E1638 PolarHBondContact OG1-OE2 3.38Å | ||
| 1400 | L | 84.1 | Confident | 65.4 | Low | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.01 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -71.5 | -4 | 175 | -61.7 | 178.2 | 0 | 0 | 0 | 113.2 | P1384 L1402 L1403 R1408 W1411 L1412 I1439 T1443 | P1384-L1400 HydrophobicContact CG-CD2 3.97Å; L1400-L1402 PolarHBondContact O-N 3.18Å; L1400-L1402 VanDerWaalsContact O-N 3.16Å; L1400-L1403 HydrophobicContact CD2-CD1 4.27Å; L1400-L1403 WeakPolarHBondContact O-CB 3.42Å; L1400-L1403 PolarHBondContact O-N 3.4Å; L1400-R1408 HydrophobicContact CB-CG 4.13Å; L1400-R1408 VanDerWaalsContact O-CD 3.28Å; L1400-R1408 WeakPolarHBondContact O-CD 3.45Å; L1400-R1408 WeakPolarHBondContact O-CG 3.47Å; L1400-W1411 HydrophobicContact CD1-CD2 4.27Å; L1400-W1411 HydrophobicContact CD1-CE3 3.74Å; L1400-W1411 HydrophobicContact CD1-CZ3 3.96Å; L1400-W1411 HydrophobicContact CD2-CD2 3.57Å; L1400-W1411 HydrophobicContact CD2-CE3 3.82Å; L1400-W1411 HydrophobicContact CD2-CG 4.06Å; L1400-W1411 HydrophobicContact CD2-CH2 4.07Å; L1400-W1411 HydrophobicContact CD2-CZ2 3.8Å; L1400-W1411 HydrophobicContact CD2-CZ3 4.08Å; L1400-W1411 HydrophobicContact CG-CE3 4.43Å; L1400-L1412 HydrophobicContact CD1-CD1 4.3Å; L1400-L1412 HydrophobicContact CD1-CD2 4Å; L1400-L1412 HydrophobicContact CD1-CG 3.98Å; L1400-I1439 HydrophobicContact CD2-CG2 3.61Å; L1400-I1439 HydrophobicContact CG-CG2 3.91Å; L1400-T1443 HydrophobicContact CB-CG2 4.05Å; L1400-T1443 HydrophobicContact CG-CG2 4.41Å; L1400-T1443 PolarHBondContact N-OG1 3.47Å |
| 1401 | W | 77.8 | Confident | 68.1 | Low | 65 Ų | 65 | 70.5 Ų | 70.5 | 25% | 0.246 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -57.4 | -30 | -173.9 | -179.5 | -113.3 | 0 | 0 | 0 | 114.9 | T1399 L1403 E1638 V1639 | T1399-W1401 PolarHBondContact O-N 3.1Å; T1399-W1401 WeakPolarHBondContact OG1-CB 3.49Å; W1401-L1403 PolarHBondContact O-N 3.27Å; W1401-L1403 VanDerWaalsContact O-N 3.11Å; W1401-E1638 HydrophobicContact CB-CB 4.31Å; W1401-E1638 HydrophobicContact CB-CG 3.91Å; W1401-E1638 WeakPolarHBondContact CB-OE1 3.48Å; W1401-E1638 HydrophobicContact CD2-CB 3.76Å; W1401-E1638 HydrophobicContact CD2-CG 3.81Å; W1401-E1638 HydrophobicContact CE3-CB 3.81Å; W1401-E1638 HydrophobicContact CE3-CG 4.39Å; W1401-E1638 HydrophobicContact CG-CB 3.98Å; W1401-E1638 HydrophobicContact CG-CG 3.56Å; W1401-E1638 HydrophobicContact CZ3-CB 4.44Å; W1401-V1639 WeakPolarHBondContact CZ3-O 3.19Å |
| 1402 | L | 80.5 | Confident | 70.8 | Confident | 66 Ų | 66 | 64 Ų | 64 | 35% | 0.346 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -72.9 | 4.7 | 177.1 | -66.6 | 173.8 | 0 | 0 | 0 | 114.2 | R1346 Q1386 L1400 | R1346-L1402 VanDerWaalsContact CD-O 3.29Å; R1346-L1402 WeakPolarHBondContact CD-O 3.43Å; Q1386-L1402 HydrophobicContact CG-CD1 3.86Å; L1400-L1402 PolarHBondContact O-N 3.18Å; L1400-L1402 VanDerWaalsContact O-N 3.16Å |
| 1403 | L | 82.7 | Confident | 73.5 | Confident | 10 Ų | 10 | 64.7 Ų | 64.7 | 5% | 0.052 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -112.9 | 139.7 | 176.2 | -61.6 | 173.6 | 0 | 0 | 0 | 110.8 | R1346 L1383 L1400 W1401 A1407 R1408 | R1346-L1403 HydrophobicContact CG-CD2 3.95Å; L1383-L1403 HydrophobicContact CB-CD2 4.27Å; L1400-L1403 HydrophobicContact CD2-CD1 4.27Å; L1400-L1403 WeakPolarHBondContact O-CB 3.42Å; L1400-L1403 PolarHBondContact O-N 3.4Å; W1401-L1403 PolarHBondContact O-N 3.27Å; W1401-L1403 VanDerWaalsContact O-N 3.11Å; L1403-A1407 HydrophobicContact CB-CB 4.12Å; L1403-R1408 HydrophobicContact CB-CG 3.73Å; L1403-R1408 WeakPolarHBondContact O-CD 3.34Å; L1403-R1408 WeakPolarHBondContact O-CG 3.43Å; L1403-R1408 PolarHBondContact O-NE 3.43Å; L1403-R1408 VanDerWaalsContact O-NE 3.17Å |
| 1404 | E | 79.9 | Confident | 76.2 | Confident | 144 Ų | 144 | 57 Ų | 57 | 67% | 0.673 | 31% | 0.313 | S | S | * | . | trans | -55.9 | 150.8 | 170.5 | -67.9 | -62.3 | 162.3 | 0 | 0 | 111.7 | L1406 A1407 R1408 | E1404-L1406 VanDerWaalsContact C-N 3.33Å; E1404-L1406 PolarHBondContact O-N 3.5Å; E1404-L1406 VanDerWaalsContact O-N 3.16Å; E1404-A1407 WeakPolarHBondContact O-CA 3.48Å; E1404-A1407 WeakPolarHBondContact O-CB 3.35Å; E1404-A1407 PolarHBondContact O-N 3.09Å; E1404-R1408 PolarHBondContact O-N 3Å | ||
| 1405 | P | 78.2 | Confident | 79 | Confident | 57 Ų | 57 | 45.8 Ų | 45.8 | 37% | 0.37 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -48.1 | -48.6 | -174.3 | -25.3 | 30 | 0 | 0 | 0 | 114.5 | A1407 R1408 H1409 | P1405-A1407 VanDerWaalsContact C-N 3.29Å; P1405-A1407 PolarHBondContact O-N 3.36Å; P1405-R1408 WeakPolarHBondContact O-CB 3.45Å; P1405-R1408 PolarHBondContact O-N 2.91Å; P1405-R1408 VanDerWaalsContact O-N 3.09Å; P1405-H1409 PolarHBondContact O-N 2.96Å |
| 1406 | L | 79.1 | Confident | 81.6 | Confident | 69 Ų | 69 | 43 Ų | 43 | 36% | 0.361 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66 | -30.6 | -179.9 | -62.6 | 157 | 0 | 0 | 0 | 112.9 | C1246 E1404 S1410 | C1246-L1406 HydrophobicContact CB-CD1 3.25Å; C1246-L1406 HydrophobicContact CB-CD2 4.44Å; C1246-L1406 HydrophobicContact CB-CG 4.47Å; E1404-L1406 VanDerWaalsContact C-N 3.33Å; E1404-L1406 PolarHBondContact O-N 3.5Å; E1404-L1406 VanDerWaalsContact O-N 3.16Å; L1406-S1410 WeakPolarHBondContact O-CB 3.21Å; L1406-S1410 PolarHBondContact O-N 3.3Å; L1406-S1410 PolarHBondContact O-OG 3.3Å |
| 1407 | A | 84.9 | Confident | 83.8 | Confident | 15 Ų | 15 | 40 Ų | 40 | 12% | 0.124 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -74.1 | -36.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | L1355 L1403 E1404 P1405 S1410 W1411 | L1355-A1407 HydrophobicContact CD2-CB 4Å; L1403-A1407 HydrophobicContact CB-CB 4.12Å; E1404-A1407 WeakPolarHBondContact O-CA 3.48Å; E1404-A1407 WeakPolarHBondContact O-CB 3.35Å; E1404-A1407 PolarHBondContact O-N 3.09Å; P1405-A1407 VanDerWaalsContact C-N 3.29Å; P1405-A1407 PolarHBondContact O-N 3.36Å; A1407-S1410 PolarHBondContact O-N 3.12Å; A1407-W1411 WeakPolarHBondContact O-CB 3.46Å; A1407-W1411 PolarHBondContact O-N 3.14Å |
| 1408 | R | 87.6 | Confident | 85.6 | Confident | 13 Ų | 13 | 34.6 Ų | 34.6 | 5% | 0.049 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.6 | -47 | 171.7 | -64.1 | -173.2 | -81.4 | 110.8 | -4.8 | 111.2 | L1400 L1403 E1404 P1405 W1411 L1412 D1641 T1644 | L1400-R1408 HydrophobicContact CB-CG 4.13Å; L1400-R1408 VanDerWaalsContact O-CD 3.28Å; L1400-R1408 WeakPolarHBondContact O-CD 3.45Å; L1400-R1408 WeakPolarHBondContact O-CG 3.47Å; L1403-R1408 HydrophobicContact CB-CG 3.73Å; L1403-R1408 WeakPolarHBondContact O-CD 3.34Å; L1403-R1408 WeakPolarHBondContact O-CG 3.43Å; L1403-R1408 PolarHBondContact O-NE 3.43Å; L1403-R1408 VanDerWaalsContact O-NE 3.17Å; E1404-R1408 PolarHBondContact O-N 3Å; P1405-R1408 WeakPolarHBondContact O-CB 3.45Å; P1405-R1408 PolarHBondContact O-N 2.91Å; P1405-R1408 VanDerWaalsContact O-N 3.09Å; R1408-W1411 PolarHBondContact O-N 3.27Å; R1408-L1412 WeakPolarHBondContact O-CG 3.47Å; R1408-L1412 PolarHBondContact O-N 3.4Å; R1408-D1641 IonicContact CZ-OD1 3.75Å; R1408-D1641 VanDerWaalsContact CZ-OD1 3.26Å; R1408-D1641 IonicContact NH1-OD1 3.1Å; R1408-D1641 PolarHBondContact NH1-OD1 2.87Å; R1408-D1641 IonicContact NH2-OD1 3.03Å; R1408-D1641 PolarHBondContact NH2-OD1 3.09Å; R1408-T1644 PolarHBondContact NH1-OG1 2.89Å |
| 1409 | H | 88.3 | Confident | 86.8 | Confident | 41 Ų | 41 | 32.5 Ų | 32.5 | 19% | 0.19 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.9 | -47.5 | 173.9 | -70.6 | 175.9 | 0 | 0 | 0 | 112.6 | P1405 W1411 L1412 W1413 D1641 E1643 T1644 | P1405-H1409 PolarHBondContact O-N 2.96Å; H1409-W1411 VanDerWaalsContact C-N 3.29Å; H1409-W1411 PolarHBondContact O-N 3.45Å; H1409-L1412 PolarHBondContact O-N 3.3Å; H1409-W1413 WeakPolarHBondContact O-CB 3.5Å; H1409-W1413 PolarHBondContact O-N 3.44Å; H1409-D1641 IonicContact CD2-OD2 3.35Å; H1409-D1641 IonicContact CE1-OD2 2.71Å; H1409-D1641 IonicContact NE2-OD1 3.75Å; H1409-D1641 IonicContact NE2-OD2 2.95Å; H1409-D1641 PolarHBondContact NE2-OD2 3.37Å; H1409-E1643 IonicContact CE1-OE2 3.63Å; H1409-E1643 PolarHBondContact CE1-OE2 3.44Å; H1409-E1643 WeakPolarHBondContact NE2-CB 3.36Å; H1409-T1644 PolarHBondContact CD2-OG1 3.43Å; H1409-T1644 PolarHBondContact NE2-N 3.37Å; H1409-T1644 PolarHBondContact NE2-OG1 2.95Å |
| 1410 | S | 89.7 | Confident | 87.1 | Confident | 12 Ų | 12 | 39.6 Ų | 39.6 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.6 | -36.3 | 179.1 | -58.2 | 0 | 0 | 0 | 0 | 112.5 | L1406 A1407 S1414 | L1406-S1410 WeakPolarHBondContact O-CB 3.21Å; L1406-S1410 PolarHBondContact O-N 3.3Å; L1406-S1410 PolarHBondContact O-OG 3.3Å; A1407-S1410 PolarHBondContact O-N 3.12Å; S1410-S1414 WeakPolarHBondContact O-CB 3.43Å; S1410-S1414 PolarHBondContact O-N 3.33Å; S1410-S1414 PolarHBondContact O-OG 3.29Å |
| 1411 | W | 94.2 | Very high | 87.2 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.6 | -48.5 | 174.4 | -170.7 | 109.6 | 0 | 0 | 0 | 111.2 | L1380 L1400 A1407 R1408 H1409 S1414 L1415 L1436 I1439 V1440 | L1380-W1411 HydrophobicContact CD2-CB 4.21Å; L1380-W1411 HydrophobicContact CD2-CD2 4.26Å; L1380-W1411 HydrophobicContact CD2-CG 3.67Å; L1380-W1411 PolarHBondContact O-NE1 3.35Å; L1400-W1411 HydrophobicContact CD1-CD2 4.27Å; L1400-W1411 HydrophobicContact CD1-CE3 3.74Å; L1400-W1411 HydrophobicContact CD1-CZ3 3.96Å; L1400-W1411 HydrophobicContact CD2-CD2 3.57Å; L1400-W1411 HydrophobicContact CD2-CE3 3.82Å; L1400-W1411 HydrophobicContact CD2-CG 4.06Å; L1400-W1411 HydrophobicContact CD2-CH2 4.07Å; L1400-W1411 HydrophobicContact CD2-CZ2 3.8Å; L1400-W1411 HydrophobicContact CD2-CZ3 4.08Å; L1400-W1411 HydrophobicContact CG-CE3 4.43Å; A1407-W1411 WeakPolarHBondContact O-CB 3.46Å; A1407-W1411 PolarHBondContact O-N 3.14Å; R1408-W1411 PolarHBondContact O-N 3.27Å; H1409-W1411 VanDerWaalsContact C-N 3.29Å; H1409-W1411 PolarHBondContact O-N 3.45Å; W1411-S1414 WeakPolarHBondContact O-CB 3.43Å; W1411-S1414 PolarHBondContact O-N 3.49Å; W1411-L1415 HydrophobicContact CE3-CB 4.49Å; W1411-L1415 HydrophobicContact CH2-CD2 4.02Å; W1411-L1415 HydrophobicContact CZ3-CB 4.28Å; W1411-L1415 HydrophobicContact CZ3-CD2 3.63Å; W1411-L1415 PolarHBondContact O-N 3.46Å; W1411-L1436 HydrophobicContact CH2-CB 4.05Å; W1411-L1436 HydrophobicContact CH2-CD2 4Å; W1411-L1436 HydrophobicContact CZ2-CB 4.35Å; W1411-L1436 HydrophobicContact CZ2-CD2 3.41Å; W1411-L1436 VanDerWaalsContact CZ2-CD2 3.41Å; W1411-L1436 HydrophobicContact CZ2-CG 4.44Å; W1411-I1439 HydrophobicContact CH2-CB 4.3Å; W1411-I1439 HydrophobicContact CH2-CG2 4.11Å; W1411-I1439 HydrophobicContact CZ2-CB 4.46Å; W1411-I1439 HydrophobicContact CZ2-CD1 4.38Å; W1411-I1439 HydrophobicContact CZ2-CG2 4.12Å; W1411-V1440 HydrophobicContact CH2-CG2 4.09Å; W1411-V1440 HydrophobicContact CZ3-CG2 3.73Å |
| 1412 | L | 93.7 | Very high | 87.6 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.1 | -43.5 | 179.8 | -74.9 | 169.4 | 0 | 0 | 0 | 112.3 | L1400 R1408 H1409 S1414 L1415 L1416 V1440 T1644 L1647 | L1400-L1412 HydrophobicContact CD1-CD1 4.3Å; L1400-L1412 HydrophobicContact CD1-CD2 4Å; L1400-L1412 HydrophobicContact CD1-CG 3.98Å; R1408-L1412 WeakPolarHBondContact O-CG 3.47Å; R1408-L1412 PolarHBondContact O-N 3.4Å; H1409-L1412 PolarHBondContact O-N 3.3Å; L1412-S1414 VanDerWaalsContact C-N 3.31Å; L1412-S1414 PolarHBondContact O-N 3.2Å; L1412-L1415 PolarHBondContact O-N 3.07Å; L1412-L1416 WeakPolarHBondContact O-CB 3.31Å; L1412-L1416 PolarHBondContact O-N 3.37Å; L1412-V1440 HydrophobicContact CD2-CG2 4.04Å; L1412-T1644 HydrophobicContact CD1-CG2 3.85Å; L1412-T1644 WeakPolarHBondContact CD1-O 3.44Å; L1412-L1647 HydrophobicContact CB-CB 4.2Å; L1412-L1647 HydrophobicContact CD1-CB 3.97Å |
| 1413 | W | 90.9 | Very high | 87.8 | Confident | 124 Ų | 124 | 45.4 Ų | 45.4 | 47% | 0.47 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62 | -37.5 | 173.3 | -87.2 | 108.1 | 0 | 0 | 0 | 112.7 | P1359 H1409 L1416 L1417 L1647 | P1359-W1413 HydrophobicContact CB-CB 4.18Å; P1359-W1413 HydrophobicContact CG-CB 4.01Å; H1409-W1413 WeakPolarHBondContact O-CB 3.5Å; H1409-W1413 PolarHBondContact O-N 3.44Å; W1413-L1416 HydrophobicContact CE3-CD2 4.04Å; W1413-L1416 HydrophobicContact CZ3-CD2 3.93Å; W1413-L1416 PolarHBondContact O-N 2.88Å; W1413-L1417 WeakPolarHBondContact O-CB 3.35Å; W1413-L1417 WeakPolarHBondContact O-CG 3.3Å; W1413-L1417 PolarHBondContact O-N 2.8Å; W1413-L1647 HydrophobicContact CD2-CD2 4.5Å; W1413-L1647 HydrophobicContact CZ2-CD2 4.08Å |
| 1414 | S | 92.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.5 | -47 | 173.9 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | P1359 S1410 W1411 L1412 L1417 I1418 | P1359-S1414 WeakPolarHBondContact CG-OG 3.5Å; S1410-S1414 WeakPolarHBondContact O-CB 3.43Å; S1410-S1414 PolarHBondContact O-N 3.33Å; S1410-S1414 PolarHBondContact O-OG 3.29Å; W1411-S1414 WeakPolarHBondContact O-CB 3.43Å; W1411-S1414 PolarHBondContact O-N 3.49Å; L1412-S1414 VanDerWaalsContact C-N 3.31Å; L1412-S1414 PolarHBondContact O-N 3.2Å; S1414-L1417 PolarHBondContact O-N 3.2Å; S1414-I1418 VanDerWaalsContact O-CG1 3.25Å; S1414-I1418 WeakPolarHBondContact O-CG1 3.41Å; S1414-I1418 PolarHBondContact O-N 3.44Å |
| 1415 | L | 93.9 | Very high | 87.5 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 175.5 | 177.5 | 61 | 0 | 0 | 0 | 111.5 | W1411 L1412 L1417 I1418 L1419 L1436 V1440 C1651 | W1411-L1415 HydrophobicContact CE3-CB 4.49Å; W1411-L1415 HydrophobicContact CH2-CD2 4.02Å; W1411-L1415 HydrophobicContact CZ3-CB 4.28Å; W1411-L1415 HydrophobicContact CZ3-CD2 3.63Å; W1411-L1415 PolarHBondContact O-N 3.46Å; L1412-L1415 PolarHBondContact O-N 3.07Å; L1415-L1417 PolarHBondContact O-N 3.02Å; L1415-I1418 PolarHBondContact O-N 3.46Å; L1415-L1419 HydrophobicContact CD1-CD1 3.97Å; L1415-L1419 HydrophobicContact CD1-CG 3.91Å; L1415-L1419 HydrophobicContact CD2-CD1 4.43Å; L1415-L1419 HydrophobicContact CG-CD1 3.85Å; L1415-L1419 HydrophobicContact CG-CG 4.21Å; L1415-L1419 VanDerWaalsContact O-CB 3.32Å; L1415-L1419 WeakPolarHBondContact O-CB 3.4Å; L1415-L1419 VanDerWaalsContact O-CG 3.31Å; L1415-L1419 WeakPolarHBondContact O-CG 3.45Å; L1415-L1419 PolarHBondContact O-N 2.88Å; L1415-L1436 HydrophobicContact CD1-CB 4.02Å; L1415-L1436 HydrophobicContact CD1-CD1 4.01Å; L1415-L1436 HydrophobicContact CD2-CB 4.34Å; L1415-V1440 HydrophobicContact CD2-CG2 3.76Å; L1415-C1651 HydrophobicContact CD2-CB 4.39Å |
| 1416 | L | 92.2 | Very high | 87.4 | Confident | 23 Ų | 23 | 45.3 Ų | 45.3 | 12% | 0.12 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60 | -43.6 | 178.7 | -175.9 | 59.1 | 0 | 0 | 0 | 111.9 | L1412 W1413 L1419 Y1420 V1650 T1654 | L1412-L1416 WeakPolarHBondContact O-CB 3.31Å; L1412-L1416 PolarHBondContact O-N 3.37Å; W1413-L1416 HydrophobicContact CE3-CD2 4.04Å; W1413-L1416 HydrophobicContact CZ3-CD2 3.93Å; W1413-L1416 PolarHBondContact O-N 2.88Å; L1416-L1419 CarbonylContact O-C 3.58Å; L1416-L1419 PolarHBondContact O-N 2.95Å; L1416-Y1420 VanDerWaalsContact O-CB 3.27Å; L1416-Y1420 WeakPolarHBondContact O-CB 3.36Å; L1416-Y1420 PolarHBondContact O-N 3.37Å; L1416-V1650 HydrophobicContact CD1-CG1 3.97Å; L1416-V1650 HydrophobicContact CD2-CG1 4.16Å; L1416-T1654 HydrophobicContact CD1-CG2 4.33Å; L1416-T1654 WeakPolarHBondContact CD1-OG1 3.24Å |
| 1417 | L | 91.5 | Very high | 86.9 | Confident | 18 Ų | 18 | 46 Ų | 46 | 9% | 0.094 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.9 | -37 | 177.1 | -73.1 | 167.2 | 0 | 0 | 0 | 112.7 | P1359 L1362 D1363 W1413 S1414 L1415 Y1420 K1421 | P1359-L1417 HydrophobicContact CB-CD1 3.91Å; P1359-L1417 VanDerWaalsContact O-CD1 3.24Å; P1359-L1417 WeakPolarHBondContact O-CD1 3.38Å; L1362-L1417 HydrophobicContact CB-CB 4.19Å; L1362-L1417 HydrophobicContact CB-CD1 4.16Å; L1362-L1417 HydrophobicContact CD1-CB 4.5Å; D1363-L1417 HydrophobicContact CB-CD1 4.06Å; D1363-L1417 HydrophobicContact CB-CD2 4.14Å; W1413-L1417 WeakPolarHBondContact O-CB 3.35Å; W1413-L1417 WeakPolarHBondContact O-CG 3.3Å; W1413-L1417 PolarHBondContact O-N 2.8Å; S1414-L1417 PolarHBondContact O-N 3.2Å; L1415-L1417 PolarHBondContact O-N 3.02Å; L1417-Y1420 PolarHBondContact O-N 2.93Å; L1417-K1421 PolarHBondContact O-N 3.48Å |
| 1418 | I | 89.2 | Confident | 86.2 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.8 | -50.4 | 170.5 | -67.5 | 165.9 | 0 | 0 | 0 | 109.8 | L1362 L1373 L1380 S1414 L1415 Y1420 Y1422 R1658 | L1362-I1418 HydrophobicContact CD1-CD1 4.4Å; L1362-I1418 HydrophobicContact CD1-CG1 4.13Å; L1373-I1418 HydrophobicContact CD1-CD1 3.77Å; L1373-I1418 HydrophobicContact CD1-CG1 3.76Å; L1380-I1418 HydrophobicContact CD1-CD1 4Å; S1414-I1418 VanDerWaalsContact O-CG1 3.25Å; S1414-I1418 WeakPolarHBondContact O-CG1 3.41Å; S1414-I1418 PolarHBondContact O-N 3.44Å; L1415-I1418 PolarHBondContact O-N 3.46Å; I1418-Y1420 PolarHBondContact O-N 2.94Å; I1418-Y1422 PolarHBondContact O-N 3.03Å; I1418-R1658 PolarHBondContact O-NH1 2.64Å |
| 1419 | L | 90.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.5 | -20.1 | 178.6 | -73.5 | 179.2 | 0 | 0 | 0 | 113.7 | L1415 L1416 F1424 V1433 C1651 T1654 F1655 R1658 | L1415-L1419 HydrophobicContact CD1-CD1 3.97Å; L1415-L1419 HydrophobicContact CD1-CG 3.91Å; L1415-L1419 HydrophobicContact CD2-CD1 4.43Å; L1415-L1419 HydrophobicContact CG-CD1 3.85Å; L1415-L1419 HydrophobicContact CG-CG 4.21Å; L1415-L1419 VanDerWaalsContact O-CB 3.32Å; L1415-L1419 WeakPolarHBondContact O-CB 3.4Å; L1415-L1419 VanDerWaalsContact O-CG 3.31Å; L1415-L1419 WeakPolarHBondContact O-CG 3.45Å; L1415-L1419 PolarHBondContact O-N 2.88Å; L1416-L1419 CarbonylContact O-C 3.58Å; L1416-L1419 PolarHBondContact O-N 2.95Å; L1419-F1424 HydrophobicContact CD2-CD1 4.28Å; L1419-F1424 HydrophobicContact CD2-CE1 3.7Å; L1419-F1424 HydrophobicContact CD2-CZ 4.01Å; L1419-V1433 HydrophobicContact CD2-CG1 3.74Å; L1419-C1651 HydrophobicContact CD1-CB 4.32Å; L1419-T1654 HydrophobicContact CB-CG2 4.1Å; L1419-F1655 HydrophobicContact CD1-CB 4.25Å; L1419-F1655 HydrophobicContact CD2-CB 4.48Å; L1419-F1655 HydrophobicContact CD2-CD2 3.9Å; L1419-R1658 WeakPolarHBondContact O-CD 3.29Å; L1419-R1658 PolarHBondContact O-NH1 3.12Å |
| 1420 | Y | 87.6 | Confident | 85.4 | Confident | 166 Ų | 166 | 51.1 Ų | 51.1 | 65% | 0.651 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -96.2 | -49.2 | 177.6 | -172.4 | -114.3 | 0 | 0 | 0 | 113.3 | L1416 L1417 I1418 R1658 | L1416-Y1420 VanDerWaalsContact O-CB 3.27Å; L1416-Y1420 WeakPolarHBondContact O-CB 3.36Å; L1416-Y1420 PolarHBondContact O-N 3.37Å; L1417-Y1420 PolarHBondContact O-N 2.93Å; I1418-Y1420 PolarHBondContact O-N 2.94Å; Y1420-R1658 PolarHBondContact O-NH1 3.43Å |
| 1421 | K | 87 | Confident | 85.1 | Confident | 88 Ų | 88 | 56.1 Ų | 56.1 | 38% | 0.383 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -97.8 | -25.3 | -168.9 | -63.8 | -166 | -178.5 | -170.8 | 0 | 115.8 | D1363 L1417 | D1363-K1421 PolarHBondContact O-NZ 3.36Å; D1363-K1421 WeakPolarHBondContact OD1-CE 3.42Å; D1363-K1421 IonicContact OD1-NZ 3.26Å; D1363-K1421 PolarHBondContact OD1-NZ 3.13Å; L1417-K1421 PolarHBondContact O-N 3.48Å |
| 1422 | Y | 86.8 | Confident | 84.7 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 4% | 0.043 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -114.1 | 138.7 | -164.8 | -62.5 | -90.5 | 0 | 0 | 0 | 113 | L1362 V1366 A1369 R1370 L1373 I1418 F1424 R1658 | L1362-Y1422 HydrophobicContact CD2-CE2 4.39Å; L1362-Y1422 PolarHBondContact O-OH 3.49Å; V1366-Y1422 HydrophobicContact CG1-CE1 4.18Å; A1369-Y1422 HydrophobicContact CB-CE1 4.05Å; A1369-Y1422 WeakPolarHBondContact CB-OH 3.36Å; R1370-Y1422 HydrophobicContact CG-CD1 4.43Å; R1370-Y1422 HydrophobicContact CG-CE1 4.21Å; L1373-Y1422 HydrophobicContact CD2-CD1 4.28Å; L1373-Y1422 HydrophobicContact CD2-CG 4.41Å; I1418-Y1422 PolarHBondContact O-N 3.03Å; Y1422-F1424 WeakPolarHBondContact O-CD1 3.3Å; Y1422-R1658 VanDerWaalsContact C-NH2 3.26Å; Y1422-R1658 PolarHBondContact O-NH1 2.92Å; Y1422-R1658 PolarHBondContact O-NH2 3.4Å |
| 1423 | Q | 83.1 | Confident | 84.4 | Confident | 157 Ų | 157 | 57.5 Ų | 57.5 | 73% | 0.734 | 28% | 0.278 | S | S | * | . | trans | -70.9 | 134.6 | 177.8 | -73.2 | 172.7 | -23.1 | 0 | 0 | 110.4 | ||||
| 1424 | F | 82 | Confident | 84.3 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.035 | 26% | 0.264 | C | S | . | . | trans | -137.1 | 8.7 | -174.4 | 56.1 | -114.2 | 0 | 0 | 0 | 113.9 | L1419 Y1422 Q1426 I1429 N1430 V1433 R1658 D1659 M1662 | L1419-F1424 HydrophobicContact CD2-CD1 4.28Å; L1419-F1424 HydrophobicContact CD2-CE1 3.7Å; L1419-F1424 HydrophobicContact CD2-CZ 4.01Å; Y1422-F1424 WeakPolarHBondContact O-CD1 3.3Å; F1424-Q1426 VanDerWaalsContact C-N 3.29Å; F1424-Q1426 PolarHBondContact O-N 3.29Å; F1424-I1429 HydrophobicContact CB-CG2 3.64Å; F1424-N1430 WeakPolarHBondContact O-CA 3.44Å; F1424-N1430 WeakPolarHBondContact O-CB 3.29Å; F1424-N1430 PolarHBondContact O-N 3.15Å; F1424-V1433 HydrophobicContact CB-CG2 3.93Å; F1424-V1433 HydrophobicContact CG-CG2 4.28Å; F1424-R1658 HydrophobicContact CE1-CG 4.46Å; F1424-R1658 VanDerWaalsContact CE1-NH1 3.33Å; F1424-R1658 HydrophobicContact CZ-CB 4.3Å; F1424-R1658 HydrophobicContact CZ-CG 4.13Å; F1424-D1659 HydrophobicContact CE2-CB 3.99Å; F1424-D1659 HydrophobicContact CZ-CB 4.5Å; F1424-M1662 HydrophobicContact CD2-CE 3.57Å; F1424-M1662 HydrophobicContact CE2-CE 3.43Å; F1424-M1662 VanDerWaalsContact CE2-CE 3.43Å | ||
| 1425 | D | 75.3 | Confident | 84 | Confident | 77 Ų | 77 | 55.5 Ų | 55.5 | 41% | 0.412 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -68.5 | -24.7 | -177.7 | 58.1 | -58 | 0 | 0 | 0 | 113.4 | ||
| 1426 | Q | 75.8 | Confident | 83.9 | Confident | 124 Ų | 124 | 55.6 Ų | 55.6 | 58% | 0.579 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -94.9 | 139 | -178.8 | -56.9 | -58.5 | -47.8 | 0 | 0 | 112.3 | F1424 I1429 N1430 | F1424-Q1426 VanDerWaalsContact C-N 3.29Å; F1424-Q1426 PolarHBondContact O-N 3.29Å; Q1426-I1429 PolarHBondContact O-N 3.3Å; Q1426-I1429 VanDerWaalsContact O-N 3.15Å; Q1426-N1430 PolarHBondContact O-N 3.13Å |
| 1427 | P | 68.8 | Low | 83.7 | Confident | 82 Ų | 82 | 54.5 Ų | 54.5 | 53% | 0.532 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 148.9 | 171.2 | 28.8 | -34.4 | 0 | 0 | 0 | 111 | ||
| 1428 | P | 69 | Low | 83.5 | Confident | 77 Ų | 77 | 56 Ų | 56 | 50% | 0.5 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -88.6 | 5.1 | 5.9 | 37 | -37.4 | 0 | 0 | 0 | 114.3 | N1430 T1432 | P1428-N1430 VanDerWaalsContact C-N 3.33Å; P1428-N1430 PolarHBondContact O-N 3.49Å; P1428-T1432 PolarHBondContact O-N 3.22Å; P1428-T1432 PolarHBondContact O-OG1 3.44Å |
| 1429 | I | 79 | Confident | 83.5 | Confident | 61 Ų | 61 | 56.2 Ų | 56.2 | 31% | 0.313 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.1 | -38.7 | -177 | -54.2 | 179.9 | 0 | 0 | 0 | 109.8 | F1424 Q1426 E1431 T1432 V1433 | F1424-I1429 HydrophobicContact CB-CG2 3.64Å; Q1426-I1429 PolarHBondContact O-N 3.3Å; Q1426-I1429 VanDerWaalsContact O-N 3.15Å; I1429-E1431 PolarHBondContact O-N 2.91Å; I1429-T1432 PolarHBondContact O-N 3.15Å; I1429-V1433 HydrophobicContact CG2-CG2 4.21Å; I1429-V1433 WeakPolarHBondContact O-CG2 3.42Å; I1429-V1433 PolarHBondContact O-N 2.93Å |
| 1430 | N | 81.2 | Confident | 83.5 | Confident | 40 Ų | 40 | 56.3 Ų | 56.3 | 21% | 0.214 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 179.6 | 88.3 | -22.6 | 0 | 0 | 0 | 113.2 | F1424 Q1426 P1428 T1432 V1433 L1434 M1662 | F1424-N1430 WeakPolarHBondContact O-CA 3.44Å; F1424-N1430 WeakPolarHBondContact O-CB 3.29Å; F1424-N1430 PolarHBondContact O-N 3.15Å; Q1426-N1430 PolarHBondContact O-N 3.13Å; P1428-N1430 VanDerWaalsContact C-N 3.33Å; P1428-N1430 PolarHBondContact O-N 3.49Å; N1430-T1432 PolarHBondContact O-N 3.34Å; N1430-V1433 PolarHBondContact O-N 3.11Å; N1430-L1434 WeakPolarHBondContact O-CB 3.37Å; N1430-L1434 WeakPolarHBondContact O-CG 3.26Å; N1430-L1434 PolarHBondContact O-N 2.74Å; N1430-M1662 HydrophobicContact CB-SD 3.94Å |
| 1431 | E | 83.5 | Confident | 83.5 | Confident | 116 Ų | 116 | 48.4 Ų | 48.4 | 54% | 0.542 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.6 | -37.5 | 176.2 | -62.8 | -174.1 | 173.6 | 0 | 0 | 111.7 | I1429 S1435 | I1429-E1431 PolarHBondContact O-N 2.91Å; E1431-S1435 WeakPolarHBondContact O-CB 3.32Å; E1431-S1435 PolarHBondContact O-N 3.19Å; E1431-S1435 PolarHBondContact O-OG 3.19Å |
| 1432 | T | 85.4 | Confident | 83.3 | Confident | 30 Ų | 30 | 45.4 Ų | 45.4 | 18% | 0.184 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.8 | -46.9 | 178.3 | -47.7 | 0 | 0 | 0 | 0 | 110.6 | P1428 I1429 N1430 L1434 S1435 L1436 | P1428-T1432 PolarHBondContact O-N 3.22Å; P1428-T1432 PolarHBondContact O-OG1 3.44Å; I1429-T1432 PolarHBondContact O-N 3.15Å; N1430-T1432 PolarHBondContact O-N 3.34Å; T1432-L1434 PolarHBondContact O-N 3.45Å; T1432-S1435 WeakPolarHBondContact O-CB 3.46Å; T1432-S1435 PolarHBondContact O-N 3.08Å; T1432-L1436 HydrophobicContact CG2-CD1 4.41Å; T1432-L1436 VanDerWaalsContact O-CG 3.29Å; T1432-L1436 WeakPolarHBondContact O-CG 3.1Å; T1432-L1436 PolarHBondContact O-N 3.2Å |
| 1433 | V | 87.1 | Confident | 83.3 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.8 | -42.8 | 177 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | L1419 F1424 I1429 N1430 S1435 L1436 V1437 F1655 | L1419-V1433 HydrophobicContact CD2-CG1 3.74Å; F1424-V1433 HydrophobicContact CB-CG2 3.93Å; F1424-V1433 HydrophobicContact CG-CG2 4.28Å; I1429-V1433 HydrophobicContact CG2-CG2 4.21Å; I1429-V1433 WeakPolarHBondContact O-CG2 3.42Å; I1429-V1433 PolarHBondContact O-N 2.93Å; N1430-V1433 PolarHBondContact O-N 3.11Å; V1433-S1435 VanDerWaalsContact C-N 3.33Å; V1433-S1435 PolarHBondContact O-N 2.93Å; V1433-L1436 PolarHBondContact O-N 2.91Å; V1433-V1437 HydrophobicContact CG1-CG2 4.43Å; V1433-V1437 WeakPolarHBondContact O-CG2 3.21Å; V1433-V1437 PolarHBondContact O-N 3.31Å; V1433-F1655 HydrophobicContact CG1-CD2 4.22Å; V1433-F1655 HydrophobicContact CG1-CE2 3.93Å |
| 1434 | L | 88.3 | Confident | 83.4 | Confident | 35 Ų | 35 | 38 Ų | 38 | 18% | 0.183 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.1 | -44.9 | 173.9 | -75.1 | 172.4 | 0 | 0 | 0 | 111.9 | N1430 T1432 L1436 V1437 D1438 F1655 M1662 Y1666 | N1430-L1434 WeakPolarHBondContact O-CB 3.37Å; N1430-L1434 WeakPolarHBondContact O-CG 3.26Å; N1430-L1434 PolarHBondContact O-N 2.74Å; T1432-L1434 PolarHBondContact O-N 3.45Å; L1434-L1436 VanDerWaalsContact C-N 3.34Å; L1434-L1436 PolarHBondContact O-N 2.95Å; L1434-V1437 PolarHBondContact O-N 2.67Å; L1434-D1438 PolarHBondContact O-N 3.35Å; L1434-F1655 HydrophobicContact CD2-CZ 3.9Å; L1434-M1662 HydrophobicContact CD1-CG 4.35Å; L1434-M1662 HydrophobicContact CD1-SD 4.1Å; L1434-M1662 HydrophobicContact CD2-CG 3.81Å; L1434-M1662 HydrophobicContact CD2-SD 4.06Å; L1434-M1662 HydrophobicContact CG-CG 4.27Å; L1434-M1662 HydrophobicContact CG-SD 3.91Å; L1434-Y1666 HydrophobicContact CD2-CD2 4.17Å; L1434-Y1666 HydrophobicContact CD2-CE2 3.68Å |
| 1435 | S | 87.6 | Confident | 83.3 | Confident | 48 Ų | 48 | 38.4 Ų | 38.4 | 34% | 0.336 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.9 | -38.1 | 176.6 | -55.7 | 0 | 0 | 0 | 0 | 112.5 | E1431 T1432 V1433 D1438 I1439 | E1431-S1435 WeakPolarHBondContact O-CB 3.32Å; E1431-S1435 PolarHBondContact O-N 3.19Å; E1431-S1435 PolarHBondContact O-OG 3.19Å; T1432-S1435 WeakPolarHBondContact O-CB 3.46Å; T1432-S1435 PolarHBondContact O-N 3.08Å; V1433-S1435 VanDerWaalsContact C-N 3.33Å; V1433-S1435 PolarHBondContact O-N 2.93Å; S1435-D1438 PolarHBondContact O-N 3.42Å; S1435-I1439 WeakPolarHBondContact O-CG1 3.45Å; S1435-I1439 PolarHBondContact O-N 2.72Å |
| 1436 | L | 90.4 | Very high | 83.4 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.3 | -38.3 | 174.8 | -62.7 | 170.6 | 0 | 0 | 0 | 111.5 | L1380 L1381 W1411 L1415 T1432 V1433 L1434 I1439 V1440 | L1380-L1436 HydrophobicContact CB-CD2 3.84Å; L1381-L1436 HydrophobicContact CB-CD2 4.44Å; W1411-L1436 HydrophobicContact CH2-CB 4.05Å; W1411-L1436 HydrophobicContact CH2-CD2 4Å; W1411-L1436 HydrophobicContact CZ2-CB 4.35Å; W1411-L1436 HydrophobicContact CZ2-CD2 3.41Å; W1411-L1436 VanDerWaalsContact CZ2-CD2 3.41Å; W1411-L1436 HydrophobicContact CZ2-CG 4.44Å; L1415-L1436 HydrophobicContact CD1-CB 4.02Å; L1415-L1436 HydrophobicContact CD1-CD1 4.01Å; L1415-L1436 HydrophobicContact CD2-CB 4.34Å; T1432-L1436 HydrophobicContact CG2-CD1 4.41Å; T1432-L1436 VanDerWaalsContact O-CG 3.29Å; T1432-L1436 WeakPolarHBondContact O-CG 3.1Å; T1432-L1436 PolarHBondContact O-N 3.2Å; V1433-L1436 PolarHBondContact O-N 2.91Å; L1434-L1436 VanDerWaalsContact C-N 3.34Å; L1434-L1436 PolarHBondContact O-N 2.95Å; L1436-I1439 PolarHBondContact O-N 3.43Å; L1436-V1440 PolarHBondContact O-N 3.21Å; L1436-V1440 VanDerWaalsContact O-N 3.14Å |
| 1437 | V | 89 | Confident | 83.4 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.1 | -40.5 | 175.1 | 168.5 | 0 | 0 | 0 | 0 | 111.3 | V1433 L1434 I1439 V1440 I1441 L1652 F1655 | V1433-V1437 HydrophobicContact CG1-CG2 4.43Å; V1433-V1437 WeakPolarHBondContact O-CG2 3.21Å; V1433-V1437 PolarHBondContact O-N 3.31Å; L1434-V1437 PolarHBondContact O-N 2.67Å; V1437-I1439 VanDerWaalsContact C-N 3.3Å; V1437-I1439 PolarHBondContact O-N 3.28Å; V1437-V1440 PolarHBondContact O-N 3.49Å; V1437-V1440 VanDerWaalsContact O-N 3.16Å; V1437-I1441 HydrophobicContact CG1-CD1 3.9Å; V1437-I1441 HydrophobicContact CG1-CG1 4.41Å; V1437-I1441 WeakPolarHBondContact O-CG1 3.47Å; V1437-I1441 PolarHBondContact O-N 3.03Å; V1437-L1652 HydrophobicContact CG1-CD2 3.94Å; V1437-F1655 HydrophobicContact CG1-CD1 4.21Å; V1437-F1655 HydrophobicContact CG1-CE1 4.17Å; V1437-F1655 HydrophobicContact CG2-CD1 4.19Å; V1437-F1655 HydrophobicContact CG2-CD2 3.95Å; V1437-F1655 HydrophobicContact CG2-CE1 4.34Å; V1437-F1655 HydrophobicContact CG2-CE2 4.1Å; V1437-F1655 HydrophobicContact CG2-CG 4Å; V1437-F1655 HydrophobicContact CG2-CZ 4.31Å |
| 1438 | D | 87.4 | Confident | 83.4 | Confident | 49 Ų | 49 | 28.9 Ų | 28.9 | 26% | 0.262 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.8 | -34.3 | 174.8 | -97.7 | -43.9 | 0 | 0 | 0 | 112.7 | L1434 S1435 I1441 G1442 Y1666 K1669 | L1434-D1438 PolarHBondContact O-N 3.35Å; S1435-D1438 PolarHBondContact O-N 3.42Å; D1438-I1441 PolarHBondContact O-N 3.38Å; D1438-G1442 PolarHBondContact O-N 3.22Å; D1438-Y1666 WeakPolarHBondContact OD1-CE1 3.21Å; D1438-Y1666 VanDerWaalsContact OD2-CE1 3.23Å; D1438-Y1666 WeakPolarHBondContact OD2-CE1 3.36Å; D1438-Y1666 PolarHBondContact OD2-OH 3.47Å; D1438-Y1666 VanDerWaalsContact OD2-OH 3.11Å; D1438-K1669 IonicContact OD1-NZ 3.87Å; D1438-K1669 PolarHBondContact OD1-NZ 3.47Å |
| 1439 | I | 88.9 | Confident | 83 | Confident | 5 Ų | 5 | 28.1 Ų | 28.1 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.5 | -40.8 | 172.4 | -67.7 | 164.7 | 0 | 0 | 0 | 111.4 | L1381 P1384 L1400 W1411 S1435 L1436 V1437 G1442 T1443 | L1381-I1439 HydrophobicContact CD1-CD1 4.18Å; P1384-I1439 HydrophobicContact CB-CD1 4.49Å; P1384-I1439 HydrophobicContact CB-CG2 4.46Å; P1384-I1439 HydrophobicContact CG-CD1 4.34Å; P1384-I1439 HydrophobicContact CG-CG2 4.48Å; L1400-I1439 HydrophobicContact CD2-CG2 3.61Å; L1400-I1439 HydrophobicContact CG-CG2 3.91Å; W1411-I1439 HydrophobicContact CH2-CB 4.3Å; W1411-I1439 HydrophobicContact CH2-CG2 4.11Å; W1411-I1439 HydrophobicContact CZ2-CB 4.46Å; W1411-I1439 HydrophobicContact CZ2-CD1 4.38Å; W1411-I1439 HydrophobicContact CZ2-CG2 4.12Å; S1435-I1439 WeakPolarHBondContact O-CG1 3.45Å; S1435-I1439 PolarHBondContact O-N 2.72Å; L1436-I1439 PolarHBondContact O-N 3.43Å; V1437-I1439 VanDerWaalsContact C-N 3.3Å; V1437-I1439 PolarHBondContact O-N 3.28Å; I1439-G1442 PolarHBondContact O-N 3.14Å; I1439-T1443 WeakPolarHBondContact O-CB 3.23Å; I1439-T1443 PolarHBondContact O-N 3.05Å; I1439-T1443 PolarHBondContact O-OG1 2.72Å |
| 1440 | V | 90.2 | Very high | 81.7 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.4 | -46.4 | 174.3 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | W1411 L1412 L1415 L1436 V1437 G1442 T1443 L1444 L1652 | W1411-V1440 HydrophobicContact CH2-CG2 4.09Å; W1411-V1440 HydrophobicContact CZ3-CG2 3.73Å; L1412-V1440 HydrophobicContact CD2-CG2 4.04Å; L1415-V1440 HydrophobicContact CD2-CG2 3.76Å; L1436-V1440 PolarHBondContact O-N 3.21Å; L1436-V1440 VanDerWaalsContact O-N 3.14Å; V1437-V1440 PolarHBondContact O-N 3.49Å; V1437-V1440 VanDerWaalsContact O-N 3.16Å; V1440-G1442 VanDerWaalsContact C-N 3.32Å; V1440-G1442 PolarHBondContact O-N 3.07Å; V1440-T1443 PolarHBondContact O-N 2.8Å; V1440-L1444 HydrophobicContact CG1-CD1 4.01Å; V1440-L1444 HydrophobicContact CG1-CG 4.37Å; V1440-L1444 WeakPolarHBondContact O-CG 3.41Å; V1440-L1444 PolarHBondContact O-N 3.04Å; V1440-L1652 HydrophobicContact CB-CD2 4.31Å; V1440-L1652 HydrophobicContact CG1-CD2 3.9Å; V1440-L1652 HydrophobicContact CG1-CG 4.02Å |
| 1441 | I | 86.8 | Confident | 79.8 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.4 | -42.5 | 176.3 | -65.6 | 168.6 | 0 | 0 | 0 | 110.5 | V1437 D1438 N1445 L1652 Y1666 K1669 M1670 | V1437-I1441 HydrophobicContact CG1-CD1 3.9Å; V1437-I1441 HydrophobicContact CG1-CG1 4.41Å; V1437-I1441 WeakPolarHBondContact O-CG1 3.47Å; V1437-I1441 PolarHBondContact O-N 3.03Å; D1438-I1441 PolarHBondContact O-N 3.38Å; I1441-N1445 WeakPolarHBondContact CG2-ND2 3.5Å; I1441-N1445 WeakPolarHBondContact O-CB 3.43Å; I1441-N1445 PolarHBondContact O-N 3.01Å; I1441-N1445 PolarHBondContact O-ND2 3.29Å; I1441-L1652 HydrophobicContact CG1-CD1 4.29Å; I1441-L1652 HydrophobicContact CG1-CD2 4.02Å; I1441-Y1666 HydrophobicContact CD1-CD1 4.25Å; I1441-K1669 HydrophobicContact CD1-CD 4.38Å; I1441-K1669 HydrophobicContact CG2-CD 4.05Å; I1441-K1669 HydrophobicContact CG2-CG 4.02Å; I1441-M1670 HydrophobicContact CD1-CG 3.59Å; I1441-M1670 HydrophobicContact CD1-SD 4.41Å; I1441-M1670 HydrophobicContact CG1-CG 4.04Å |
| 1442 | G | 83.8 | Confident | 77.4 | Confident | 25 Ų | 25 | 38 Ų | 38 | 26% | 0.258 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.7 | -48.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D1438 I1439 V1440 N1445 S1446 | D1438-G1442 PolarHBondContact O-N 3.22Å; I1439-G1442 PolarHBondContact O-N 3.14Å; V1440-G1442 VanDerWaalsContact C-N 3.32Å; V1440-G1442 PolarHBondContact O-N 3.07Å; G1442-N1445 WeakPolarHBondContact O-CB 3.33Å; G1442-N1445 PolarHBondContact O-N 2.74Å; G1442-S1446 PolarHBondContact O-N 2.69Å; G1442-S1446 VanDerWaalsContact O-N 3.13Å |
| 1443 | T | 86.5 | Confident | 75 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.043 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.1 | -40.6 | -179.4 | -52.2 | 0 | 0 | 0 | 0 | 112.5 | L1400 I1439 V1440 N1445 S1446 Q1447 | L1400-T1443 HydrophobicContact CB-CG2 4.05Å; L1400-T1443 HydrophobicContact CG-CG2 4.41Å; L1400-T1443 PolarHBondContact N-OG1 3.47Å; I1439-T1443 WeakPolarHBondContact O-CB 3.23Å; I1439-T1443 PolarHBondContact O-N 3.05Å; I1439-T1443 PolarHBondContact O-OG1 2.72Å; V1440-T1443 PolarHBondContact O-N 2.8Å; T1443-N1445 VanDerWaalsContact C-N 3.33Å; T1443-S1446 PolarHBondContact O-N 3.09Å; T1443-S1446 PolarHBondContact O-OG 3.02Å; T1443-Q1447 WeakPolarHBondContact O-CG 3.33Å; T1443-Q1447 PolarHBondContact O-NE2 3.3Å |
| 1444 | L | 84.8 | Confident | 72.3 | Confident | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.5 | -31.6 | 174.9 | -68.4 | 177.7 | 0 | 0 | 0 | 112 | V1440 I1645 I1649 L1652 T1673 L1677 | V1440-L1444 HydrophobicContact CG1-CD1 4.01Å; V1440-L1444 HydrophobicContact CG1-CG 4.37Å; V1440-L1444 WeakPolarHBondContact O-CG 3.41Å; V1440-L1444 PolarHBondContact O-N 3.04Å; L1444-I1645 HydrophobicContact CD2-CB 4.45Å; L1444-I1645 HydrophobicContact CD2-CG2 3.93Å; L1444-I1649 HydrophobicContact CD1-CG1 4.25Å; L1444-I1649 HydrophobicContact CD2-CG1 4.42Å; L1444-L1652 HydrophobicContact CD1-CD1 3.71Å; L1444-L1652 HydrophobicContact CD1-CG 4.43Å; L1444-T1673 HydrophobicContact CB-CG2 3.63Å; L1444-L1677 HydrophobicContact CB-CD1 4.11Å; L1444-L1677 HydrophobicContact CD2-CD1 3.92Å; L1444-L1677 HydrophobicContact CG-CD1 4.43Å |
| 1445 | N | 80.6 | Confident | 69.4 | Low | 16 Ų | 16 | 46.7 Ų | 46.7 | 9% | 0.086 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.2 | -27.6 | 175.9 | -90.4 | -79 | 0 | 0 | 0 | 113.9 | I1441 G1442 T1443 Q1447 R1450 T1673 R1676 | I1441-N1445 WeakPolarHBondContact CG2-ND2 3.5Å; I1441-N1445 WeakPolarHBondContact O-CB 3.43Å; I1441-N1445 PolarHBondContact O-N 3.01Å; I1441-N1445 PolarHBondContact O-ND2 3.29Å; G1442-N1445 WeakPolarHBondContact O-CB 3.33Å; G1442-N1445 PolarHBondContact O-N 2.74Å; T1443-N1445 VanDerWaalsContact C-N 3.33Å; N1445-Q1447 VanDerWaalsContact C-N 3.28Å; N1445-R1450 PolarHBondContact OD1-NH2 3.18Å; N1445-T1673 HydrophobicContact CB-CG2 4.48Å; N1445-T1673 VanDerWaalsContact ND2-CG2 3.34Å; N1445-T1673 WeakPolarHBondContact ND2-CG2 3.42Å; N1445-T1673 PolarHBondContact ND2-OG1 2.95Å; N1445-R1676 PolarHBondContact OD1-NH1 2.73Å |
| 1446 | S | 77.8 | Confident | 66.6 | Low | 33 Ų | 33 | 49.1 Ų | 49.1 | 23% | 0.231 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -75.7 | -16.9 | 179.6 | 61 | 0 | 0 | 0 | 0 | 113.6 | G1442 T1443 V1448 E1638 | G1442-S1446 PolarHBondContact O-N 2.69Å; G1442-S1446 VanDerWaalsContact O-N 3.13Å; T1443-S1446 PolarHBondContact O-N 3.09Å; T1443-S1446 PolarHBondContact O-OG 3.02Å; S1446-V1448 VanDerWaalsContact C-N 3.33Å; S1446-V1448 PolarHBondContact O-N 2.91Å; S1446-E1638 WeakPolarHBondContact CB-OE2 3.41Å; S1446-E1638 PolarHBondContact OG-OE2 2.92Å |
| 1447 | Q | 75.3 | Confident | 63.5 | Low | 23 Ų | 23 | 53.3 Ų | 53.3 | 11% | 0.107 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -23.2 | 179 | -54.4 | -48.3 | -65.5 | 0 | 0 | 113.9 | T1443 N1445 E1638 C1640 I1645 L1677 | T1443-Q1447 WeakPolarHBondContact O-CG 3.33Å; T1443-Q1447 PolarHBondContact O-NE2 3.3Å; N1445-Q1447 VanDerWaalsContact C-N 3.28Å; Q1447-E1638 VanDerWaalsContact CD-O 3.27Å; Q1447-E1638 PolarHBondContact NE2-O 3.07Å; Q1447-E1638 PolarHBondContact OE1-O 3.46Å; Q1447-E1638 VanDerWaalsContact OE1-O 3.09Å; Q1447-C1640 PolarHBondContact NE2-SG 3.09Å; Q1447-C1640 VanDerWaalsContact NE2-SG 3.41Å; Q1447-I1645 HydrophobicContact CG-CD1 4.03Å; Q1447-I1645 HydrophobicContact CG-CG1 4.18Å; Q1447-L1677 HydrophobicContact CB-CD2 3.98Å |
| 1448 | V | 68.8 | Low | 60.3 | Low | 27 Ų | 27 | 57.8 Ų | 57.8 | 16% | 0.164 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -115.8 | 124.3 | -176.7 | -174.3 | 0 | 0 | 0 | 0 | 110.5 | S1446 R1450 R1676 L1677 H1680 | S1446-V1448 VanDerWaalsContact C-N 3.33Å; S1446-V1448 PolarHBondContact O-N 2.91Å; V1448-R1450 PolarHBondContact O-N 3.22Å; V1448-R1676 HydrophobicContact CB-CB 4.29Å; V1448-R1676 HydrophobicContact CG1-CB 4.19Å; V1448-R1676 HydrophobicContact CG2-CB 4.08Å; V1448-L1677 HydrophobicContact CG2-CD2 3.72Å; V1448-L1677 HydrophobicContact CG2-CG 4.36Å; V1448-H1680 HydrophobicContact CG2-CB 4.31Å |
| 1449 | H | 60 | Low | 57.4 | Low | 61 Ų | 61 | 64.8 Ų | 64.8 | 28% | 0.282 | 38% | 0.383 | S | S | . | . | trans | -65.6 | 115.9 | -172.7 | -163.5 | -86.5 | 0 | 0 | 0 | 112.8 | Y1451 C1630 C1633 | H1449-Y1451 AromaticContact ND1-CD2 4Å; H1449-Y1451 PolarHBondContact O-N 3.37Å; H1449-Y1451 VanDerWaalsContact O-N 3.09Å; H1449-C1630 VanDerWaalsContact NE2-CB 3.32Å; H1449-C1630 WeakPolarHBondContact NE2-CB 3.36Å; H1449-C1630 PolarHBondContact NE2-SG 3.05Å; H1449-C1633 PolarHBondContact CE1-SG 3.21Å; H1449-C1633 PolarHBondContact NE2-SG 3.29Å | ||
| 1450 | R | 51.6 | Low | 54.4 | Low | 170 Ų | 170 | 69.1 Ų | 69.1 | 64% | 0.642 | 41% | 0.414 | S | S | * | . | trans | -74.2 | 99.1 | 173.2 | -68.2 | -170.7 | -174.9 | 116.9 | -0.9 | 110.7 | N1445 V1448 S1452 | N1445-R1450 PolarHBondContact OD1-NH2 3.18Å; V1448-R1450 PolarHBondContact O-N 3.22Å; R1450-S1452 VanDerWaalsContact C-N 3.27Å; R1450-S1452 PolarHBondContact O-N 2.98Å | ||
| 1451 | Y | 41.5 | Very low | 51.2 | Low | 180 Ų | 180 | 75.2 Ų | 75.2 | 71% | 0.706 | 45% | 0.446 | S | S | * | . | trans | -72.2 | 83.6 | 161.1 | -113.8 | -82.7 | 0 | 0 | 0 | 109.6 | H1449 N1632 | H1449-Y1451 AromaticContact ND1-CD2 4Å; H1449-Y1451 PolarHBondContact O-N 3.37Å; H1449-Y1451 VanDerWaalsContact O-N 3.09Å; Y1451-N1632 PolarHBondContact OH-ND2 3.23Å | ||
| 1452 | S | 34.3 | Very low | 48.2 | Very low | 73 Ų | 73 | 80.5 Ų | 80.5 | 51% | 0.51 | 48% | 0.483 | S | S | . | . | trans | -91.9 | 112.7 | 167.6 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | R1450 A1454 A1455 | R1450-S1452 VanDerWaalsContact C-N 3.27Å; R1450-S1452 PolarHBondContact O-N 2.98Å; S1452-A1454 PolarHBondContact O-N 3.4Å; S1452-A1454 VanDerWaalsContact O-N 3.09Å; S1452-A1454 PolarHBondContact OG-N 3.32Å; S1452-A1455 PolarHBondContact O-N 2.96Å | ||
| 1453 | S | 33.9 | Very low | 45.6 | Very low | 112 Ų | 112 | 85.1 Ų | 85.1 | 78% | 0.783 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -61.2 | -14 | 173.5 | -169.9 | 0 | 0 | 0 | 0 | 113.1 | A1455 | S1453-A1455 VanDerWaalsContact C-N 3.26Å; S1453-A1455 PolarHBondContact O-N 3.34Å |
| 1454 | A | 30.8 | Very low | 42.6 | Very low | 59 Ų | 59 | 92.7 Ų | 92.7 | 49% | 0.488 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -71.6 | -17 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S1452 A1456 S1457 | S1452-A1454 PolarHBondContact O-N 3.4Å; S1452-A1454 VanDerWaalsContact O-N 3.09Å; S1452-A1454 PolarHBondContact OG-N 3.32Å; A1454-A1456 PolarHBondContact O-N 2.94Å; A1454-S1457 PolarHBondContact O-N 3.39Å; A1454-S1457 PolarHBondContact O-OG 3.47Å |
| 1455 | A | 28.1 | Very low | 39.7 | Very low | 81 Ų | 81 | 103 Ų | 103 | 67% | 0.669 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -68 | -17.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1452 S1453 | S1452-A1455 PolarHBondContact O-N 2.96Å; S1453-A1455 VanDerWaalsContact C-N 3.26Å; S1453-A1455 PolarHBondContact O-N 3.34Å |
| 1456 | A | 28.1 | Very low | 37 | Very low | 99 Ų | 99 | 111.3 Ų | 111.3 | 82% | 0.818 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -84.9 | -2.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | A1454 | A1454-A1456 PolarHBondContact O-N 2.94Š|
| 1457 | S | 25.8 | Very low | 34.5 | Very low | 89 Ų | 89 | 119.1 Ų | 119.1 | 62% | 0.622 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -126.7 | 15.9 | -177.3 | 64.5 | 0 | 0 | 0 | 0 | 114.1 | A1454 | A1454-S1457 PolarHBondContact O-N 3.39Å; A1454-S1457 PolarHBondContact O-OG 3.47Å |
| 1458 | C | 22.2 | Very low | 32.1 | Very low | 96 Ų | 96 | 124.7 Ų | 124.7 | 65% | 0.649 | 68% | 0.681 | S | S | * | * | trans | -113.6 | 41.5 | -170.7 | -155.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1459 | E | 26.1 | Very low | 30 | Very low | 195 Ų | 195 | 131.2 Ų | 131.2 | 91% | 0.911 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -106.8 | 9.7 | 169.1 | -77.2 | -166.3 | 151.1 | 0 | 0 | 113.6 | ||
| 1460 | S | 25.4 | Very low | 28.3 | Very low | 97 Ų | 97 | 137 Ų | 137 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -138.8 | 23.9 | -174 | 73.5 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1461 | L | 23.2 | Very low | 27.1 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 68% | 0.675 | 75% | 0.752 | S | S | * | * | trans | -133.6 | 20.9 | 178.6 | -76 | 174 | 0 | 0 | 0 | 114.1 | T1463 | L1461-T1463 PolarHBondContact O-N 3.23Š| ||
| 1462 | S | 24.2 | Very low | 26.3 | Very low | 112 Ų | 112 | 133.2 Ų | 133.2 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -93.5 | 24.1 | -177.6 | 60.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1463 | T | 27.5 | Very low | 25.8 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -139.1 | 13.3 | -173.5 | 52 | 0 | 0 | 0 | 0 | 116.3 | L1461 | L1461-T1463 PolarHBondContact O-N 3.23Š|
| 1464 | E | 25 | Very low | 25.4 | Very low | 165 Ų | 165 | 136.1 Ų | 136.1 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -127.3 | 13.9 | -179.5 | -73.5 | -167.9 | 153.4 | 0 | 0 | 115.6 | ||
| 1465 | W | 22.6 | Very low | 25 | Very low | 222 Ų | 222 | 138.4 Ų | 138.4 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -118.9 | 12.6 | 179.2 | -77.9 | 92.7 | 0 | 0 | 0 | 115.6 | ||
| 1466 | E | 25.4 | Very low | 24.8 | Very low | 191 Ų | 191 | 139.6 Ų | 139.6 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -88.9 | -9.9 | 175.3 | -69.4 | -166.7 | 141.9 | 0 | 0 | 114.6 | ||
| 1467 | E | 25.6 | Very low | 24.7 | Very low | 197 Ų | 197 | 142.3 Ų | 142.3 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 28.6 | -171.7 | -74.2 | -160.6 | 152.7 | 0 | 0 | 116.5 | ||
| 1468 | L | 24.3 | Very low | 24.5 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.4 | 10.9 | -179.4 | -107.7 | 149.5 | 0 | 0 | 0 | 116.8 | ||
| 1469 | N | 23.9 | Very low | 24.6 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | trans | -116 | 39.7 | 177.2 | -82.3 | -27.4 | 0 | 0 | 0 | 114 | ||||
| 1470 | E | 25.1 | Very low | 24.4 | Very low | 182 Ų | 182 | 145.4 Ų | 145.4 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -125.5 | 90.6 | 162.2 | -71.6 | -159.8 | 168.1 | 0 | 0 | 111.6 | ||||
| 1471 | I | 25.4 | Very low | 24.3 | Very low | 165 Ų | 165 | 149.7 Ų | 149.7 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -114 | 105.6 | 158.5 | -60.8 | -178.1 | 0 | 0 | 0 | 107.4 | ||||
| 1472 | P | 25.9 | Very low | 24.4 | Very low | 105 Ų | 105 | 151.5 Ų | 151.5 | 68% | 0.682 | 81% | 0.813 | S | S | * | * | trans | -67.5 | 145 | -174.6 | -21.9 | 33.2 | 0 | 0 | 0 | 113.5 | S1474 | P1472-S1474 PolarHBondContact O-N 3.03Š| ||
| 1473 | T | 24.1 | Very low | 24.4 | Very low | 148 Ų | 148 | 149.9 Ų | 149.9 | 91% | 0.908 | 82% | 0.815 | S | S | * | * | trans | -70 | 109.7 | 169.6 | 51.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1474 | S | 24.1 | Very low | 24.3 | Very low | 99 Ų | 99 | 149.5 Ų | 149.5 | 69% | 0.692 | 82% | 0.817 | S | S | * | * | trans | -137.9 | 113.9 | 164.9 | 53.3 | 0 | 0 | 0 | 0 | 113.2 | P1472 | P1472-S1474 PolarHBondContact O-N 3.03Š| ||
| 1475 | S | 23.9 | Very low | 24.3 | Very low | 107 Ų | 107 | 147.8 Ų | 147.8 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | 27.7 | 98.1 | 148.3 | 56.9 | 0 | 0 | 0 | 0 | 119.7 | D1477 | S1475-D1477 PolarHBondContact O-N 2.85Š| ||
| 1476 | A | 22.8 | Very low | 24.4 | Very low | 105 Ų | 105 | 145.6 Ų | 145.6 | 87% | 0.868 | 82% | 0.824 | S | S | * | * | 24.1 | 92.3 | 124.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 1477 | D | 26.4 | Very low | 24.2 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | trans | -105.3 | 111.7 | 155.1 | -110 | -35.3 | 0 | 0 | 0 | 110.2 | S1475 F1479 | S1475-D1477 PolarHBondContact O-N 2.85Å; D1477-F1479 PolarHBondContact O-N 3.33Å | ||
| 1478 | G | 22.1 | Very low | 24.1 | Very low | 73 Ų | 73 | 136 Ų | 136 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | -90.2 | 93.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K1480 | G1478-K1480 PolarHBondContact O-N 2.61Š| ||
| 1479 | F | 23.8 | Very low | 24.1 | Very low | 207 Ų | 207 | 135 Ų | 135 | 91% | 0.908 | 82% | 0.815 | S | S | * | * | trans | -90.7 | 102.4 | 166 | -100.4 | -89.2 | 0 | 0 | 0 | 112.3 | D1477 | D1477-F1479 PolarHBondContact O-N 3.33Š| ||
| 1480 | K | 22 | Very low | 24.2 | Very low | 165 Ų | 165 | 132.3 Ų | 132.3 | 72% | 0.717 | 82% | 0.816 | S | S | * | * | trans | -65.6 | 129.6 | 171 | -65.8 | 170.7 | 177.3 | 173.1 | 0 | 110.6 | G1478 | G1478-K1480 PolarHBondContact O-N 2.61Š| ||
| 1481 | M | 23.1 | Very low | 24.1 | Very low | 187 Ų | 187 | 127.5 Ų | 127.5 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -120.6 | 116.4 | 147.5 | -79.4 | -65.7 | -77.1 | 0 | 0 | 108.9 | ||||
| 1482 | H | 24.3 | Very low | 23.9 | Very low | 167 Ų | 167 | 129.8 Ų | 129.8 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -79.2 | 145.9 | 175.6 | -78.4 | -96.7 | 0 | 0 | 0 | 110.6 | ||||
| 1483 | G | 26.1 | Very low | 23.8 | Very low | 79 Ų | 79 | 130.2 Ų | 130.2 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | trans | 168.3 | 91.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1484 | S | 23.9 | Very low | 23.8 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | -69.4 | 159.5 | -173.9 | 33.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1485 | P | 25.4 | Very low | 23.7 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | trans | -81.4 | 149.1 | -171.7 | 33.4 | -36.6 | 0 | 0 | 0 | 114 | ||||
| 1486 | L | 24.4 | Very low | 23.6 | Very low | 176 Ų | 176 | 146.8 Ų | 146.8 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | trans | -117.7 | 114.2 | 167.6 | -95.2 | 157.8 | 0 | 0 | 0 | 109.3 | ||||
| 1487 | G | 22.5 | Very low | 23.6 | Very low | 69 Ų | 69 | 151.5 Ų | 151.5 | 71% | 0.711 | 84% | 0.835 | S | S | * | * | trans | -93.9 | 130.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1488 | S | 22.9 | Very low | 23.5 | Very low | 117 Ų | 117 | 149.9 Ų | 149.9 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | 170 | 136.4 | 135.7 | 45 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1489 | S | 22.9 | Very low | 23.7 | Very low | 119 Ų | 119 | 153.9 Ų | 153.9 | 83% | 0.832 | 84% | 0.836 | S | S | * | * | trans | 48.8 | 95.1 | 144.4 | -157.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 1490 | A | 26.8 | Very low | 23.8 | Very low | 110 Ų | 110 | 149.8 Ų | 149.8 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | trans | -130.1 | 111.3 | 145.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1491 | A | 22.5 | Very low | 23.8 | Very low | 81 Ų | 81 | 151.4 Ų | 151.4 | 67% | 0.669 | 84% | 0.837 | S | S | * | * | trans | -96.7 | 134.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1492 | F | 22.1 | Very low | 23.8 | Very low | 212 Ų | 212 | 154.1 Ų | 154.1 | 93% | 0.93 | 84% | 0.837 | S | S | * | * | trans | -139.3 | 112.6 | 157.8 | -101 | -76.4 | 0 | 0 | 0 | 110.8 | ||||
| 1493 | P | 24.1 | Very low | 23.7 | Very low | 114 Ų | 114 | 154.8 Ų | 154.8 | 74% | 0.74 | 84% | 0.84 | S | S | * | * | trans | -93.6 | 125.3 | -179.3 | 33.6 | -30.9 | 0 | 0 | 0 | 112 | ||||
| 1494 | R | 24.1 | Very low | 23.5 | Very low | 253 Ų | 253 | 158.8 Ų | 158.8 | 96% | 0.955 | 84% | 0.842 | S | S | * | * | trans | -125.7 | 116.7 | 159.5 | -87.3 | -171.9 | 171.2 | -176.6 | -1.9 | 111.2 | ||||
| 1495 | K | 21.8 | Very low | 23.5 | Very low | 205 Ų | 205 | 159.8 Ų | 159.8 | 89% | 0.891 | 84% | 0.844 | S | S | * | * | trans | -72.4 | 124.7 | -179 | -62.2 | 168.5 | 178.2 | 173.1 | 0 | 110.7 | ||||
| 1496 | R | 22.4 | Very low | 23.3 | Very low | 245 Ų | 245 | 161.8 Ų | 161.8 | 93% | 0.925 | 84% | 0.84 | S | S | * | * | trans | -125.7 | 128.4 | 144.3 | -81.7 | -173 | 170.2 | -179.6 | -3.2 | 107.6 | ||||
| 1497 | K | 22.3 | Very low | 23.5 | Very low | 204 Ų | 204 | 161.1 Ų | 161.1 | 89% | 0.887 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 127.8 | -173.9 | -69.9 | 178.2 | 175.8 | 179.3 | 0 | 109.8 | ||
| 1498 | P | 24.7 | Very low | 23.6 | Very low | 121 Ų | 121 | 165.5 Ų | 165.5 | 79% | 0.786 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 139.7 | 166.9 | 31.8 | -31.2 | 0 | 0 | 0 | 110.2 | ||
| 1499 | I | 24.7 | Very low | 23.7 | Very low | 158 Ų | 158 | 171.1 Ų | 171.1 | 81% | 0.81 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 142.8 | 173.7 | -65.7 | 171.8 | 0 | 0 | 0 | 108.6 | K1501 | I1499-K1501 PolarHBondContact O-N 3.26Š|
| 1500 | P | 26 | Very low | 23.9 | Very low | 121 Ų | 121 | 174 Ų | 174 | 79% | 0.786 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 121.7 | -165.1 | -14.9 | 30.3 | 0 | 0 | 0 | 112.8 | R1502 | P1500-R1502 PolarHBondContact O-N 3.07Š|
| 1501 | K | 23.3 | Very low | 23.7 | Very low | 199 Ų | 199 | 177.5 Ų | 177.5 | 87% | 0.865 | 84% | 0.84 | S | S | * | * | trans | -70.1 | 111.7 | 163.3 | -70.8 | -176.9 | 175.2 | -175.9 | 0 | 108.6 | I1499 Q1503 | I1499-K1501 PolarHBondContact O-N 3.26Å; K1501-Q1503 PolarHBondContact O-N 3.28Å | ||
| 1502 | R | 22 | Very low | 23.9 | Very low | 243 Ų | 243 | 185.6 Ų | 185.6 | 92% | 0.917 | 85% | 0.853 | S | S | * | * | trans | -80.4 | 94.7 | 174.6 | -158.1 | 174.6 | -169.1 | 171.4 | 1.6 | 108.3 | P1500 | P1500-R1502 PolarHBondContact O-N 3.07Š| ||
| 1503 | Q | 22.1 | Very low | 24.1 | Very low | 181 Ų | 181 | 181.1 Ų | 181.1 | 85% | 0.846 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 145.7 | 175 | -80.6 | -179.8 | -48.8 | 0 | 0 | 110.9 | K1501 | K1501-Q1503 PolarHBondContact O-N 3.28Š|
| 1504 | L | 21.9 | Very low | 23.9 | Very low | 164 Ų | 164 | 181.9 Ų | 181.9 | 86% | 0.859 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 138.1 | 172.7 | -66 | 93.8 | 0 | 0 | 0 | 110.2 | ||
| 1505 | T | 24.8 | Very low | 23.9 | Very low | 134 Ų | 134 | 177.5 Ų | 177.5 | 82% | 0.822 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -103 | 121.3 | 156.4 | 46.5 | 0 | 0 | 0 | 0 | 107.9 | ||
| 1506 | F | 21.8 | Very low | 24.1 | Very low | 172 Ų | 172 | 175.9 Ų | 175.9 | 75% | 0.754 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 121.9 | 175.5 | -146.6 | -103.9 | 0 | 0 | 0 | 107.2 | E1508 | F1506-E1508 HydrophobicContact CD1-CG 3.8Å; F1506-E1508 HydrophobicContact CE1-CG 3.65Å |
| 1507 | D | 27.6 | Very low | 24.3 | Very low | 162 Ų | 162 | 169.2 Ų | 169.2 | 87% | 0.866 | 83% | 0.829 | S | S | * | * | trans | -131 | 109.6 | 168.3 | -103.9 | -37.3 | 0 | 0 | 0 | 107.1 | ||||
| 1508 | E | 24.5 | Very low | 24.3 | Very low | 160 Ų | 160 | 166.5 Ų | 166.5 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | trans | -82.2 | 125.4 | 178.4 | -64.5 | 173 | 137.8 | 0 | 0 | 109.3 | F1506 | F1506-E1508 HydrophobicContact CD1-CG 3.8Å; F1506-E1508 HydrophobicContact CE1-CG 3.65Å | ||
| 1509 | R | 25.5 | Very low | 24.3 | Very low | 235 Ų | 235 | 168.4 Ų | 168.4 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | trans | -150.5 | 98.6 | 160.7 | -141.1 | 172.6 | -170.2 | 168.6 | 4.8 | 113.8 | ||||
| 1510 | E | 26.1 | Very low | 24.3 | Very low | 181 Ų | 181 | 168.9 Ų | 168.9 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | trans | 20.7 | 129.4 | 148.1 | -63.8 | 176.1 | 145.8 | 0 | 0 | 120.1 | ||||
| 1511 | E | 23 | Very low | 24.2 | Very low | 182 Ų | 182 | 169.5 Ų | 169.5 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | trans | -44.4 | 139.2 | 167.4 | -57.9 | 165.4 | 143 | 0 | 0 | 113.8 | ||||
| 1512 | R | 27.4 | Very low | 24 | Very low | 251 Ų | 251 | 165 Ų | 165 | 95% | 0.947 | 82% | 0.816 | S | S | * | * | trans | -124.8 | 127.1 | 147 | -74.9 | -164.4 | -173.5 | -171 | 3.1 | 110.6 | ||||
| 1513 | V | 25.5 | Very low | 24.2 | Very low | 119 Ų | 119 | 160.3 Ų | 160.3 | 72% | 0.721 | 81% | 0.814 | S | S | * | * | trans | -78.9 | 136.1 | -172.5 | 155 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1514 | L | 21.3 | Very low | 24.1 | Very low | 129 Ų | 129 | 160 Ų | 160 | 68% | 0.675 | 81% | 0.813 | S | S | * | * | trans | 56.7 | 150.5 | 149.9 | -92.4 | 49 | 0 | 0 | 0 | 122.9 | ||||
| 1515 | E | 23 | Very low | 24 | Very low | 161 Ų | 161 | 163.4 Ų | 163.4 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | 64.3 | 98.8 | 142 | -71 | 161.2 | -168.6 | 0 | 0 | 119.1 | ||||
| 1516 | D | 27 | Very low | 23.9 | Very low | 171 Ų | 171 | 161.2 Ų | 161.2 | 91% | 0.914 | 81% | 0.805 | S | S | * | * | -172.2 | 105.5 | 129 | -103 | -24.8 | 0 | 0 | 0 | 110.2 | |||||
| 1517 | A | 26.7 | Very low | 23.8 | Very low | 105 Ų | 105 | 159.1 Ų | 159.1 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | trans | 160.9 | 66 | 151.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1518 | D | 21.6 | Very low | 23.6 | Very low | 148 Ų | 148 | 158.6 Ų | 158.6 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -72.4 | 161 | 153.8 | -110.7 | -42.1 | 0 | 0 | 0 | 110.4 | ||||
| 1519 | H | 25 | Very low | 23.5 | Very low | 160 Ų | 160 | 157.6 Ų | 157.6 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | 77.6 | 102.2 | 174.3 | -50 | -54.8 | 0 | 0 | 0 | 119 | ||||
| 1520 | L | 25.3 | Very low | 23.5 | Very low | 169 Ų | 169 | 156 Ų | 156 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | 180 | 82.1 | 113.8 | -93.5 | 162.3 | 0 | 0 | 0 | 108.6 | |||||
| 1521 | N | 21.9 | Very low | 23.4 | Very low | 134 Ų | 134 | 150.5 Ų | 150.5 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | 48.9 | 109.5 | 98.2 | -89 | -7 | 0 | 0 | 0 | 117 | |||||
| 1522 | S | 21.1 | Very low | 23.3 | Very low | 104 Ų | 104 | 149 Ų | 149 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | 52.5 | 93.5 | 135.7 | 66 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1523 | T | 24.5 | Very low | 23 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | -121.9 | 93.3 | 141.9 | 49.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1524 | E | 20.5 | Very low | 23 | Very low | 176 Ų | 176 | 145.4 Ų | 145.4 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -59.2 | 130.3 | 154.4 | -57.8 | 175.9 | 143.5 | 0 | 0 | 108.6 | ||||
| 1525 | R | 20.7 | Very low | 23 | Very low | 234 Ų | 234 | 143.5 Ų | 143.5 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | 172.3 | 148.9 | 131.4 | -94.7 | 157.7 | -171.8 | -159 | 0.7 | 113.7 | ||||
| 1526 | S | 21.2 | Very low | 23 | Very low | 89 Ų | 89 | 146.7 Ų | 146.7 | 62% | 0.622 | 80% | 0.795 | S | S | * | * | trans | 54.8 | 84.4 | 154.3 | 56.2 | 0 | 0 | 0 | 0 | 118.1 | H1528 | S1526-H1528 PolarHBondContact O-N 3.1Š| ||
| 1527 | S | 20.7 | Very low | 23.1 | Very low | 128 Ų | 128 | 145.5 Ų | 145.5 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | -63.5 | 108.6 | 131.7 | 53.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1528 | H | 23.8 | Very low | 23.3 | Very low | 150 Ų | 150 | 147.6 Ų | 147.6 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | trans | -126.2 | 126.5 | 173.9 | -113.3 | -68.9 | 0 | 0 | 0 | 109.6 | S1526 | S1526-H1528 PolarHBondContact O-N 3.1Š| ||
| 1529 | D | 22.8 | Very low | 23.5 | Very low | 139 Ų | 139 | 151.5 Ų | 151.5 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | 39.6 | 83 | 148 | -55.2 | -42.3 | 0 | 0 | 0 | 119.7 | ||||
| 1530 | E | 23.9 | Very low | 23.4 | Very low | 203 Ų | 203 | 150.5 Ų | 150.5 | 95% | 0.949 | 79% | 0.794 | S | S | * | * | -122.9 | 129.1 | 127 | -69.5 | -168.8 | 168 | 0 | 0 | 108 | |||||
| 1531 | G | 23.9 | Very low | 23.2 | Very low | 65 Ų | 65 | 151.8 Ų | 151.8 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | cis | 132.1 | 23.1 | 11.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1532 | N | 22.1 | Very low | 23.2 | Very low | 150 Ų | 150 | 152.6 Ų | 152.6 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -160.3 | 117.5 | 168 | -94.2 | -40.3 | 0 | 0 | 0 | 108.2 | ||||
| 1533 | V | 21.1 | Very low | 23.2 | Very low | 101 Ų | 101 | 152.3 Ų | 152.3 | 61% | 0.612 | 79% | 0.794 | S | S | * | * | 107.4 | 128.8 | 65.4 | 146.4 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 1534 | F | 24.3 | Very low | 22.9 | Very low | 193 Ų | 193 | 152.8 Ų | 152.8 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | 63.1 | 90 | -169.8 | -51.1 | -65.7 | 0 | 0 | 0 | 114.4 | ||||
| 1535 | A | 23.1 | Very low | 23.1 | Very low | 89 Ų | 89 | 152.7 Ų | 152.7 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | 59.7 | 83 | 59.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1536 | Y | 22.5 | Very low | 23 | Very low | 228 Ų | 228 | 147 Ų | 147 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | -173.6 | 126.9 | 116.7 | -115 | -88.9 | 0 | 0 | 0 | 112.5 | |||||
| 1537 | N | 28.8 | Very low | 23 | Very low | 147 Ų | 147 | 151.3 Ų | 151.3 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -84.3 | 155.8 | 165.5 | -60 | -42.4 | 0 | 0 | 0 | 108.4 | ||||
| 1538 | N | 30.7 | Very low | 23 | Very low | 148 Ų | 148 | 153.4 Ų | 153.4 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | cis | -140.7 | 170.1 | 26.1 | -91 | -18.7 | 0 | 0 | 0 | 108.3 | ||||
| 1539 | R | 24.6 | Very low | 23.1 | Very low | 230 Ų | 230 | 155.2 Ų | 155.2 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | cis | 60.9 | 88.5 | 2.5 | -68 | -169.1 | 175 | -162.8 | -1.2 | 118.6 | ||||
| 1540 | V | 23.6 | Very low | 23.7 | Very low | 140 Ų | 140 | 158.6 Ų | 158.6 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | -173.7 | 143.3 | 108.4 | 157.2 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 1541 | F | 22.5 | Very low | 23.7 | Very low | 196 Ų | 196 | 156.5 Ų | 156.5 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -45.2 | 130 | 176 | -76.3 | -114.2 | 0 | 0 | 0 | 117.1 | ||||
| 1542 | L | 19.9 | Very low | 23.6 | Very low | 151 Ų | 151 | 160.4 Ų | 160.4 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -152.5 | 123.8 | 135.9 | -75.8 | -178.2 | 0 | 0 | 0 | 104 | ||||
| 1543 | S | 22 | Very low | 23.6 | Very low | 98 Ų | 98 | 157.2 Ų | 157.2 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | 50.1 | 105.1 | 54.8 | 76.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1544 | D | 19.2 | Very low | 23.8 | Very low | 154 Ų | 154 | 160.7 Ų | 160.7 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | S | Bend | trans | 71 | 127 | -163 | -65.5 | -23.6 | 0 | 0 | 0 | 115.7 | C1546 | D1544-C1546 PolarHBondContact O-N 2.88Š|
| 1545 | D | 23.3 | Very low | 23.8 | Very low | 173 Ų | 173 | 155.2 Ų | 155.2 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | trans | -65.9 | 113.6 | -177.2 | -74.5 | -56.7 | 0 | 0 | 0 | 112.2 | ||||
| 1546 | C | 18.8 | Very low | 24 | Very low | 115 Ų | 115 | 157 Ų | 157 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | trans | -131.2 | 109.3 | 174.6 | -90.1 | 0 | 0 | 0 | 0 | 112.5 | D1544 | D1544-C1546 PolarHBondContact O-N 2.88Š| ||
| 1547 | F | 21.3 | Very low | 24 | Very low | 180 Ų | 180 | 153.6 Ų | 153.6 | 79% | 0.789 | 82% | 0.82 | S | S | * | * | trans | 29.4 | 119.9 | 147.8 | -76.9 | -97.2 | 0 | 0 | 0 | 119.8 | ||||
| 1548 | L | 21.6 | Very low | 23.9 | Very low | 172 Ų | 172 | 157.7 Ų | 157.7 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | -170.1 | 127.4 | 111.1 | -103.5 | 152.8 | 0 | 0 | 0 | 116.3 | |||||
| 1549 | Y | 25.5 | Very low | 23.8 | Very low | 187 Ų | 187 | 155.8 Ų | 155.8 | 73% | 0.733 | 82% | 0.82 | S | S | * | * | trans | -38.9 | 152.8 | 169.4 | -93.8 | -119.7 | 0 | 0 | 0 | 119.1 | ||||
| 1550 | K | 34.7 | Very low | 23.7 | Very low | 210 Ų | 210 | 151.9 Ų | 151.9 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | -161 | 106.3 | 117.3 | -117 | 179 | -175.6 | 179.8 | 0 | 116 | |||||
| 1551 | Q | 23.2 | Very low | 23.8 | Very low | 159 Ų | 159 | 150.8 Ų | 150.8 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -147.5 | 144.4 | 143.8 | -128.8 | 176.2 | -3.8 | 0 | 0 | 106.8 | ||
| 1552 | D | 23 | Very low | 23.7 | Very low | 147 Ų | 147 | 147.3 Ų | 147.3 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | trans | -0.9 | 151.7 | 164.1 | -42.1 | -40.2 | 0 | 0 | 0 | 119.8 | ||||
| 1553 | A | 22.6 | Very low | 23.8 | Very low | 83 Ų | 83 | 145.7 Ų | 145.7 | 69% | 0.686 | 81% | 0.806 | S | S | * | * | cis | 172 | 137.8 | -16.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1554 | N | 24.3 | Very low | 23.7 | Very low | 175 Ų | 175 | 148.4 Ų | 148.4 | 94% | 0.936 | 81% | 0.812 | S | S | * | * | trans | 49.1 | 123.3 | 161.4 | -60.8 | -24.3 | 0 | 0 | 0 | 123 | ||||
| 1555 | G | 23.5 | Very low | 23.8 | Very low | 78 Ų | 78 | 150 Ų | 150 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 131.8 | 122.9 | 147.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1556 | P | 28.9 | Very low | 23.6 | Very low | 127 Ų | 127 | 147.6 Ų | 147.6 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -128.4 | 140.7 | -172.9 | 39.5 | -26.1 | 0 | 0 | 0 | 119 | ||||
| 1557 | V | 21.5 | Very low | 23.7 | Very low | 156 Ų | 156 | 147.8 Ų | 147.8 | 95% | 0.945 | 80% | 0.803 | S | S | * | * | trans | -151.5 | 161.2 | 160.1 | -174.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1558 | R | 26.7 | Very low | 23.7 | Very low | 233 Ų | 233 | 144.6 Ų | 144.6 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -102.3 | -159.4 | -173.3 | -57.2 | 174.1 | 170.1 | 175.4 | -4.4 | 114.6 | ||||
| 1559 | P | 28.1 | Very low | 23.6 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | -128.5 | 175.6 | -93.7 | 41.8 | -23.8 | 0 | 0 | 0 | 117.3 | |||||
| 1560 | N | 23.2 | Very low | 23.5 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | 133.4 | 145.7 | 141.9 | -73.9 | -21.8 | 0 | 0 | 0 | 120.2 | ||||
| 1561 | S | 25.2 | Very low | 23.1 | Very low | 116 Ų | 116 | 137 Ų | 137 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | 77.1 | 149.9 | 152.1 | 75.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1562 | V | 20.7 | Very low | 22.9 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | cis | -173 | 168.3 | -34.6 | 126.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1563 | T | 23.3 | Very low | 22.8 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | trans | 69.1 | 128 | 170.4 | 36.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1564 | L | 19.7 | Very low | 22.6 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | cis | 77.8 | 108.1 | 33.4 | -67.5 | 167.5 | 0 | 0 | 0 | 116.9 | ||||
| 1565 | K | 20 | Very low | 22.4 | Very low | 188 Ų | 188 | 139.3 Ų | 139.3 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | 166.1 | 134 | 116.6 | -92.7 | 171.9 | -179.1 | 178.4 | 0 | 113.8 | |||||
| 1566 | P | 20.5 | Very low | 22.3 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -107.7 | 133.2 | 159.4 | 35.1 | -26.2 | 0 | 0 | 0 | 112 | ||||
| 1567 | T | 20.4 | Very low | 21.8 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -160.7 | 133.8 | 175.4 | 34 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1568 | V | 21.9 | Very low | 21.7 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 68% | 0.679 | 78% | 0.784 | S | S | * | * | 86.5 | 105.7 | 129.6 | 167.8 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1569 | K | 19.7 | Very low | 21.4 | Very low | 171 Ų | 171 | 138.3 Ų | 138.3 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | 70.8 | 142 | 124 | -63.3 | -174.7 | -164.8 | 176.4 | 0 | 124.6 | |||||
| 1570 | T | 22.1 | Very low | 21.1 | Very low | 131 Ų | 131 | 138 Ų | 138 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 81.4 | 153.3 | 136.4 | 43.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1571 | P | 26.4 | Very low | 21 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | trans | -114.5 | 174.8 | -150 | 43.7 | -35.1 | 0 | 0 | 0 | 115.8 | ||||
| 1572 | E | 19 | Very low | 20.7 | Very low | 178 Ų | 178 | 142.1 Ų | 142.1 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | 38.2 | 111.9 | 146.2 | -68 | 174.8 | 173.6 | 0 | 0 | 119.7 | ||||
| 1573 | N | 20.5 | Very low | 20.8 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | trans | -157.1 | 116.4 | 143 | -114.6 | -40.2 | 0 | 0 | 0 | 114.1 | ||||
| 1574 | V | 19.8 | Very low | 20.7 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | trans | 23.1 | 124 | 142.1 | -173.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1575 | E | 19.6 | Very low | 20.9 | Very low | 163 Ų | 163 | 141 Ų | 141 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | 11.2 | 128.6 | 144.5 | -51.9 | -173.8 | 114.7 | 0 | 0 | 121.2 | ||||
| 1576 | A | 20.6 | Very low | 21 | Very low | 106 Ų | 106 | 139 Ų | 139 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | trans | -144.7 | 102 | 144.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1577 | K | 19.8 | Very low | 21 | Very low | 187 Ų | 187 | 143.5 Ų | 143.5 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -73.3 | 137.7 | 165.1 | -78 | 167.7 | 175.7 | 155.5 | 0 | 109.4 | ||||
| 1578 | L | 19.3 | Very low | 21.3 | Very low | 175 Ų | 175 | 145.6 Ų | 145.6 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | trans | -142.9 | 96.2 | 155.5 | -117.6 | 160.2 | 0 | 0 | 0 | 111.3 | ||||
| 1579 | S | 19.2 | Very low | 21.4 | Very low | 104 Ų | 104 | 145 Ų | 145 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -71.9 | 145.5 | 167 | 51.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1580 | S | 21.6 | Very low | 21.6 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -166.1 | 153.2 | 138.1 | 64.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1581 | Q | 21 | Very low | 21.6 | Very low | 173 Ų | 173 | 145 Ų | 145 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | 71.5 | 113.5 | 167.6 | -55.5 | 176.8 | 0.9 | 0 | 0 | 115.4 | ||||
| 1582 | K | 20.7 | Very low | 21.4 | Very low | 178 Ų | 178 | 146.6 Ų | 146.6 | 77% | 0.774 | 80% | 0.795 | S | S | * | * | cis | 65.3 | 136.2 | 49.3 | -59.5 | -176.4 | 162.2 | -161.6 | 0 | 111.7 | ||||
| 1583 | E | 21.3 | Very low | 21.7 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 69% | 0.687 | 79% | 0.791 | S | S | * | * | cis | -164.2 | 170.2 | 31.9 | -136.2 | 151 | -140.9 | 0 | 0 | 113.7 | ||||
| 1584 | T | 22.3 | Very low | 21.9 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | trans | 74.6 | 138.7 | 151.5 | 50 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 1585 | A | 22.5 | Very low | 22 | Very low | 95 Ų | 95 | 141 Ų | 141 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | 57.1 | 115.1 | 152.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1586 | L | 22.2 | Very low | 22 | Very low | 148 Ų | 148 | 145 Ų | 145 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | cis | 72.4 | 119 | 28.3 | -154.5 | 86.6 | 0 | 0 | 0 | 116.2 | ||||
| 1587 | R | 21.7 | Very low | 22.1 | Very low | 215 Ų | 215 | 144 Ų | 144 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | 69.3 | 120.5 | 169.3 | -75.1 | 163.7 | -177.3 | -179.9 | -0.5 | 117.2 | ||||
| 1588 | D | 27.1 | Very low | 22.2 | Very low | 164 Ų | 164 | 140.5 Ų | 140.5 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | -153.8 | 155.6 | 92.4 | -111.2 | -18.6 | 0 | 0 | 0 | 113.7 | |||||
| 1589 | S | 23.4 | Very low | 22.4 | Very low | 98 Ų | 98 | 139.9 Ų | 139.9 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | trans | -129.6 | 124.2 | -166.2 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1590 | K | 24.6 | Very low | 22.5 | Very low | 212 Ų | 212 | 141.2 Ų | 141.2 | 92% | 0.922 | 79% | 0.79 | S | S | * | * | trans | -142.7 | 107.6 | 160 | -69.2 | -176.8 | 178.5 | 176.7 | 0 | 106.7 | ||||
| 1591 | A | 21.4 | Very low | 22.5 | Very low | 90 Ų | 90 | 146 Ų | 146 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | cis | 75.1 | 85.8 | 31.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1592 | V | 22.1 | Very low | 22.5 | Very low | 142 Ų | 142 | 144.3 Ų | 144.3 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | -147.8 | 127.4 | 136.2 | 178.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1593 | P | 25.1 | Very low | 22.6 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | trans | -116.3 | 170 | 173.7 | 39.5 | -30.4 | 0 | 0 | 0 | 113.9 | ||||
| 1594 | S | 24 | Very low | 22.6 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | 121.6 | 153.1 | 168.3 | 69.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1595 | A | 22.5 | Very low | 22.7 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | cis | -163.8 | 132.4 | -27.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1596 | R | 19.7 | Very low | 22.6 | Very low | 247 Ų | 247 | 137.4 Ų | 137.4 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | trans | -157.7 | 95.6 | 156.4 | -152.8 | 160.4 | -174.2 | 170.5 | 1.8 | 107.6 | ||||
| 1597 | A | 22.9 | Very low | 22.5 | Very low | 84 Ų | 84 | 135.5 Ų | 135.5 | 69% | 0.694 | 81% | 0.806 | S | S | * | * | 91.4 | 96.5 | 93.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1598 | S | 22.1 | Very low | 22.5 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -59.8 | 131.2 | 166.8 | 43.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1599 | I | 22.6 | Very low | 22.3 | Very low | 162 Ų | 162 | 126.6 Ų | 126.6 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | trans | -123.6 | 124.8 | 157.8 | -68.8 | 177.9 | 0 | 0 | 0 | 107 | ||||
| 1600 | D | 21.8 | Very low | 22.3 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | -67.4 | 128.9 | -178.2 | -62 | -67.6 | 0 | 0 | 0 | 112.3 | ||||
| 1601 | K | 21.7 | Very low | 22.3 | Very low | 203 Ų | 203 | 126.3 Ų | 126.3 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -135.9 | 73.3 | 149 | -79 | -162.5 | 174.8 | -179.7 | 0 | 110.5 | A1603 | K1601-A1603 VanDerWaalsContact C-N 3.35Å; K1601-A1603 PolarHBondContact O-N 3.1Å; K1601-A1603 VanDerWaalsContact O-N 3.13Å | ||
| 1602 | T | 21.7 | Very low | 22.3 | Very low | 137 Ų | 137 | 129.2 Ų | 129.2 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -73.1 | 89 | 158.6 | 50 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1603 | A | 22.8 | Very low | 22.6 | Very low | 92 Ų | 92 | 127.5 Ų | 127.5 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -132.9 | 121.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | K1601 | K1601-A1603 VanDerWaalsContact C-N 3.35Å; K1601-A1603 PolarHBondContact O-N 3.1Å; K1601-A1603 VanDerWaalsContact O-N 3.13Å | ||
| 1604 | A | 21.1 | Very low | 22.7 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | -87.1 | -174.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1605 | S | 23.4 | Very low | 22.8 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | 69.9 | 87.9 | 170.8 | 53.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1606 | S | 21 | Very low | 23 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | 42.8 | 122.4 | 113.9 | 61.9 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1607 | A | 20.4 | Very low | 23.5 | Very low | 107 Ų | 107 | 123 Ų | 123 | 88% | 0.884 | 76% | 0.758 | S | S | * | * | trans | 67.3 | 133.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1608 | S | 21.4 | Very low | 23.6 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | cis | -132.9 | 154.8 | 26.8 | 46 | 0 | 0 | 0 | 0 | 113.1 | L1610 | S1608-L1610 PolarHBondContact O-N 2.96Š| ||
| 1609 | A | 23.1 | Very low | 24 | Very low | 83 Ų | 83 | 127.2 Ų | 127.2 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | trans | -62.2 | 133.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | N1611 | A1609-N1611 PolarHBondContact O-N 3.26Š| ||
| 1610 | L | 23.3 | Very low | 24.1 | Very low | 172 Ų | 172 | 129.3 Ų | 129.3 | 90% | 0.901 | 75% | 0.748 | S | S | * | * | trans | -67.5 | 83.5 | 163.5 | -77.2 | 162 | 0 | 0 | 0 | 107.9 | S1608 M1612 | S1608-L1610 PolarHBondContact O-N 2.96Å; L1610-M1612 PolarHBondContact O-N 2.84Å | ||
| 1611 | N | 23.5 | Very low | 24.7 | Very low | 132 Ų | 132 | 127.3 Ų | 127.3 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | -53.1 | 123.2 | 156.7 | -88.1 | -15.9 | 0 | 0 | 0 | 106.7 | A1609 | A1609-N1611 PolarHBondContact O-N 3.26Š| ||
| 1612 | M | 22.1 | Very low | 25.3 | Very low | 151 Ų | 151 | 125 Ų | 125 | 74% | 0.744 | 74% | 0.738 | S | S | * | * | trans | -35.9 | 127.3 | 154.1 | -86.9 | -71 | -167.5 | 0 | 0 | 108.3 | L1610 Y1614 | L1610-M1612 PolarHBondContact O-N 2.84Å; M1612-Y1614 VanDerWaalsContact C-N 3.25Å; M1612-Y1614 WeakPolarHBondContact O-CD2 3.3Å; M1612-Y1614 PolarHBondContact O-N 3.23Å | ||
| 1613 | P | 28.6 | Very low | 25.8 | Very low | 107 Ų | 107 | 126 Ų | 126 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | trans | -73.3 | 81.8 | -166.4 | 28.8 | -35.3 | 0 | 0 | 0 | 111 | ||||
| 1614 | Y | 27.3 | Very low | 26.3 | Very low | 185 Ų | 185 | 126.9 Ų | 126.9 | 73% | 0.725 | 74% | 0.739 | S | S | * | * | trans | -53.4 | 140.4 | 158.4 | -76.3 | -86.3 | 0 | 0 | 0 | 108.7 | M1612 T1616 | M1612-Y1614 VanDerWaalsContact C-N 3.25Å; M1612-Y1614 WeakPolarHBondContact O-CD2 3.3Å; M1612-Y1614 PolarHBondContact O-N 3.23Å; Y1614-T1616 VanDerWaalsContact C-N 3.26Å; Y1614-T1616 PolarHBondContact O-N 3.45Å | ||
| 1615 | L | 26.1 | Very low | 27 | Very low | 122 Ų | 122 | 126 Ų | 126 | 64% | 0.639 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -64.5 | 76.5 | 179.1 | -75.4 | 148 | 0 | 0 | 0 | 111.9 | C1628 | L1615-C1628 HydrophobicContact CD2-CB 4.15Å; L1615-C1628 VanDerWaalsContact CD2-SG 3.6Å |
| 1616 | T | 26 | Very low | 27.3 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 73% | 0.73 | 71% | 0.71 | S | S | * | * | trans | -119.3 | 4.5 | 179.5 | 61 | 0 | 0 | 0 | 0 | 114.2 | Y1614 R1618 | Y1614-T1616 VanDerWaalsContact C-N 3.26Å; Y1614-T1616 PolarHBondContact O-N 3.45Å; T1616-R1618 PolarHBondContact O-N 3.36Å | ||
| 1617 | G | 30.5 | Very low | 28.4 | Very low | 61 Ų | 61 | 123.3 Ų | 123.3 | 63% | 0.629 | 69% | 0.688 | S | S | * | * | trans | -74.8 | 48.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S1619 | G1617-S1619 PolarHBondContact O-N 3.43Å; G1617-S1619 VanDerWaalsContact O-N 3.09Å | ||
| 1618 | R | 25.1 | Very low | 29.6 | Very low | 203 Ų | 203 | 120.2 Ų | 120.2 | 77% | 0.766 | 66% | 0.659 | S | S | * | * | trans | -79.8 | 83.6 | 179.6 | -72.8 | -177.4 | 178.2 | 178.8 | -2.2 | 111 | T1616 M1626 | T1616-R1618 PolarHBondContact O-N 3.36Å; R1618-M1626 HydrophobicContact CB-CE 4.29Å; R1618-M1626 HydrophobicContact CB-SD 3.8Å; R1618-M1626 HydrophobicContact CG-SD 4.06Å | ||
| 1619 | S | 30.4 | Very low | 30.9 | Very low | 82 Ų | 82 | 121.5 Ų | 121.5 | 57% | 0.573 | 65% | 0.648 | S | S | * | * | trans | -85.9 | 126.5 | 169.3 | -166.8 | 0 | 0 | 0 | 0 | 110.6 | G1617 | G1617-S1619 PolarHBondContact O-N 3.43Å; G1617-S1619 VanDerWaalsContact O-N 3.09Å | ||
| 1620 | R | 24.5 | Very low | 32.2 | Very low | 207 Ų | 207 | 118.4 Ų | 118.4 | 78% | 0.781 | 62% | 0.621 | S | S | * | * | trans | -87.6 | 109.7 | 175.9 | -119.5 | 178.4 | 173.5 | 165.1 | -4 | 109.3 | M1626 | R1620-M1626 HydrophobicContact CG-CE 4Š| ||
| 1621 | T | 34.7 | Very low | 33.3 | Very low | 89 Ų | 89 | 118.9 Ų | 118.9 | 55% | 0.546 | 62% | 0.616 | S | S | . | * | trans | -121.6 | 119.9 | 164.9 | 51.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1622 | D | 34 | Very low | 34.4 | Very low | 154 Ų | 154 | 117.7 Ų | 117.7 | 82% | 0.824 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | 36.8 | 81.7 | 178.8 | -69.8 | -19.8 | 0 | 0 | 0 | 117 | S1624 | D1622-S1624 VanDerWaalsContact C-N 3.28Å; D1622-S1624 PolarHBondContact O-N 3.45Å |
| 1623 | D | 31.7 | Very low | 36.1 | Very low | 157 Ų | 157 | 113.9 Ų | 113.9 | 84% | 0.84 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | 47.3 | 5.4 | 147.2 | -87.8 | 4.5 | 0 | 0 | 0 | 122.8 | ||
| 1624 | S | 33.3 | Very low | 37.1 | Very low | 111 Ų | 111 | 114 Ų | 114 | 78% | 0.776 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -148.4 | -24.4 | 175.4 | 51.7 | 0 | 0 | 0 | 0 | 118.8 | D1622 | D1622-S1624 VanDerWaalsContact C-N 3.28Å; D1622-S1624 PolarHBondContact O-N 3.45Å |
| 1625 | V | 36.4 | Very low | 38.2 | Very low | 76 Ų | 76 | 107.4 Ų | 107.4 | 46% | 0.461 | 58% | 0.575 | S | S | . | * | trans | -128.9 | 111.1 | -174.2 | -172.9 | 0 | 0 | 0 | 0 | 113 | Q1627 | V1625-Q1627 HydrophobicContact CG1-CG 4.45Å; V1625-Q1627 PolarHBondContact O-N 3.03Å | ||
| 1626 | M | 30.9 | Very low | 39.5 | Very low | 94 Ų | 94 | 105.4 Ų | 105.4 | 46% | 0.463 | 57% | 0.565 | S | S | . | * | trans | -77.3 | 102 | 171.1 | -76.6 | -79.5 | -177.7 | 0 | 0 | 110.5 | R1618 R1620 C1628 | R1618-M1626 HydrophobicContact CB-CE 4.29Å; R1618-M1626 HydrophobicContact CB-SD 3.8Å; R1618-M1626 HydrophobicContact CG-SD 4.06Å; R1620-M1626 HydrophobicContact CG-CE 4Å; M1626-C1628 PolarHBondContact O-N 3.42Å | ||
| 1627 | Q | 43.5 | Very low | 40.8 | Very low | 68 Ų | 68 | 102 Ų | 102 | 32% | 0.318 | 54% | 0.542 | S | S | . | . | trans | -82.1 | 112.7 | 175.3 | -68.9 | -175.2 | -6.9 | 0 | 0 | 111.5 | V1625 I1636 | V1625-Q1627 HydrophobicContact CG1-CG 4.45Å; V1625-Q1627 PolarHBondContact O-N 3.03Å; Q1627-I1636 HydrophobicContact CB-CG2 4.4Å; Q1627-I1636 HydrophobicContact CG-CG2 4.43Å | ||
| 1628 | C | 45 | Very low | 42.6 | Very low | 42 Ų | 42 | 100.8 Ų | 100.8 | 28% | 0.284 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 137.7 | 165.9 | -65.5 | 0 | 0 | 0 | 0 | 109.5 | L1615 M1626 L1637 | L1615-C1628 HydrophobicContact CD2-CB 4.15Å; L1615-C1628 VanDerWaalsContact CD2-SG 3.6Å; M1626-C1628 PolarHBondContact O-N 3.42Å; C1628-L1637 HydrophobicContact CB-CB 4.21Å; C1628-L1637 PolarHBondContact O-N 3.33Å |
| 1629 | R | 49.9 | Very low | 44.6 | Very low | 137 Ų | 137 | 94.9 Ų | 94.9 | 52% | 0.517 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 142.4 | 175.1 | -66.4 | -174.2 | -178.8 | -166 | -1.6 | 110.4 | F1631 A1635 I1636 | R1629-F1631 PolarHBondContact O-N 3.41Å; R1629-A1635 CarbonylContact C-O 3.59Å; R1629-A1635 VanDerWaalsContact CA-O 3.32Å; R1629-A1635 WeakPolarHBondContact CA-O 2.94Å; R1629-I1636 HydrophobicContact CG-CG1 4.35Å |
| 1630 | C | 50.3 | Low | 46.8 | Very low | 18 Ų | 18 | 91.5 Ų | 91.5 | 12% | 0.122 | 48% | 0.482 | C | S | . | . | trans | -65.7 | 127.3 | 171.9 | 177.5 | 0 | 0 | 0 | 0 | 110 | H1449 N1632 N1634 A1635 L1637 | H1449-C1630 VanDerWaalsContact NE2-CB 3.32Å; H1449-C1630 WeakPolarHBondContact NE2-CB 3.36Å; H1449-C1630 PolarHBondContact NE2-SG 3.05Å; C1630-N1632 PolarHBondContact O-N 3.06Å; C1630-N1632 PolarHBondContact SG-N 3.32Å; C1630-N1632 VanDerWaalsContact SG-N 3.43Å; C1630-N1634 WeakPolarHBondContact O-CA 3.05Å; C1630-N1634 PolarHBondContact O-N 3.27Å; C1630-A1635 PolarHBondContact N-O 2.96Å; C1630-L1637 HydrophobicContact CB-CD1 4.35Å; C1630-L1637 HydrophobicContact CB-CD2 4.39Å; C1630-L1637 HydrophobicContact CB-CG 4.31Å | ||
| 1631 | F | 45.9 | Very low | 49.5 | Very low | 181 Ų | 181 | 83.8 Ų | 83.8 | 79% | 0.794 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -27 | 179.9 | -159.2 | -89.9 | 0 | 0 | 0 | 113.1 | R1629 | R1629-F1631 PolarHBondContact O-N 3.41Š|
| 1632 | N | 46.1 | Very low | 51.7 | Low | 108 Ų | 108 | 81.9 Ų | 81.9 | 58% | 0.578 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -20.1 | -169 | -65.1 | 17.3 | 0 | 0 | 0 | 114.5 | Y1451 C1630 | Y1451-N1632 PolarHBondContact OH-ND2 3.23Å; C1630-N1632 PolarHBondContact O-N 3.06Å; C1630-N1632 PolarHBondContact SG-N 3.32Å; C1630-N1632 VanDerWaalsContact SG-N 3.43Å |
| 1633 | C | 58.9 | Low | 54.1 | Low | 71 Ų | 71 | 80.1 Ų | 80.1 | 48% | 0.48 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.5 | 3.8 | 176.4 | 73 | 0 | 0 | 0 | 0 | 114.3 | H1449 A1635 | H1449-C1633 PolarHBondContact CE1-SG 3.21Å; H1449-C1633 PolarHBondContact NE2-SG 3.29Å; C1633-A1635 PolarHBondContact O-N 2.95Å; C1633-A1635 WeakPolarHBondContact SG-CB 3.42Å |
| 1634 | N | 49.4 | Very low | 56.7 | Low | 109 Ų | 109 | 72.9 Ų | 72.9 | 58% | 0.583 | 39% | 0.389 | S | S | * | . | trans | 60.6 | 6.4 | -177.9 | -116 | -23.2 | 0 | 0 | 0 | 116.3 | C1630 | C1630-N1634 WeakPolarHBondContact O-CA 3.05Å; C1630-N1634 PolarHBondContact O-N 3.27Å | ||
| 1635 | A | 50 | Low | 59.2 | Low | 46 Ų | 46 | 67.7 Ų | 67.7 | 38% | 0.38 | 35% | 0.353 | S | S | . | . | trans | -61.4 | 142.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1629 C1630 C1633 L1637 | R1629-A1635 CarbonylContact C-O 3.59Å; R1629-A1635 VanDerWaalsContact CA-O 3.32Å; R1629-A1635 WeakPolarHBondContact CA-O 2.94Å; C1630-A1635 PolarHBondContact N-O 2.96Å; C1633-A1635 PolarHBondContact O-N 2.95Å; C1633-A1635 WeakPolarHBondContact SG-CB 3.42Å; A1635-L1637 PolarHBondContact O-N 3.26Å | ||
| 1636 | I | 53.8 | Low | 61.7 | Low | 81 Ų | 81 | 64.9 Ų | 64.9 | 42% | 0.415 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 127.5 | 177.2 | -60.1 | 166.4 | 0 | 0 | 0 | 108.4 | Q1627 R1629 | Q1627-I1636 HydrophobicContact CB-CG2 4.4Å; Q1627-I1636 HydrophobicContact CG-CG2 4.43Å; R1629-I1636 HydrophobicContact CG-CG1 4.35Å |
| 1637 | L | 53.5 | Low | 64.4 | Low | 48 Ų | 48 | 61.5 Ų | 61.5 | 25% | 0.251 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 110 | 175.6 | -69.1 | 169.5 | 0 | 0 | 0 | 108.8 | C1628 C1630 A1635 V1639 | C1628-L1637 HydrophobicContact CB-CB 4.21Å; C1628-L1637 PolarHBondContact O-N 3.33Å; C1630-L1637 HydrophobicContact CB-CD1 4.35Å; C1630-L1637 HydrophobicContact CB-CD2 4.39Å; C1630-L1637 HydrophobicContact CB-CG 4.31Å; A1635-L1637 PolarHBondContact O-N 3.26Å; L1637-V1639 HydrophobicContact CB-CG2 4.11Å; L1637-V1639 PolarHBondContact O-N 3.03Å |
| 1638 | E | 67 | Low | 66.6 | Low | 34 Ų | 34 | 58.4 Ų | 58.4 | 16% | 0.159 | 31% | 0.306 | C | S | . | . | trans | -77.6 | 95.4 | 167.3 | -59.7 | -173.4 | 163.9 | 0 | 0 | 108.3 | T1399 W1401 S1446 Q1447 C1640 | T1399-E1638 WeakPolarHBondContact CB-OE2 3.13Å; T1399-E1638 WeakPolarHBondContact CG2-OE2 3.47Å; T1399-E1638 VanDerWaalsContact OG1-CD 3.32Å; T1399-E1638 PolarHBondContact OG1-OE1 2.9Å; T1399-E1638 PolarHBondContact OG1-OE2 3.38Å; W1401-E1638 HydrophobicContact CB-CB 4.31Å; W1401-E1638 HydrophobicContact CB-CG 3.91Å; W1401-E1638 WeakPolarHBondContact CB-OE1 3.48Å; W1401-E1638 HydrophobicContact CD2-CB 3.76Å; W1401-E1638 HydrophobicContact CD2-CG 3.81Å; W1401-E1638 HydrophobicContact CE3-CB 3.81Å; W1401-E1638 HydrophobicContact CE3-CG 4.39Å; W1401-E1638 HydrophobicContact CG-CB 3.98Å; W1401-E1638 HydrophobicContact CG-CG 3.56Å; W1401-E1638 HydrophobicContact CZ3-CB 4.44Å; S1446-E1638 WeakPolarHBondContact CB-OE2 3.41Å; S1446-E1638 PolarHBondContact OG-OE2 2.92Å; Q1447-E1638 VanDerWaalsContact CD-O 3.27Å; Q1447-E1638 PolarHBondContact NE2-O 3.07Å; Q1447-E1638 PolarHBondContact OE1-O 3.46Å; Q1447-E1638 VanDerWaalsContact OE1-O 3.09Å; E1638-C1640 PolarHBondContact O-N 2.78Å | ||
| 1639 | V | 68.2 | Low | 68.9 | Low | 80 Ų | 80 | 56.4 Ų | 56.4 | 49% | 0.485 | 29% | 0.293 | S | S | . | . | trans | -93.6 | 98.9 | -179.2 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | W1401 L1637 | W1401-V1639 WeakPolarHBondContact CZ3-O 3.19Å; L1637-V1639 HydrophobicContact CB-CG2 4.11Å; L1637-V1639 PolarHBondContact O-N 3.03Å | ||
| 1640 | C | 75.4 | Confident | 70.8 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 7% | 0.068 | 29% | 0.285 | C | S | . | . | trans | -78.8 | 152 | 170.4 | -65.5 | 0 | 0 | 0 | 0 | 111.2 | Q1447 E1638 T1644 I1645 | Q1447-C1640 PolarHBondContact NE2-SG 3.09Å; Q1447-C1640 VanDerWaalsContact NE2-SG 3.41Å; E1638-C1640 PolarHBondContact O-N 2.78Å; C1640-T1644 HydrophobicContact CB-CG2 4.02Å; C1640-I1645 HydrophobicContact CB-CD1 4.34Å; C1640-I1645 HydrophobicContact CB-CG1 3.96Å | ||
| 1641 | D | 80.8 | Confident | 72.9 | Confident | 46 Ų | 46 | 51.9 Ų | 51.9 | 25% | 0.246 | 28% | 0.28 | C | S | . | . | trans | -63.2 | 150.5 | 165.2 | 48.2 | -76.9 | 0 | 0 | 0 | 112.6 | R1408 H1409 E1643 T1644 I1645 | R1408-D1641 IonicContact CZ-OD1 3.75Å; R1408-D1641 VanDerWaalsContact CZ-OD1 3.26Å; R1408-D1641 IonicContact NH1-OD1 3.1Å; R1408-D1641 PolarHBondContact NH1-OD1 2.87Å; R1408-D1641 IonicContact NH2-OD1 3.03Å; R1408-D1641 PolarHBondContact NH2-OD1 3.09Å; H1409-D1641 IonicContact CD2-OD2 3.35Å; H1409-D1641 IonicContact CE1-OD2 2.71Å; H1409-D1641 IonicContact NE2-OD1 3.75Å; H1409-D1641 IonicContact NE2-OD2 2.95Å; H1409-D1641 PolarHBondContact NE2-OD2 3.37Å; D1641-E1643 PolarHBondContact O-N 3.05Å; D1641-T1644 VanDerWaalsContact CG-OG1 3.25Å; D1641-T1644 PolarHBondContact O-N 2.83Å; D1641-T1644 PolarHBondContact OD1-OG1 3.02Å; D1641-T1644 WeakPolarHBondContact OD2-CB 3.19Å; D1641-T1644 PolarHBondContact OD2-N 2.74Å; D1641-T1644 PolarHBondContact OD2-OG1 2.98Å; D1641-I1645 WeakPolarHBondContact O-CG1 3.43Å; D1641-I1645 PolarHBondContact O-N 2.94Å; D1641-I1645 VanDerWaalsContact O-N 3.17Å | ||
| 1642 | E | 82.3 | Confident | 75.1 | Confident | 48 Ų | 48 | 43.3 Ų | 43.3 | 22% | 0.224 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.4 | -33.8 | -179.4 | -74 | -84.6 | 142.8 | 0 | 0 | 112.9 | S1646 F1682 N1696 C1697 | E1642-S1646 VanDerWaalsContact O-CB 3.29Å; E1642-S1646 WeakPolarHBondContact O-CB 3.4Å; E1642-S1646 PolarHBondContact O-N 2.85Å; E1642-S1646 PolarHBondContact O-OG 2.89Å; E1642-F1682 WeakPolarHBondContact OE1-CG 3.3Å; E1642-N1696 PolarHBondContact OE2-OD1 2.87Å; E1642-C1697 PolarHBondContact OE1-SG 3.09Å; E1642-C1697 VanDerWaalsContact OE1-SG 3.34Å; E1642-C1697 VanDerWaalsContact OE2-CB 3.23Å; E1642-C1697 WeakPolarHBondContact OE2-CB 3.26Å; E1642-C1697 PolarHBondContact OE2-N 3.47Å; E1642-C1697 PolarHBondContact OE2-SG 2.89Å |
| 1643 | E | 83.6 | Confident | 77.2 | Confident | 118 Ų | 118 | 39.7 Ų | 39.7 | 55% | 0.551 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -69.7 | -46.1 | 178.3 | -64.6 | -166 | 157.1 | 0 | 0 | 112.2 | H1409 D1641 I1645 S1646 L1647 | H1409-E1643 IonicContact CE1-OE2 3.63Å; H1409-E1643 PolarHBondContact CE1-OE2 3.44Å; H1409-E1643 WeakPolarHBondContact NE2-CB 3.36Å; D1641-E1643 PolarHBondContact O-N 3.05Å; E1643-I1645 VanDerWaalsContact C-N 3.3Å; E1643-I1645 PolarHBondContact O-N 3.14Å; E1643-S1646 PolarHBondContact O-N 3.39Å; E1643-L1647 WeakPolarHBondContact O-CB 3.4Å; E1643-L1647 WeakPolarHBondContact O-CG 3.37Å; E1643-L1647 PolarHBondContact O-N 3.06Å |
| 1644 | T | 86.2 | Confident | 78.7 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.4 | -45.3 | 173.1 | -70.2 | 0 | 0 | 0 | 0 | 111 | R1408 H1409 L1412 C1640 D1641 G1648 | R1408-T1644 PolarHBondContact NH1-OG1 2.89Å; H1409-T1644 PolarHBondContact CD2-OG1 3.43Å; H1409-T1644 PolarHBondContact NE2-N 3.37Å; H1409-T1644 PolarHBondContact NE2-OG1 2.95Å; L1412-T1644 HydrophobicContact CD1-CG2 3.85Å; L1412-T1644 WeakPolarHBondContact CD1-O 3.44Å; C1640-T1644 HydrophobicContact CB-CG2 4.02Å; D1641-T1644 VanDerWaalsContact CG-OG1 3.25Å; D1641-T1644 PolarHBondContact O-N 2.83Å; D1641-T1644 PolarHBondContact OD1-OG1 3.02Å; D1641-T1644 WeakPolarHBondContact OD2-CB 3.19Å; D1641-T1644 PolarHBondContact OD2-N 2.74Å; D1641-T1644 PolarHBondContact OD2-OG1 2.98Å; T1644-G1648 PolarHBondContact O-N 3.28Å |
| 1645 | I | 86.5 | Confident | 80.7 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.5 | -46.3 | 179.1 | -61.2 | 173.1 | 0 | 0 | 0 | 110 | L1444 Q1447 C1640 D1641 E1643 G1648 I1649 L1677 F1682 C1697 | L1444-I1645 HydrophobicContact CD2-CB 4.45Å; L1444-I1645 HydrophobicContact CD2-CG2 3.93Å; Q1447-I1645 HydrophobicContact CG-CD1 4.03Å; Q1447-I1645 HydrophobicContact CG-CG1 4.18Å; C1640-I1645 HydrophobicContact CB-CD1 4.34Å; C1640-I1645 HydrophobicContact CB-CG1 3.96Å; D1641-I1645 WeakPolarHBondContact O-CG1 3.43Å; D1641-I1645 PolarHBondContact O-N 2.94Å; D1641-I1645 VanDerWaalsContact O-N 3.17Å; E1643-I1645 VanDerWaalsContact C-N 3.3Å; E1643-I1645 PolarHBondContact O-N 3.14Å; I1645-G1648 PolarHBondContact O-N 3.46Å; I1645-I1649 HydrophobicContact CG2-CD1 4.07Å; I1645-I1649 WeakPolarHBondContact O-CG1 3.39Å; I1645-I1649 PolarHBondContact O-N 2.74Å; I1645-L1677 HydrophobicContact CG2-CD1 4.12Å; I1645-L1677 HydrophobicContact CG2-CD2 4.38Å; I1645-F1682 HydrophobicContact CD1-CE1 4.24Å; I1645-C1697 HydrophobicContact CB-CB 4.04Å; I1645-C1697 HydrophobicContact CG2-CB 3.78Å |
| 1646 | S | 88.4 | Confident | 82.5 | Confident | 16 Ų | 16 | 31 Ų | 31 | 11% | 0.112 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.4 | -47 | 179.3 | -61.7 | 0 | 0 | 0 | 0 | 112.5 | E1642 E1643 G1648 I1649 V1650 C1697 | E1642-S1646 VanDerWaalsContact O-CB 3.29Å; E1642-S1646 WeakPolarHBondContact O-CB 3.4Å; E1642-S1646 PolarHBondContact O-N 2.85Å; E1642-S1646 PolarHBondContact O-OG 2.89Å; E1643-S1646 PolarHBondContact O-N 3.39Å; S1646-G1648 VanDerWaalsContact C-N 3.32Å; S1646-G1648 PolarHBondContact O-N 3.28Å; S1646-I1649 PolarHBondContact O-N 3.4Å; S1646-V1650 WeakPolarHBondContact O-CG2 3.42Å; S1646-V1650 PolarHBondContact O-N 3.38Å; S1646-C1697 WeakPolarHBondContact OG-CA 3.05Å; S1646-C1697 WeakPolarHBondContact OG-CB 3.47Å |
| 1647 | L | 88.1 | Confident | 84 | Confident | 24 Ų | 24 | 34.6 Ų | 34.6 | 13% | 0.126 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.8 | -38.3 | 175.4 | -75.1 | 169.2 | 0 | 0 | 0 | 111.9 | L1412 W1413 E1643 V1650 C1651 | L1412-L1647 HydrophobicContact CB-CB 4.2Å; L1412-L1647 HydrophobicContact CD1-CB 3.97Å; W1413-L1647 HydrophobicContact CD2-CD2 4.5Å; W1413-L1647 HydrophobicContact CZ2-CD2 4.08Å; E1643-L1647 WeakPolarHBondContact O-CB 3.4Å; E1643-L1647 WeakPolarHBondContact O-CG 3.37Å; E1643-L1647 PolarHBondContact O-N 3.06Å; L1647-V1650 PolarHBondContact O-N 2.88Å; L1647-C1651 PolarHBondContact O-N 2.96Å; L1647-C1651 PolarHBondContact O-SG 3.23Å |
| 1648 | G | 90.3 | Very high | 85.6 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.5 | -46.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1644 I1645 S1646 V1650 C1651 L1652 | T1644-G1648 PolarHBondContact O-N 3.28Å; I1645-G1648 PolarHBondContact O-N 3.46Å; S1646-G1648 VanDerWaalsContact C-N 3.32Å; S1646-G1648 PolarHBondContact O-N 3.28Å; G1648-V1650 PolarHBondContact O-N 3.45Å; G1648-C1651 WeakPolarHBondContact O-CB 3.35Å; G1648-C1651 PolarHBondContact O-N 2.83Å; G1648-L1652 PolarHBondContact O-N 3.01Å; G1648-L1652 VanDerWaalsContact O-N 3.15Å |
| 1649 | I | 92.2 | Very high | 86.5 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.3 | -41.5 | 176.4 | -63.1 | 160.1 | 0 | 0 | 0 | 111 | L1444 I1645 S1646 C1651 L1652 S1653 V1674 L1677 V1700 A1701 F1704 | L1444-I1649 HydrophobicContact CD1-CG1 4.25Å; L1444-I1649 HydrophobicContact CD2-CG1 4.42Å; I1645-I1649 HydrophobicContact CG2-CD1 4.07Å; I1645-I1649 WeakPolarHBondContact O-CG1 3.39Å; I1645-I1649 PolarHBondContact O-N 2.74Å; S1646-I1649 PolarHBondContact O-N 3.4Å; I1649-C1651 PolarHBondContact O-N 2.69Å; I1649-L1652 PolarHBondContact O-N 3.45Å; I1649-S1653 PolarHBondContact O-N 3.39Å; I1649-V1674 HydrophobicContact CG1-CG1 4.47Å; I1649-V1674 HydrophobicContact CG1-CG2 4.39Å; I1649-V1674 HydrophobicContact CG2-CG1 4.29Å; I1649-L1677 HydrophobicContact CD1-CD1 4.3Å; I1649-L1677 HydrophobicContact CG1-CD1 4.49Å; I1649-V1700 HydrophobicContact CB-CG1 4.08Å; I1649-V1700 HydrophobicContact CD1-CG1 4.39Å; I1649-V1700 HydrophobicContact CG2-CG1 3.9Å; I1649-A1701 HydrophobicContact CD1-CB 3.94Å; I1649-F1704 HydrophobicContact CG2-CB 3.6Å; I1649-F1704 HydrophobicContact CG2-CD2 3.94Å; I1649-F1704 HydrophobicContact CG2-CG 3.89Å |
| 1650 | V | 91 | Very high | 87.2 | Confident | 58 Ų | 58 | 36.3 Ų | 36.3 | 35% | 0.352 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.8 | -42.4 | 176.2 | 172 | 0 | 0 | 0 | 0 | 111.2 | L1416 S1646 L1647 G1648 L1652 S1653 T1654 V1700 | L1416-V1650 HydrophobicContact CD1-CG1 3.97Å; L1416-V1650 HydrophobicContact CD2-CG1 4.16Å; S1646-V1650 WeakPolarHBondContact O-CG2 3.42Å; S1646-V1650 PolarHBondContact O-N 3.38Å; L1647-V1650 PolarHBondContact O-N 2.88Å; G1648-V1650 PolarHBondContact O-N 3.45Å; V1650-L1652 PolarHBondContact O-N 3.01Å; V1650-S1653 WeakPolarHBondContact O-CB 3.27Å; V1650-S1653 PolarHBondContact O-N 3.06Å; V1650-S1653 VanDerWaalsContact O-N 3.15Å; V1650-T1654 PolarHBondContact O-N 3.45Å; V1650-T1654 PolarHBondContact O-OG1 3.47Å; V1650-V1700 HydrophobicContact CG2-CG1 4.37Å |
| 1651 | C | 93 | Very high | 87.4 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.5 | -45.5 | 174.8 | -69.2 | 0 | 0 | 0 | 0 | 112.3 | L1415 L1419 L1647 G1648 I1649 S1653 T1654 F1655 | L1415-C1651 HydrophobicContact CD2-CB 4.39Å; L1419-C1651 HydrophobicContact CD1-CB 4.32Å; L1647-C1651 PolarHBondContact O-N 2.96Å; L1647-C1651 PolarHBondContact O-SG 3.23Å; G1648-C1651 WeakPolarHBondContact O-CB 3.35Å; G1648-C1651 PolarHBondContact O-N 2.83Å; I1649-C1651 PolarHBondContact O-N 2.69Å; C1651-S1653 VanDerWaalsContact C-N 3.33Å; C1651-S1653 PolarHBondContact O-N 2.9Å; C1651-T1654 PolarHBondContact O-N 3.4Å; C1651-F1655 WeakPolarHBondContact O-CB 3.34Å; C1651-F1655 PolarHBondContact O-N 3.18Å |
| 1652 | L | 92.5 | Very high | 87.6 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.8 | -39.9 | 175.4 | -61.3 | -173.3 | 0 | 0 | 0 | 111.8 | V1437 V1440 I1441 L1444 G1648 I1649 V1650 F1655 I1656 M1670 V1674 F1704 | V1437-L1652 HydrophobicContact CG1-CD2 3.94Å; V1440-L1652 HydrophobicContact CB-CD2 4.31Å; V1440-L1652 HydrophobicContact CG1-CD2 3.9Å; V1440-L1652 HydrophobicContact CG1-CG 4.02Å; I1441-L1652 HydrophobicContact CG1-CD1 4.29Å; I1441-L1652 HydrophobicContact CG1-CD2 4.02Å; L1444-L1652 HydrophobicContact CD1-CD1 3.71Å; L1444-L1652 HydrophobicContact CD1-CG 4.43Å; G1648-L1652 PolarHBondContact O-N 3.01Å; G1648-L1652 VanDerWaalsContact O-N 3.15Å; I1649-L1652 PolarHBondContact O-N 3.45Å; V1650-L1652 PolarHBondContact O-N 3.01Å; L1652-F1655 PolarHBondContact O-N 3.5Å; L1652-I1656 WeakPolarHBondContact O-CG1 2.99Å; L1652-I1656 PolarHBondContact O-N 3.46Å; L1652-I1656 VanDerWaalsContact O-N 3.08Å; L1652-M1670 HydrophobicContact CB-SD 4.26Å; L1652-M1670 HydrophobicContact CD1-CB 4.4Å; L1652-M1670 HydrophobicContact CD1-CG 4.16Å; L1652-M1670 HydrophobicContact CD1-SD 4.48Å; L1652-M1670 HydrophobicContact CD2-CG 4.35Å; L1652-M1670 HydrophobicContact CD2-SD 3.91Å; L1652-M1670 HydrophobicContact CG-SD 4.44Å; L1652-V1674 HydrophobicContact CD1-CG2 4.3Å; L1652-F1704 HydrophobicContact CB-CE2 4.03Å |
| 1653 | S | 89.5 | Confident | 87.7 | Confident | 31 Ų | 31 | 36.5 Ų | 36.5 | 22% | 0.217 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 176.2 | -160.3 | 0 | 0 | 0 | 0 | 112.1 | I1649 V1650 C1651 H1657 | I1649-S1653 PolarHBondContact O-N 3.39Å; V1650-S1653 WeakPolarHBondContact O-CB 3.27Å; V1650-S1653 PolarHBondContact O-N 3.06Å; V1650-S1653 VanDerWaalsContact O-N 3.15Å; C1651-S1653 VanDerWaalsContact C-N 3.33Å; C1651-S1653 PolarHBondContact O-N 2.9Å; S1653-H1657 WeakPolarHBondContact O-CB 3.31Å; S1653-H1657 PolarHBondContact O-N 2.83Å; S1653-H1657 VanDerWaalsContact O-N 3.15Å |
| 1654 | T | 90.5 | Very high | 87.6 | Confident | 31 Ų | 31 | 33.7 Ų | 33.7 | 19% | 0.19 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.5 | -38.3 | 179.2 | -53.6 | 0 | 0 | 0 | 0 | 111.5 | L1416 L1419 V1650 C1651 R1658 | L1416-T1654 HydrophobicContact CD1-CG2 4.33Å; L1416-T1654 WeakPolarHBondContact CD1-OG1 3.24Å; L1419-T1654 HydrophobicContact CB-CG2 4.1Å; V1650-T1654 PolarHBondContact O-N 3.45Å; V1650-T1654 PolarHBondContact O-OG1 3.47Å; C1651-T1654 PolarHBondContact O-N 3.4Å; T1654-R1658 VanDerWaalsContact O-CB 3.32Å; T1654-R1658 WeakPolarHBondContact O-CB 3.19Å; T1654-R1658 PolarHBondContact O-N 3.04Å |
| 1655 | F | 92.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.1 | -52.3 | 176 | -179.3 | -112.4 | 0 | 0 | 0 | 112.1 | L1419 V1433 L1434 V1437 C1651 L1652 H1657 R1658 D1659 M1662 A1663 M1670 | L1419-F1655 HydrophobicContact CD1-CB 4.25Å; L1419-F1655 HydrophobicContact CD2-CB 4.48Å; L1419-F1655 HydrophobicContact CD2-CD2 3.9Å; V1433-F1655 HydrophobicContact CG1-CD2 4.22Å; V1433-F1655 HydrophobicContact CG1-CE2 3.93Å; L1434-F1655 HydrophobicContact CD2-CZ 3.9Å; V1437-F1655 HydrophobicContact CG1-CD1 4.21Å; V1437-F1655 HydrophobicContact CG1-CE1 4.17Å; V1437-F1655 HydrophobicContact CG2-CD1 4.19Å; V1437-F1655 HydrophobicContact CG2-CD2 3.95Å; V1437-F1655 HydrophobicContact CG2-CE1 4.34Å; V1437-F1655 HydrophobicContact CG2-CE2 4.1Å; V1437-F1655 HydrophobicContact CG2-CG 4Å; V1437-F1655 HydrophobicContact CG2-CZ 4.31Å; C1651-F1655 WeakPolarHBondContact O-CB 3.34Å; C1651-F1655 PolarHBondContact O-N 3.18Å; L1652-F1655 PolarHBondContact O-N 3.5Å; F1655-H1657 VanDerWaalsContact C-N 3.32Å; F1655-H1657 PolarHBondContact O-N 3.12Å; F1655-R1658 PolarHBondContact O-N 2.85Å; F1655-D1659 PolarHBondContact O-N 3.21Å; F1655-D1659 VanDerWaalsContact O-N 3.14Å; F1655-M1662 HydrophobicContact CE2-CE 3.68Å; F1655-M1662 HydrophobicContact CZ-CE 4.14Å; F1655-M1662 HydrophobicContact CZ-CG 4.1Å; F1655-A1663 HydrophobicContact CD1-CB 3.99Å; F1655-A1663 HydrophobicContact CE1-CB 3.78Å; F1655-M1670 HydrophobicContact CD1-CE 4.37Å; F1655-M1670 HydrophobicContact CD1-SD 4.28Å |
| 1656 | I | 88.5 | Confident | 87.2 | Confident | 14 Ų | 14 | 41.1 Ų | 41.1 | 7% | 0.072 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.6 | -43.4 | 178.7 | -66.4 | 166.1 | 0 | 0 | 0 | 111.4 | L1652 A1663 L1667 M1670 F1704 V1708 | L1652-I1656 WeakPolarHBondContact O-CG1 2.99Å; L1652-I1656 PolarHBondContact O-N 3.46Å; L1652-I1656 VanDerWaalsContact O-N 3.08Å; I1656-A1663 HydrophobicContact CB-CB 4.46Å; I1656-A1663 HydrophobicContact CG1-CB 4.1Å; I1656-L1667 HydrophobicContact CD1-CD1 4.14Å; I1656-M1670 HydrophobicContact CD1-CE 3.81Å; I1656-M1670 HydrophobicContact CD1-SD 4.11Å; I1656-M1670 HydrophobicContact CG1-CE 3.59Å; I1656-M1670 HydrophobicContact CG1-SD 4.14Å; I1656-F1704 HydrophobicContact CD1-CE2 3.83Å; I1656-F1704 HydrophobicContact CD1-CZ 3.66Å; I1656-V1708 HydrophobicContact CD1-CG2 4.1Å |
| 1657 | H | 85.2 | Confident | 87.1 | Confident | 155 Ų | 155 | 41.6 Ų | 41.6 | 72% | 0.718 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -69.2 | -34 | -178.3 | -177.9 | -89.9 | 0 | 0 | 0 | 113 | S1653 F1655 | S1653-H1657 WeakPolarHBondContact O-CB 3.31Å; S1653-H1657 PolarHBondContact O-N 2.83Å; S1653-H1657 VanDerWaalsContact O-N 3.15Å; F1655-H1657 VanDerWaalsContact C-N 3.32Å; F1655-H1657 PolarHBondContact O-N 3.12Å |
| 1658 | R | 87.2 | Confident | 86.8 | Confident | 85 Ų | 85 | 44.6 Ų | 44.6 | 32% | 0.321 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -87.3 | -35.3 | -172.5 | -167.2 | 169.8 | -177.5 | -148.9 | -6.4 | 114.1 | I1418 L1419 Y1420 Y1422 F1424 T1654 F1655 | I1418-R1658 PolarHBondContact O-NH1 2.64Å; L1419-R1658 WeakPolarHBondContact O-CD 3.29Å; L1419-R1658 PolarHBondContact O-NH1 3.12Å; Y1420-R1658 PolarHBondContact O-NH1 3.43Å; Y1422-R1658 VanDerWaalsContact C-NH2 3.26Å; Y1422-R1658 PolarHBondContact O-NH1 2.92Å; Y1422-R1658 PolarHBondContact O-NH2 3.4Å; F1424-R1658 HydrophobicContact CE1-CG 4.46Å; F1424-R1658 VanDerWaalsContact CE1-NH1 3.33Å; F1424-R1658 HydrophobicContact CZ-CB 4.3Å; F1424-R1658 HydrophobicContact CZ-CG 4.13Å; T1654-R1658 VanDerWaalsContact O-CB 3.32Å; T1654-R1658 WeakPolarHBondContact O-CB 3.19Å; T1654-R1658 PolarHBondContact O-N 3.04Å; F1655-R1658 PolarHBondContact O-N 2.85Å |
| 1659 | D | 84.9 | Confident | 86.5 | Confident | 36 Ų | 36 | 49.1 Ų | 49.1 | 19% | 0.193 | 28% | 0.277 | C | S | . | . | trans | -139.9 | 81.7 | 173.1 | -167.1 | -22.2 | 0 | 0 | 0 | 111.1 | F1424 F1655 A1661 M1662 A1663 | F1424-D1659 HydrophobicContact CE2-CB 3.99Å; F1424-D1659 HydrophobicContact CZ-CB 4.5Å; F1655-D1659 PolarHBondContact O-N 3.21Å; F1655-D1659 VanDerWaalsContact O-N 3.14Å; D1659-A1661 PolarHBondContact O-N 3.1Å; D1659-A1661 PolarHBondContact OD1-N 3.32Å; D1659-M1662 HydrophobicContact CB-CB 4.26Å; D1659-M1662 HydrophobicContact CB-CE 4.18Å; D1659-M1662 PolarHBondContact O-N 2.9Å; D1659-M1662 PolarHBondContact OD1-N 2.99Å; D1659-A1663 WeakPolarHBondContact O-CB 3.39Å; D1659-A1663 PolarHBondContact O-N 3.44Å | ||
| 1660 | P | 82.3 | Confident | 86.3 | Confident | 77 Ų | 77 | 49.1 Ų | 49.1 | 50% | 0.5 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.8 | -21.8 | -179.6 | 25.6 | -34.4 | 0 | 0 | 0 | 113.1 | A1664 | P1660-A1664 PolarHBondContact O-N 2.81Å; P1660-A1664 VanDerWaalsContact O-N 3.08Å |
| 1661 | A | 81.5 | Confident | 86 | Confident | 81 Ų | 81 | 46.4 Ų | 46.4 | 67% | 0.669 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -72.8 | -42.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | D1659 | D1659-A1661 PolarHBondContact O-N 3.1Å; D1659-A1661 PolarHBondContact OD1-N 3.32Å |
| 1662 | M | 83.6 | Confident | 85.6 | Confident | 25 Ų | 25 | 47.6 Ų | 47.6 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -74.5 | -29.6 | 174 | -174.7 | 170 | 47.4 | 0 | 0 | 112.6 | F1424 N1430 L1434 F1655 D1659 | F1424-M1662 HydrophobicContact CD2-CE 3.57Å; F1424-M1662 HydrophobicContact CE2-CE 3.43Å; F1424-M1662 VanDerWaalsContact CE2-CE 3.43Å; N1430-M1662 HydrophobicContact CB-SD 3.94Å; L1434-M1662 HydrophobicContact CD1-CG 4.35Å; L1434-M1662 HydrophobicContact CD1-SD 4.1Å; L1434-M1662 HydrophobicContact CD2-CG 3.81Å; L1434-M1662 HydrophobicContact CD2-SD 4.06Å; L1434-M1662 HydrophobicContact CG-CG 4.27Å; L1434-M1662 HydrophobicContact CG-SD 3.91Å; F1655-M1662 HydrophobicContact CE2-CE 3.68Å; F1655-M1662 HydrophobicContact CZ-CE 4.14Å; F1655-M1662 HydrophobicContact CZ-CG 4.1Å; D1659-M1662 HydrophobicContact CB-CB 4.26Å; D1659-M1662 HydrophobicContact CB-CE 4.18Å; D1659-M1662 PolarHBondContact O-N 2.9Å; D1659-M1662 PolarHBondContact OD1-N 2.99Å |
| 1663 | A | 84.7 | Confident | 85.3 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 2% | 0.017 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -74.7 | -25.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | F1655 I1656 D1659 Y1666 L1667 M1670 | F1655-A1663 HydrophobicContact CD1-CB 3.99Å; F1655-A1663 HydrophobicContact CE1-CB 3.78Å; I1656-A1663 HydrophobicContact CB-CB 4.46Å; I1656-A1663 HydrophobicContact CG1-CB 4.1Å; D1659-A1663 WeakPolarHBondContact O-CB 3.39Å; D1659-A1663 PolarHBondContact O-N 3.44Å; A1663-Y1666 CarbonylContact O-C 3.55Å; A1663-Y1666 PolarHBondContact O-N 3.07Å; A1663-L1667 PolarHBondContact O-N 2.88Å; A1663-M1670 HydrophobicContact CB-CE 4.19Å |
| 1664 | A | 80.6 | Confident | 85.2 | Confident | 60 Ų | 60 | 46.3 Ų | 46.3 | 50% | 0.496 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -48 | -52.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | P1660 Y1666 L1667 | P1660-A1664 PolarHBondContact O-N 2.81Å; P1660-A1664 VanDerWaalsContact O-N 3.08Å; A1664-Y1666 PolarHBondContact O-N 3.34Å; A1664-L1667 WeakPolarHBondContact O-CB 3.5Å; A1664-L1667 PolarHBondContact O-N 3.35Å |
| 1665 | P | 81.6 | Confident | 85 | Confident | 108 Ų | 108 | 45 Ų | 45 | 70% | 0.701 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -66.3 | -19.8 | 180 | 24.8 | -33.7 | 0 | 0 | 0 | 114 | ||
| 1666 | Y | 84.3 | Confident | 84.6 | Confident | 55 Ų | 55 | 47.9 Ų | 47.9 | 22% | 0.216 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -96.4 | -9.7 | 178.5 | -71 | -89.6 | 0 | 0 | 0 | 113.3 | L1434 D1438 I1441 A1663 A1664 L1668 K1669 M1670 | L1434-Y1666 HydrophobicContact CD2-CD2 4.17Å; L1434-Y1666 HydrophobicContact CD2-CE2 3.68Å; D1438-Y1666 WeakPolarHBondContact OD1-CE1 3.21Å; D1438-Y1666 VanDerWaalsContact OD2-CE1 3.23Å; D1438-Y1666 WeakPolarHBondContact OD2-CE1 3.36Å; D1438-Y1666 PolarHBondContact OD2-OH 3.47Å; D1438-Y1666 VanDerWaalsContact OD2-OH 3.11Å; I1441-Y1666 HydrophobicContact CD1-CD1 4.25Å; A1663-Y1666 CarbonylContact O-C 3.55Å; A1663-Y1666 PolarHBondContact O-N 3.07Å; A1664-Y1666 PolarHBondContact O-N 3.34Å; Y1666-L1668 PolarHBondContact O-N 3.45Å; Y1666-K1669 HydrophobicContact CD1-CD 4.35Å; Y1666-K1669 WeakPolarHBondContact O-CB 3.46Å; Y1666-K1669 PolarHBondContact O-N 2.95Å; Y1666-K1669 VanDerWaalsContact O-N 3.11Å; Y1666-M1670 WeakPolarHBondContact O-CG 3.29Å; Y1666-M1670 PolarHBondContact O-N 3.42Å |
| 1667 | L | 84.9 | Confident | 84.4 | Confident | 26 Ų | 26 | 47.2 Ų | 47.2 | 14% | 0.136 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.9 | -47.9 | -169.1 | -179.5 | 66.1 | 0 | 0 | 0 | 113.1 | I1656 A1663 A1664 K1669 M1670 L1671 V1708 L1712 L1717 | I1656-L1667 HydrophobicContact CD1-CD1 4.14Å; A1663-L1667 PolarHBondContact O-N 2.88Å; A1664-L1667 WeakPolarHBondContact O-CB 3.5Å; A1664-L1667 PolarHBondContact O-N 3.35Å; L1667-K1669 VanDerWaalsContact C-N 3.35Å; L1667-K1669 PolarHBondContact O-N 3.13Å; L1667-M1670 PolarHBondContact O-N 3.41Å; L1667-L1671 HydrophobicContact CD1-CD1 4.18Å; L1667-L1671 HydrophobicContact CD1-CG 4.32Å; L1667-L1671 HydrophobicContact CG-CD1 4Å; L1667-L1671 WeakPolarHBondContact O-CB 3.48Å; L1667-L1671 WeakPolarHBondContact O-CG 3.1Å; L1667-L1671 PolarHBondContact O-N 3.09Å; L1667-V1708 HydrophobicContact CD1-CG1 3.98Å; L1667-L1712 HydrophobicContact CD1-CD1 3.86Å; L1667-L1712 HydrophobicContact CD2-CD1 3.53Å; L1667-L1712 HydrophobicContact CG-CD1 4.34Å; L1667-L1717 HydrophobicContact CD2-CD1 4.01Å |
| 1668 | L | 81.4 | Confident | 84.3 | Confident | 86 Ų | 86 | 39.9 Ų | 39.9 | 45% | 0.45 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.3 | -41 | 178.9 | -175.7 | 63 | 0 | 0 | 0 | 111.7 | Y1666 L1671 V1672 L1721 | Y1666-L1668 PolarHBondContact O-N 3.45Å; L1668-L1671 PolarHBondContact O-N 3.09Å; L1668-V1672 HydrophobicContact CD1-CG2 4.18Å; L1668-V1672 HydrophobicContact CG-CG2 4.49Å; L1668-V1672 WeakPolarHBondContact O-CB 3.37Å; L1668-V1672 VanDerWaalsContact O-CG2 3.3Å; L1668-V1672 WeakPolarHBondContact O-CG2 3.29Å; L1668-V1672 PolarHBondContact O-N 3.26Å; L1668-L1721 HydrophobicContact CD1-CD1 4.13Å |
| 1669 | K | 84.7 | Confident | 84.1 | Confident | 98 Ų | 98 | 38.2 Ų | 38.2 | 43% | 0.426 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.9 | -44.3 | 177.2 | -169 | -172.3 | -177.5 | -174.6 | 0 | 111.2 | D1438 I1441 Y1666 L1667 T1673 | D1438-K1669 IonicContact OD1-NZ 3.87Å; D1438-K1669 PolarHBondContact OD1-NZ 3.47Å; I1441-K1669 HydrophobicContact CD1-CD 4.38Å; I1441-K1669 HydrophobicContact CG2-CD 4.05Å; I1441-K1669 HydrophobicContact CG2-CG 4.02Å; Y1666-K1669 HydrophobicContact CD1-CD 4.35Å; Y1666-K1669 WeakPolarHBondContact O-CB 3.46Å; Y1666-K1669 PolarHBondContact O-N 2.95Å; Y1666-K1669 VanDerWaalsContact O-N 3.11Å; L1667-K1669 VanDerWaalsContact C-N 3.35Å; L1667-K1669 PolarHBondContact O-N 3.13Å; K1669-T1673 WeakPolarHBondContact O-CB 3.24Å; K1669-T1673 PolarHBondContact O-N 3.2Å; K1669-T1673 VanDerWaalsContact O-N 3.14Å; K1669-T1673 PolarHBondContact O-OG1 3.04Å |
| 1670 | M | 88.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.7 | -49.4 | 176 | -70.7 | -173.6 | -72.2 | 0 | 0 | 111.6 | I1441 L1652 F1655 I1656 A1663 Y1666 L1667 T1673 V1674 | I1441-M1670 HydrophobicContact CD1-CG 3.59Å; I1441-M1670 HydrophobicContact CD1-SD 4.41Å; I1441-M1670 HydrophobicContact CG1-CG 4.04Å; L1652-M1670 HydrophobicContact CB-SD 4.26Å; L1652-M1670 HydrophobicContact CD1-CB 4.4Å; L1652-M1670 HydrophobicContact CD1-CG 4.16Å; L1652-M1670 HydrophobicContact CD1-SD 4.48Å; L1652-M1670 HydrophobicContact CD2-CG 4.35Å; L1652-M1670 HydrophobicContact CD2-SD 3.91Å; L1652-M1670 HydrophobicContact CG-SD 4.44Å; F1655-M1670 HydrophobicContact CD1-CE 4.37Å; F1655-M1670 HydrophobicContact CD1-SD 4.28Å; I1656-M1670 HydrophobicContact CD1-CE 3.81Å; I1656-M1670 HydrophobicContact CD1-SD 4.11Å; I1656-M1670 HydrophobicContact CG1-CE 3.59Å; I1656-M1670 HydrophobicContact CG1-SD 4.14Å; A1663-M1670 HydrophobicContact CB-CE 4.19Å; Y1666-M1670 WeakPolarHBondContact O-CG 3.29Å; Y1666-M1670 PolarHBondContact O-N 3.42Å; L1667-M1670 PolarHBondContact O-N 3.41Å; M1670-T1673 PolarHBondContact O-N 3.02Å; M1670-V1674 WeakPolarHBondContact O-CG2 3.34Å; M1670-V1674 PolarHBondContact O-N 3.42Å |
| 1671 | L | 84.3 | Confident | 83.4 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.5 | -57 | 177.8 | -82 | 171.9 | 0 | 0 | 0 | 111.3 | L1667 L1668 T1673 V1674 F1675 F1704 V1708 | L1667-L1671 HydrophobicContact CD1-CD1 4.18Å; L1667-L1671 HydrophobicContact CD1-CG 4.32Å; L1667-L1671 HydrophobicContact CG-CD1 4Å; L1667-L1671 WeakPolarHBondContact O-CB 3.48Å; L1667-L1671 WeakPolarHBondContact O-CG 3.1Å; L1667-L1671 PolarHBondContact O-N 3.09Å; L1668-L1671 PolarHBondContact O-N 3.09Å; L1671-T1673 VanDerWaalsContact C-N 3.26Å; L1671-T1673 PolarHBondContact O-N 3.3Å; L1671-V1674 PolarHBondContact O-N 3.42Å; L1671-V1674 VanDerWaalsContact O-N 3.12Å; L1671-F1675 VanDerWaalsContact C-CD2 3.43Å; L1671-F1675 HydrophobicContact CB-CD2 4.12Å; L1671-F1675 HydrophobicContact CB-CE2 3.89Å; L1671-F1675 HydrophobicContact CD2-CE2 3.88Å; L1671-F1675 HydrophobicContact CD2-CZ 4.32Å; L1671-F1675 HydrophobicContact CG-CE2 4.4Å; L1671-F1675 WeakPolarHBondContact O-CB 3.45Å; L1671-F1675 WeakPolarHBondContact O-CD2 3.49Å; L1671-F1675 WeakPolarHBondContact O-CG 3.49Å; L1671-F1675 PolarHBondContact O-N 2.76Å; L1671-F1704 HydrophobicContact CD2-CE1 4.24Å; L1671-V1708 HydrophobicContact CD2-CB 4.44Å; L1671-V1708 HydrophobicContact CD2-CG1 3.94Å |
| 1672 | V | 84.4 | Confident | 82.9 | Confident | 27 Ų | 27 | 36.8 Ų | 36.8 | 16% | 0.164 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57 | -40.4 | -179.5 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | L1668 F1675 R1676 E1728 F1731 | L1668-V1672 HydrophobicContact CD1-CG2 4.18Å; L1668-V1672 HydrophobicContact CG-CG2 4.49Å; L1668-V1672 WeakPolarHBondContact O-CB 3.37Å; L1668-V1672 VanDerWaalsContact O-CG2 3.3Å; L1668-V1672 WeakPolarHBondContact O-CG2 3.29Å; L1668-V1672 PolarHBondContact O-N 3.26Å; V1672-F1675 PolarHBondContact O-N 3.49Å; V1672-R1676 VanDerWaalsContact CG1-NH2 3.29Å; V1672-R1676 PolarHBondContact O-N 3.03Å; V1672-E1728 VanDerWaalsContact CG1-OE1 3.23Å; V1672-E1728 WeakPolarHBondContact CG1-OE1 3.3Å; V1672-F1731 HydrophobicContact CG2-CE2 4.2Å |
| 1673 | T | 86.6 | Confident | 82.2 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 3% | 0.025 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.9 | -46.3 | 176.8 | -57.5 | 0 | 0 | 0 | 0 | 112 | L1444 N1445 K1669 M1670 L1671 | L1444-T1673 HydrophobicContact CB-CG2 3.63Å; N1445-T1673 HydrophobicContact CB-CG2 4.48Å; N1445-T1673 VanDerWaalsContact ND2-CG2 3.34Å; N1445-T1673 WeakPolarHBondContact ND2-CG2 3.42Å; N1445-T1673 PolarHBondContact ND2-OG1 2.95Å; K1669-T1673 WeakPolarHBondContact O-CB 3.24Å; K1669-T1673 PolarHBondContact O-N 3.2Å; K1669-T1673 VanDerWaalsContact O-N 3.14Å; K1669-T1673 PolarHBondContact O-OG1 3.04Å; M1670-T1673 PolarHBondContact O-N 3.02Å; L1671-T1673 VanDerWaalsContact C-N 3.26Å; L1671-T1673 PolarHBondContact O-N 3.3Å |
| 1674 | V | 88.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -74.8 | -30 | -179.9 | -177.2 | 0 | 0 | 0 | 0 | 112.1 | I1649 L1652 M1670 L1671 R1676 L1677 A1678 A1701 F1704 | I1649-V1674 HydrophobicContact CG1-CG1 4.47Å; I1649-V1674 HydrophobicContact CG1-CG2 4.39Å; I1649-V1674 HydrophobicContact CG2-CG1 4.29Å; L1652-V1674 HydrophobicContact CD1-CG2 4.3Å; M1670-V1674 WeakPolarHBondContact O-CG2 3.34Å; M1670-V1674 PolarHBondContact O-N 3.42Å; L1671-V1674 PolarHBondContact O-N 3.42Å; L1671-V1674 VanDerWaalsContact O-N 3.12Å; V1674-R1676 PolarHBondContact O-N 3.39Å; V1674-L1677 PolarHBondContact O-N 2.61Å; V1674-A1678 PolarHBondContact O-N 2.78Å; V1674-A1701 HydrophobicContact CG1-CB 3.67Å; V1674-F1704 HydrophobicContact CB-CD1 3.77Å; V1674-F1704 HydrophobicContact CB-CE1 3.83Å; V1674-F1704 HydrophobicContact CG1-CB 4.21Å; V1674-F1704 HydrophobicContact CG1-CD1 3.5Å; V1674-F1704 VanDerWaalsContact CG1-CD1 3.5Å; V1674-F1704 HydrophobicContact CG1-CE1 4.11Å; V1674-F1704 HydrophobicContact CG1-CG 4.04Å; V1674-F1704 HydrophobicContact CG2-CD1 3.96Å; V1674-F1704 HydrophobicContact CG2-CE1 3.77Å; V1674-F1704 HydrophobicContact CG2-CZ 4.2Å |
| 1675 | F | 84.9 | Confident | 80.5 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.4 | -41.8 | 173.1 | -81 | -59.2 | 0 | 0 | 0 | 112.7 | L1671 V1672 L1677 A1678 N1679 V1705 F1731 T1734 I1735 | L1671-F1675 VanDerWaalsContact C-CD2 3.43Å; L1671-F1675 HydrophobicContact CB-CD2 4.12Å; L1671-F1675 HydrophobicContact CB-CE2 3.89Å; L1671-F1675 HydrophobicContact CD2-CE2 3.88Å; L1671-F1675 HydrophobicContact CD2-CZ 4.32Å; L1671-F1675 HydrophobicContact CG-CE2 4.4Å; L1671-F1675 WeakPolarHBondContact O-CB 3.45Å; L1671-F1675 WeakPolarHBondContact O-CD2 3.49Å; L1671-F1675 WeakPolarHBondContact O-CG 3.49Å; L1671-F1675 PolarHBondContact O-N 2.76Å; V1672-F1675 PolarHBondContact O-N 3.49Å; F1675-L1677 VanDerWaalsContact C-N 3.29Å; F1675-L1677 PolarHBondContact O-N 2.81Å; F1675-A1678 PolarHBondContact O-N 2.72Å; F1675-N1679 PolarHBondContact O-N 3.12Å; F1675-V1705 HydrophobicContact CD1-CG1 4.41Å; F1675-V1705 HydrophobicContact CD1-CG2 3.67Å; F1675-V1705 HydrophobicContact CE1-CB 4.05Å; F1675-V1705 HydrophobicContact CE1-CG1 3.41Å; F1675-V1705 VanDerWaalsContact CE1-CG1 3.41Å; F1675-V1705 HydrophobicContact CE1-CG2 3.37Å; F1675-V1705 HydrophobicContact CG-CG2 4.4Å; F1675-V1705 HydrophobicContact CZ-CB 4.47Å; F1675-V1705 HydrophobicContact CZ-CG1 3.82Å; F1675-V1705 HydrophobicContact CZ-CG2 3.89Å; F1675-F1731 HydrophobicContact CB-CD2 4.5Å; F1675-F1731 HydrophobicContact CD2-CD2 4.03Å; F1675-F1731 AromaticContact CD2-CE2 3.32Å; F1675-F1731 HydrophobicContact CD2-CE2 3.32Å; F1675-F1731 AromaticContact CD2-CZ 3.98Å; F1675-F1731 HydrophobicContact CD2-CZ 3.98Å; F1675-F1731 AromaticContact CE2-CE2 3.61Å; F1675-F1731 HydrophobicContact CE2-CE2 3.61Å; F1675-F1731 AromaticContact CE2-CZ 3.75Å; F1675-F1731 HydrophobicContact CE2-CZ 3.75Å; F1675-F1731 HydrophobicContact CG-CD2 4.32Å; F1675-F1731 HydrophobicContact CG-CE2 4.04Å; F1675-F1731 HydrophobicContact CZ-CZ 4.46Å; F1675-T1734 HydrophobicContact CD1-CG2 4.15Å; F1675-I1735 HydrophobicContact CD1-CG1 4.19Å; F1675-I1735 HydrophobicContact CE1-CB 4.49Å; F1675-I1735 HydrophobicContact CE1-CD1 4.13Å; F1675-I1735 HydrophobicContact CE1-CG1 3.31Å; F1675-I1735 HydrophobicContact CE2-CD1 4.3Å; F1675-I1735 HydrophobicContact CE2-CG1 4.34Å; F1675-I1735 HydrophobicContact CZ-CD1 3.75Å; F1675-I1735 HydrophobicContact CZ-CG1 3.43Å; F1675-I1735 VanDerWaalsContact CZ-CG1 3.43Å |
| 1676 | R | 84.3 | Confident | 79.7 | Confident | 61 Ų | 61 | 42.7 Ų | 42.7 | 23% | 0.23 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57 | -44.1 | 173.4 | -70.9 | -177.8 | -162.5 | 134.9 | 12.4 | 111.7 | N1445 V1448 V1672 V1674 N1679 H1680 E1728 | N1445-R1676 PolarHBondContact OD1-NH1 2.73Å; V1448-R1676 HydrophobicContact CB-CB 4.29Å; V1448-R1676 HydrophobicContact CG1-CB 4.19Å; V1448-R1676 HydrophobicContact CG2-CB 4.08Å; V1672-R1676 VanDerWaalsContact CG1-NH2 3.29Å; V1672-R1676 PolarHBondContact O-N 3.03Å; V1674-R1676 PolarHBondContact O-N 3.39Å; R1676-N1679 PolarHBondContact O-N 3.44Å; R1676-H1680 VanDerWaalsContact O-CB 3.32Å; R1676-H1680 WeakPolarHBondContact O-CB 3.37Å; R1676-H1680 PolarHBondContact O-N 2.93Å; R1676-E1728 WeakPolarHBondContact CG-OE2 3.41Å; R1676-E1728 IonicContact CZ-OE1 3.22Å; R1676-E1728 IonicContact NE-OE1 3.28Å; R1676-E1728 PolarHBondContact NE-OE1 3.2Å; R1676-E1728 IonicContact NE-OE2 3.55Å; R1676-E1728 IonicContact NH2-OE1 3.82Å; R1676-E1728 PolarHBondContact NH2-OE1 3.31Å |
| 1677 | L | 84.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.7 | -40.1 | 177.4 | -64.5 | 169.2 | 0 | 0 | 0 | 112.3 | L1444 Q1447 V1448 I1645 I1649 V1674 F1675 N1679 H1680 F1682 A1701 | L1444-L1677 HydrophobicContact CB-CD1 4.11Å; L1444-L1677 HydrophobicContact CD2-CD1 3.92Å; L1444-L1677 HydrophobicContact CG-CD1 4.43Å; Q1447-L1677 HydrophobicContact CB-CD2 3.98Å; V1448-L1677 HydrophobicContact CG2-CD2 3.72Å; V1448-L1677 HydrophobicContact CG2-CG 4.36Å; I1645-L1677 HydrophobicContact CG2-CD1 4.12Å; I1645-L1677 HydrophobicContact CG2-CD2 4.38Å; I1649-L1677 HydrophobicContact CD1-CD1 4.3Å; I1649-L1677 HydrophobicContact CG1-CD1 4.49Å; V1674-L1677 PolarHBondContact O-N 2.61Å; F1675-L1677 VanDerWaalsContact C-N 3.29Å; F1675-L1677 PolarHBondContact O-N 2.81Å; L1677-N1679 VanDerWaalsContact C-N 3.27Å; L1677-N1679 PolarHBondContact O-N 3.08Å; L1677-H1680 PolarHBondContact O-N 3.49Å; L1677-F1682 HydrophobicContact CD2-CZ 3.99Å; L1677-A1701 HydrophobicContact CB-CB 4.24Å |
| 1678 | A | 84.3 | Confident | 77.1 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.4 | -31.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1674 F1675 R1698 A1701 R1702 T1734 | V1674-A1678 PolarHBondContact O-N 2.78Å; F1675-A1678 PolarHBondContact O-N 2.72Å; A1678-R1698 WeakPolarHBondContact O-CG 3.42Å; A1678-R1698 PolarHBondContact O-NE 3.3Å; A1678-A1701 HydrophobicContact CB-CB 3.9Å; A1678-R1702 HydrophobicContact CB-CG 4.1Å; A1678-T1734 HydrophobicContact CB-CG2 4.11Å |
| 1679 | N | 81.8 | Confident | 75.8 | Confident | 51 Ų | 51 | 47.9 Ų | 47.9 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -82.6 | -37.7 | 175.1 | -164.8 | 30.2 | 0 | 0 | 0 | 112.7 | F1675 R1676 L1677 R1698 Q1730 T1734 | F1675-N1679 PolarHBondContact O-N 3.12Å; R1676-N1679 PolarHBondContact O-N 3.44Å; L1677-N1679 VanDerWaalsContact C-N 3.27Å; L1677-N1679 PolarHBondContact O-N 3.08Å; N1679-R1698 PolarHBondContact O-NH2 3.06Å; N1679-Q1730 PolarHBondContact ND2-OE1 3.05Å; N1679-T1734 HydrophobicContact CB-CG2 4.14Å |
| 1680 | H | 78.8 | Confident | 74.6 | Confident | 65 Ų | 65 | 49.6 Ų | 49.6 | 30% | 0.301 | 25% | 0.254 | S | S | . | . | trans | -54.4 | 141.2 | -178.4 | -166.8 | -101 | 0 | 0 | 0 | 112.3 | V1448 R1676 L1677 F1682 R1698 | V1448-H1680 HydrophobicContact CG2-CB 4.31Å; R1676-H1680 VanDerWaalsContact O-CB 3.32Å; R1676-H1680 WeakPolarHBondContact O-CB 3.37Å; R1676-H1680 PolarHBondContact O-N 2.93Å; L1677-H1680 PolarHBondContact O-N 3.49Å; H1680-F1682 HydrophobicContact CB-CE2 3.92Å; H1680-F1682 HydrophobicContact CB-CZ 4.15Å; H1680-F1682 AromaticContact CE1-CD1 3.98Å; H1680-F1682 AromaticContact CE1-CE1 3.92Å; H1680-F1682 AromaticContact ND1-CD1 3.57Å; H1680-F1682 AromaticContact ND1-CD2 3.7Å; H1680-F1682 AromaticContact ND1-CE1 3.36Å; H1680-F1682 WeakPolarHBondContact ND1-CE1 3.49Å; H1680-F1682 AromaticContact ND1-CE2 3.49Å; H1680-F1682 WeakPolarHBondContact ND1-CE2 3.49Å; H1680-F1682 AromaticContact ND1-CG 3.74Å; H1680-F1682 AromaticContact ND1-CZ 3.32Å; H1680-F1682 VanDerWaalsContact ND1-CZ 3.32Å; H1680-F1682 WeakPolarHBondContact ND1-CZ 3.26Å; H1680-R1698 VanDerWaalsContact O-CD 3.28Å; H1680-R1698 WeakPolarHBondContact O-CD 3.19Å; H1680-R1698 PolarHBondContact O-NE 3.22Å | ||
| 1681 | V | 74 | Confident | 73.4 | Confident | 50 Ų | 50 | 55.3 Ų | 55.3 | 30% | 0.303 | 28% | 0.283 | S | S | . | . | trans | -108.6 | 107.5 | -179.9 | 170.9 | 0 | 0 | 0 | 0 | 107.5 | H1683 Q1686 E1687 | V1681-H1683 VanDerWaalsContact CG1-O 3.27Å; V1681-H1683 WeakPolarHBondContact CG1-O 3.25Å; V1681-Q1686 HydrophobicContact CG1-CB 4.34Å; V1681-E1687 HydrophobicContact CG1-CG 3.8Å; V1681-E1687 HydrophobicContact CG2-CG 4.25Å | ||
| 1682 | F | 71.4 | Confident | 72.3 | Confident | 49 Ų | 49 | 59.4 Ų | 59.4 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -83.3 | -27.6 | 179.1 | -63.5 | -90.3 | 0 | 0 | 0 | 111.5 | E1642 I1645 L1677 H1680 C1697 | E1642-F1682 WeakPolarHBondContact OE1-CG 3.3Å; I1645-F1682 HydrophobicContact CD1-CE1 4.24Å; L1677-F1682 HydrophobicContact CD2-CZ 3.99Å; H1680-F1682 HydrophobicContact CB-CE2 3.92Å; H1680-F1682 HydrophobicContact CB-CZ 4.15Å; H1680-F1682 AromaticContact CE1-CD1 3.98Å; H1680-F1682 AromaticContact CE1-CE1 3.92Å; H1680-F1682 AromaticContact ND1-CD1 3.57Å; H1680-F1682 AromaticContact ND1-CD2 3.7Å; H1680-F1682 AromaticContact ND1-CE1 3.36Å; H1680-F1682 WeakPolarHBondContact ND1-CE1 3.49Å; H1680-F1682 AromaticContact ND1-CE2 3.49Å; H1680-F1682 WeakPolarHBondContact ND1-CE2 3.49Å; H1680-F1682 AromaticContact ND1-CG 3.74Å; H1680-F1682 AromaticContact ND1-CZ 3.32Å; H1680-F1682 VanDerWaalsContact ND1-CZ 3.32Å; H1680-F1682 WeakPolarHBondContact ND1-CZ 3.26Å; F1682-C1697 VanDerWaalsContact CE2-SG 3.57Å |
| 1683 | H | 68.9 | Low | 71.5 | Confident | 84 Ų | 84 | 60.6 Ų | 60.6 | 39% | 0.389 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -138.3 | 141.8 | -179.9 | -55.5 | -44.9 | 0 | 0 | 0 | 112.3 | V1681 W1685 Q1686 | V1681-H1683 VanDerWaalsContact CG1-O 3.27Å; V1681-H1683 WeakPolarHBondContact CG1-O 3.25Å; H1683-W1685 VanDerWaalsContact C-N 3.28Å; H1683-W1685 HydrophobicContact CB-CG 4.47Å; H1683-W1685 AromaticContact CD2-NE1 3.86Å; H1683-W1685 AromaticContact CG-NE1 3.91Å; H1683-W1685 PolarHBondContact O-N 3.49Å; H1683-W1685 VanDerWaalsContact O-N 3.1Å; H1683-Q1686 HydrophobicContact CB-CG 4.2Å; H1683-Q1686 VanDerWaalsContact O-CB 3.29Å; H1683-Q1686 WeakPolarHBondContact O-CB 3.37Å; H1683-Q1686 WeakPolarHBondContact O-CG 3.45Å; H1683-Q1686 PolarHBondContact O-N 2.99Å |
| 1684 | P | 62.9 | Low | 70.3 | Confident | 110 Ų | 110 | 65 Ų | 65 | 71% | 0.714 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -55.7 | -33.1 | -173.7 | -28.6 | 35.2 | 0 | 0 | 0 | 115.7 | Q1686 E1687 | P1684-Q1686 PolarHBondContact O-N 2.91Å; P1684-Q1686 VanDerWaalsContact O-N 3.16Å; P1684-E1687 PolarHBondContact O-N 3.49Å |
| 1685 | W | 67.1 | Low | 69.2 | Low | 120 Ų | 120 | 70.5 Ų | 70.5 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -65.7 | -16.4 | 178.8 | 64.9 | -99.9 | 0 | 0 | 0 | 113.6 | H1683 E1687 S1689 V1693 | H1683-W1685 VanDerWaalsContact C-N 3.28Å; H1683-W1685 HydrophobicContact CB-CG 4.47Å; H1683-W1685 AromaticContact CD2-NE1 3.86Å; H1683-W1685 AromaticContact CG-NE1 3.91Å; H1683-W1685 PolarHBondContact O-N 3.49Å; H1683-W1685 VanDerWaalsContact O-N 3.1Å; W1685-E1687 VanDerWaalsContact C-N 3.35Å; W1685-S1689 PolarHBondContact O-OG 2.98Å; W1685-V1693 HydrophobicContact CH2-CB 4.08Å; W1685-V1693 HydrophobicContact CH2-CG1 4.49Å; W1685-V1693 HydrophobicContact CH2-CG2 3.59Å; W1685-V1693 HydrophobicContact CZ3-CG2 3.76Å |
| 1686 | Q | 64.6 | Low | 69.1 | Low | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.019 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -81.8 | -9.8 | 179.3 | -53.2 | 175 | -11 | 0 | 0 | 113 | V1681 H1683 P1684 N1696 R1698 | V1681-Q1686 HydrophobicContact CG1-CB 4.34Å; H1683-Q1686 HydrophobicContact CB-CG 4.2Å; H1683-Q1686 VanDerWaalsContact O-CB 3.29Å; H1683-Q1686 WeakPolarHBondContact O-CB 3.37Å; H1683-Q1686 WeakPolarHBondContact O-CG 3.45Å; H1683-Q1686 PolarHBondContact O-N 2.99Å; P1684-Q1686 PolarHBondContact O-N 2.91Å; P1684-Q1686 VanDerWaalsContact O-N 3.16Å; Q1686-N1696 PolarHBondContact NE2-ND2 3.33Å; Q1686-R1698 PolarHBondContact O-NH1 3.34Å |
| 1687 | E | 59.7 | Low | 69 | Low | 149 Ų | 149 | 68.2 Ų | 68.2 | 70% | 0.696 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -66.7 | -37.9 | 179.4 | -67.6 | -167.8 | 157.3 | 0 | 0 | 112.5 | V1681 P1684 W1685 | V1681-E1687 HydrophobicContact CG1-CG 3.8Å; V1681-E1687 HydrophobicContact CG2-CG 4.25Å; P1684-E1687 PolarHBondContact O-N 3.49Å; W1685-E1687 VanDerWaalsContact C-N 3.35Å |
| 1688 | S | 53.4 | Low | 69.1 | Low | 110 Ų | 110 | 69.2 Ų | 69.2 | 77% | 0.769 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -103.1 | -7 | -172.7 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1689 | S | 55.8 | Low | 69.1 | Low | 18 Ų | 18 | 69.3 Ų | 69.3 | 13% | 0.126 | 37% | 0.372 | C | S | . | . | trans | -110.3 | 120.5 | -172.4 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | W1685 | W1685-S1689 PolarHBondContact O-OG 2.98Š| ||
| 1690 | H | 59.1 | Low | 69.3 | Low | 133 Ų | 133 | 68.6 Ų | 68.6 | 62% | 0.616 | 37% | 0.369 | S | S | * | . | trans | -81.2 | 3.9 | 161.7 | -71.9 | -89.3 | 0 | 0 | 0 | 112.4 | F1692 | H1690-F1692 PolarHBondContact O-N 2.89Š| ||
| 1691 | I | 62.8 | Low | 69.8 | Low | 120 Ų | 120 | 65.5 Ų | 65.5 | 62% | 0.615 | 36% | 0.355 | S | S | * | . | trans | -63.6 | 123.5 | -177.9 | -57.6 | 173.4 | 0 | 0 | 0 | 109.5 | V1693 | I1691-V1693 HydrophobicContact CG2-CG2 4.24Å; I1691-V1693 PolarHBondContact O-N 2.74Å | ||
| 1692 | F | 62 | Low | 70.5 | Confident | 89 Ų | 89 | 64.1 Ų | 64.1 | 39% | 0.39 | 34% | 0.344 | S | S | . | . | trans | -77.9 | 99.4 | 173.8 | -167.1 | -85.9 | 0 | 0 | 0 | 109.2 | H1690 S1699 Q1703 | H1690-F1692 PolarHBondContact O-N 2.89Å; F1692-S1699 VanDerWaalsContact CE2-O 3.3Å; F1692-S1699 WeakPolarHBondContact CE2-O 3.49Å; F1692-Q1703 HydrophobicContact CE2-CB 4.24Å; F1692-Q1703 HydrophobicContact CZ-CB 4.28Å | ||
| 1693 | V | 66.8 | Low | 71.2 | Confident | 52 Ų | 52 | 64.8 Ų | 64.8 | 32% | 0.315 | 35% | 0.348 | S | S | . | . | trans | -86.9 | 120.8 | 172.8 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | W1685 I1691 N1696 S1699 | W1685-V1693 HydrophobicContact CH2-CB 4.08Å; W1685-V1693 HydrophobicContact CH2-CG1 4.49Å; W1685-V1693 HydrophobicContact CH2-CG2 3.59Å; W1685-V1693 HydrophobicContact CZ3-CG2 3.76Å; I1691-V1693 HydrophobicContact CG2-CG2 4.24Å; I1691-V1693 PolarHBondContact O-N 2.74Å; V1693-N1696 HydrophobicContact CB-CB 4.47Å; V1693-S1699 PolarHBondContact N-OG 3.41Å; V1693-S1699 WeakPolarHBondContact O-CB 3.43Å; V1693-S1699 PolarHBondContact O-OG 3.21Å | ||
| 1694 | P | 61.7 | Low | 72.3 | Confident | 96 Ų | 96 | 61 Ų | 61 | 62% | 0.623 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 154.1 | 173.8 | -24.2 | 34.8 | 0 | 0 | 0 | 112.1 | N1696 | P1694-N1696 PolarHBondContact O-N 3.38Š|
| 1695 | S | 65.7 | Low | 73.5 | Confident | 115 Ų | 115 | 55.8 Ų | 55.8 | 80% | 0.804 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | -2.4 | 179.1 | -50.7 | 0 | 0 | 0 | 0 | 117.9 | ||
| 1696 | N | 81 | Confident | 74.6 | Confident | 17 Ų | 17 | 51 Ų | 51 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | trans | -80.9 | 131.8 | 171.6 | 174.9 | -16.3 | 0 | 0 | 0 | 111.1 | E1642 Q1686 V1693 P1694 R1698 S1699 V1700 | E1642-N1696 PolarHBondContact OE2-OD1 2.87Å; Q1686-N1696 PolarHBondContact NE2-ND2 3.33Å; V1693-N1696 HydrophobicContact CB-CB 4.47Å; P1694-N1696 PolarHBondContact O-N 3.38Å; N1696-R1698 PolarHBondContact O-N 3.08Å; N1696-R1698 VanDerWaalsContact OD1-CB 3.3Å; N1696-R1698 WeakPolarHBondContact OD1-CB 3.44Å; N1696-R1698 PolarHBondContact OD1-N 3.35Å; N1696-S1699 WeakPolarHBondContact O-CA 3.33Å; N1696-S1699 VanDerWaalsContact O-CB 3.31Å; N1696-S1699 WeakPolarHBondContact O-CB 3.38Å; N1696-S1699 PolarHBondContact O-N 3.31Å; N1696-V1700 PolarHBondContact O-N 3.02Å; N1696-V1700 VanDerWaalsContact O-N 3.07Å | ||
| 1697 | C | 83.5 | Confident | 75.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.5 | -31 | -177.4 | 80.6 | 0 | 0 | 0 | 0 | 112.8 | E1642 I1645 S1646 F1682 V1700 A1701 | E1642-C1697 PolarHBondContact OE1-SG 3.09Å; E1642-C1697 VanDerWaalsContact OE1-SG 3.34Å; E1642-C1697 VanDerWaalsContact OE2-CB 3.23Å; E1642-C1697 WeakPolarHBondContact OE2-CB 3.26Å; E1642-C1697 PolarHBondContact OE2-N 3.47Å; E1642-C1697 PolarHBondContact OE2-SG 2.89Å; I1645-C1697 HydrophobicContact CB-CB 4.04Å; I1645-C1697 HydrophobicContact CG2-CB 3.78Å; S1646-C1697 WeakPolarHBondContact OG-CA 3.05Å; S1646-C1697 WeakPolarHBondContact OG-CB 3.47Å; F1682-C1697 VanDerWaalsContact CE2-SG 3.57Å; C1697-V1700 PolarHBondContact O-N 3.22Å; C1697-A1701 WeakPolarHBondContact O-CB 3.48Å; C1697-A1701 PolarHBondContact O-N 3.01Å |
| 1698 | R | 85.7 | Confident | 77 | Confident | 20 Ų | 20 | 47.2 Ų | 47.2 | 8% | 0.075 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.5 | -36.8 | 174.7 | -163.7 | -177.8 | -171.5 | -161.6 | 13 | 111.9 | A1678 N1679 H1680 Q1686 N1696 R1702 | A1678-R1698 WeakPolarHBondContact O-CG 3.42Å; A1678-R1698 PolarHBondContact O-NE 3.3Å; N1679-R1698 PolarHBondContact O-NH2 3.06Å; H1680-R1698 VanDerWaalsContact O-CD 3.28Å; H1680-R1698 WeakPolarHBondContact O-CD 3.19Å; H1680-R1698 PolarHBondContact O-NE 3.22Å; Q1686-R1698 PolarHBondContact O-NH1 3.34Å; N1696-R1698 PolarHBondContact O-N 3.08Å; N1696-R1698 VanDerWaalsContact OD1-CB 3.3Å; N1696-R1698 WeakPolarHBondContact OD1-CB 3.44Å; N1696-R1698 PolarHBondContact OD1-N 3.35Å; R1698-R1702 VanDerWaalsContact O-CG 3.3Å; R1698-R1702 WeakPolarHBondContact O-CG 3.35Å; R1698-R1702 PolarHBondContact O-N 3.06Å |
| 1699 | S | 83.6 | Confident | 78.6 | Confident | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.9 | -42.8 | 173.5 | -59.3 | 0 | 0 | 0 | 0 | 110.9 | F1692 V1693 N1696 R1702 Q1703 | F1692-S1699 VanDerWaalsContact CE2-O 3.3Å; F1692-S1699 WeakPolarHBondContact CE2-O 3.49Å; V1693-S1699 PolarHBondContact N-OG 3.41Å; V1693-S1699 WeakPolarHBondContact O-CB 3.43Å; V1693-S1699 PolarHBondContact O-OG 3.21Å; N1696-S1699 WeakPolarHBondContact O-CA 3.33Å; N1696-S1699 VanDerWaalsContact O-CB 3.31Å; N1696-S1699 WeakPolarHBondContact O-CB 3.38Å; N1696-S1699 PolarHBondContact O-N 3.31Å; S1699-R1702 PolarHBondContact O-N 3.4Å; S1699-Q1703 WeakPolarHBondContact O-CB 3.43Å; S1699-Q1703 PolarHBondContact O-N 3.43Å |
| 1700 | V | 87.3 | Confident | 80.1 | Confident | 35 Ų | 35 | 44 Ų | 44 | 21% | 0.212 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.8 | -43.4 | 175.5 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | I1649 V1650 N1696 C1697 Q1703 F1704 | I1649-V1700 HydrophobicContact CB-CG1 4.08Å; I1649-V1700 HydrophobicContact CD1-CG1 4.39Å; I1649-V1700 HydrophobicContact CG2-CG1 3.9Å; V1650-V1700 HydrophobicContact CG2-CG1 4.37Å; N1696-V1700 PolarHBondContact O-N 3.02Å; N1696-V1700 VanDerWaalsContact O-N 3.07Å; C1697-V1700 PolarHBondContact O-N 3.22Å; V1700-Q1703 PolarHBondContact O-N 3.39Å; V1700-F1704 PolarHBondContact O-N 3.3Å |
| 1701 | A | 88.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1649 V1674 L1677 A1678 C1697 Q1703 F1704 V1705 | I1649-A1701 HydrophobicContact CD1-CB 3.94Å; V1674-A1701 HydrophobicContact CG1-CB 3.67Å; L1677-A1701 HydrophobicContact CB-CB 4.24Å; A1678-A1701 HydrophobicContact CB-CB 3.9Å; C1697-A1701 WeakPolarHBondContact O-CB 3.48Å; C1697-A1701 PolarHBondContact O-N 3.01Å; A1701-Q1703 VanDerWaalsContact C-N 3.32Å; A1701-Q1703 PolarHBondContact O-N 3.28Å; A1701-F1704 PolarHBondContact O-N 3.4Å; A1701-V1705 WeakPolarHBondContact O-CG2 3.4Å; A1701-V1705 PolarHBondContact O-N 3.44Å; A1701-V1705 VanDerWaalsContact O-N 3.12Å |
| 1702 | R | 88.7 | Confident | 82.2 | Confident | 21 Ų | 21 | 38.9 Ų | 38.9 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.7 | -38.8 | 173.8 | -72.4 | 176.4 | 176.7 | 176.1 | -0.8 | 112.1 | A1678 R1698 S1699 V1705 R1706 | A1678-R1702 HydrophobicContact CB-CG 4.1Å; R1698-R1702 VanDerWaalsContact O-CG 3.3Å; R1698-R1702 WeakPolarHBondContact O-CG 3.35Å; R1698-R1702 PolarHBondContact O-N 3.06Å; S1699-R1702 PolarHBondContact O-N 3.4Å; R1702-V1705 PolarHBondContact O-N 2.81Å; R1702-R1706 WeakPolarHBondContact O-CG 3.31Å; R1702-R1706 PolarHBondContact O-N 3.11Å; R1702-R1706 VanDerWaalsContact O-N 3.12Å |
| 1703 | Q | 87.5 | Confident | 83.2 | Confident | 63 Ų | 63 | 35 Ų | 35 | 29% | 0.294 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -71.8 | -38.4 | 179 | -168.9 | 60.5 | 20.3 | 0 | 0 | 112.5 | F1692 S1699 V1700 A1701 V1705 R1706 I1707 | F1692-Q1703 HydrophobicContact CE2-CB 4.24Å; F1692-Q1703 HydrophobicContact CZ-CB 4.28Å; S1699-Q1703 WeakPolarHBondContact O-CB 3.43Å; S1699-Q1703 PolarHBondContact O-N 3.43Å; V1700-Q1703 PolarHBondContact O-N 3.39Å; A1701-Q1703 VanDerWaalsContact C-N 3.32Å; A1701-Q1703 PolarHBondContact O-N 3.28Å; Q1703-V1705 VanDerWaalsContact C-N 3.33Å; Q1703-V1705 PolarHBondContact O-N 3.29Å; Q1703-R1706 PolarHBondContact O-N 3.02Å; Q1703-I1707 HydrophobicContact CG-CD1 3.97Å; Q1703-I1707 WeakPolarHBondContact O-CG1 3.43Å; Q1703-I1707 PolarHBondContact O-N 2.86Å |
| 1704 | F | 91.9 | Very high | 83.7 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 2% | 0.022 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55 | -49 | 170.1 | 170.3 | -88.1 | 0 | 0 | 0 | 111.2 | I1649 L1652 I1656 L1671 V1674 V1700 A1701 R1706 I1707 V1708 | I1649-F1704 HydrophobicContact CG2-CB 3.6Å; I1649-F1704 HydrophobicContact CG2-CD2 3.94Å; I1649-F1704 HydrophobicContact CG2-CG 3.89Å; L1652-F1704 HydrophobicContact CB-CE2 4.03Å; I1656-F1704 HydrophobicContact CD1-CE2 3.83Å; I1656-F1704 HydrophobicContact CD1-CZ 3.66Å; L1671-F1704 HydrophobicContact CD2-CE1 4.24Å; V1674-F1704 HydrophobicContact CB-CD1 3.77Å; V1674-F1704 HydrophobicContact CB-CE1 3.83Å; V1674-F1704 HydrophobicContact CG1-CB 4.21Å; V1674-F1704 HydrophobicContact CG1-CD1 3.5Å; V1674-F1704 VanDerWaalsContact CG1-CD1 3.5Å; V1674-F1704 HydrophobicContact CG1-CE1 4.11Å; V1674-F1704 HydrophobicContact CG1-CG 4.04Å; V1674-F1704 HydrophobicContact CG2-CD1 3.96Å; V1674-F1704 HydrophobicContact CG2-CE1 3.77Å; V1674-F1704 HydrophobicContact CG2-CZ 4.2Å; V1700-F1704 PolarHBondContact O-N 3.3Å; A1701-F1704 PolarHBondContact O-N 3.4Å; F1704-R1706 PolarHBondContact O-N 3.46Å; F1704-I1707 PolarHBondContact O-N 2.69Å; F1704-V1708 HydrophobicContact CD1-CG2 4.39Å; F1704-V1708 HydrophobicContact CD2-CG2 4.2Å; F1704-V1708 HydrophobicContact CE1-CG2 4.15Å; F1704-V1708 HydrophobicContact CE2-CG2 3.95Å; F1704-V1708 HydrophobicContact CG-CG2 4.42Å; F1704-V1708 HydrophobicContact CZ-CG2 3.93Å; F1704-V1708 WeakPolarHBondContact O-CB 3.33Å; F1704-V1708 WeakPolarHBondContact O-CG2 3.21Å; F1704-V1708 PolarHBondContact O-N 3.22Å |
| 1705 | V | 88.2 | Confident | 84.5 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.9 | -50.4 | 177 | 164.4 | 0 | 0 | 0 | 0 | 111.3 | F1675 A1701 R1702 Q1703 I1707 L1709 C1738 | F1675-V1705 HydrophobicContact CD1-CG1 4.41Å; F1675-V1705 HydrophobicContact CD1-CG2 3.67Å; F1675-V1705 HydrophobicContact CE1-CB 4.05Å; F1675-V1705 HydrophobicContact CE1-CG1 3.41Å; F1675-V1705 VanDerWaalsContact CE1-CG1 3.41Å; F1675-V1705 HydrophobicContact CE1-CG2 3.37Å; F1675-V1705 HydrophobicContact CG-CG2 4.4Å; F1675-V1705 HydrophobicContact CZ-CB 4.47Å; F1675-V1705 HydrophobicContact CZ-CG1 3.82Å; F1675-V1705 HydrophobicContact CZ-CG2 3.89Å; A1701-V1705 WeakPolarHBondContact O-CG2 3.4Å; A1701-V1705 PolarHBondContact O-N 3.44Å; A1701-V1705 VanDerWaalsContact O-N 3.12Å; R1702-V1705 PolarHBondContact O-N 2.81Å; Q1703-V1705 VanDerWaalsContact C-N 3.33Å; Q1703-V1705 PolarHBondContact O-N 3.29Å; V1705-I1707 PolarHBondContact O-N 3.09Å; V1705-L1709 HydrophobicContact CG1-CD1 3.79Å; V1705-L1709 HydrophobicContact CG1-CG 4.37Å; V1705-L1709 WeakPolarHBondContact O-CB 3.23Å; V1705-L1709 VanDerWaalsContact O-CG 3.26Å; V1705-L1709 WeakPolarHBondContact O-CG 3.26Å; V1705-L1709 PolarHBondContact O-N 3.26Å; V1705-C1738 HydrophobicContact CG1-CB 3.92Å |
| 1706 | R | 89.1 | Confident | 85.2 | Confident | 21 Ų | 21 | 37.4 Ų | 37.4 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.5 | -49.8 | 179 | -72.5 | 168.1 | 179 | 172.5 | -2.8 | 112.2 | R1702 Q1703 F1704 H1710 C1738 L1739 D1741 F1742 | R1702-R1706 WeakPolarHBondContact O-CG 3.31Å; R1702-R1706 PolarHBondContact O-N 3.11Å; R1702-R1706 VanDerWaalsContact O-N 3.12Å; Q1703-R1706 PolarHBondContact O-N 3.02Å; F1704-R1706 PolarHBondContact O-N 3.46Å; R1706-H1710 VanDerWaalsContact O-CB 3.31Å; R1706-H1710 WeakPolarHBondContact O-CB 3.48Å; R1706-H1710 PolarHBondContact O-N 3.33Å; R1706-C1738 PolarHBondContact NE-O 3.07Å; R1706-L1739 HydrophobicContact CG-CD2 4.14Å; R1706-D1741 IonicContact CZ-OD1 3.87Å; R1706-D1741 IonicContact CZ-OD2 2.64Å; R1706-D1741 IonicContact NH2-OD1 3.34Å; R1706-D1741 PolarHBondContact NH2-OD1 3.39Å; R1706-D1741 IonicContact NH2-OD2 3.92Å; R1706-D1741 PolarHBondContact NH2-OD2 3.25Å; R1706-F1742 HydrophobicContact CB-CD1 4.12Å; R1706-F1742 HydrophobicContact CB-CE1 4.04Å; R1706-F1742 HydrophobicContact CB-CE2 4.47Å; R1706-F1742 HydrophobicContact CB-CG 4.39Å; R1706-F1742 HydrophobicContact CB-CZ 4.22Å; R1706-F1742 HydrophobicContact CG-CB 4.37Å; R1706-F1742 HydrophobicContact CG-CD1 4.1Å; R1706-F1742 HydrophobicContact CG-CD2 4.36Å; R1706-F1742 HydrophobicContact CG-CG 4.03Å |
| 1707 | I | 87.1 | Confident | 85.4 | Confident | 67 Ų | 67 | 37.3 Ų | 37.3 | 34% | 0.344 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65 | -48 | -176.6 | -66.1 | 168.3 | 0 | 0 | 0 | 110.8 | Q1703 F1704 V1705 H1710 Q1711 | Q1703-I1707 HydrophobicContact CG-CD1 3.97Å; Q1703-I1707 WeakPolarHBondContact O-CG1 3.43Å; Q1703-I1707 PolarHBondContact O-N 2.86Å; F1704-I1707 PolarHBondContact O-N 2.69Å; V1705-I1707 PolarHBondContact O-N 3.09Å; I1707-H1710 PolarHBondContact O-N 3Å; I1707-Q1711 HydrophobicContact CG2-CG 4.38Å; I1707-Q1711 WeakPolarHBondContact O-CB 3.48Å; I1707-Q1711 VanDerWaalsContact O-CG 3.29Å; I1707-Q1711 WeakPolarHBondContact O-CG 3.23Å; I1707-Q1711 PolarHBondContact O-N 2.97Å |
| 1708 | V | 87.6 | Confident | 85.5 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.03 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.9 | -42.4 | -177.9 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | I1656 L1667 L1671 F1704 L1712 | I1656-V1708 HydrophobicContact CD1-CG2 4.1Å; L1667-V1708 HydrophobicContact CD1-CG1 3.98Å; L1671-V1708 HydrophobicContact CD2-CB 4.44Å; L1671-V1708 HydrophobicContact CD2-CG1 3.94Å; F1704-V1708 HydrophobicContact CD1-CG2 4.39Å; F1704-V1708 HydrophobicContact CD2-CG2 4.2Å; F1704-V1708 HydrophobicContact CE1-CG2 4.15Å; F1704-V1708 HydrophobicContact CE2-CG2 3.95Å; F1704-V1708 HydrophobicContact CG-CG2 4.42Å; F1704-V1708 HydrophobicContact CZ-CG2 3.93Å; F1704-V1708 WeakPolarHBondContact O-CB 3.33Å; F1704-V1708 WeakPolarHBondContact O-CG2 3.21Å; F1704-V1708 PolarHBondContact O-N 3.22Å; V1708-L1712 HydrophobicContact CG1-CD1 3.82Å; V1708-L1712 WeakPolarHBondContact O-CB 3.35Å; V1708-L1712 WeakPolarHBondContact O-CG 3.37Å; V1708-L1712 PolarHBondContact O-N 3.45Å; V1708-L1712 VanDerWaalsContact O-N 3.17Å |
| 1709 | L | 87.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66 | -42.3 | 177.3 | -67.5 | -178.7 | 0 | 0 | 0 | 112.2 | V1705 A1713 L1717 F1718 I1735 L1739 L1745 | V1705-L1709 HydrophobicContact CG1-CD1 3.79Å; V1705-L1709 HydrophobicContact CG1-CG 4.37Å; V1705-L1709 WeakPolarHBondContact O-CB 3.23Å; V1705-L1709 VanDerWaalsContact O-CG 3.26Å; V1705-L1709 WeakPolarHBondContact O-CG 3.26Å; V1705-L1709 PolarHBondContact O-N 3.26Å; L1709-A1713 WeakPolarHBondContact O-CB 3.44Å; L1709-A1713 PolarHBondContact O-N 3.38Å; L1709-L1717 HydrophobicContact CD2-CD2 3.67Å; L1709-F1718 HydrophobicContact CD2-CE1 4.27Å; L1709-I1735 HydrophobicContact CD1-CG2 4.13Å; L1709-L1739 HydrophobicContact CD1-CD1 4.04Å; L1709-L1739 HydrophobicContact CD1-CD2 4.5Å; L1709-L1745 HydrophobicContact CB-CD2 3.79Å |
| 1710 | H | 87.8 | Confident | 85.3 | Confident | 60 Ų | 60 | 40.7 Ų | 40.7 | 28% | 0.278 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.4 | -46.9 | 178.9 | -178.3 | -158 | 0 | 0 | 0 | 112 | R1706 I1707 L1712 F1742 E1744 L1745 | R1706-H1710 VanDerWaalsContact O-CB 3.31Å; R1706-H1710 WeakPolarHBondContact O-CB 3.48Å; R1706-H1710 PolarHBondContact O-N 3.33Å; I1707-H1710 PolarHBondContact O-N 3Å; H1710-L1712 VanDerWaalsContact C-N 3.35Å; H1710-L1712 PolarHBondContact O-N 3.41Å; H1710-F1742 HydrophobicContact CB-CE1 4.16Å; H1710-E1744 IonicContact CE1-OE2 3.58Å; H1710-E1744 PolarHBondContact CE1-OE2 3.09Å; H1710-E1744 IonicContact ND1-OE2 2.79Å; H1710-E1744 PolarHBondContact ND1-OE2 3.24Å; H1710-L1745 HydrophobicContact CB-CB 4.18Å; H1710-L1745 HydrophobicContact CB-CD2 4.39Å |
| 1711 | Q | 82.8 | Confident | 85.2 | Confident | 118 Ų | 118 | 39.4 Ų | 39.4 | 55% | 0.551 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -70.3 | -28.2 | -177.3 | -67.4 | -66.4 | -21.7 | 0 | 0 | 113.6 | I1707 | I1707-Q1711 HydrophobicContact CG2-CG 4.38Å; I1707-Q1711 WeakPolarHBondContact O-CB 3.48Å; I1707-Q1711 VanDerWaalsContact O-CG 3.29Å; I1707-Q1711 WeakPolarHBondContact O-CG 3.23Å; I1707-Q1711 PolarHBondContact O-N 2.97Å |
| 1712 | L | 82.5 | Confident | 85.1 | Confident | 29 Ų | 29 | 39.5 Ų | 39.5 | 15% | 0.152 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -99.1 | -8.9 | -178.2 | -63.2 | -178.9 | 0 | 0 | 0 | 114.3 | L1667 V1708 H1710 N1715 L1717 | L1667-L1712 HydrophobicContact CD1-CD1 3.86Å; L1667-L1712 HydrophobicContact CD2-CD1 3.53Å; L1667-L1712 HydrophobicContact CG-CD1 4.34Å; V1708-L1712 HydrophobicContact CG1-CD1 3.82Å; V1708-L1712 WeakPolarHBondContact O-CB 3.35Å; V1708-L1712 WeakPolarHBondContact O-CG 3.37Å; V1708-L1712 PolarHBondContact O-N 3.45Å; V1708-L1712 VanDerWaalsContact O-N 3.17Å; H1710-L1712 VanDerWaalsContact C-N 3.35Å; H1710-L1712 PolarHBondContact O-N 3.41Å; L1712-N1715 WeakPolarHBondContact O-CB 3.28Å; L1712-N1715 PolarHBondContact O-N 3.05Å; L1712-L1717 HydrophobicContact CB-CB 4.14Å; L1712-L1717 HydrophobicContact CB-CD2 3.81Å; L1712-L1717 HydrophobicContact CB-CG 4.44Å; L1712-L1717 HydrophobicContact CD1-CD2 4.45Å; L1712-L1717 WeakPolarHBondContact O-CB 3.48Å |
| 1713 | A | 81.9 | Confident | 85 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 6% | 0.058 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -45.1 | -50.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1709 N1715 R1716 F1718 | L1709-A1713 WeakPolarHBondContact O-CB 3.44Å; L1709-A1713 PolarHBondContact O-N 3.38Å; A1713-N1715 PolarHBondContact O-N 2.64Å; A1713-N1715 VanDerWaalsContact O-N 3.11Å; A1713-R1716 PolarHBondContact O-N 2.88Å; A1713-F1718 HydrophobicContact CB-CE2 3.66Å; A1713-F1718 HydrophobicContact CB-CZ 4.2Å |
| 1714 | P | 78.5 | Confident | 84.8 | Confident | 100 Ų | 100 | 39.4 Ų | 39.4 | 65% | 0.649 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -67.9 | -9.5 | 179.4 | 27.4 | -36.7 | 0 | 0 | 0 | 114.8 | ||
| 1715 | N | 78.2 | Confident | 84 | Confident | 117 Ų | 117 | 45.6 Ų | 45.6 | 63% | 0.626 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -96.7 | 24.1 | 178.3 | -62.7 | -50.9 | 0 | 0 | 0 | 112.7 | L1712 A1713 L1717 | L1712-N1715 WeakPolarHBondContact O-CB 3.28Å; L1712-N1715 PolarHBondContact O-N 3.05Å; A1713-N1715 PolarHBondContact O-N 2.64Å; A1713-N1715 VanDerWaalsContact O-N 3.11Å; N1715-L1717 PolarHBondContact O-N 3.34Å |
| 1716 | R | 81.1 | Confident | 83.3 | Confident | 96 Ų | 96 | 46.9 Ų | 46.9 | 36% | 0.362 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 32.1 | -177.8 | -54.4 | -159 | 162.6 | -175.8 | -3.9 | 114.7 | A1713 F1718 A1719 S1720 D1757 D1760 S1761 | A1713-R1716 PolarHBondContact O-N 2.88Å; R1716-F1718 VanDerWaalsContact C-N 3.25Å; R1716-F1718 PolarHBondContact O-N 3.41Å; R1716-A1719 PolarHBondContact O-N 2.94Å; R1716-S1720 PolarHBondContact O-N 2.79Å; R1716-D1757 WeakPolarHBondContact CA-OD2 2.95Å; R1716-D1757 VanDerWaalsContact CD-OD1 3.3Å; R1716-D1757 WeakPolarHBondContact CD-OD1 3.26Å; R1716-D1757 VanDerWaalsContact CG-OD1 3.23Å; R1716-D1757 WeakPolarHBondContact CG-OD1 2.78Å; R1716-D1757 IonicContact CZ-OD1 3.66Å; R1716-D1757 IonicContact NE-OD1 3.43Å; R1716-D1757 PolarHBondContact NE-OD1 2.87Å; R1716-D1757 VanDerWaalsContact NE-OD1 3.15Å; R1716-D1760 IonicContact NH2-OD2 3.4Å; R1716-D1760 PolarHBondContact NH2-OD2 3.07Å; R1716-S1761 PolarHBondContact NH1-OG 3.26Å |
| 1717 | L | 83.7 | Confident | 82.3 | Confident | 15 Ų | 15 | 53.3 Ų | 53.3 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.2 | -43.6 | -179.8 | 179 | 66.7 | 0 | 0 | 0 | 111.3 | L1667 L1709 L1712 N1715 A1719 S1720 L1721 | L1667-L1717 HydrophobicContact CD2-CD1 4.01Å; L1709-L1717 HydrophobicContact CD2-CD2 3.67Å; L1712-L1717 HydrophobicContact CB-CB 4.14Å; L1712-L1717 HydrophobicContact CB-CD2 3.81Å; L1712-L1717 HydrophobicContact CB-CG 4.44Å; L1712-L1717 HydrophobicContact CD1-CD2 4.45Å; L1712-L1717 WeakPolarHBondContact O-CB 3.48Å; N1715-L1717 PolarHBondContact O-N 3.34Å; L1717-A1719 PolarHBondContact O-N 3.03Å; L1717-S1720 PolarHBondContact O-N 3.47Å; L1717-S1720 PolarHBondContact O-OG 2.82Å; L1717-L1721 VanDerWaalsContact O-CB 3.31Å; L1717-L1721 WeakPolarHBondContact O-CB 3.37Å; L1717-L1721 PolarHBondContact O-N 3.04Å |
| 1718 | F | 87.1 | Confident | 81.7 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.4 | -39.6 | -174.2 | -57.8 | -59.2 | 0 | 0 | 0 | 113.2 | L1709 A1713 R1716 S1720 L1721 F1722 L1745 V1750 H1753 L1754 | L1709-F1718 HydrophobicContact CD2-CE1 4.27Å; A1713-F1718 HydrophobicContact CB-CE2 3.66Å; A1713-F1718 HydrophobicContact CB-CZ 4.2Å; R1716-F1718 VanDerWaalsContact C-N 3.25Å; R1716-F1718 PolarHBondContact O-N 3.41Å; F1718-S1720 PolarHBondContact O-N 2.83Å; F1718-L1721 PolarHBondContact O-N 3.38Å; F1718-F1722 HydrophobicContact CB-CD2 4.49Å; F1718-F1722 WeakPolarHBondContact O-CB 3.47Å; F1718-F1722 VanDerWaalsContact O-CD2 3.31Å; F1718-F1722 WeakPolarHBondContact O-CD2 3.49Å; F1718-F1722 PolarHBondContact O-N 3.4Å; F1718-L1745 HydrophobicContact CZ-CD1 4.37Å; F1718-L1745 HydrophobicContact CZ-CD2 3.95Å; F1718-V1750 HydrophobicContact CD1-CG1 3.76Å; F1718-V1750 HydrophobicContact CE1-CB 4.39Å; F1718-V1750 HydrophobicContact CE1-CG1 3.87Å; F1718-V1750 HydrophobicContact CE1-CG2 3.98Å; F1718-V1750 HydrophobicContact CG-CG1 4.29Å; F1718-V1750 HydrophobicContact CZ-CG1 4.46Å; F1718-V1750 HydrophobicContact CZ-CG2 4.02Å; F1718-H1753 HydrophobicContact CD2-CB 3.66Å; F1718-H1753 HydrophobicContact CE2-CB 4.07Å; F1718-L1754 HydrophobicContact CB-CB 4.34Å |
| 1719 | A | 83.3 | Confident | 80.9 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 21% | 0.207 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56 | -51 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R1716 L1717 L1721 E1723 D1757 | R1716-A1719 PolarHBondContact O-N 2.94Å; L1717-A1719 PolarHBondContact O-N 3.03Å; A1719-L1721 VanDerWaalsContact C-N 3.33Å; A1719-L1721 PolarHBondContact O-N 2.65Å; A1719-E1723 WeakPolarHBondContact O-CB 3.46Å; A1719-E1723 PolarHBondContact O-N 2.74Å; A1719-E1723 VanDerWaalsContact O-N 3.1Å; A1719-D1757 HydrophobicContact CB-CB 4.11Å |
| 1720 | S | 81.4 | Confident | 80.5 | Confident | 70 Ų | 70 | 62.1 Ų | 62.1 | 49% | 0.49 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.1 | -32.1 | 178.8 | 69.9 | 0 | 0 | 0 | 0 | 113.9 | R1716 L1717 F1718 S1724 | R1716-S1720 PolarHBondContact O-N 2.79Å; L1717-S1720 PolarHBondContact O-N 3.47Å; L1717-S1720 PolarHBondContact O-OG 2.82Å; F1718-S1720 PolarHBondContact O-N 2.83Å; S1720-S1724 PolarHBondContact O-N 3.47Å |
| 1721 | L | 84.4 | Confident | 80.4 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 4% | 0.037 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -74.8 | -44.1 | -178.7 | -172.3 | 66.5 | 0 | 0 | 0 | 111.5 | L1668 L1717 F1718 A1719 E1723 S1724 I1726 F1731 I1735 | L1668-L1721 HydrophobicContact CD1-CD1 4.13Å; L1717-L1721 VanDerWaalsContact O-CB 3.31Å; L1717-L1721 WeakPolarHBondContact O-CB 3.37Å; L1717-L1721 PolarHBondContact O-N 3.04Å; F1718-L1721 PolarHBondContact O-N 3.38Å; A1719-L1721 VanDerWaalsContact C-N 3.33Å; A1719-L1721 PolarHBondContact O-N 2.65Å; L1721-E1723 VanDerWaalsContact C-N 3.31Å; L1721-S1724 PolarHBondContact O-N 3Å; L1721-S1724 PolarHBondContact O-OG 3.26Å; L1721-I1726 WeakPolarHBondContact O-CD1 3.48Å; L1721-F1731 HydrophobicContact CD1-CE1 4.4Å; L1721-F1731 HydrophobicContact CD1-CZ 4.04Å; L1721-F1731 HydrophobicContact CD2-CE1 4.38Å; L1721-F1731 HydrophobicContact CD2-CZ 4.45Å; L1721-F1731 HydrophobicContact CG-CE1 4.46Å; L1721-I1735 HydrophobicContact CD2-CD1 4.32Å |
| 1722 | F | 87.3 | Confident | 80.6 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 1% | 0.013 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -75.7 | -18.9 | 178.3 | -79.9 | -103.3 | 0 | 0 | 0 | 112.8 | F1718 F1732 V1750 L1754 I1769 N1772 L1773 Y1776 | F1718-F1722 HydrophobicContact CB-CD2 4.49Å; F1718-F1722 WeakPolarHBondContact O-CB 3.47Å; F1718-F1722 VanDerWaalsContact O-CD2 3.31Å; F1718-F1722 WeakPolarHBondContact O-CD2 3.49Å; F1718-F1722 PolarHBondContact O-N 3.4Å; F1722-F1732 HydrophobicContact CD1-CE1 4.15Å; F1722-F1732 HydrophobicContact CD1-CZ 4.41Å; F1722-F1732 HydrophobicContact CE1-CD1 4.25Å; F1722-F1732 AromaticContact CE1-CE1 3.68Å; F1722-F1732 HydrophobicContact CE1-CE1 3.68Å; F1722-F1732 HydrophobicContact CE1-CZ 4.3Å; F1722-F1732 HydrophobicContact CE2-CE1 4.3Å; F1722-F1732 HydrophobicContact CZ-CD1 4.21Å; F1722-F1732 AromaticContact CZ-CE1 3.79Å; F1722-F1732 HydrophobicContact CZ-CE1 3.79Å; F1722-V1750 HydrophobicContact CE2-CG1 4Å; F1722-V1750 HydrophobicContact CZ-CG1 4.24Å; F1722-L1754 HydrophobicContact CB-CD1 4.22Å; F1722-L1754 HydrophobicContact CB-CD2 4.22Å; F1722-L1754 HydrophobicContact CD1-CD2 3.89Å; F1722-L1754 HydrophobicContact CD2-CD2 4.11Å; F1722-L1754 HydrophobicContact CE1-CD2 4.28Å; F1722-L1754 HydrophobicContact CE2-CD2 4.46Å; F1722-L1754 HydrophobicContact CG-CD1 4.46Å; F1722-L1754 HydrophobicContact CG-CD2 3.8Å; F1722-I1769 HydrophobicContact CB-CG1 4.28Å; F1722-I1769 HydrophobicContact CB-CG2 4.28Å; F1722-I1769 WeakPolarHBondContact O-CA 3.37Å; F1722-N1772 HydrophobicContact CD1-CB 3.73Å; F1722-N1772 HydrophobicContact CE1-CB 4.4Å; F1722-N1772 HydrophobicContact CG-CB 4.5Å; F1722-N1772 PolarHBondContact O-ND2 2.82Å; F1722-L1773 HydrophobicContact CD1-CB 4.3Å; F1722-L1773 HydrophobicContact CE1-CB 4.37Å; F1722-L1773 HydrophobicContact CE1-CD1 4.44Å; F1722-Y1776 HydrophobicContact CE1-CG 4.25Å; F1722-Y1776 HydrophobicContact CZ-CD1 4.09Å; F1722-Y1776 HydrophobicContact CZ-CD2 4.44Å; F1722-Y1776 AromaticContact CZ-CG 3.94Å; F1722-Y1776 HydrophobicContact CZ-CG 3.94Å |
| 1723 | E | 86.3 | Confident | 80.8 | Confident | 59 Ų | 59 | 57.4 Ų | 57.4 | 28% | 0.276 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -78.9 | -20.2 | 168.7 | -170.4 | 162.2 | -140.8 | 0 | 0 | 113 | A1719 L1721 T1764 N1765 I1769 | A1719-E1723 WeakPolarHBondContact O-CB 3.46Å; A1719-E1723 PolarHBondContact O-N 2.74Å; A1719-E1723 VanDerWaalsContact O-N 3.1Å; L1721-E1723 VanDerWaalsContact C-N 3.31Å; E1723-T1764 WeakPolarHBondContact OE1-CA 3.48Å; E1723-T1764 WeakPolarHBondContact OE1-CB 3.47Å; E1723-T1764 PolarHBondContact OE1-N 3.47Å; E1723-T1764 VanDerWaalsContact OE1-N 3.14Å; E1723-T1764 PolarHBondContact OE1-OG1 2.78Å; E1723-N1765 HydrophobicContact CG-CB 4.21Å; E1723-N1765 PolarHBondContact OE1-N 2.93Å; E1723-I1769 HydrophobicContact CB-CD1 4.09Å; E1723-I1769 HydrophobicContact CB-CG1 4.04Å; E1723-I1769 HydrophobicContact CG-CD1 4.48Å |
| 1724 | S | 82.2 | Confident | 80.9 | Confident | 23 Ų | 23 | 57.3 Ų | 57.3 | 16% | 0.161 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -74 | 144.5 | -179.4 | 75.8 | 0 | 0 | 0 | 0 | 113.4 | S1720 L1721 I1726 N1772 | S1720-S1724 PolarHBondContact O-N 3.47Å; L1721-S1724 PolarHBondContact O-N 3Å; L1721-S1724 PolarHBondContact O-OG 3.26Å; S1724-I1726 PolarHBondContact O-N 3.38Å; S1724-I1726 VanDerWaalsContact O-N 3.09Å; S1724-I1726 WeakPolarHBondContact OG-CG1 3.38Å; S1724-N1772 PolarHBondContact O-ND2 2.87Å |
| 1725 | D | 76 | Confident | 81.3 | Confident | 134 Ų | 134 | 52.8 Ų | 52.8 | 72% | 0.717 | 28% | 0.277 | S | S | * | . | trans | -78.9 | 90.2 | -179.9 | -170.2 | 15.6 | 0 | 0 | 0 | 110.9 | M1727 | D1725-M1727 PolarHBondContact O-N 2.96Š| ||
| 1726 | I | 73.7 | Confident | 81.7 | Confident | 28 Ų | 28 | 47.3 Ų | 47.3 | 14% | 0.144 | 25% | 0.248 | C | C | . | . | trans | -90.6 | 94.3 | -174.1 | -63.8 | 156.4 | 0 | 0 | 0 | 109.8 | L1721 S1724 E1728 F1731 F1732 | L1721-I1726 WeakPolarHBondContact O-CD1 3.48Å; S1724-I1726 PolarHBondContact O-N 3.38Å; S1724-I1726 VanDerWaalsContact O-N 3.09Å; S1724-I1726 WeakPolarHBondContact OG-CG1 3.38Å; I1726-E1728 PolarHBondContact O-N 3.5Å; I1726-E1728 VanDerWaalsContact O-N 3.12Å; I1726-F1731 HydrophobicContact CD1-CD1 3.88Å; I1726-F1731 HydrophobicContact CD1-CE1 3.59Å; I1726-F1731 HydrophobicContact CD1-CZ 4.25Å; I1726-F1731 HydrophobicContact CG1-CD1 4.49Å; I1726-F1731 HydrophobicContact CG1-CE1 4.36Å; I1726-F1731 HydrophobicContact CG2-CB 3.62Å; I1726-F1731 HydrophobicContact CG2-CD1 3.68Å; I1726-F1731 HydrophobicContact CG2-CD2 4.02Å; I1726-F1731 HydrophobicContact CG2-CE1 4.31Å; I1726-F1731 HydrophobicContact CG2-CG 3.51Å; I1726-F1732 HydrophobicContact CD1-CE1 4.21Å; I1726-F1732 HydrophobicContact CD1-CE2 4.18Å; I1726-F1732 HydrophobicContact CD1-CZ 3.53Å | ||
| 1727 | M | 68 | Low | 81.9 | Confident | 156 Ų | 156 | 44.2 Ų | 44.2 | 77% | 0.768 | 24% | 0.241 | S | C | * | . | trans | -69.2 | -2.4 | 179.1 | -62 | -62.7 | -69.1 | 0 | 0 | 115.1 | D1725 | D1725-M1727 PolarHBondContact O-N 2.96Š| ||
| 1728 | E | 74.5 | Confident | 82 | Confident | 53 Ų | 53 | 43.5 Ų | 43.5 | 25% | 0.248 | 24% | 0.237 | C | C | . | . | trans | -97.8 | 112.2 | -174.6 | -78.9 | -172.4 | -150.2 | 0 | 0 | 113.4 | V1672 R1676 I1726 Q1730 F1731 | V1672-E1728 VanDerWaalsContact CG1-OE1 3.23Å; V1672-E1728 WeakPolarHBondContact CG1-OE1 3.3Å; R1676-E1728 WeakPolarHBondContact CG-OE2 3.41Å; R1676-E1728 IonicContact CZ-OE1 3.22Å; R1676-E1728 IonicContact NE-OE1 3.28Å; R1676-E1728 PolarHBondContact NE-OE1 3.2Å; R1676-E1728 IonicContact NE-OE2 3.55Å; R1676-E1728 IonicContact NH2-OE1 3.82Å; R1676-E1728 PolarHBondContact NH2-OE1 3.31Å; I1726-E1728 PolarHBondContact O-N 3.5Å; I1726-E1728 VanDerWaalsContact O-N 3.12Å; E1728-Q1730 PolarHBondContact O-N 3.36Å; E1728-F1731 HydrophobicContact CB-CB 4.19Å; E1728-F1731 VanDerWaalsContact O-CB 3.25Å; E1728-F1731 WeakPolarHBondContact O-CB 3.5Å; E1728-F1731 PolarHBondContact O-N 3.22Å; E1728-F1731 VanDerWaalsContact O-N 3.1Å | ||
| 1729 | P | 69.9 | Low | 82 | Confident | 114 Ų | 114 | 43.4 Ų | 43.4 | 74% | 0.74 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -12.7 | -168.1 | 28 | -36.8 | 0 | 0 | 0 | 114.9 | ||
| 1730 | Q | 80.5 | Confident | 81.9 | Confident | 89 Ų | 89 | 44 Ų | 44 | 42% | 0.416 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 7.2 | 177.5 | -60.2 | -163.1 | 17.8 | 0 | 0 | 113.5 | N1679 E1728 T1734 | N1679-Q1730 PolarHBondContact ND2-OE1 3.05Å; E1728-Q1730 PolarHBondContact O-N 3.36Å; Q1730-T1734 WeakPolarHBondContact O-CB 3.4Å; Q1730-T1734 PolarHBondContact O-N 3.38Å; Q1730-T1734 PolarHBondContact O-OG1 3.49Å |
| 1731 | F | 85.6 | Confident | 81.9 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.6 | -56.7 | -177.5 | -177.7 | -95.6 | 0 | 0 | 0 | 112.2 | V1672 F1675 L1721 I1726 E1728 K1733 T1734 I1735 | V1672-F1731 HydrophobicContact CG2-CE2 4.2Å; F1675-F1731 HydrophobicContact CB-CD2 4.5Å; F1675-F1731 HydrophobicContact CD2-CD2 4.03Å; F1675-F1731 AromaticContact CD2-CE2 3.32Å; F1675-F1731 HydrophobicContact CD2-CE2 3.32Å; F1675-F1731 AromaticContact CD2-CZ 3.98Å; F1675-F1731 HydrophobicContact CD2-CZ 3.98Å; F1675-F1731 AromaticContact CE2-CE2 3.61Å; F1675-F1731 HydrophobicContact CE2-CE2 3.61Å; F1675-F1731 AromaticContact CE2-CZ 3.75Å; F1675-F1731 HydrophobicContact CE2-CZ 3.75Å; F1675-F1731 HydrophobicContact CG-CD2 4.32Å; F1675-F1731 HydrophobicContact CG-CE2 4.04Å; F1675-F1731 HydrophobicContact CZ-CZ 4.46Å; L1721-F1731 HydrophobicContact CD1-CE1 4.4Å; L1721-F1731 HydrophobicContact CD1-CZ 4.04Å; L1721-F1731 HydrophobicContact CD2-CE1 4.38Å; L1721-F1731 HydrophobicContact CD2-CZ 4.45Å; L1721-F1731 HydrophobicContact CG-CE1 4.46Å; I1726-F1731 HydrophobicContact CD1-CD1 3.88Å; I1726-F1731 HydrophobicContact CD1-CE1 3.59Å; I1726-F1731 HydrophobicContact CD1-CZ 4.25Å; I1726-F1731 HydrophobicContact CG1-CD1 4.49Å; I1726-F1731 HydrophobicContact CG1-CE1 4.36Å; I1726-F1731 HydrophobicContact CG2-CB 3.62Å; I1726-F1731 HydrophobicContact CG2-CD1 3.68Å; I1726-F1731 HydrophobicContact CG2-CD2 4.02Å; I1726-F1731 HydrophobicContact CG2-CE1 4.31Å; I1726-F1731 HydrophobicContact CG2-CG 3.51Å; E1728-F1731 HydrophobicContact CB-CB 4.19Å; E1728-F1731 VanDerWaalsContact O-CB 3.25Å; E1728-F1731 WeakPolarHBondContact O-CB 3.5Å; E1728-F1731 PolarHBondContact O-N 3.22Å; E1728-F1731 VanDerWaalsContact O-N 3.1Å; F1731-K1733 PolarHBondContact O-N 3Å; F1731-T1734 WeakPolarHBondContact O-CB 3.11Å; F1731-T1734 PolarHBondContact O-N 3.01Å; F1731-T1734 VanDerWaalsContact O-N 3.12Å; F1731-I1735 HydrophobicContact CD1-CD1 3.81Å; F1731-I1735 HydrophobicContact CE1-CD1 3.27Å; F1731-I1735 HydrophobicContact CE1-CG1 4.44Å; F1731-I1735 HydrophobicContact CZ-CD1 3.67Å; F1731-I1735 PolarHBondContact O-N 2.92Å |
| 1732 | F | 87.4 | Confident | 82 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 5% | 0.048 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.8 | -38.8 | -178.3 | -71.8 | -59.1 | 0 | 0 | 0 | 113.3 | F1722 I1726 T1734 I1735 A1736 N1772 Y1776 Y1779 | F1722-F1732 HydrophobicContact CD1-CE1 4.15Å; F1722-F1732 HydrophobicContact CD1-CZ 4.41Å; F1722-F1732 HydrophobicContact CE1-CD1 4.25Å; F1722-F1732 AromaticContact CE1-CE1 3.68Å; F1722-F1732 HydrophobicContact CE1-CE1 3.68Å; F1722-F1732 HydrophobicContact CE1-CZ 4.3Å; F1722-F1732 HydrophobicContact CE2-CE1 4.3Å; F1722-F1732 HydrophobicContact CZ-CD1 4.21Å; F1722-F1732 AromaticContact CZ-CE1 3.79Å; F1722-F1732 HydrophobicContact CZ-CE1 3.79Å; I1726-F1732 HydrophobicContact CD1-CE1 4.21Å; I1726-F1732 HydrophobicContact CD1-CE2 4.18Å; I1726-F1732 HydrophobicContact CD1-CZ 3.53Å; F1732-T1734 VanDerWaalsContact C-N 3.3Å; F1732-T1734 PolarHBondContact O-N 3.38Å; F1732-I1735 PolarHBondContact O-N 2.92Å; F1732-A1736 WeakPolarHBondContact O-CB 3.42Å; F1732-A1736 PolarHBondContact O-N 2.9Å; F1732-N1772 HydrophobicContact CE1-CB 4.44Å; F1732-N1772 HydrophobicContact CE2-CB 3.8Å; F1732-N1772 WeakPolarHBondContact CE2-OD1 3.49Å; F1732-N1772 HydrophobicContact CZ-CB 3.53Å; F1732-Y1776 HydrophobicContact CB-CD2 3.92Å; F1732-Y1776 AromaticContact CD1-CD2 3.75Å; F1732-Y1776 HydrophobicContact CD1-CD2 3.75Å; F1732-Y1776 HydrophobicContact CD1-CG 4.18Å; F1732-Y1776 HydrophobicContact CG-CD2 4.24Å; F1732-Y1779 HydrophobicContact CB-CD2 4.37Å |
| 1733 | K | 86.8 | Confident | 81.7 | Confident | 96 Ų | 96 | 53.8 Ų | 53.8 | 42% | 0.417 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.3 | -44.2 | 171.6 | -176.7 | -174.8 | 175 | -166.7 | 0 | 111.6 | F1731 A1736 S1737 Y1779 | F1731-K1733 PolarHBondContact O-N 3Å; K1733-A1736 PolarHBondContact O-N 3.13Å; K1733-S1737 WeakPolarHBondContact O-CB 3.3Å; K1733-S1737 PolarHBondContact O-N 3.49Å; K1733-S1737 PolarHBondContact O-OG 3.01Å; K1733-Y1779 HydrophobicContact CB-CD1 3.84Å; K1733-Y1779 HydrophobicContact CB-CD2 3.83Å; K1733-Y1779 HydrophobicContact CB-CE1 3.92Å; K1733-Y1779 HydrophobicContact CB-CE2 3.88Å; K1733-Y1779 HydrophobicContact CB-CG 3.8Å; K1733-Y1779 HydrophobicContact CD-CD1 4.31Å; K1733-Y1779 HydrophobicContact CD-CE1 4.06Å; K1733-Y1779 HydrophobicContact CG-CD1 3.73Å; K1733-Y1779 HydrophobicContact CG-CE1 3.93Å; K1733-Y1779 HydrophobicContact CG-CG 4.09Å |
| 1734 | T | 83.9 | Confident | 81.5 | Confident | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65 | -48.4 | -179.9 | -53.3 | 0 | 0 | 0 | 0 | 110.6 | F1675 A1678 N1679 Q1730 F1731 F1732 A1736 S1737 C1738 | F1675-T1734 HydrophobicContact CD1-CG2 4.15Å; A1678-T1734 HydrophobicContact CB-CG2 4.11Å; N1679-T1734 HydrophobicContact CB-CG2 4.14Å; Q1730-T1734 WeakPolarHBondContact O-CB 3.4Å; Q1730-T1734 PolarHBondContact O-N 3.38Å; Q1730-T1734 PolarHBondContact O-OG1 3.49Å; F1731-T1734 WeakPolarHBondContact O-CB 3.11Å; F1731-T1734 PolarHBondContact O-N 3.01Å; F1731-T1734 VanDerWaalsContact O-N 3.12Å; F1732-T1734 VanDerWaalsContact C-N 3.3Å; F1732-T1734 PolarHBondContact O-N 3.38Å; T1734-A1736 PolarHBondContact O-N 2.98Å; T1734-S1737 PolarHBondContact O-N 3.02Å; T1734-S1737 PolarHBondContact O-OG 2.76Å; T1734-C1738 PolarHBondContact O-N 3.12Å; T1734-C1738 PolarHBondContact O-SG 3.48Å |
| 1735 | I | 86.4 | Confident | 81.7 | Confident | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.9 | -50.7 | 175.2 | -69.2 | 173.5 | 0 | 0 | 0 | 111.3 | F1675 L1709 L1721 F1731 F1732 S1737 C1738 L1739 Y1776 | F1675-I1735 HydrophobicContact CD1-CG1 4.19Å; F1675-I1735 HydrophobicContact CE1-CB 4.49Å; F1675-I1735 HydrophobicContact CE1-CD1 4.13Å; F1675-I1735 HydrophobicContact CE1-CG1 3.31Å; F1675-I1735 HydrophobicContact CE2-CD1 4.3Å; F1675-I1735 HydrophobicContact CE2-CG1 4.34Å; F1675-I1735 HydrophobicContact CZ-CD1 3.75Å; F1675-I1735 HydrophobicContact CZ-CG1 3.43Å; F1675-I1735 VanDerWaalsContact CZ-CG1 3.43Å; L1709-I1735 HydrophobicContact CD1-CG2 4.13Å; L1721-I1735 HydrophobicContact CD2-CD1 4.32Å; F1731-I1735 HydrophobicContact CD1-CD1 3.81Å; F1731-I1735 HydrophobicContact CE1-CD1 3.27Å; F1731-I1735 HydrophobicContact CE1-CG1 4.44Å; F1731-I1735 HydrophobicContact CZ-CD1 3.67Å; F1731-I1735 PolarHBondContact O-N 2.92Å; F1732-I1735 PolarHBondContact O-N 2.92Å; I1735-S1737 VanDerWaalsContact C-N 3.28Å; I1735-S1737 PolarHBondContact O-N 3.05Å; I1735-C1738 PolarHBondContact O-N 3.17Å; I1735-C1738 VanDerWaalsContact O-N 3.08Å; I1735-L1739 HydrophobicContact CG2-CD1 3.91Å; I1735-L1739 WeakPolarHBondContact O-CG 3.32Å; I1735-L1739 PolarHBondContact O-N 3.46Å; I1735-Y1776 HydrophobicContact CB-CE2 4.12Å; I1735-Y1776 HydrophobicContact CG2-CE2 3.74Å |
| 1736 | A | 85.7 | Confident | 82.2 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 2% | 0.017 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.7 | -42.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1732 K1733 T1734 C1738 L1739 A1740 Y1776 V1780 | F1732-A1736 WeakPolarHBondContact O-CB 3.42Å; F1732-A1736 PolarHBondContact O-N 2.9Å; K1733-A1736 PolarHBondContact O-N 3.13Å; T1734-A1736 PolarHBondContact O-N 2.98Å; A1736-C1738 VanDerWaalsContact C-N 3.34Å; A1736-C1738 PolarHBondContact O-N 3.47Å; A1736-L1739 PolarHBondContact O-N 3.09Å; A1736-A1740 PolarHBondContact O-N 3.07Å; A1736-A1740 VanDerWaalsContact O-N 3.12Å; A1736-Y1776 HydrophobicContact CB-CE2 3.91Å; A1736-V1780 HydrophobicContact CB-CG2 4.5Å |
| 1737 | S | 85.2 | Confident | 83 | Confident | 30 Ų | 30 | 48.1 Ų | 48.1 | 21% | 0.21 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.1 | -27.1 | 176.6 | 77.5 | 0 | 0 | 0 | 0 | 114.8 | K1733 T1734 I1735 | K1733-S1737 WeakPolarHBondContact O-CB 3.3Å; K1733-S1737 PolarHBondContact O-N 3.49Å; K1733-S1737 PolarHBondContact O-OG 3.01Å; T1734-S1737 PolarHBondContact O-N 3.02Å; T1734-S1737 PolarHBondContact O-OG 2.76Å; I1735-S1737 VanDerWaalsContact C-N 3.28Å; I1735-S1737 PolarHBondContact O-N 3.05Å |
| 1738 | C | 85.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -76.7 | -25.7 | 177.1 | -66.1 | 0 | 0 | 0 | 0 | 112.6 | V1705 R1706 T1734 I1735 A1736 | V1705-C1738 HydrophobicContact CG1-CB 3.92Å; R1706-C1738 PolarHBondContact NE-O 3.07Å; T1734-C1738 PolarHBondContact O-N 3.12Å; T1734-C1738 PolarHBondContact O-SG 3.48Å; I1735-C1738 PolarHBondContact O-N 3.17Å; I1735-C1738 VanDerWaalsContact O-N 3.08Å; A1736-C1738 VanDerWaalsContact C-N 3.34Å; A1736-C1738 PolarHBondContact O-N 3.47Å |
| 1739 | L | 87.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -109.5 | 7.6 | -175.4 | -55.9 | 178.6 | 0 | 0 | 0 | 113.3 | R1706 L1709 I1735 A1736 F1742 L1745 S1747 V1750 | R1706-L1739 HydrophobicContact CG-CD2 4.14Å; L1709-L1739 HydrophobicContact CD1-CD1 4.04Å; L1709-L1739 HydrophobicContact CD1-CD2 4.5Å; I1735-L1739 HydrophobicContact CG2-CD1 3.91Å; I1735-L1739 WeakPolarHBondContact O-CG 3.32Å; I1735-L1739 PolarHBondContact O-N 3.46Å; A1736-L1739 PolarHBondContact O-N 3.09Å; L1739-F1742 HydrophobicContact CD2-CD1 4.06Å; L1739-L1745 HydrophobicContact CD1-CD2 4.38Å; L1739-L1745 HydrophobicContact CD2-CD2 4.47Å; L1739-S1747 PolarHBondContact O-N 2.95Å; L1739-S1747 VanDerWaalsContact O-N 3.14Å; L1739-V1750 HydrophobicContact CD1-CG2 3.53Å |
| 1740 | A | 81.9 | Confident | 85.7 | Confident | 38 Ų | 38 | 34.7 Ų | 34.7 | 31% | 0.314 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -69.7 | -33.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1736 F1785 | A1736-A1740 PolarHBondContact O-N 3.07Å; A1736-A1740 VanDerWaalsContact O-N 3.12Å; A1740-F1785 WeakPolarHBondContact O-CE2 3.36Å |
| 1741 | D | 80.9 | Confident | 86.2 | Confident | 90 Ų | 90 | 30.5 Ų | 30.5 | 48% | 0.481 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -109 | -4.4 | -178.7 | 62.8 | -39.4 | 0 | 0 | 0 | 113.4 | R1706 | R1706-D1741 IonicContact CZ-OD1 3.87Å; R1706-D1741 IonicContact CZ-OD2 2.64Å; R1706-D1741 IonicContact NH2-OD1 3.34Å; R1706-D1741 PolarHBondContact NH2-OD1 3.39Å; R1706-D1741 IonicContact NH2-OD2 3.92Å; R1706-D1741 PolarHBondContact NH2-OD2 3.25Å |
| 1742 | F | 86.4 | Confident | 86.4 | Confident | 25 Ų | 25 | 31.6 Ų | 31.6 | 11% | 0.11 | 16% | 0.16 | C | C | . | . | trans | -88.1 | 114.9 | -175.4 | -167.9 | -126.9 | 0 | 0 | 0 | 111.4 | R1706 H1710 L1739 E1744 L1745 N1746 | R1706-F1742 HydrophobicContact CB-CD1 4.12Å; R1706-F1742 HydrophobicContact CB-CE1 4.04Å; R1706-F1742 HydrophobicContact CB-CE2 4.47Å; R1706-F1742 HydrophobicContact CB-CG 4.39Å; R1706-F1742 HydrophobicContact CB-CZ 4.22Å; R1706-F1742 HydrophobicContact CG-CB 4.37Å; R1706-F1742 HydrophobicContact CG-CD1 4.1Å; R1706-F1742 HydrophobicContact CG-CD2 4.36Å; R1706-F1742 HydrophobicContact CG-CG 4.03Å; H1710-F1742 HydrophobicContact CB-CE1 4.16Å; L1739-F1742 HydrophobicContact CD2-CD1 4.06Å; F1742-E1744 HydrophobicContact CE1-CB 3.91Å; F1742-E1744 HydrophobicContact CE2-CB 4.31Å; F1742-E1744 HydrophobicContact CE2-CG 4.21Å; F1742-E1744 HydrophobicContact CZ-CB 3.75Å; F1742-E1744 HydrophobicContact CZ-CG 4.02Å; F1742-E1744 VanDerWaalsContact CZ-OE2 3.3Å; F1742-E1744 WeakPolarHBondContact CZ-OE2 3.45Å; F1742-L1745 HydrophobicContact CD1-CB 4.05Å; F1742-L1745 WeakPolarHBondContact CD1-O 3.36Å; F1742-L1745 HydrophobicContact CE1-CB 4.02Å; F1742-L1745 CarbonylContact O-C 3.55Å; F1742-N1746 WeakPolarHBondContact O-CA 3.32Å; F1742-N1746 PolarHBondContact O-N 3.34Å | ||
| 1743 | Q | 80.6 | Confident | 86.4 | Confident | 169 Ų | 169 | 33.5 Ų | 33.5 | 79% | 0.79 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -82 | -26.7 | -171.6 | -63.9 | -174.3 | 6.8 | 0 | 0 | 114.5 | ||
| 1744 | E | 82.9 | Confident | 86.5 | Confident | 118 Ų | 118 | 29 Ų | 29 | 55% | 0.551 | 15% | 0.149 | S | C | * | . | S | Bend | trans | -71.6 | -41.5 | -179 | -57.2 | 178.1 | 177.7 | 0 | 0 | 111.8 | H1710 F1742 | H1710-E1744 IonicContact CE1-OE2 3.58Å; H1710-E1744 PolarHBondContact CE1-OE2 3.09Å; H1710-E1744 IonicContact ND1-OE2 2.79Å; H1710-E1744 PolarHBondContact ND1-OE2 3.24Å; F1742-E1744 HydrophobicContact CE1-CB 3.91Å; F1742-E1744 HydrophobicContact CE2-CB 4.31Å; F1742-E1744 HydrophobicContact CE2-CG 4.21Å; F1742-E1744 HydrophobicContact CZ-CB 3.75Å; F1742-E1744 HydrophobicContact CZ-CG 4.02Å; F1742-E1744 VanDerWaalsContact CZ-OE2 3.3Å; F1742-E1744 WeakPolarHBondContact CZ-OE2 3.45Å |
| 1745 | L | 86.1 | Confident | 86.7 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -134.9 | 95.1 | 172.2 | 178.9 | 75.5 | 0 | 0 | 0 | 109 | L1709 H1710 F1718 L1739 F1742 Q1749 | L1709-L1745 HydrophobicContact CB-CD2 3.79Å; H1710-L1745 HydrophobicContact CB-CB 4.18Å; H1710-L1745 HydrophobicContact CB-CD2 4.39Å; F1718-L1745 HydrophobicContact CZ-CD1 4.37Å; F1718-L1745 HydrophobicContact CZ-CD2 3.95Å; L1739-L1745 HydrophobicContact CD1-CD2 4.38Å; L1739-L1745 HydrophobicContact CD2-CD2 4.47Å; F1742-L1745 HydrophobicContact CD1-CB 4.05Å; F1742-L1745 WeakPolarHBondContact CD1-O 3.36Å; F1742-L1745 HydrophobicContact CE1-CB 4.02Å; F1742-L1745 CarbonylContact O-C 3.55Å; L1745-Q1749 HydrophobicContact CD1-CB 4.01Å |
| 1746 | N | 87.4 | Confident | 86.6 | Confident | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.027 | 16% | 0.164 | C | C | . | . | trans | -81.2 | 160.4 | 177.8 | 70.8 | 57.8 | 0 | 0 | 0 | 112.7 | F1742 V1748 Q1749 V1750 F1785 N1788 | F1742-N1746 WeakPolarHBondContact O-CA 3.32Å; F1742-N1746 PolarHBondContact O-N 3.34Å; N1746-V1748 PolarHBondContact O-N 3.04Å; N1746-V1748 VanDerWaalsContact O-N 3.09Å; N1746-V1748 WeakPolarHBondContact OD1-CA 3.39Å; N1746-V1748 WeakPolarHBondContact OD1-CB 3.46Å; N1746-V1748 PolarHBondContact OD1-N 3.39Å; N1746-Q1749 VanDerWaalsContact CG-OE1 3.25Å; N1746-Q1749 PolarHBondContact ND2-OE1 3.23Å; N1746-Q1749 WeakPolarHBondContact O-CB 3.46Å; N1746-Q1749 PolarHBondContact O-N 3.39Å; N1746-Q1749 PolarHBondContact OD1-N 3.17Å; N1746-V1750 PolarHBondContact O-N 2.94Å; N1746-F1785 HydrophobicContact CB-CD1 3.64Å; N1746-F1785 HydrophobicContact CB-CD2 3.69Å; N1746-F1785 HydrophobicContact CB-CE1 3.52Å; N1746-F1785 HydrophobicContact CB-CE2 3.6Å; N1746-F1785 HydrophobicContact CB-CG 3.72Å; N1746-F1785 HydrophobicContact CB-CZ 3.5Å; N1746-F1785 VanDerWaalsContact CB-CZ 3.5Å; N1746-F1785 VanDerWaalsContact CG-CG 3.45Å; N1746-F1785 WeakPolarHBondContact ND2-CD1 3.22Å; N1746-N1788 PolarHBondContact ND2-OD1 2.85Å; N1746-N1788 VanDerWaalsContact ND2-OD1 3.13Å | ||
| 1747 | S | 89.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58 | -20.9 | 179.4 | 49.9 | 0 | 0 | 0 | 0 | 115 | L1739 Y1776 | L1739-S1747 PolarHBondContact O-N 2.95Å; L1739-S1747 VanDerWaalsContact O-N 3.14Å; S1747-Y1776 WeakPolarHBondContact O-CE1 3.38Å; S1747-Y1776 PolarHBondContact O-OH 2.92Å |
| 1748 | V | 90.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -85.8 | -33.7 | 176 | -170.6 | 0 | 0 | 0 | 0 | 111.4 | N1746 V1750 I1751 Q1752 V1780 F1785 N1788 W1789 V1792 | N1746-V1748 PolarHBondContact O-N 3.04Å; N1746-V1748 VanDerWaalsContact O-N 3.09Å; N1746-V1748 WeakPolarHBondContact OD1-CA 3.39Å; N1746-V1748 WeakPolarHBondContact OD1-CB 3.46Å; N1746-V1748 PolarHBondContact OD1-N 3.39Å; V1748-V1750 PolarHBondContact O-N 3.11Å; V1748-I1751 WeakPolarHBondContact O-CB 3.48Å; V1748-I1751 PolarHBondContact O-N 2.99Å; V1748-I1751 VanDerWaalsContact O-N 3.07Å; V1748-Q1752 PolarHBondContact O-N 3.21Å; V1748-V1780 HydrophobicContact CG2-CG1 3.88Å; V1748-F1785 HydrophobicContact CB-CB 4.34Å; V1748-F1785 HydrophobicContact CG2-CB 3.96Å; V1748-F1785 HydrophobicContact CG2-CD2 4.26Å; V1748-N1788 HydrophobicContact CB-CB 4.02Å; V1748-N1788 HydrophobicContact CG1-CB 3.77Å; V1748-W1789 HydrophobicContact CG1-CB 4.39Å; V1748-W1789 HydrophobicContact CG1-CD2 3.57Å; V1748-W1789 HydrophobicContact CG1-CE3 3.89Å; V1748-W1789 HydrophobicContact CG1-CG 3.78Å; V1748-W1789 HydrophobicContact CG1-CZ2 4.49Å; V1748-W1789 HydrophobicContact CG1-CZ3 4.45Å; V1748-W1789 HydrophobicContact CG2-CD2 4.15Å; V1748-W1789 HydrophobicContact CG2-CG 4.28Å; V1748-W1789 HydrophobicContact CG2-CZ2 4.1Å; V1748-V1792 HydrophobicContact CG1-CG2 4.02Å |
| 1749 | Q | 87.8 | Confident | 85.8 | Confident | 40 Ų | 40 | 38.8 Ų | 38.8 | 19% | 0.187 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.5 | -27.7 | 174.8 | -77.9 | 170.5 | -59 | 0 | 0 | 112.5 | L1745 N1746 I1751 Q1752 H1753 N1788 | L1745-Q1749 HydrophobicContact CD1-CB 4.01Å; N1746-Q1749 VanDerWaalsContact CG-OE1 3.25Å; N1746-Q1749 PolarHBondContact ND2-OE1 3.23Å; N1746-Q1749 WeakPolarHBondContact O-CB 3.46Å; N1746-Q1749 PolarHBondContact O-N 3.39Å; N1746-Q1749 PolarHBondContact OD1-N 3.17Å; Q1749-I1751 VanDerWaalsContact C-N 3.31Å; Q1749-I1751 PolarHBondContact O-N 2.91Å; Q1749-Q1752 WeakPolarHBondContact O-CB 3.48Å; Q1749-Q1752 PolarHBondContact O-N 2.66Å; Q1749-H1753 PolarHBondContact O-N 2.84Å; Q1749-H1753 PolarHBondContact O-ND1 3.23Å; Q1749-N1788 VanDerWaalsContact CG-ND2 3.29Å; Q1749-N1788 WeakPolarHBondContact CG-ND2 3.42Å |
| 1750 | V | 90.6 | Very high | 85 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.9 | -45.4 | 171 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | F1718 F1722 L1739 N1746 V1748 L1754 Y1776 | F1718-V1750 HydrophobicContact CD1-CG1 3.76Å; F1718-V1750 HydrophobicContact CE1-CB 4.39Å; F1718-V1750 HydrophobicContact CE1-CG1 3.87Å; F1718-V1750 HydrophobicContact CE1-CG2 3.98Å; F1718-V1750 HydrophobicContact CG-CG1 4.29Å; F1718-V1750 HydrophobicContact CZ-CG1 4.46Å; F1718-V1750 HydrophobicContact CZ-CG2 4.02Å; F1722-V1750 HydrophobicContact CE2-CG1 4Å; F1722-V1750 HydrophobicContact CZ-CG1 4.24Å; L1739-V1750 HydrophobicContact CD1-CG2 3.53Å; N1746-V1750 PolarHBondContact O-N 2.94Å; V1748-V1750 PolarHBondContact O-N 3.11Å; V1750-L1754 WeakPolarHBondContact O-CB 3.38Å; V1750-L1754 PolarHBondContact O-N 2.78Å; V1750-L1754 VanDerWaalsContact O-N 3.14Å; V1750-Y1776 HydrophobicContact CB-CE1 4.09Å; V1750-Y1776 HydrophobicContact CG1-CE1 3.96Å |
| 1751 | I | 90.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.2 | -40 | 176.8 | -55.4 | 169.1 | 0 | 0 | 0 | 110.1 | V1748 Q1749 L1754 M1755 L1773 Y1776 M1777 V1780 W1789 V1792 F1796 | V1748-I1751 WeakPolarHBondContact O-CB 3.48Å; V1748-I1751 PolarHBondContact O-N 2.99Å; V1748-I1751 VanDerWaalsContact O-N 3.07Å; Q1749-I1751 VanDerWaalsContact C-N 3.31Å; Q1749-I1751 PolarHBondContact O-N 2.91Å; I1751-L1754 PolarHBondContact O-N 3.3Å; I1751-M1755 HydrophobicContact CG2-CG 4.16Å; I1751-M1755 WeakPolarHBondContact O-CB 3.43Å; I1751-M1755 VanDerWaalsContact O-CG 3.26Å; I1751-M1755 WeakPolarHBondContact O-CG 3.27Å; I1751-M1755 PolarHBondContact O-N 2.81Å; I1751-L1773 HydrophobicContact CG1-CD1 4.18Å; I1751-L1773 HydrophobicContact CG2-CD1 4.18Å; I1751-Y1776 HydrophobicContact CD1-CD1 4.33Å; I1751-Y1776 HydrophobicContact CD1-CE1 4.33Å; I1751-Y1776 HydrophobicContact CG1-CD1 4Å; I1751-Y1776 HydrophobicContact CG1-CE1 3.93Å; I1751-M1777 HydrophobicContact CD1-CG 3.85Å; I1751-V1780 HydrophobicContact CD1-CG2 4.3Å; I1751-W1789 HydrophobicContact CD1-CH2 3.8Å; I1751-W1789 HydrophobicContact CD1-CZ3 4.05Å; I1751-V1792 HydrophobicContact CB-CG1 4.41Å; I1751-V1792 HydrophobicContact CB-CG2 4.26Å; I1751-V1792 HydrophobicContact CG2-CG1 3.62Å; I1751-V1792 HydrophobicContact CG2-CG2 4.19Å; I1751-F1796 HydrophobicContact CG2-CE2 4.02Å; I1751-F1796 HydrophobicContact CG2-CZ 4.38Å |
| 1752 | Q | 89.7 | Confident | 83.5 | Confident | 26 Ų | 26 | 46.6 Ų | 46.6 | 12% | 0.121 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.9 | -53.7 | 177.7 | -170.7 | -171.4 | -30.3 | 0 | 0 | 111.6 | V1748 Q1749 L1754 M1755 E1756 N1788 I1791 V1792 | V1748-Q1752 PolarHBondContact O-N 3.21Å; Q1749-Q1752 WeakPolarHBondContact O-CB 3.48Å; Q1749-Q1752 PolarHBondContact O-N 2.66Å; Q1752-L1754 PolarHBondContact O-N 3.34Å; Q1752-M1755 PolarHBondContact O-N 3.32Å; Q1752-E1756 VanDerWaalsContact CG-OE1 3.29Å; Q1752-E1756 WeakPolarHBondContact CG-OE1 3.46Å; Q1752-E1756 PolarHBondContact NE2-OE1 2.97Å; Q1752-E1756 WeakPolarHBondContact O-CG 3.45Å; Q1752-E1756 PolarHBondContact O-N 3.47Å; Q1752-N1788 PolarHBondContact OE1-ND2 3.14Å; Q1752-N1788 VanDerWaalsContact OE1-ND2 3.08Å; Q1752-I1791 HydrophobicContact CG-CG2 4.04Å; Q1752-V1792 HydrophobicContact CB-CG2 3.91Å |
| 1753 | H | 87.8 | Confident | 82.5 | Confident | 51 Ų | 51 | 47.1 Ų | 47.1 | 24% | 0.236 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62 | -41.6 | 179.3 | -71.3 | 87.8 | 0 | 0 | 0 | 112 | F1718 Q1749 M1755 E1756 D1757 | F1718-H1753 HydrophobicContact CD2-CB 3.66Å; F1718-H1753 HydrophobicContact CE2-CB 4.07Å; Q1749-H1753 PolarHBondContact O-N 2.84Å; Q1749-H1753 PolarHBondContact O-ND1 3.23Å; H1753-M1755 VanDerWaalsContact C-N 3.33Å; H1753-M1755 PolarHBondContact O-N 3.02Å; H1753-E1756 PolarHBondContact O-N 3.47Å; H1753-D1757 WeakPolarHBondContact O-CB 3.33Å; H1753-D1757 PolarHBondContact O-N 3.01Å |
| 1754 | L | 89.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 175.9 | -179.9 | 65.4 | 0 | 0 | 0 | 111.8 | F1718 F1722 V1750 I1751 Q1752 D1757 L1758 I1769 L1773 | F1718-L1754 HydrophobicContact CB-CB 4.34Å; F1722-L1754 HydrophobicContact CB-CD1 4.22Å; F1722-L1754 HydrophobicContact CB-CD2 4.22Å; F1722-L1754 HydrophobicContact CD1-CD2 3.89Å; F1722-L1754 HydrophobicContact CD2-CD2 4.11Å; F1722-L1754 HydrophobicContact CE1-CD2 4.28Å; F1722-L1754 HydrophobicContact CE2-CD2 4.46Å; F1722-L1754 HydrophobicContact CG-CD1 4.46Å; F1722-L1754 HydrophobicContact CG-CD2 3.8Å; V1750-L1754 WeakPolarHBondContact O-CB 3.38Å; V1750-L1754 PolarHBondContact O-N 2.78Å; V1750-L1754 VanDerWaalsContact O-N 3.14Å; I1751-L1754 PolarHBondContact O-N 3.3Å; Q1752-L1754 PolarHBondContact O-N 3.34Å; L1754-D1757 PolarHBondContact O-N 3.01Å; L1754-L1758 HydrophobicContact CD1-CD1 4.37Å; L1754-L1758 HydrophobicContact CD1-CG 4.45Å; L1754-L1758 HydrophobicContact CG-CD1 4.1Å; L1754-L1758 WeakPolarHBondContact O-CB 3.3Å; L1754-L1758 WeakPolarHBondContact O-CG 3.28Å; L1754-L1758 PolarHBondContact O-N 3.38Å; L1754-I1769 HydrophobicContact CD1-CG2 4.34Å; L1754-I1769 HydrophobicContact CD2-CG2 4.32Å; L1754-L1773 HydrophobicContact CD2-CD1 4.1Å; L1754-L1773 HydrophobicContact CD2-CD2 4.14Å; L1754-L1773 HydrophobicContact CD2-CG 4.5Å |
| 1755 | M | 87 | Confident | 81.5 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.02 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72.9 | -26 | 178.9 | -69.5 | -63.2 | -65.8 | 0 | 0 | 113.4 | I1751 Q1752 H1753 L1758 Q1759 L1773 C1795 F1796 F1799 | I1751-M1755 HydrophobicContact CG2-CG 4.16Å; I1751-M1755 WeakPolarHBondContact O-CB 3.43Å; I1751-M1755 VanDerWaalsContact O-CG 3.26Å; I1751-M1755 WeakPolarHBondContact O-CG 3.27Å; I1751-M1755 PolarHBondContact O-N 2.81Å; Q1752-M1755 PolarHBondContact O-N 3.32Å; H1753-M1755 VanDerWaalsContact C-N 3.33Å; H1753-M1755 PolarHBondContact O-N 3.02Å; M1755-L1758 HydrophobicContact SD-CD1 4.25Å; M1755-Q1759 WeakPolarHBondContact O-CG 3.21Å; M1755-Q1759 PolarHBondContact O-N 2.98Å; M1755-Q1759 PolarHBondContact O-NE2 2.91Å; M1755-Q1759 VanDerWaalsContact O-NE2 3.15Å; M1755-L1773 HydrophobicContact SD-CD2 4.49Å; M1755-C1795 HydrophobicContact CB-CB 3.85Å; M1755-C1795 HydrophobicContact CE-CB 4.16Å; M1755-C1795 HydrophobicContact CG-CB 4.43Å; M1755-F1796 HydrophobicContact CE-CD1 3.59Å; M1755-F1796 HydrophobicContact CE-CD2 4.39Å; M1755-F1796 HydrophobicContact CE-CE1 3.77Å; M1755-F1796 HydrophobicContact CE-CG 3.94Å; M1755-F1796 HydrophobicContact CE-CZ 4.28Å; M1755-F1796 HydrophobicContact CG-CE2 4.39Å; M1755-F1796 HydrophobicContact CG-CZ 4.36Å; M1755-F1796 HydrophobicContact SD-CD1 4.2Å; M1755-F1796 HydrophobicContact SD-CE1 3.72Å; M1755-F1796 HydrophobicContact SD-CE2 4.38Å; M1755-F1796 HydrophobicContact SD-CZ 3.85Å; M1755-F1799 HydrophobicContact CE-CB 3.8Å; M1755-F1799 HydrophobicContact CE-CG 4.13Å |
| 1756 | E | 84.7 | Confident | 81.2 | Confident | 76 Ų | 76 | 45 Ų | 45 | 36% | 0.355 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -72.9 | -45.8 | 170.5 | -71.9 | 169.3 | -169.8 | 0 | 0 | 110.4 | Q1752 H1753 L1758 Q1759 D1760 | Q1752-E1756 VanDerWaalsContact CG-OE1 3.29Å; Q1752-E1756 WeakPolarHBondContact CG-OE1 3.46Å; Q1752-E1756 PolarHBondContact NE2-OE1 2.97Å; Q1752-E1756 WeakPolarHBondContact O-CG 3.45Å; Q1752-E1756 PolarHBondContact O-N 3.47Å; H1753-E1756 PolarHBondContact O-N 3.47Å; E1756-L1758 VanDerWaalsContact C-N 3.33Å; E1756-L1758 PolarHBondContact O-N 3.32Å; E1756-Q1759 PolarHBondContact O-N 3.46Å; E1756-Q1759 VanDerWaalsContact O-N 3.15Å; E1756-D1760 PolarHBondContact O-N 2.92Å |
| 1757 | D | 83.1 | Confident | 80.9 | Confident | 21 Ų | 21 | 46.9 Ų | 46.9 | 11% | 0.112 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.1 | -40.1 | 175.2 | -83.3 | -23.5 | 0 | 0 | 0 | 113 | R1716 A1719 H1753 L1754 Q1759 D1760 S1761 | R1716-D1757 WeakPolarHBondContact CA-OD2 2.95Å; R1716-D1757 VanDerWaalsContact CD-OD1 3.3Å; R1716-D1757 WeakPolarHBondContact CD-OD1 3.26Å; R1716-D1757 VanDerWaalsContact CG-OD1 3.23Å; R1716-D1757 WeakPolarHBondContact CG-OD1 2.78Å; R1716-D1757 IonicContact CZ-OD1 3.66Å; R1716-D1757 IonicContact NE-OD1 3.43Å; R1716-D1757 PolarHBondContact NE-OD1 2.87Å; R1716-D1757 VanDerWaalsContact NE-OD1 3.15Å; A1719-D1757 HydrophobicContact CB-CB 4.11Å; H1753-D1757 WeakPolarHBondContact O-CB 3.33Å; H1753-D1757 PolarHBondContact O-N 3.01Å; L1754-D1757 PolarHBondContact O-N 3.01Å; D1757-Q1759 VanDerWaalsContact C-N 3.32Å; D1757-Q1759 PolarHBondContact O-N 3.18Å; D1757-D1760 PolarHBondContact O-N 3.04Å; D1757-S1761 PolarHBondContact O-N 3.45Å; D1757-S1761 PolarHBondContact O-OG 3.01Å |
| 1758 | L | 80.1 | Confident | 80.7 | Confident | 31 Ų | 31 | 48 Ų | 48 | 16% | 0.162 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.2 | -23.1 | 178 | -73 | 171.9 | 0 | 0 | 0 | 113.7 | L1754 M1755 E1756 P1763 I1769 | L1754-L1758 HydrophobicContact CD1-CD1 4.37Å; L1754-L1758 HydrophobicContact CD1-CG 4.45Å; L1754-L1758 HydrophobicContact CG-CD1 4.1Å; L1754-L1758 WeakPolarHBondContact O-CB 3.3Å; L1754-L1758 WeakPolarHBondContact O-CG 3.28Å; L1754-L1758 PolarHBondContact O-N 3.38Å; M1755-L1758 HydrophobicContact SD-CD1 4.25Å; E1756-L1758 VanDerWaalsContact C-N 3.33Å; E1756-L1758 PolarHBondContact O-N 3.32Å; L1758-P1763 HydrophobicContact CD2-CB 4.25Å; L1758-P1763 HydrophobicContact CD2-CG 3.59Å; L1758-I1769 HydrophobicContact CD1-CG2 4.18Å; L1758-I1769 HydrophobicContact CD2-CD1 4.37Å; L1758-I1769 HydrophobicContact CD2-CG2 4.49Å |
| 1759 | Q | 76.7 | Confident | 80.5 | Confident | 116 Ų | 116 | 48 Ų | 48 | 54% | 0.542 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -78.5 | -34.4 | 175.2 | -77.5 | 172.3 | 50.1 | 0 | 0 | 112.1 | M1755 E1756 D1757 | M1755-Q1759 WeakPolarHBondContact O-CG 3.21Å; M1755-Q1759 PolarHBondContact O-N 2.98Å; M1755-Q1759 PolarHBondContact O-NE2 2.91Å; M1755-Q1759 VanDerWaalsContact O-NE2 3.15Å; E1756-Q1759 PolarHBondContact O-N 3.46Å; E1756-Q1759 VanDerWaalsContact O-N 3.15Å; D1757-Q1759 VanDerWaalsContact C-N 3.32Å; D1757-Q1759 PolarHBondContact O-N 3.18Å |
| 1760 | D | 71.5 | Confident | 80.4 | Confident | 123 Ų | 123 | 46.4 Ų | 46.4 | 66% | 0.658 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -75.1 | -30.3 | -180 | -89.7 | -8.1 | 0 | 0 | 0 | 113.6 | R1716 E1756 D1757 | R1716-D1760 IonicContact NH2-OD2 3.4Å; R1716-D1760 PolarHBondContact NH2-OD2 3.07Å; E1756-D1760 PolarHBondContact O-N 2.92Å; D1757-D1760 PolarHBondContact O-N 3.04Å |
| 1761 | S | 65.6 | Low | 80.1 | Confident | 46 Ų | 46 | 47.7 Ų | 47.7 | 32% | 0.322 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -155.2 | 130.1 | -174.4 | 47.7 | 0 | 0 | 0 | 0 | 112.9 | R1716 D1757 | R1716-S1761 PolarHBondContact NH1-OG 3.26Å; D1757-S1761 PolarHBondContact O-N 3.45Å; D1757-S1761 PolarHBondContact O-OG 3.01Å |
| 1762 | P | 64.9 | Low | 80.1 | Confident | 124 Ų | 124 | 48.7 Ų | 48.7 | 81% | 0.805 | 28% | 0.277 | S | S | * | . | trans | -69.1 | 129.6 | 176.3 | 28.7 | -33.6 | 0 | 0 | 0 | 110.6 | ||||
| 1763 | P | 65.4 | Low | 80.1 | Confident | 36 Ų | 36 | 47.5 Ų | 47.5 | 23% | 0.234 | 27% | 0.271 | C | S | . | . | trans | -76.2 | 163.7 | 178.2 | 34.3 | -38 | 0 | 0 | 0 | 111.8 | L1758 T1766 I1769 | L1758-P1763 HydrophobicContact CD2-CB 4.25Å; L1758-P1763 HydrophobicContact CD2-CG 3.59Å; P1763-T1766 HydrophobicContact CG-CG2 4.33Å; P1763-I1769 HydrophobicContact CB-CD1 3.33Å; P1763-I1769 HydrophobicContact CG-CD1 3.62Å | ||
| 1764 | T | 65.4 | Low | 80.1 | Confident | 135 Ų | 135 | 45.7 Ų | 45.7 | 83% | 0.828 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -77.4 | -37 | 177 | 21.2 | 0 | 0 | 0 | 0 | 113.2 | E1723 | E1723-T1764 WeakPolarHBondContact OE1-CA 3.48Å; E1723-T1764 WeakPolarHBondContact OE1-CB 3.47Å; E1723-T1764 PolarHBondContact OE1-N 3.47Å; E1723-T1764 VanDerWaalsContact OE1-N 3.14Å; E1723-T1764 PolarHBondContact OE1-OG1 2.78Å |
| 1765 | N | 77.7 | Confident | 80 | Confident | 73 Ų | 73 | 48.6 Ų | 48.6 | 39% | 0.39 | 28% | 0.278 | S | S | . | . | trans | -122.6 | 71.2 | 179.8 | -168.5 | -6.7 | 0 | 0 | 0 | 112.6 | E1723 V1767 C1768 I1769 | E1723-N1765 HydrophobicContact CG-CB 4.21Å; E1723-N1765 PolarHBondContact OE1-N 2.93Å; N1765-V1767 PolarHBondContact O-N 3.07Å; N1765-V1767 PolarHBondContact OD1-N 3.37Å; N1765-C1768 HydrophobicContact CB-CB 4.27Å; N1765-C1768 VanDerWaalsContact CG-CB 3.5Å; N1765-C1768 WeakPolarHBondContact ND2-CB 3.23Å; N1765-C1768 PolarHBondContact O-N 3.43Å; N1765-C1768 PolarHBondContact OD1-N 3.09Å; N1765-C1768 VanDerWaalsContact OD1-N 3.14Å; N1765-I1769 PolarHBondContact O-N 3.26Å | ||
| 1766 | T | 80 | Confident | 80.2 | Confident | 38 Ų | 38 | 48.5 Ų | 48.5 | 23% | 0.233 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.8 | -28.8 | 176.3 | -36.6 | 0 | 0 | 0 | 0 | 113.1 | P1763 L1770 Y1813 | P1763-T1766 HydrophobicContact CG-CG2 4.33Å; T1766-L1770 HydrophobicContact CG2-CD1 4.11Å; T1766-L1770 HydrophobicContact CG2-CG 4.37Å; T1766-L1770 WeakPolarHBondContact O-CB 3.37Å; T1766-L1770 WeakPolarHBondContact O-CG 3.37Å; T1766-L1770 PolarHBondContact O-N 3.04Å; T1766-Y1813 HydrophobicContact CG2-CE1 4.44Å |
| 1767 | V | 81.1 | Confident | 80.4 | Confident | 44 Ų | 44 | 44.9 Ų | 44.9 | 27% | 0.267 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.8 | -51.1 | 178.8 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | N1765 I1769 L1770 A1771 Y1813 | N1765-V1767 PolarHBondContact O-N 3.07Å; N1765-V1767 PolarHBondContact OD1-N 3.37Å; V1767-I1769 PolarHBondContact O-N 2.69Å; V1767-L1770 PolarHBondContact O-N 2.92Å; V1767-A1771 WeakPolarHBondContact O-CB 3.46Å; V1767-A1771 PolarHBondContact O-N 3.07Å; V1767-Y1813 HydrophobicContact CB-CD1 4.44Å; V1767-Y1813 HydrophobicContact CB-CE1 4.1Å; V1767-Y1813 HydrophobicContact CG2-CD1 3.97Å; V1767-Y1813 HydrophobicContact CG2-CE1 3.34Å |
| 1768 | C | 84.6 | Confident | 80.5 | Confident | 22 Ų | 22 | 51.2 Ų | 51.2 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 179 | -172.9 | 0 | 0 | 0 | 0 | 111.4 | N1765 L1770 A1771 N1772 | N1765-C1768 HydrophobicContact CB-CB 4.27Å; N1765-C1768 VanDerWaalsContact CG-CB 3.5Å; N1765-C1768 WeakPolarHBondContact ND2-CB 3.23Å; N1765-C1768 PolarHBondContact O-N 3.43Å; N1765-C1768 PolarHBondContact OD1-N 3.09Å; N1765-C1768 VanDerWaalsContact OD1-N 3.14Å; C1768-L1770 PolarHBondContact O-N 3.16Å; C1768-A1771 PolarHBondContact O-N 3.47Å; C1768-N1772 VanDerWaalsContact O-CB 3.31Å; C1768-N1772 WeakPolarHBondContact O-CB 3.41Å; C1768-N1772 PolarHBondContact O-N 3.39Å; C1768-N1772 PolarHBondContact O-ND2 2.97Å; C1768-N1772 PolarHBondContact SG-ND2 3.29Å; C1768-N1772 VanDerWaalsContact SG-ND2 3.4Å |
| 1769 | I | 86.4 | Confident | 80.8 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.8 | -46 | 178.8 | -68.5 | 158.3 | 0 | 0 | 0 | 111.4 | F1722 E1723 L1754 L1758 P1763 N1765 V1767 L1773 | F1722-I1769 HydrophobicContact CB-CG1 4.28Å; F1722-I1769 HydrophobicContact CB-CG2 4.28Å; F1722-I1769 WeakPolarHBondContact O-CA 3.37Å; E1723-I1769 HydrophobicContact CB-CD1 4.09Å; E1723-I1769 HydrophobicContact CB-CG1 4.04Å; E1723-I1769 HydrophobicContact CG-CD1 4.48Å; L1754-I1769 HydrophobicContact CD1-CG2 4.34Å; L1754-I1769 HydrophobicContact CD2-CG2 4.32Å; L1758-I1769 HydrophobicContact CD1-CG2 4.18Å; L1758-I1769 HydrophobicContact CD2-CD1 4.37Å; L1758-I1769 HydrophobicContact CD2-CG2 4.49Å; P1763-I1769 HydrophobicContact CB-CD1 3.33Å; P1763-I1769 HydrophobicContact CG-CD1 3.62Å; N1765-I1769 PolarHBondContact O-N 3.26Å; V1767-I1769 PolarHBondContact O-N 2.69Å; I1769-L1773 WeakPolarHBondContact O-CB 3.41Å; I1769-L1773 PolarHBondContact O-N 3.49Å |
| 1770 | L | 86.2 | Confident | 81.4 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.7 | -36.1 | 179 | -70.4 | 173.8 | 0 | 0 | 0 | 112.5 | T1766 V1767 C1768 S1774 F1799 Y1813 H1816 L1817 I1820 | T1766-L1770 HydrophobicContact CG2-CD1 4.11Å; T1766-L1770 HydrophobicContact CG2-CG 4.37Å; T1766-L1770 WeakPolarHBondContact O-CB 3.37Å; T1766-L1770 WeakPolarHBondContact O-CG 3.37Å; T1766-L1770 PolarHBondContact O-N 3.04Å; V1767-L1770 PolarHBondContact O-N 2.92Å; C1768-L1770 PolarHBondContact O-N 3.16Å; L1770-S1774 VanDerWaalsContact O-CB 3.31Å; L1770-S1774 WeakPolarHBondContact O-CB 3.39Å; L1770-S1774 PolarHBondContact O-N 3.08Å; L1770-S1774 PolarHBondContact O-OG 3.1Å; L1770-F1799 HydrophobicContact CD2-CE1 4.22Å; L1770-F1799 HydrophobicContact CD2-CZ 4.15Å; L1770-Y1813 HydrophobicContact CD1-CD1 3.75Å; L1770-Y1813 HydrophobicContact CD1-CE1 4.47Å; L1770-Y1813 HydrophobicContact CD1-CG 4.21Å; L1770-H1816 HydrophobicContact CB-CB 4.16Å; L1770-L1817 HydrophobicContact CD1-CD2 4.02Å; L1770-L1817 HydrophobicContact CD2-CD2 4.28Å; L1770-I1820 HydrophobicContact CD2-CD1 3.8Å |
| 1771 | A | 84.9 | Confident | 82.1 | Confident | 28 Ų | 28 | 43.5 Ų | 43.5 | 23% | 0.231 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.4 | -54.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1767 C1768 L1773 S1774 E1775 | V1767-A1771 WeakPolarHBondContact O-CB 3.46Å; V1767-A1771 PolarHBondContact O-N 3.07Å; C1768-A1771 PolarHBondContact O-N 3.47Å; A1771-L1773 VanDerWaalsContact C-N 3.32Å; A1771-L1773 PolarHBondContact O-N 3.44Å; A1771-S1774 PolarHBondContact O-N 3.36Å; A1771-S1774 VanDerWaalsContact O-N 3.16Å; A1771-S1774 PolarHBondContact O-OG 2.74Å; A1771-E1775 PolarHBondContact O-N 3.47Å; A1771-E1775 VanDerWaalsContact O-N 3.11Å |
| 1772 | N | 89.4 | Confident | 82.8 | Confident | 22 Ų | 22 | 43 Ų | 43 | 12% | 0.118 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.1 | -40.3 | 177.3 | -77.4 | -21.3 | 0 | 0 | 0 | 112.4 | F1722 S1724 F1732 C1768 E1775 Y1776 | F1722-N1772 HydrophobicContact CD1-CB 3.73Å; F1722-N1772 HydrophobicContact CE1-CB 4.4Å; F1722-N1772 HydrophobicContact CG-CB 4.5Å; F1722-N1772 PolarHBondContact O-ND2 2.82Å; S1724-N1772 PolarHBondContact O-ND2 2.87Å; F1732-N1772 HydrophobicContact CE1-CB 4.44Å; F1732-N1772 HydrophobicContact CE2-CB 3.8Å; F1732-N1772 WeakPolarHBondContact CE2-OD1 3.49Å; F1732-N1772 HydrophobicContact CZ-CB 3.53Å; C1768-N1772 VanDerWaalsContact O-CB 3.31Å; C1768-N1772 WeakPolarHBondContact O-CB 3.41Å; C1768-N1772 PolarHBondContact O-N 3.39Å; C1768-N1772 PolarHBondContact O-ND2 2.97Å; C1768-N1772 PolarHBondContact SG-ND2 3.29Å; C1768-N1772 VanDerWaalsContact SG-ND2 3.4Å; N1772-E1775 PolarHBondContact O-N 3.18Å; N1772-Y1776 WeakPolarHBondContact O-CB 3.5Å; N1772-Y1776 PolarHBondContact O-N 2.97Å |
| 1773 | L | 90.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.6 | -41.6 | 175.4 | -178.8 | 55.4 | 0 | 0 | 0 | 112.3 | F1722 I1751 L1754 M1755 I1769 A1771 E1775 Y1776 M1777 F1796 I1820 | F1722-L1773 HydrophobicContact CD1-CB 4.3Å; F1722-L1773 HydrophobicContact CE1-CB 4.37Å; F1722-L1773 HydrophobicContact CE1-CD1 4.44Å; I1751-L1773 HydrophobicContact CG1-CD1 4.18Å; I1751-L1773 HydrophobicContact CG2-CD1 4.18Å; L1754-L1773 HydrophobicContact CD2-CD1 4.1Å; L1754-L1773 HydrophobicContact CD2-CD2 4.14Å; L1754-L1773 HydrophobicContact CD2-CG 4.5Å; M1755-L1773 HydrophobicContact SD-CD2 4.49Å; I1769-L1773 WeakPolarHBondContact O-CB 3.41Å; I1769-L1773 PolarHBondContact O-N 3.49Å; A1771-L1773 VanDerWaalsContact C-N 3.32Å; A1771-L1773 PolarHBondContact O-N 3.44Å; L1773-E1775 VanDerWaalsContact C-N 3.3Å; L1773-E1775 PolarHBondContact O-N 3.39Å; L1773-Y1776 PolarHBondContact O-N 3.24Å; L1773-M1777 HydrophobicContact CD1-CG 4.02Å; L1773-M1777 HydrophobicContact CD1-SD 4.27Å; L1773-M1777 HydrophobicContact CG-CG 4.48Å; L1773-M1777 HydrophobicContact CG-SD 4.28Å; L1773-M1777 WeakPolarHBondContact O-CB 3.43Å; L1773-M1777 VanDerWaalsContact O-CG 3.32Å; L1773-M1777 WeakPolarHBondContact O-CG 3.35Å; L1773-M1777 PolarHBondContact O-N 3.45Å; L1773-F1796 HydrophobicContact CD2-CE1 4.37Å; L1773-F1796 HydrophobicContact CD2-CZ 4Å; L1773-I1820 HydrophobicContact CD2-CD1 4.44Å; L1773-I1820 HydrophobicContact CG-CD1 4.49Å |
| 1774 | S | 87.5 | Confident | 84.1 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 10% | 0.098 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.3 | -37.5 | 177.6 | 73.2 | 0 | 0 | 0 | 0 | 112.3 | L1770 A1771 | L1770-S1774 VanDerWaalsContact O-CB 3.31Å; L1770-S1774 WeakPolarHBondContact O-CB 3.39Å; L1770-S1774 PolarHBondContact O-N 3.08Å; L1770-S1774 PolarHBondContact O-OG 3.1Å; A1771-S1774 PolarHBondContact O-N 3.36Å; A1771-S1774 VanDerWaalsContact O-N 3.16Å; A1771-S1774 PolarHBondContact O-OG 2.74Å |
| 1775 | E | 86.5 | Confident | 85 | Confident | 61 Ų | 61 | 37.9 Ų | 37.9 | 29% | 0.285 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -77.3 | -36 | 175.7 | -170 | 59.5 | -164.2 | 0 | 0 | 112.2 | A1771 N1772 L1773 R1778 Y1779 | A1771-E1775 PolarHBondContact O-N 3.47Å; A1771-E1775 VanDerWaalsContact O-N 3.11Å; N1772-E1775 PolarHBondContact O-N 3.18Å; L1773-E1775 VanDerWaalsContact C-N 3.3Å; L1773-E1775 PolarHBondContact O-N 3.39Å; E1775-R1778 WeakPolarHBondContact O-CB 3.48Å; E1775-R1778 PolarHBondContact O-N 2.71Å; E1775-R1778 IonicContact OE1-NH1 2.69Å; E1775-R1778 PolarHBondContact OE1-NH1 2.81Å; E1775-R1778 IonicContact OE2-NH1 2.81Å; E1775-R1778 PolarHBondContact OE2-NH1 2.87Å; E1775-Y1779 HydrophobicContact CG-CE2 4.1Å; E1775-Y1779 WeakPolarHBondContact O-CD2 3.34Å; E1775-Y1779 WeakPolarHBondContact O-CE2 3.26Å; E1775-Y1779 WeakPolarHBondContact OE1-CE2 3.47Å; E1775-Y1779 PolarHBondContact OE1-OH 2.98Å |
| 1776 | Y | 91.6 | Very high | 85.2 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.6 | -47.6 | 173.3 | -176.1 | -109.9 | 0 | 0 | 0 | 112.4 | F1722 F1732 I1735 A1736 S1747 V1750 I1751 N1772 L1773 R1778 Y1779 V1780 | F1722-Y1776 HydrophobicContact CE1-CG 4.25Å; F1722-Y1776 HydrophobicContact CZ-CD1 4.09Å; F1722-Y1776 HydrophobicContact CZ-CD2 4.44Å; F1722-Y1776 AromaticContact CZ-CG 3.94Å; F1722-Y1776 HydrophobicContact CZ-CG 3.94Å; F1732-Y1776 HydrophobicContact CB-CD2 3.92Å; F1732-Y1776 AromaticContact CD1-CD2 3.75Å; F1732-Y1776 HydrophobicContact CD1-CD2 3.75Å; F1732-Y1776 HydrophobicContact CD1-CG 4.18Å; F1732-Y1776 HydrophobicContact CG-CD2 4.24Å; I1735-Y1776 HydrophobicContact CB-CE2 4.12Å; I1735-Y1776 HydrophobicContact CG2-CE2 3.74Å; A1736-Y1776 HydrophobicContact CB-CE2 3.91Å; S1747-Y1776 WeakPolarHBondContact O-CE1 3.38Å; S1747-Y1776 PolarHBondContact O-OH 2.92Å; V1750-Y1776 HydrophobicContact CB-CE1 4.09Å; V1750-Y1776 HydrophobicContact CG1-CE1 3.96Å; I1751-Y1776 HydrophobicContact CD1-CD1 4.33Å; I1751-Y1776 HydrophobicContact CD1-CE1 4.33Å; I1751-Y1776 HydrophobicContact CG1-CD1 4Å; I1751-Y1776 HydrophobicContact CG1-CE1 3.93Å; N1772-Y1776 WeakPolarHBondContact O-CB 3.5Å; N1772-Y1776 PolarHBondContact O-N 2.97Å; L1773-Y1776 PolarHBondContact O-N 3.24Å; Y1776-R1778 PolarHBondContact O-N 3.16Å; Y1776-Y1779 PolarHBondContact O-N 3.33Å; Y1776-V1780 HydrophobicContact CD1-CG2 3.8Å; Y1776-V1780 HydrophobicContact CE1-CG2 3.45Å; Y1776-V1780 VanDerWaalsContact CE1-CG2 3.45Å; Y1776-V1780 HydrophobicContact CE2-CG2 4.43Å; Y1776-V1780 HydrophobicContact CG-CG2 4.43Å |
| 1777 | M | 89.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.1 | -20.5 | 179.6 | -73.2 | -176.6 | 79 | 0 | 0 | 113.6 | I1751 L1773 Y1779 Y1782 W1789 F1796 I1820 N1823 L1824 | I1751-M1777 HydrophobicContact CD1-CG 3.85Å; L1773-M1777 HydrophobicContact CD1-CG 4.02Å; L1773-M1777 HydrophobicContact CD1-SD 4.27Å; L1773-M1777 HydrophobicContact CG-CG 4.48Å; L1773-M1777 HydrophobicContact CG-SD 4.28Å; L1773-M1777 WeakPolarHBondContact O-CB 3.43Å; L1773-M1777 VanDerWaalsContact O-CG 3.32Å; L1773-M1777 WeakPolarHBondContact O-CG 3.35Å; L1773-M1777 PolarHBondContact O-N 3.45Å; M1777-Y1779 VanDerWaalsContact C-N 3.26Å; M1777-Y1779 PolarHBondContact O-N 2.93Å; M1777-Y1782 PolarHBondContact O-OH 2.95Å; M1777-W1789 HydrophobicContact CE-CH2 4.19Å; M1777-W1789 HydrophobicContact CE-CZ3 4.04Å; M1777-F1796 HydrophobicContact CE-CE2 4.34Å; M1777-F1796 HydrophobicContact SD-CE2 4.42Å; M1777-F1796 HydrophobicContact SD-CZ 4.15Å; M1777-I1820 HydrophobicContact SD-CG1 4.19Å; M1777-I1820 HydrophobicContact SD-CG2 4.23Å; M1777-N1823 HydrophobicContact CB-CB 4.3Å; M1777-N1823 HydrophobicContact CE-CB 3.93Å; M1777-L1824 HydrophobicContact CE-CD2 4.03Å; M1777-L1824 HydrophobicContact CE-CG 4.23Å |
| 1778 | R | 85.3 | Confident | 85.6 | Confident | 155 Ų | 155 | 38.6 Ų | 38.6 | 59% | 0.585 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -27.6 | 174.7 | -167.6 | -178.8 | -175.9 | 169.1 | 4.5 | 113.3 | E1775 Y1776 | E1775-R1778 WeakPolarHBondContact O-CB 3.48Å; E1775-R1778 PolarHBondContact O-N 2.71Å; E1775-R1778 IonicContact OE1-NH1 2.69Å; E1775-R1778 PolarHBondContact OE1-NH1 2.81Å; E1775-R1778 IonicContact OE2-NH1 2.81Å; E1775-R1778 PolarHBondContact OE2-NH1 2.87Å; Y1776-R1778 PolarHBondContact O-N 3.16Å |
| 1779 | Y | 87.1 | Confident | 85.8 | Confident | 71 Ų | 71 | 37.6 Ų | 37.6 | 28% | 0.278 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -6.9 | -173 | -57.1 | -64.3 | 0 | 0 | 0 | 114.2 | F1732 K1733 E1775 Y1776 M1777 | F1732-Y1779 HydrophobicContact CB-CD2 4.37Å; K1733-Y1779 HydrophobicContact CB-CD1 3.84Å; K1733-Y1779 HydrophobicContact CB-CD2 3.83Å; K1733-Y1779 HydrophobicContact CB-CE1 3.92Å; K1733-Y1779 HydrophobicContact CB-CE2 3.88Å; K1733-Y1779 HydrophobicContact CB-CG 3.8Å; K1733-Y1779 HydrophobicContact CD-CD1 4.31Å; K1733-Y1779 HydrophobicContact CD-CE1 4.06Å; K1733-Y1779 HydrophobicContact CG-CD1 3.73Å; K1733-Y1779 HydrophobicContact CG-CE1 3.93Å; K1733-Y1779 HydrophobicContact CG-CG 4.09Å; E1775-Y1779 HydrophobicContact CG-CE2 4.1Å; E1775-Y1779 WeakPolarHBondContact O-CD2 3.34Å; E1775-Y1779 WeakPolarHBondContact O-CE2 3.26Å; E1775-Y1779 WeakPolarHBondContact OE1-CE2 3.47Å; E1775-Y1779 PolarHBondContact OE1-OH 2.98Å; Y1776-Y1779 PolarHBondContact O-N 3.33Å; M1777-Y1779 VanDerWaalsContact C-N 3.26Å; M1777-Y1779 PolarHBondContact O-N 2.93Å |
| 1780 | V | 89.3 | Confident | 85.7 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -79.8 | 131.4 | 178 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | A1736 V1748 I1751 Y1776 Y1782 W1789 | A1736-V1780 HydrophobicContact CB-CG2 4.5Å; V1748-V1780 HydrophobicContact CG2-CG1 3.88Å; I1751-V1780 HydrophobicContact CD1-CG2 4.3Å; Y1776-V1780 HydrophobicContact CD1-CG2 3.8Å; Y1776-V1780 HydrophobicContact CE1-CG2 3.45Å; Y1776-V1780 VanDerWaalsContact CE1-CG2 3.45Å; Y1776-V1780 HydrophobicContact CE2-CG2 4.43Å; Y1776-V1780 HydrophobicContact CG-CG2 4.43Å; V1780-Y1782 PolarHBondContact O-N 2.92Å; V1780-W1789 HydrophobicContact CB-CZ2 4.21Å; V1780-W1789 HydrophobicContact CG1-CH2 4.22Å; V1780-W1789 HydrophobicContact CG1-CZ2 3.56Å |
| 1781 | P | 84.8 | Confident | 85.7 | Confident | 34 Ų | 34 | 44.2 Ų | 44.2 | 22% | 0.221 | 23% | 0.23 | C | C | . | . | trans | -65.2 | 125.8 | 175.1 | 25.4 | -33.3 | 0 | 0 | 0 | 111.8 | A1784 W1789 | P1781-A1784 HydrophobicContact CB-CB 4.11Å; P1781-A1784 HydrophobicContact CG-CB 3.95Å; P1781-W1789 PolarHBondContact O-NE1 3.4Å | ||
| 1782 | Y | 81.1 | Confident | 85.9 | Confident | 34 Ų | 34 | 42.9 Ų | 42.9 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -81 | -19.6 | -177.5 | -51.2 | -56 | 0 | 0 | 0 | 113.6 | M1777 V1780 W1789 N1823 V1827 F1830 | M1777-Y1782 PolarHBondContact O-OH 2.95Å; V1780-Y1782 PolarHBondContact O-N 2.92Å; Y1782-W1789 HydrophobicContact CD1-CZ2 4.06Å; Y1782-N1823 PolarHBondContact OH-OD1 3.46Å; Y1782-V1827 HydrophobicContact CD1-CG2 3.42Å; Y1782-V1827 VanDerWaalsContact CD1-CG2 3.42Å; Y1782-V1827 HydrophobicContact CE1-CG2 4.22Å; Y1782-V1827 HydrophobicContact CG-CG2 4.09Å; Y1782-F1830 WeakPolarHBondContact O-CD2 3.41Å; Y1782-F1830 VanDerWaalsContact O-CE2 3.29Å; Y1782-F1830 WeakPolarHBondContact O-CE2 3.43Å |
| 1783 | D | 77.8 | Confident | 85.7 | Confident | 111 Ų | 111 | 42.2 Ų | 42.2 | 59% | 0.594 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -89.2 | -16.7 | -179.3 | 56.8 | -29.6 | 0 | 0 | 0 | 113.5 | F1830 | D1783-F1830 HydrophobicContact CB-CE1 3.9Å; D1783-F1830 HydrophobicContact CB-CE2 4.3Å; D1783-F1830 HydrophobicContact CB-CZ 3.61Å |
| 1784 | A | 80.3 | Confident | 85.4 | Confident | 25 Ų | 25 | 43.9 Ų | 43.9 | 21% | 0.207 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -90.9 | 154.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P1781 L1786 W1789 | P1781-A1784 HydrophobicContact CB-CB 4.11Å; P1781-A1784 HydrophobicContact CG-CB 3.95Å; A1784-L1786 VanDerWaalsContact C-N 3.31Å; A1784-L1786 PolarHBondContact O-N 3.42Å; A1784-W1789 PolarHBondContact O-NE1 3.32Å |
| 1785 | F | 82.7 | Confident | 85.4 | Confident | 52 Ų | 52 | 43.9 Ų | 43.9 | 23% | 0.228 | 23% | 0.233 | C | C | . | . | trans | 52.3 | 39.6 | 170.7 | -46.5 | -75.5 | 0 | 0 | 0 | 115.8 | A1740 N1746 V1748 P1787 N1788 W1789 | A1740-F1785 WeakPolarHBondContact O-CE2 3.36Å; N1746-F1785 HydrophobicContact CB-CD1 3.64Å; N1746-F1785 HydrophobicContact CB-CD2 3.69Å; N1746-F1785 HydrophobicContact CB-CE1 3.52Å; N1746-F1785 HydrophobicContact CB-CE2 3.6Å; N1746-F1785 HydrophobicContact CB-CG 3.72Å; N1746-F1785 HydrophobicContact CB-CZ 3.5Å; N1746-F1785 VanDerWaalsContact CB-CZ 3.5Å; N1746-F1785 VanDerWaalsContact CG-CG 3.45Å; N1746-F1785 WeakPolarHBondContact ND2-CD1 3.22Å; V1748-F1785 HydrophobicContact CB-CB 4.34Å; V1748-F1785 HydrophobicContact CG2-CB 3.96Å; V1748-F1785 HydrophobicContact CG2-CD2 4.26Å; F1785-P1787 VanDerWaalsContact C-N 3.29Å; F1785-P1787 VanDerWaalsContact O-N 3.09Å; F1785-N1788 HydrophobicContact CB-CB 4.42Å; F1785-N1788 PolarHBondContact O-N 2.98Å; F1785-W1789 PolarHBondContact O-N 3.48Å; F1785-W1789 VanDerWaalsContact O-N 3.16Å | ||
| 1786 | L | 83 | Confident | 85.4 | Confident | 49 Ų | 49 | 41 Ų | 41 | 26% | 0.257 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -47.5 | -35.3 | -179 | -57.2 | 164.1 | 0 | 0 | 0 | 115.4 | A1784 W1789 T1790 F1830 I1833 | A1784-L1786 VanDerWaalsContact C-N 3.31Å; A1784-L1786 PolarHBondContact O-N 3.42Å; L1786-W1789 PolarHBondContact O-N 2.93Å; L1786-T1790 PolarHBondContact O-N 2.99Å; L1786-T1790 VanDerWaalsContact O-N 3.09Å; L1786-T1790 PolarHBondContact O-OG1 3.29Å; L1786-F1830 HydrophobicContact CD2-CB 3.92Å; L1786-F1830 HydrophobicContact CD2-CD2 4.34Å; L1786-F1830 HydrophobicContact CD2-CG 4.05Å; L1786-I1833 HydrophobicContact CB-CD1 4.43Å; L1786-I1833 HydrophobicContact CB-CG1 4.36Å; L1786-I1833 HydrophobicContact CD2-CD1 3.72Å; L1786-I1833 HydrophobicContact CD2-CG1 4.21Å |
| 1787 | P | 83.3 | Confident | 85.1 | Confident | 94 Ų | 94 | 41.3 Ų | 41.3 | 61% | 0.61 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -63.6 | -42.5 | 172.8 | -23.5 | 35.7 | 0 | 0 | 0 | 113.6 | F1785 T1790 I1791 | F1785-P1787 VanDerWaalsContact C-N 3.29Å; F1785-P1787 VanDerWaalsContact O-N 3.09Å; P1787-T1790 WeakPolarHBondContact O-CB 3.26Å; P1787-T1790 PolarHBondContact O-N 3.45Å; P1787-I1791 PolarHBondContact O-N 3.46Å |
| 1788 | N | 86.2 | Confident | 84.9 | Confident | 28 Ų | 28 | 44 Ų | 44 | 15% | 0.15 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.9 | -40.4 | 176.7 | -65.4 | 98.6 | 0 | 0 | 0 | 111.1 | N1746 V1748 Q1749 Q1752 F1785 T1790 I1791 V1792 | N1746-N1788 PolarHBondContact ND2-OD1 2.85Å; N1746-N1788 VanDerWaalsContact ND2-OD1 3.13Å; V1748-N1788 HydrophobicContact CB-CB 4.02Å; V1748-N1788 HydrophobicContact CG1-CB 3.77Å; Q1749-N1788 VanDerWaalsContact CG-ND2 3.29Å; Q1749-N1788 WeakPolarHBondContact CG-ND2 3.42Å; Q1752-N1788 PolarHBondContact OE1-ND2 3.14Å; Q1752-N1788 VanDerWaalsContact OE1-ND2 3.08Å; F1785-N1788 HydrophobicContact CB-CB 4.42Å; F1785-N1788 PolarHBondContact O-N 2.98Å; N1788-T1790 PolarHBondContact O-N 3.42Å; N1788-I1791 WeakPolarHBondContact O-CB 3.43Å; N1788-I1791 PolarHBondContact O-N 3.02Å; N1788-I1791 VanDerWaalsContact O-N 3.08Å; N1788-V1792 WeakPolarHBondContact O-CG2 3.49Å; N1788-V1792 PolarHBondContact O-N 3.43Å |
| 1789 | W | 88.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.4 | -35.6 | 173.2 | -84.3 | 125.2 | 0 | 0 | 0 | 112.3 | V1748 I1751 M1777 V1780 P1781 Y1782 A1784 F1785 L1786 I1791 V1792 V1793 V1827 I1833 | V1748-W1789 HydrophobicContact CG1-CB 4.39Å; V1748-W1789 HydrophobicContact CG1-CD2 3.57Å; V1748-W1789 HydrophobicContact CG1-CE3 3.89Å; V1748-W1789 HydrophobicContact CG1-CG 3.78Å; V1748-W1789 HydrophobicContact CG1-CZ2 4.49Å; V1748-W1789 HydrophobicContact CG1-CZ3 4.45Å; V1748-W1789 HydrophobicContact CG2-CD2 4.15Å; V1748-W1789 HydrophobicContact CG2-CG 4.28Å; V1748-W1789 HydrophobicContact CG2-CZ2 4.1Å; I1751-W1789 HydrophobicContact CD1-CH2 3.8Å; I1751-W1789 HydrophobicContact CD1-CZ3 4.05Å; M1777-W1789 HydrophobicContact CE-CH2 4.19Å; M1777-W1789 HydrophobicContact CE-CZ3 4.04Å; V1780-W1789 HydrophobicContact CB-CZ2 4.21Å; V1780-W1789 HydrophobicContact CG1-CH2 4.22Å; V1780-W1789 HydrophobicContact CG1-CZ2 3.56Å; P1781-W1789 PolarHBondContact O-NE1 3.4Å; Y1782-W1789 HydrophobicContact CD1-CZ2 4.06Å; A1784-W1789 PolarHBondContact O-NE1 3.32Å; F1785-W1789 PolarHBondContact O-N 3.48Å; F1785-W1789 VanDerWaalsContact O-N 3.16Å; L1786-W1789 PolarHBondContact O-N 2.93Å; W1789-I1791 VanDerWaalsContact C-N 3.32Å; W1789-I1791 PolarHBondContact O-N 2.94Å; W1789-V1792 HydrophobicContact CE3-CB 4.25Å; W1789-V1792 HydrophobicContact CE3-CG1 4.01Å; W1789-V1792 HydrophobicContact CZ3-CG1 4.03Å; W1789-V1792 PolarHBondContact O-N 3.47Å; W1789-V1793 WeakPolarHBondContact O-CB 3.45Å; W1789-V1793 VanDerWaalsContact O-CG2 3.24Å; W1789-V1793 WeakPolarHBondContact O-CG2 3.45Å; W1789-V1793 PolarHBondContact O-N 2.81Å; W1789-V1827 HydrophobicContact CB-CG1 3.84Å; W1789-V1827 HydrophobicContact CD2-CB 4.48Å; W1789-V1827 HydrophobicContact CD2-CG1 3.71Å; W1789-V1827 HydrophobicContact CD2-CG2 3.87Å; W1789-V1827 HydrophobicContact CE3-CB 4.5Å; W1789-V1827 HydrophobicContact CE3-CG1 3.94Å; W1789-V1827 HydrophobicContact CE3-CG2 3.9Å; W1789-V1827 HydrophobicContact CG-CG1 3.71Å; W1789-V1827 HydrophobicContact CH2-CG2 3.85Å; W1789-V1827 HydrophobicContact CZ2-CG2 3.79Å; W1789-V1827 HydrophobicContact CZ3-CG2 3.91Å; W1789-I1833 HydrophobicContact CB-CD1 3.54Å; W1789-I1833 HydrophobicContact CG-CD1 4.27Å |
| 1790 | T | 84.5 | Confident | 84.8 | Confident | 69 Ų | 69 | 35.4 Ų | 35.4 | 42% | 0.423 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.2 | -37.7 | 176.3 | -53.5 | 0 | 0 | 0 | 0 | 111.9 | L1786 P1787 N1788 G1794 | L1786-T1790 PolarHBondContact O-N 2.99Å; L1786-T1790 VanDerWaalsContact O-N 3.09Å; L1786-T1790 PolarHBondContact O-OG1 3.29Å; P1787-T1790 WeakPolarHBondContact O-CB 3.26Å; P1787-T1790 PolarHBondContact O-N 3.45Å; N1788-T1790 PolarHBondContact O-N 3.42Å; T1790-G1794 PolarHBondContact O-N 3.28Å |
| 1791 | I | 86.4 | Confident | 84.6 | Confident | 77 Ų | 77 | 40.9 Ų | 40.9 | 40% | 0.395 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -69 | -49.4 | 174.6 | -58.8 | 170.3 | 0 | 0 | 0 | 110.2 | Q1752 P1787 N1788 W1789 V1793 G1794 C1795 | Q1752-I1791 HydrophobicContact CG-CG2 4.04Å; P1787-I1791 PolarHBondContact O-N 3.46Å; N1788-I1791 WeakPolarHBondContact O-CB 3.43Å; N1788-I1791 PolarHBondContact O-N 3.02Å; N1788-I1791 VanDerWaalsContact O-N 3.08Å; W1789-I1791 VanDerWaalsContact C-N 3.32Å; W1789-I1791 PolarHBondContact O-N 2.94Å; I1791-V1793 VanDerWaalsContact C-N 3.33Å; I1791-V1793 PolarHBondContact O-N 3.22Å; I1791-G1794 WeakPolarHBondContact O-CA 3.19Å; I1791-G1794 PolarHBondContact O-N 2.65Å; I1791-C1795 PolarHBondContact O-N 2.91Å |
| 1792 | V | 88.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.9 | -44.9 | 179.4 | 168.1 | 0 | 0 | 0 | 0 | 111.8 | V1748 I1751 Q1752 N1788 W1789 G1794 C1795 F1796 | V1748-V1792 HydrophobicContact CG1-CG2 4.02Å; I1751-V1792 HydrophobicContact CB-CG1 4.41Å; I1751-V1792 HydrophobicContact CB-CG2 4.26Å; I1751-V1792 HydrophobicContact CG2-CG1 3.62Å; I1751-V1792 HydrophobicContact CG2-CG2 4.19Å; Q1752-V1792 HydrophobicContact CB-CG2 3.91Å; N1788-V1792 WeakPolarHBondContact O-CG2 3.49Å; N1788-V1792 PolarHBondContact O-N 3.43Å; W1789-V1792 HydrophobicContact CE3-CB 4.25Å; W1789-V1792 HydrophobicContact CE3-CG1 4.01Å; W1789-V1792 HydrophobicContact CZ3-CG1 4.03Å; W1789-V1792 PolarHBondContact O-N 3.47Å; V1792-G1794 VanDerWaalsContact C-N 3.3Å; V1792-G1794 PolarHBondContact O-N 3.01Å; V1792-C1795 PolarHBondContact O-N 3.46Å; V1792-F1796 HydrophobicContact CG1-CD2 3.69Å; V1792-F1796 HydrophobicContact CG1-CE2 3.57Å; V1792-F1796 VanDerWaalsContact O-CD2 3.27Å; V1792-F1796 WeakPolarHBondContact O-CD2 3.45Å; V1792-F1796 PolarHBondContact O-N 2.95Å |
| 1793 | V | 85.2 | Confident | 84.4 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.9 | -39.3 | 175 | 166.5 | 0 | 0 | 0 | 0 | 111.4 | W1789 I1791 F1796 D1797 L1824 I1833 L1839 | W1789-V1793 WeakPolarHBondContact O-CB 3.45Å; W1789-V1793 VanDerWaalsContact O-CG2 3.24Å; W1789-V1793 WeakPolarHBondContact O-CG2 3.45Å; W1789-V1793 PolarHBondContact O-N 2.81Å; I1791-V1793 VanDerWaalsContact C-N 3.33Å; I1791-V1793 PolarHBondContact O-N 3.22Å; V1793-F1796 PolarHBondContact O-N 2.98Å; V1793-D1797 PolarHBondContact O-N 3.11Å; V1793-L1824 HydrophobicContact CG2-CD2 4.1Å; V1793-I1833 HydrophobicContact CG2-CG2 4.43Å; V1793-L1839 HydrophobicContact CG1-CD2 3.85Å |
| 1794 | G | 83.9 | Confident | 84.5 | Confident | 36 Ų | 36 | 39.7 Ų | 39.7 | 37% | 0.371 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1790 I1791 V1792 F1796 D1797 S1798 | T1790-G1794 PolarHBondContact O-N 3.28Å; I1791-G1794 WeakPolarHBondContact O-CA 3.19Å; I1791-G1794 PolarHBondContact O-N 2.65Å; V1792-G1794 VanDerWaalsContact C-N 3.3Å; V1792-G1794 PolarHBondContact O-N 3.01Å; G1794-F1796 VanDerWaalsContact C-N 3.35Å; G1794-F1796 PolarHBondContact O-N 3.43Å; G1794-D1797 PolarHBondContact O-N 3.34Å; G1794-S1798 PolarHBondContact O-N 3.46Å; G1794-S1798 PolarHBondContact O-OG 3.16Å |
| 1795 | C | 87.3 | Confident | 84.3 | Confident | 14 Ų | 14 | 43.1 Ų | 43.1 | 10% | 0.095 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.8 | -38.7 | 174.9 | -64.7 | 0 | 0 | 0 | 0 | 112.1 | M1755 I1791 V1792 S1798 F1799 | M1755-C1795 HydrophobicContact CB-CB 3.85Å; M1755-C1795 HydrophobicContact CE-CB 4.16Å; M1755-C1795 HydrophobicContact CG-CB 4.43Å; I1791-C1795 PolarHBondContact O-N 2.91Å; V1792-C1795 PolarHBondContact O-N 3.46Å; C1795-S1798 PolarHBondContact O-N 3.48Å; C1795-F1799 WeakPolarHBondContact O-CB 3.44Å; C1795-F1799 PolarHBondContact O-N 2.97Å |
| 1796 | F | 88 | Confident | 83.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.8 | -39.2 | 175.2 | -81.4 | -68.5 | 0 | 0 | 0 | 113.5 | I1751 M1755 L1773 M1777 V1792 V1793 G1794 S1798 F1799 F1800 I1820 L1824 | I1751-F1796 HydrophobicContact CG2-CE2 4.02Å; I1751-F1796 HydrophobicContact CG2-CZ 4.38Å; M1755-F1796 HydrophobicContact CE-CD1 3.59Å; M1755-F1796 HydrophobicContact CE-CD2 4.39Å; M1755-F1796 HydrophobicContact CE-CE1 3.77Å; M1755-F1796 HydrophobicContact CE-CG 3.94Å; M1755-F1796 HydrophobicContact CE-CZ 4.28Å; M1755-F1796 HydrophobicContact CG-CE2 4.39Å; M1755-F1796 HydrophobicContact CG-CZ 4.36Å; M1755-F1796 HydrophobicContact SD-CD1 4.2Å; M1755-F1796 HydrophobicContact SD-CE1 3.72Å; M1755-F1796 HydrophobicContact SD-CE2 4.38Å; M1755-F1796 HydrophobicContact SD-CZ 3.85Å; L1773-F1796 HydrophobicContact CD2-CE1 4.37Å; L1773-F1796 HydrophobicContact CD2-CZ 4Å; M1777-F1796 HydrophobicContact CE-CE2 4.34Å; M1777-F1796 HydrophobicContact SD-CE2 4.42Å; M1777-F1796 HydrophobicContact SD-CZ 4.15Å; V1792-F1796 HydrophobicContact CG1-CD2 3.69Å; V1792-F1796 HydrophobicContact CG1-CE2 3.57Å; V1792-F1796 VanDerWaalsContact O-CD2 3.27Å; V1792-F1796 WeakPolarHBondContact O-CD2 3.45Å; V1792-F1796 PolarHBondContact O-N 2.95Å; V1793-F1796 PolarHBondContact O-N 2.98Å; G1794-F1796 VanDerWaalsContact C-N 3.35Å; G1794-F1796 PolarHBondContact O-N 3.43Å; F1796-S1798 VanDerWaalsContact C-N 3.28Å; F1796-S1798 PolarHBondContact O-N 3.27Å; F1796-F1799 HydrophobicContact CD1-CD1 4.37Å; F1796-F1799 PolarHBondContact O-N 3.37Å; F1796-F1800 HydrophobicContact CB-CD2 4.37Å; F1796-F1800 HydrophobicContact CB-CE2 4.38Å; F1796-F1800 HydrophobicContact CD1-CE2 4.14Å; F1796-F1800 WeakPolarHBondContact O-CD2 3.4Å; F1796-F1800 PolarHBondContact O-N 3.03Å; F1796-I1820 HydrophobicContact CD1-CG2 4.04Å; F1796-I1820 HydrophobicContact CE1-CG2 3.54Å; F1796-I1820 HydrophobicContact CZ-CG2 3.84Å; F1796-L1824 HydrophobicContact CB-CD1 3.74Å; F1796-L1824 HydrophobicContact CD1-CD1 4.17Å; F1796-L1824 HydrophobicContact CD2-CD1 3.87Å; F1796-L1824 HydrophobicContact CD2-CD2 3.55Å; F1796-L1824 HydrophobicContact CD2-CG 4.27Å; F1796-L1824 HydrophobicContact CE2-CD1 4.48Å; F1796-L1824 HydrophobicContact CE2-CD2 3.94Å; F1796-L1824 HydrophobicContact CG-CD1 3.68Å; F1796-L1824 HydrophobicContact CG-CD2 4.22Å |
| 1797 | D | 85.1 | Confident | 82.6 | Confident | 8 Ų | 8 | 48.6 Ų | 48.6 | 4% | 0.043 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.5 | -43.3 | 173.7 | -169.8 | -0.3 | 0 | 0 | 0 | 110.4 | V1793 G1794 R1801 T1836 S1838 L1839 T1842 | V1793-D1797 PolarHBondContact O-N 3.11Å; G1794-D1797 PolarHBondContact O-N 3.34Å; D1797-R1801 VanDerWaalsContact O-CG 3.31Å; D1797-R1801 WeakPolarHBondContact O-CG 3.19Å; D1797-R1801 PolarHBondContact O-N 2.71Å; D1797-R1801 VanDerWaalsContact O-N 3.16Å; D1797-R1801 IonicContact OD1-CZ 3.94Å; D1797-R1801 IonicContact OD1-NE 2.95Å; D1797-R1801 PolarHBondContact OD1-NE 3.32Å; D1797-R1801 IonicContact OD1-NH2 2.6Å; D1797-R1801 PolarHBondContact OD1-NH2 2.74Å; D1797-R1801 IonicContact OD2-CZ 2.69Å; D1797-R1801 IonicContact OD2-NH2 3.73Å; D1797-R1801 PolarHBondContact OD2-NH2 3.35Å; D1797-T1836 PolarHBondContact OD2-OG1 3.25Å; D1797-S1838 PolarHBondContact OD2-OG 3.16Å; D1797-L1839 HydrophobicContact CB-CB 4.29Å; D1797-L1839 HydrophobicContact CB-CD1 3.94Å; D1797-L1839 PolarHBondContact OD2-N 2.97Å; D1797-T1842 PolarHBondContact OD1-OG1 3.08Å |
| 1798 | S | 83.9 | Confident | 81.9 | Confident | 57 Ų | 57 | 46.4 Ų | 46.4 | 40% | 0.399 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.3 | -46.9 | 172.8 | -62.4 | 0 | 0 | 0 | 0 | 112.9 | G1794 C1795 F1796 R1801 C1802 | G1794-S1798 PolarHBondContact O-N 3.46Å; G1794-S1798 PolarHBondContact O-OG 3.16Å; C1795-S1798 PolarHBondContact O-N 3.48Å; F1796-S1798 VanDerWaalsContact C-N 3.28Å; F1796-S1798 PolarHBondContact O-N 3.27Å; S1798-R1801 PolarHBondContact O-N 2.91Å; S1798-C1802 PolarHBondContact O-N 3.25Å; S1798-C1802 PolarHBondContact O-SG 3.32Å |
| 1799 | F | 86.5 | Confident | 81.1 | Confident | 43 Ų | 43 | 51 Ų | 51 | 19% | 0.189 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 179.5 | 177.7 | -107.1 | 0 | 0 | 0 | 112.8 | M1755 L1770 C1795 F1796 R1801 C1802 L1803 L1817 | M1755-F1799 HydrophobicContact CE-CB 3.8Å; M1755-F1799 HydrophobicContact CE-CG 4.13Å; L1770-F1799 HydrophobicContact CD2-CE1 4.22Å; L1770-F1799 HydrophobicContact CD2-CZ 4.15Å; C1795-F1799 WeakPolarHBondContact O-CB 3.44Å; C1795-F1799 PolarHBondContact O-N 2.97Å; F1796-F1799 HydrophobicContact CD1-CD1 4.37Å; F1796-F1799 PolarHBondContact O-N 3.37Å; F1799-R1801 VanDerWaalsContact C-N 3.31Å; F1799-R1801 PolarHBondContact O-N 3.25Å; F1799-C1802 PolarHBondContact O-N 3.15Å; F1799-L1803 HydrophobicContact CD1-CD1 3.91Å; F1799-L1803 HydrophobicContact CE1-CD1 3.4Å; F1799-L1803 VanDerWaalsContact CE1-CD1 3.4Å; F1799-L1803 HydrophobicContact CE1-CG 4.35Å; F1799-L1803 HydrophobicContact CE2-CD1 4.45Å; F1799-L1803 HydrophobicContact CZ-CD1 3.72Å; F1799-L1803 HydrophobicContact CZ-CG 4.28Å; F1799-L1803 PolarHBondContact O-N 3.33Å; F1799-L1817 HydrophobicContact CE1-CD2 3.98Å |
| 1800 | F | 84.7 | Confident | 80.4 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.009 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.8 | -31.2 | 177.1 | -78.4 | -69.4 | 0 | 0 | 0 | 112.7 | F1796 L1803 L1804 L1817 I1820 L1821 L1824 T1842 F1846 | F1796-F1800 HydrophobicContact CB-CD2 4.37Å; F1796-F1800 HydrophobicContact CB-CE2 4.38Å; F1796-F1800 HydrophobicContact CD1-CE2 4.14Å; F1796-F1800 WeakPolarHBondContact O-CD2 3.4Å; F1796-F1800 PolarHBondContact O-N 3.03Å; F1800-L1803 HydrophobicContact CD1-CD1 4.28Å; F1800-L1804 WeakPolarHBondContact O-CG 3.49Å; F1800-L1804 PolarHBondContact O-N 2.94Å; F1800-L1817 HydrophobicContact CE1-CB 4.32Å; F1800-L1817 HydrophobicContact CE1-CD2 3.97Å; F1800-L1817 HydrophobicContact CZ-CD2 4.26Å; F1800-I1820 HydrophobicContact CZ-CG2 4.43Å; F1800-L1821 HydrophobicContact CD2-CD2 4.19Å; F1800-L1821 HydrophobicContact CE1-CD1 4.16Å; F1800-L1821 HydrophobicContact CE1-CD2 4.22Å; F1800-L1821 HydrophobicContact CE1-CG 4.1Å; F1800-L1821 HydrophobicContact CE2-CD2 3.61Å; F1800-L1821 HydrophobicContact CE2-CG 4.08Å; F1800-L1821 HydrophobicContact CZ-CD1 4.17Å; F1800-L1821 HydrophobicContact CZ-CD2 3.64Å; F1800-L1821 HydrophobicContact CZ-CG 3.59Å; F1800-L1824 HydrophobicContact CE2-CD1 4.17Å; F1800-T1842 HydrophobicContact CB-CG2 3.58Å; F1800-F1846 HydrophobicContact CD1-CD1 4.44Å; F1800-F1846 HydrophobicContact CD1-CD2 4.42Å; F1800-F1846 HydrophobicContact CD1-CE1 4.45Å; F1800-F1846 HydrophobicContact CD1-CE2 4.45Å; F1800-F1846 HydrophobicContact CD1-CG 4.42Å; F1800-F1846 HydrophobicContact CD1-CZ 4.48Å; F1800-F1846 HydrophobicContact CE1-CD1 4.47Å; F1800-F1846 HydrophobicContact CE1-CE1 4.16Å; F1800-F1846 HydrophobicContact CE1-CZ 4.29Å |
| 1801 | R | 85.2 | Confident | 79.9 | Confident | 118 Ų | 118 | 49.4 Ų | 49.4 | 45% | 0.445 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69.3 | -36.6 | 171.5 | -71.6 | -178.9 | -155 | 170.8 | 14.2 | 113.1 | D1797 S1798 F1799 L1804 S1805 S1838 T1842 | D1797-R1801 VanDerWaalsContact O-CG 3.31Å; D1797-R1801 WeakPolarHBondContact O-CG 3.19Å; D1797-R1801 PolarHBondContact O-N 2.71Å; D1797-R1801 VanDerWaalsContact O-N 3.16Å; D1797-R1801 IonicContact OD1-CZ 3.94Å; D1797-R1801 IonicContact OD1-NE 2.95Å; D1797-R1801 PolarHBondContact OD1-NE 3.32Å; D1797-R1801 IonicContact OD1-NH2 2.6Å; D1797-R1801 PolarHBondContact OD1-NH2 2.74Å; D1797-R1801 IonicContact OD2-CZ 2.69Å; D1797-R1801 IonicContact OD2-NH2 3.73Å; D1797-R1801 PolarHBondContact OD2-NH2 3.35Å; S1798-R1801 PolarHBondContact O-N 2.91Å; F1799-R1801 VanDerWaalsContact C-N 3.31Å; F1799-R1801 PolarHBondContact O-N 3.25Å; R1801-L1804 PolarHBondContact O-N 3.09Å; R1801-S1805 PolarHBondContact O-N 2.85Å; R1801-S1838 PolarHBondContact NH2-OG 2.76Å; R1801-S1838 VanDerWaalsContact NH2-OG 3.15Å; R1801-T1842 HydrophobicContact CG-CG2 3.72Å; R1801-T1842 PolarHBondContact NE-OG1 2.86Å |
| 1802 | C | 82.6 | Confident | 79.4 | Confident | 76 Ų | 76 | 52.2 Ų | 52.2 | 51% | 0.514 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.4 | -47.9 | 173.1 | -68.8 | 0 | 0 | 0 | 0 | 110.9 | S1798 F1799 L1804 S1805 E1806 | S1798-C1802 PolarHBondContact O-N 3.25Å; S1798-C1802 PolarHBondContact O-SG 3.32Å; F1799-C1802 PolarHBondContact O-N 3.15Å; C1802-L1804 PolarHBondContact O-N 3.39Å; C1802-S1805 WeakPolarHBondContact O-CA 3.5Å; C1802-S1805 WeakPolarHBondContact O-CB 3.41Å; C1802-S1805 PolarHBondContact O-N 2.84Å; C1802-S1805 PolarHBondContact O-OG 3.21Å; C1802-E1806 PolarHBondContact O-N 3.26Å |
| 1803 | L | 79.2 | Confident | 79 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 10% | 0.099 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.1 | -36.4 | 174 | -80.9 | 169.6 | 0 | 0 | 0 | 113 | F1799 F1800 S1805 E1806 L1817 | F1799-L1803 HydrophobicContact CD1-CD1 3.91Å; F1799-L1803 HydrophobicContact CE1-CD1 3.4Å; F1799-L1803 VanDerWaalsContact CE1-CD1 3.4Å; F1799-L1803 HydrophobicContact CE1-CG 4.35Å; F1799-L1803 HydrophobicContact CE2-CD1 4.45Å; F1799-L1803 HydrophobicContact CZ-CD1 3.72Å; F1799-L1803 HydrophobicContact CZ-CG 4.28Å; F1799-L1803 PolarHBondContact O-N 3.33Å; F1800-L1803 HydrophobicContact CD1-CD1 4.28Å; L1803-S1805 PolarHBondContact O-N 2.98Å; L1803-E1806 PolarHBondContact O-N 2.77Å; L1803-L1817 HydrophobicContact CD1-CD1 4.11Å; L1803-L1817 HydrophobicContact CD1-CD2 4.06Å |
| 1804 | L | 79.4 | Confident | 78.9 | Confident | 59 Ų | 59 | 55 Ų | 55 | 31% | 0.309 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -18.1 | 174.6 | -81.2 | 166.9 | 0 | 0 | 0 | 114.5 | F1800 R1801 C1802 T1842 K1845 F1846 R1849 | F1800-L1804 WeakPolarHBondContact O-CG 3.49Å; F1800-L1804 PolarHBondContact O-N 2.94Å; R1801-L1804 PolarHBondContact O-N 3.09Å; C1802-L1804 PolarHBondContact O-N 3.39Å; L1804-T1842 HydrophobicContact CD1-CG2 3.93Å; L1804-K1845 HydrophobicContact CD1-CB 3.85Å; L1804-K1845 HydrophobicContact CD2-CB 4.27Å; L1804-F1846 HydrophobicContact CD1-CB 4.4Å; L1804-F1846 HydrophobicContact CD2-CB 4.34Å; L1804-F1846 HydrophobicContact CD2-CD2 4.39Å; L1804-F1846 HydrophobicContact CG-CD2 4.48Å; L1804-R1849 HydrophobicContact CD2-CB 4.46Å |
| 1805 | S | 76.6 | Confident | 78.7 | Confident | 97 Ų | 97 | 56.1 Ų | 56.1 | 68% | 0.678 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -16.6 | 177.2 | 74 | 0 | 0 | 0 | 0 | 113.6 | R1801 C1802 L1803 | R1801-S1805 PolarHBondContact O-N 2.85Å; C1802-S1805 WeakPolarHBondContact O-CA 3.5Å; C1802-S1805 WeakPolarHBondContact O-CB 3.41Å; C1802-S1805 PolarHBondContact O-N 2.84Å; C1802-S1805 PolarHBondContact O-OG 3.21Å; L1803-S1805 PolarHBondContact O-N 2.98Å |
| 1806 | E | 69.6 | Low | 78.7 | Confident | 111 Ų | 111 | 57.8 Ų | 57.8 | 52% | 0.519 | 33% | 0.334 | S | S | . | . | trans | -80.6 | 141.1 | 176.7 | -66.3 | -167.2 | 176.9 | 0 | 0 | 112 | C1802 L1803 S1808 | C1802-E1806 PolarHBondContact O-N 3.26Å; L1803-E1806 PolarHBondContact O-N 2.77Å; E1806-S1808 VanDerWaalsContact C-N 3.34Å; E1806-S1808 WeakPolarHBondContact CB-OG 3.47Å; E1806-S1808 PolarHBondContact OE2-OG 3.06Å | ||
| 1807 | A | 59 | Low | 78.7 | Confident | 104 Ų | 104 | 57.8 Ų | 57.8 | 86% | 0.86 | 33% | 0.334 | S | S | * | . | trans | -94.1 | 9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1808 | S | 69.3 | Low | 78.7 | Confident | 49 Ų | 49 | 57.6 Ų | 57.6 | 34% | 0.343 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -68.5 | 157 | 179.6 | 47.3 | 0 | 0 | 0 | 0 | 111.8 | E1806 I1810 | E1806-S1808 VanDerWaalsContact C-N 3.34Å; E1806-S1808 WeakPolarHBondContact CB-OG 3.47Å; E1806-S1808 PolarHBondContact OE2-OG 3.06Å; S1808-I1810 PolarHBondContact O-N 2.96Å |
| 1809 | D | 68.8 | Low | 78.8 | Confident | 123 Ų | 123 | 58.8 Ų | 58.8 | 66% | 0.658 | 34% | 0.335 | S | S | * | . | trans | -77.8 | 115.6 | 171.5 | -173.1 | 2.4 | 0 | 0 | 0 | 109.7 | G1811 Y1854 | D1809-G1811 VanDerWaalsContact C-N 3.31Å; D1809-G1811 PolarHBondContact OD1-N 3.14Å; D1809-Y1854 VanDerWaalsContact OD1-CE1 3.27Å; D1809-Y1854 WeakPolarHBondContact OD1-CE1 3.13Å; D1809-Y1854 PolarHBondContact OD1-OH 3.37Å | ||
| 1810 | I | 73.8 | Confident | 78.9 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 4% | 0.036 | 33% | 0.326 | C | S | . | . | trans | -85.7 | -5.3 | -176.3 | -51.9 | 179.7 | 0 | 0 | 0 | 111.2 | S1808 L1812 Y1813 V1814 L1817 Y1854 | S1808-I1810 PolarHBondContact O-N 2.96Å; I1810-L1812 VanDerWaalsContact C-N 3.34Å; I1810-L1812 PolarHBondContact O-N 3.31Å; I1810-L1812 VanDerWaalsContact O-N 3.08Å; I1810-Y1813 HydrophobicContact CB-CD2 4.47Å; I1810-Y1813 HydrophobicContact CG2-CD2 4.03Å; I1810-Y1813 WeakPolarHBondContact O-CB 3.44Å; I1810-Y1813 WeakPolarHBondContact O-CD2 3.46Å; I1810-Y1813 PolarHBondContact O-N 3.28Å; I1810-V1814 HydrophobicContact CG2-CG2 4.43Å; I1810-V1814 PolarHBondContact O-N 2.95Å; I1810-L1817 HydrophobicContact CG2-CD1 3.73Å; I1810-Y1854 PolarHBondContact N-OH 3Å | ||
| 1811 | G | 74 | Confident | 79 | Confident | 29 Ų | 29 | 56.9 Ų | 56.9 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -48.3 | -44 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | D1809 Y1813 V1814 | D1809-G1811 VanDerWaalsContact C-N 3.31Å; D1809-G1811 PolarHBondContact OD1-N 3.14Å; G1811-Y1813 VanDerWaalsContact C-N 3.26Å; G1811-Y1813 PolarHBondContact O-N 3.01Å; G1811-V1814 PolarHBondContact O-N 2.63Å |
| 1812 | L | 76.8 | Confident | 79.1 | Confident | 136 Ų | 136 | 52.1 Ų | 52.1 | 71% | 0.712 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -67.2 | -22.3 | 178.9 | -68.3 | 171.2 | 0 | 0 | 0 | 113.9 | I1810 | I1810-L1812 VanDerWaalsContact C-N 3.34Å; I1810-L1812 PolarHBondContact O-N 3.31Å; I1810-L1812 VanDerWaalsContact O-N 3.08Å |
| 1813 | Y | 80.1 | Confident | 79.2 | Confident | 55 Ų | 55 | 49.2 Ų | 49.2 | 22% | 0.216 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -91.8 | -18.5 | -178.7 | -47.9 | -68.5 | 0 | 0 | 0 | 113.3 | T1766 V1767 L1770 I1810 G1811 H1816 L1817 | T1766-Y1813 HydrophobicContact CG2-CE1 4.44Å; V1767-Y1813 HydrophobicContact CB-CD1 4.44Å; V1767-Y1813 HydrophobicContact CB-CE1 4.1Å; V1767-Y1813 HydrophobicContact CG2-CD1 3.97Å; V1767-Y1813 HydrophobicContact CG2-CE1 3.34Å; L1770-Y1813 HydrophobicContact CD1-CD1 3.75Å; L1770-Y1813 HydrophobicContact CD1-CE1 4.47Å; L1770-Y1813 HydrophobicContact CD1-CG 4.21Å; I1810-Y1813 HydrophobicContact CB-CD2 4.47Å; I1810-Y1813 HydrophobicContact CG2-CD2 4.03Å; I1810-Y1813 WeakPolarHBondContact O-CB 3.44Å; I1810-Y1813 WeakPolarHBondContact O-CD2 3.46Å; I1810-Y1813 PolarHBondContact O-N 3.28Å; G1811-Y1813 VanDerWaalsContact C-N 3.26Å; G1811-Y1813 PolarHBondContact O-N 3.01Å; Y1813-H1816 PolarHBondContact O-N 3.47Å; Y1813-H1816 VanDerWaalsContact O-N 3.08Å; Y1813-L1817 WeakPolarHBondContact O-CG 3.49Å; Y1813-L1817 PolarHBondContact O-N 3.13Å |
| 1814 | V | 82.4 | Confident | 79.5 | Confident | 12 Ų | 12 | 48.6 Ų | 48.6 | 7% | 0.073 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -52.6 | -48.8 | -167.4 | 177.6 | 0 | 0 | 0 | 0 | 113.4 | I1810 G1811 H1816 L1817 L1818 L1850 Y1854 L1856 | I1810-V1814 HydrophobicContact CG2-CG2 4.43Å; I1810-V1814 PolarHBondContact O-N 2.95Å; G1811-V1814 PolarHBondContact O-N 2.63Å; V1814-H1816 VanDerWaalsContact C-N 3.34Å; V1814-H1816 PolarHBondContact O-N 3.26Å; V1814-L1817 PolarHBondContact O-N 3.26Å; V1814-L1818 HydrophobicContact CG1-CD1 3.72Å; V1814-L1818 HydrophobicContact CG1-CG 4.3Å; V1814-L1818 WeakPolarHBondContact O-CB 3.44Å; V1814-L1818 VanDerWaalsContact O-CG 3.32Å; V1814-L1818 WeakPolarHBondContact O-CG 3.36Å; V1814-L1818 PolarHBondContact O-N 3.17Å; V1814-L1850 HydrophobicContact CG1-CD1 4.46Å; V1814-L1850 HydrophobicContact CG1-CD2 4.04Å; V1814-L1850 HydrophobicContact CG2-CD2 3.91Å; V1814-Y1854 HydrophobicContact CG2-CD1 4.49Å; V1814-Y1854 HydrophobicContact CG2-CG 4.38Å; V1814-L1856 HydrophobicContact CG1-CD2 4.3Å |
| 1815 | P | 81.4 | Confident | 79.7 | Confident | 60 Ų | 60 | 46 Ų | 46 | 39% | 0.39 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | -179.7 | -22 | 34.7 | 0 | 0 | 0 | 112.8 | N1819 | P1815-N1819 PolarHBondContact O-N 3.24Å; P1815-N1819 VanDerWaalsContact O-N 3.07Å; P1815-N1819 PolarHBondContact O-ND2 2.96Å |
| 1816 | H | 87 | Confident | 80 | Confident | 49 Ų | 49 | 47 Ų | 47 | 23% | 0.227 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.3 | -41.9 | 179.2 | -56.1 | -61.3 | 0 | 0 | 0 | 111.5 | L1770 Y1813 V1814 N1819 I1820 | L1770-H1816 HydrophobicContact CB-CB 4.16Å; Y1813-H1816 PolarHBondContact O-N 3.47Å; Y1813-H1816 VanDerWaalsContact O-N 3.08Å; V1814-H1816 VanDerWaalsContact C-N 3.34Å; V1814-H1816 PolarHBondContact O-N 3.26Å; H1816-N1819 PolarHBondContact O-N 2.92Å; H1816-I1820 VanDerWaalsContact O-CG1 3.28Å; H1816-I1820 WeakPolarHBondContact O-CG1 3.16Å; H1816-I1820 PolarHBondContact O-N 3.5Å |
| 1817 | L | 87 | Confident | 80.5 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65 | -39.3 | 176.5 | -67.3 | 174.6 | 0 | 0 | 0 | 112.2 | L1770 F1799 F1800 L1803 I1810 Y1813 V1814 I1820 L1821 F1846 | L1770-L1817 HydrophobicContact CD1-CD2 4.02Å; L1770-L1817 HydrophobicContact CD2-CD2 4.28Å; F1799-L1817 HydrophobicContact CE1-CD2 3.98Å; F1800-L1817 HydrophobicContact CE1-CB 4.32Å; F1800-L1817 HydrophobicContact CE1-CD2 3.97Å; F1800-L1817 HydrophobicContact CZ-CD2 4.26Å; L1803-L1817 HydrophobicContact CD1-CD1 4.11Å; L1803-L1817 HydrophobicContact CD1-CD2 4.06Å; I1810-L1817 HydrophobicContact CG2-CD1 3.73Å; Y1813-L1817 WeakPolarHBondContact O-CG 3.49Å; Y1813-L1817 PolarHBondContact O-N 3.13Å; V1814-L1817 PolarHBondContact O-N 3.26Å; L1817-I1820 PolarHBondContact O-N 2.91Å; L1817-L1821 WeakPolarHBondContact O-CG 3.4Å; L1817-L1821 PolarHBondContact O-N 2.8Å; L1817-F1846 HydrophobicContact CB-CZ 4.31Å; L1817-F1846 HydrophobicContact CD1-CE2 4.46Å; L1817-F1846 HydrophobicContact CD1-CZ 3.85Å |
| 1818 | L | 85.9 | Confident | 81.2 | Confident | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.7 | -40.7 | 174.9 | -71.6 | 169.5 | 0 | 0 | 0 | 112.1 | V1814 L1821 N1822 L1850 L1856 E1860 L1864 | V1814-L1818 HydrophobicContact CG1-CD1 3.72Å; V1814-L1818 HydrophobicContact CG1-CG 4.3Å; V1814-L1818 WeakPolarHBondContact O-CB 3.44Å; V1814-L1818 VanDerWaalsContact O-CG 3.32Å; V1814-L1818 WeakPolarHBondContact O-CG 3.36Å; V1814-L1818 PolarHBondContact O-N 3.17Å; L1818-L1821 PolarHBondContact O-N 2.88Å; L1818-N1822 WeakPolarHBondContact O-CB 2.95Å; L1818-N1822 PolarHBondContact O-N 2.99Å; L1818-N1822 PolarHBondContact O-ND2 3.45Å; L1818-L1850 HydrophobicContact CD2-CD1 3.94Å; L1818-L1850 HydrophobicContact CG-CD1 4.46Å; L1818-L1856 HydrophobicContact CD1-CD2 4.17Å; L1818-E1860 HydrophobicContact CD1-CB 4.07Å; L1818-E1860 HydrophobicContact CD1-CG 3.93Å; L1818-E1860 WeakPolarHBondContact CD1-OE1 3.35Å; L1818-L1864 HydrophobicContact CD2-CD2 4.18Å |
| 1819 | N | 85.6 | Confident | 81.2 | Confident | 81 Ų | 81 | 38.1 Ų | 38.1 | 43% | 0.433 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.2 | -41.3 | 173.8 | -76.1 | -28.7 | 0 | 0 | 0 | 112.3 | P1815 H1816 N1822 N1823 | P1815-N1819 PolarHBondContact O-N 3.24Å; P1815-N1819 VanDerWaalsContact O-N 3.07Å; P1815-N1819 PolarHBondContact O-ND2 2.96Å; H1816-N1819 PolarHBondContact O-N 2.92Å; N1819-N1822 PolarHBondContact O-N 2.75Å; N1819-N1823 PolarHBondContact O-N 3.46Å; N1819-N1823 PolarHBondContact O-ND2 3.36Å |
| 1820 | I | 89 | Confident | 80.9 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.4 | -47.5 | 173.7 | -71 | 164.8 | 0 | 0 | 0 | 110.6 | L1770 L1773 M1777 F1796 F1800 H1816 L1817 N1822 N1823 L1824 | L1770-I1820 HydrophobicContact CD2-CD1 3.8Å; L1773-I1820 HydrophobicContact CD2-CD1 4.44Å; L1773-I1820 HydrophobicContact CG-CD1 4.49Å; M1777-I1820 HydrophobicContact SD-CG1 4.19Å; M1777-I1820 HydrophobicContact SD-CG2 4.23Å; F1796-I1820 HydrophobicContact CD1-CG2 4.04Å; F1796-I1820 HydrophobicContact CE1-CG2 3.54Å; F1796-I1820 HydrophobicContact CZ-CG2 3.84Å; F1800-I1820 HydrophobicContact CZ-CG2 4.43Å; H1816-I1820 VanDerWaalsContact O-CG1 3.28Å; H1816-I1820 WeakPolarHBondContact O-CG1 3.16Å; H1816-I1820 PolarHBondContact O-N 3.5Å; L1817-I1820 PolarHBondContact O-N 2.91Å; I1820-N1822 PolarHBondContact O-N 2.86Å; I1820-N1823 PolarHBondContact O-N 2.71Å; I1820-L1824 HydrophobicContact CG2-CD1 3.93Å; I1820-L1824 HydrophobicContact CG2-CG 4.39Å; I1820-L1824 WeakPolarHBondContact O-CG 3.3Å; I1820-L1824 PolarHBondContact O-N 2.84Å |
| 1821 | L | 86.8 | Confident | 80.3 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.4 | -44.7 | 176.5 | -76.1 | 169.8 | 0 | 0 | 0 | 112.5 | F1800 L1817 L1818 N1823 L1824 F1825 F1846 L1864 | F1800-L1821 HydrophobicContact CD2-CD2 4.19Å; F1800-L1821 HydrophobicContact CE1-CD1 4.16Å; F1800-L1821 HydrophobicContact CE1-CD2 4.22Å; F1800-L1821 HydrophobicContact CE1-CG 4.1Å; F1800-L1821 HydrophobicContact CE2-CD2 3.61Å; F1800-L1821 HydrophobicContact CE2-CG 4.08Å; F1800-L1821 HydrophobicContact CZ-CD1 4.17Å; F1800-L1821 HydrophobicContact CZ-CD2 3.64Å; F1800-L1821 HydrophobicContact CZ-CG 3.59Å; L1817-L1821 WeakPolarHBondContact O-CG 3.4Å; L1817-L1821 PolarHBondContact O-N 2.8Å; L1818-L1821 PolarHBondContact O-N 2.88Å; L1821-N1823 VanDerWaalsContact C-N 3.33Å; L1821-N1823 PolarHBondContact O-N 2.94Å; L1821-L1824 PolarHBondContact O-N 2.84Å; L1821-F1825 WeakPolarHBondContact O-CD2 3.44Å; L1821-F1825 PolarHBondContact O-N 2.79Å; L1821-F1846 HydrophobicContact CD1-CD1 3.86Å; L1821-F1846 HydrophobicContact CD1-CE1 3.89Å; L1821-L1864 HydrophobicContact CB-CD1 3.91Å |
| 1822 | N | 86.2 | Confident | 79.7 | Confident | 17 Ų | 17 | 43.2 Ų | 43.2 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.8 | -44.5 | 174.5 | -90.7 | -40.9 | 0 | 0 | 0 | 111.7 | L1818 N1819 I1820 F1825 R1826 S1863 L1864 S1867 | L1818-N1822 WeakPolarHBondContact O-CB 2.95Å; L1818-N1822 PolarHBondContact O-N 2.99Å; L1818-N1822 PolarHBondContact O-ND2 3.45Å; N1819-N1822 PolarHBondContact O-N 2.75Å; I1820-N1822 PolarHBondContact O-N 2.86Å; N1822-F1825 PolarHBondContact O-N 2.74Å; N1822-R1826 WeakPolarHBondContact O-CG 3.49Å; N1822-R1826 PolarHBondContact O-N 3.33Å; N1822-R1826 VanDerWaalsContact O-N 3.12Å; N1822-S1863 PolarHBondContact ND2-OG 2.92Å; N1822-S1863 VanDerWaalsContact ND2-OG 3.14Å; N1822-S1863 VanDerWaalsContact OD1-C 3.29Å; N1822-S1863 PolarHBondContact OD1-O 3.18Å; N1822-L1864 WeakPolarHBondContact OD1-CA 3.27Å; N1822-L1864 PolarHBondContact OD1-N 2.58Å; N1822-S1867 WeakPolarHBondContact OD1-CB 3.17Å; N1822-S1867 PolarHBondContact OD1-OG 2.75Å |
| 1823 | N | 86.5 | Confident | 79.1 | Confident | 16 Ų | 16 | 37 Ų | 37 | 9% | 0.086 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.5 | -40.8 | 177.5 | -70.1 | -26.4 | 0 | 0 | 0 | 112.4 | M1777 Y1782 N1819 I1820 L1821 F1825 R1826 V1827 | M1777-N1823 HydrophobicContact CB-CB 4.3Å; M1777-N1823 HydrophobicContact CE-CB 3.93Å; Y1782-N1823 PolarHBondContact OH-OD1 3.46Å; N1819-N1823 PolarHBondContact O-N 3.46Å; N1819-N1823 PolarHBondContact O-ND2 3.36Å; I1820-N1823 PolarHBondContact O-N 2.71Å; L1821-N1823 VanDerWaalsContact C-N 3.33Å; L1821-N1823 PolarHBondContact O-N 2.94Å; N1823-F1825 VanDerWaalsContact C-N 3.35Å; N1823-F1825 PolarHBondContact O-N 3.11Å; N1823-R1826 WeakPolarHBondContact O-CB 3.32Å; N1823-R1826 PolarHBondContact O-N 3.14Å; N1823-R1826 VanDerWaalsContact O-N 3.17Å; N1823-V1827 PolarHBondContact O-N 2.98Å; N1823-V1827 VanDerWaalsContact O-N 3.08Å |
| 1824 | L | 85.6 | Confident | 78.1 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.7 | -40.8 | 175.4 | -69.4 | 170.2 | 0 | 0 | 0 | 112.2 | M1777 V1793 F1796 F1800 I1820 L1821 R1826 V1827 S1828 | M1777-L1824 HydrophobicContact CE-CD2 4.03Å; M1777-L1824 HydrophobicContact CE-CG 4.23Å; V1793-L1824 HydrophobicContact CG2-CD2 4.1Å; F1796-L1824 HydrophobicContact CB-CD1 3.74Å; F1796-L1824 HydrophobicContact CD1-CD1 4.17Å; F1796-L1824 HydrophobicContact CD2-CD1 3.87Å; F1796-L1824 HydrophobicContact CD2-CD2 3.55Å; F1796-L1824 HydrophobicContact CD2-CG 4.27Å; F1796-L1824 HydrophobicContact CE2-CD1 4.48Å; F1796-L1824 HydrophobicContact CE2-CD2 3.94Å; F1796-L1824 HydrophobicContact CG-CD1 3.68Å; F1796-L1824 HydrophobicContact CG-CD2 4.22Å; F1800-L1824 HydrophobicContact CE2-CD1 4.17Å; I1820-L1824 HydrophobicContact CG2-CD1 3.93Å; I1820-L1824 HydrophobicContact CG2-CG 4.39Å; I1820-L1824 WeakPolarHBondContact O-CG 3.3Å; I1820-L1824 PolarHBondContact O-N 2.84Å; L1821-L1824 PolarHBondContact O-N 2.84Å; L1824-R1826 VanDerWaalsContact C-N 3.33Å; L1824-R1826 PolarHBondContact O-N 3.32Å; L1824-V1827 WeakPolarHBondContact O-CB 3.31Å; L1824-V1827 PolarHBondContact O-N 3.1Å; L1824-S1828 PolarHBondContact O-N 3.34Å |
| 1825 | F | 83.5 | Confident | 77.1 | Confident | 5 Ų | 5 | 45.3 Ų | 45.3 | 2% | 0.022 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.5 | -35.9 | 175.2 | -77.7 | -53.7 | 0 | 0 | 0 | 112.4 | L1821 N1822 N1823 V1827 S1828 N1829 C1843 L1864 A1871 F1872 L1881 | L1821-F1825 WeakPolarHBondContact O-CD2 3.44Å; L1821-F1825 PolarHBondContact O-N 2.79Å; N1822-F1825 PolarHBondContact O-N 2.74Å; N1823-F1825 VanDerWaalsContact C-N 3.35Å; N1823-F1825 PolarHBondContact O-N 3.11Å; F1825-V1827 VanDerWaalsContact C-N 3.34Å; F1825-V1827 PolarHBondContact O-N 3.28Å; F1825-S1828 VanDerWaalsContact CA-OG 3.29Å; F1825-S1828 WeakPolarHBondContact CA-OG 3.49Å; F1825-S1828 PolarHBondContact O-N 3.13Å; F1825-S1828 VanDerWaalsContact O-N 3.15Å; F1825-S1828 PolarHBondContact O-OG 3.36Å; F1825-N1829 PolarHBondContact O-N 3.1Å; F1825-C1843 HydrophobicContact CZ-CB 4.32Å; F1825-L1864 HydrophobicContact CD2-CD1 4.04Å; F1825-L1864 HydrophobicContact CE2-CD1 3.82Å; F1825-A1871 HydrophobicContact CB-CB 4.25Å; F1825-A1871 HydrophobicContact CD1-CB 3.88Å; F1825-A1871 HydrophobicContact CG-CB 4.48Å; F1825-F1872 HydrophobicContact CD1-CE2 4.29Å; F1825-F1872 AromaticContact CE1-CE2 3.95Å; F1825-F1872 HydrophobicContact CE1-CE2 3.95Å; F1825-L1881 HydrophobicContact CE2-CD1 3.8Å; F1825-L1881 HydrophobicContact CZ-CD1 3.83Å |
| 1826 | R | 81.7 | Confident | 76.3 | Confident | 118 Ų | 118 | 45.1 Ų | 45.1 | 45% | 0.445 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.8 | -36.5 | 174.7 | -68 | 173.1 | 81 | -173.3 | 8.5 | 112.8 | N1822 N1823 L1824 N1829 | N1822-R1826 WeakPolarHBondContact O-CG 3.49Å; N1822-R1826 PolarHBondContact O-N 3.33Å; N1822-R1826 VanDerWaalsContact O-N 3.12Å; N1823-R1826 WeakPolarHBondContact O-CB 3.32Å; N1823-R1826 PolarHBondContact O-N 3.14Å; N1823-R1826 VanDerWaalsContact O-N 3.17Å; L1824-R1826 VanDerWaalsContact C-N 3.33Å; L1824-R1826 PolarHBondContact O-N 3.32Å; R1826-N1829 WeakPolarHBondContact O-CB 3.45Å; R1826-N1829 PolarHBondContact O-N 3.39Å; R1826-N1829 PolarHBondContact O-ND2 3.45Å |
| 1827 | V | 79.8 | Confident | 75.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 170.9 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | Y1782 W1789 N1823 L1824 F1825 N1829 F1830 I1833 | Y1782-V1827 HydrophobicContact CD1-CG2 3.42Å; Y1782-V1827 VanDerWaalsContact CD1-CG2 3.42Å; Y1782-V1827 HydrophobicContact CE1-CG2 4.22Å; Y1782-V1827 HydrophobicContact CG-CG2 4.09Å; W1789-V1827 HydrophobicContact CB-CG1 3.84Å; W1789-V1827 HydrophobicContact CD2-CB 4.48Å; W1789-V1827 HydrophobicContact CD2-CG1 3.71Å; W1789-V1827 HydrophobicContact CD2-CG2 3.87Å; W1789-V1827 HydrophobicContact CE3-CB 4.5Å; W1789-V1827 HydrophobicContact CE3-CG1 3.94Å; W1789-V1827 HydrophobicContact CE3-CG2 3.9Å; W1789-V1827 HydrophobicContact CG-CG1 3.71Å; W1789-V1827 HydrophobicContact CH2-CG2 3.85Å; W1789-V1827 HydrophobicContact CZ2-CG2 3.79Å; W1789-V1827 HydrophobicContact CZ3-CG2 3.91Å; N1823-V1827 PolarHBondContact O-N 2.98Å; N1823-V1827 VanDerWaalsContact O-N 3.08Å; L1824-V1827 WeakPolarHBondContact O-CB 3.31Å; L1824-V1827 PolarHBondContact O-N 3.1Å; F1825-V1827 VanDerWaalsContact C-N 3.34Å; F1825-V1827 PolarHBondContact O-N 3.28Å; V1827-N1829 PolarHBondContact O-N 2.89Å; V1827-F1830 WeakPolarHBondContact O-CD2 3.43Å; V1827-F1830 PolarHBondContact O-N 3.33Å; V1827-I1833 HydrophobicContact CG1-CD1 3.43Å; V1827-I1833 VanDerWaalsContact CG1-CD1 3.43Å |
| 1828 | S | 73.4 | Confident | 75 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 4% | 0.035 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.8 | -5.6 | 179.9 | 61.8 | 0 | 0 | 0 | 0 | 116.2 | L1824 F1825 F1830 A1871 | L1824-S1828 PolarHBondContact O-N 3.34Å; F1825-S1828 VanDerWaalsContact CA-OG 3.29Å; F1825-S1828 WeakPolarHBondContact CA-OG 3.49Å; F1825-S1828 PolarHBondContact O-N 3.13Å; F1825-S1828 VanDerWaalsContact O-N 3.15Å; F1825-S1828 PolarHBondContact O-OG 3.36Å; S1828-F1830 PolarHBondContact O-N 3.05Å; S1828-A1871 WeakPolarHBondContact OG-CB 3.41Å |
| 1829 | N | 69.9 | Low | 74.8 | Confident | 72 Ų | 72 | 50 Ų | 50 | 39% | 0.385 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -23.5 | 169.4 | -67.8 | -32.1 | 0 | 0 | 0 | 112.5 | F1825 R1826 V1827 R1870 A1871 | F1825-N1829 PolarHBondContact O-N 3.1Å; R1826-N1829 WeakPolarHBondContact O-CB 3.45Å; R1826-N1829 PolarHBondContact O-N 3.39Å; R1826-N1829 PolarHBondContact O-ND2 3.45Å; V1827-N1829 PolarHBondContact O-N 2.89Å; N1829-R1870 PolarHBondContact OD1-O 3.46Å; N1829-R1870 VanDerWaalsContact OD1-O 3.06Å; N1829-A1871 VanDerWaalsContact OD1-CA 3.25Å; N1829-A1871 WeakPolarHBondContact OD1-CA 3.16Å; N1829-A1871 PolarHBondContact OD1-N 2.95Å; N1829-A1871 VanDerWaalsContact OD1-N 3.14Å |
| 1830 | F | 63.9 | Low | 74.7 | Confident | 74 Ų | 74 | 46.6 Ų | 46.6 | 33% | 0.325 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -82.6 | 116.6 | -179.9 | -64.8 | -76.9 | 0 | 0 | 0 | 111.3 | Y1782 D1783 L1786 V1827 S1828 S1832 I1833 | Y1782-F1830 WeakPolarHBondContact O-CD2 3.41Å; Y1782-F1830 VanDerWaalsContact O-CE2 3.29Å; Y1782-F1830 WeakPolarHBondContact O-CE2 3.43Å; D1783-F1830 HydrophobicContact CB-CE1 3.9Å; D1783-F1830 HydrophobicContact CB-CE2 4.3Å; D1783-F1830 HydrophobicContact CB-CZ 3.61Å; L1786-F1830 HydrophobicContact CD2-CB 3.92Å; L1786-F1830 HydrophobicContact CD2-CD2 4.34Å; L1786-F1830 HydrophobicContact CD2-CG 4.05Å; V1827-F1830 WeakPolarHBondContact O-CD2 3.43Å; V1827-F1830 PolarHBondContact O-N 3.33Å; S1828-F1830 PolarHBondContact O-N 3.05Å; F1830-S1832 PolarHBondContact O-N 2.95Å; F1830-I1833 PolarHBondContact O-N 3.41Å |
| 1831 | S | 60.2 | Low | 74.6 | Confident | 122 Ų | 122 | 50.3 Ų | 50.3 | 85% | 0.853 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -16.5 | -171.7 | 61.6 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1832 | S | 62 | Low | 74.6 | Confident | 71 Ų | 71 | 50.2 Ų | 50.2 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -38.7 | 172.5 | 49.7 | 0 | 0 | 0 | 0 | 112.5 | F1830 R1834 | F1830-S1832 PolarHBondContact O-N 2.95Å; S1832-R1834 VanDerWaalsContact C-N 3.26Å; S1832-R1834 PolarHBondContact O-N 3.16Å |
| 1833 | I | 62.6 | Low | 74.7 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -82.7 | 79.6 | 177 | -55.2 | 172.1 | 0 | 0 | 0 | 106.7 | L1786 W1789 V1793 V1827 F1830 T1835 | L1786-I1833 HydrophobicContact CB-CD1 4.43Å; L1786-I1833 HydrophobicContact CB-CG1 4.36Å; L1786-I1833 HydrophobicContact CD2-CD1 3.72Å; L1786-I1833 HydrophobicContact CD2-CG1 4.21Å; W1789-I1833 HydrophobicContact CB-CD1 3.54Å; W1789-I1833 HydrophobicContact CG-CD1 4.27Å; V1793-I1833 HydrophobicContact CG2-CG2 4.43Å; V1827-I1833 HydrophobicContact CG1-CD1 3.43Å; V1827-I1833 VanDerWaalsContact CG1-CD1 3.43Å; F1830-I1833 PolarHBondContact O-N 3.41Å; I1833-T1835 VanDerWaalsContact C-N 3.28Å; I1833-T1835 PolarHBondContact O-N 3.33Å |
| 1834 | R | 58.9 | Low | 74.8 | Confident | 222 Ų | 222 | 49.8 Ų | 49.8 | 84% | 0.838 | 27% | 0.266 | S | S | * | . | trans | -68.1 | 90.9 | 177.2 | -171.4 | -180 | -61.3 | -155.8 | 1.8 | 108.8 | S1832 T1836 | S1832-R1834 VanDerWaalsContact C-N 3.26Å; S1832-R1834 PolarHBondContact O-N 3.16Å; R1834-T1836 PolarHBondContact O-N 3.07Å | ||
| 1835 | T | 61.9 | Low | 75 | Confident | 20 Ų | 20 | 54.8 Ų | 54.8 | 12% | 0.123 | 29% | 0.288 | C | S | . | . | trans | -44.8 | 124.5 | 172.7 | 23.2 | 0 | 0 | 0 | 0 | 110 | I1833 F1872 | I1833-T1835 VanDerWaalsContact C-N 3.28Å; I1833-T1835 PolarHBondContact O-N 3.33Å; T1835-F1872 HydrophobicContact CG2-CE1 4.48Å; T1835-F1872 HydrophobicContact CG2-CZ 4.26Å; T1835-F1872 WeakPolarHBondContact OG1-CE1 3.48Å | ||
| 1836 | T | 65.4 | Low | 75.2 | Confident | 57 Ų | 57 | 54.8 Ų | 54.8 | 35% | 0.35 | 29% | 0.288 | S | S | . | . | trans | -63.8 | 133.8 | 175.2 | 51 | 0 | 0 | 0 | 0 | 107.8 | D1797 R1834 S1838 L1839 | D1797-T1836 PolarHBondContact OD2-OG1 3.25Å; R1834-T1836 PolarHBondContact O-N 3.07Å; T1836-S1838 WeakPolarHBondContact CB-OG 3.28Å; T1836-S1838 PolarHBondContact O-N 3.4Å; T1836-S1838 PolarHBondContact OG1-OG 3.19Å; T1836-S1838 VanDerWaalsContact OG1-OG 3.06Å; T1836-L1839 PolarHBondContact O-N 3.26Å; T1836-L1839 PolarHBondContact OG1-N 3.01Å | ||
| 1837 | P | 70.7 | Confident | 75.6 | Confident | 108 Ų | 108 | 49.3 Ų | 49.3 | 70% | 0.701 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -55.9 | -20.6 | 169.1 | -26.2 | 35.4 | 0 | 0 | 0 | 112.5 | D1841 | P1837-D1841 PolarHBondContact O-N 3Å |
| 1838 | S | 76.1 | Confident | 76 | Confident | 41 Ų | 41 | 50.2 Ų | 50.2 | 29% | 0.287 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.9 | -39.2 | 174.5 | 65.7 | 0 | 0 | 0 | 0 | 113.9 | D1797 R1801 T1836 L1840 D1841 T1842 | D1797-S1838 PolarHBondContact OD2-OG 3.16Å; R1801-S1838 PolarHBondContact NH2-OG 2.76Å; R1801-S1838 VanDerWaalsContact NH2-OG 3.15Å; T1836-S1838 WeakPolarHBondContact CB-OG 3.28Å; T1836-S1838 PolarHBondContact O-N 3.4Å; T1836-S1838 PolarHBondContact OG1-OG 3.19Å; T1836-S1838 VanDerWaalsContact OG1-OG 3.06Å; S1838-L1840 VanDerWaalsContact C-N 3.27Å; S1838-L1840 PolarHBondContact O-N 2.94Å; S1838-D1841 PolarHBondContact O-N 3.14Å; S1838-T1842 PolarHBondContact O-N 3.49Å; S1838-T1842 PolarHBondContact O-OG1 3.35Å |
| 1839 | L | 81.4 | Confident | 76.8 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 175.4 | 176 | 64.5 | 0 | 0 | 0 | 110.3 | V1793 D1797 T1836 D1841 T1842 C1843 | V1793-L1839 HydrophobicContact CG1-CD2 3.85Å; D1797-L1839 HydrophobicContact CB-CB 4.29Å; D1797-L1839 HydrophobicContact CB-CD1 3.94Å; D1797-L1839 PolarHBondContact OD2-N 2.97Å; T1836-L1839 PolarHBondContact O-N 3.26Å; T1836-L1839 PolarHBondContact OG1-N 3.01Å; L1839-D1841 PolarHBondContact O-N 3.16Å; L1839-T1842 WeakPolarHBondContact O-CB 3.36Å; L1839-T1842 PolarHBondContact O-N 3.45Å; L1839-C1843 WeakPolarHBondContact O-CB 3.48Å; L1839-C1843 PolarHBondContact O-N 2.72Å; L1839-C1843 PolarHBondContact O-SG 3.08Å |
| 1840 | L | 84.4 | Confident | 77.7 | Confident | 10 Ų | 10 | 52 Ų | 52 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 178.1 | -170.8 | 59.5 | 0 | 0 | 0 | 112 | S1838 C1843 C1844 F1872 T1880 L1881 | S1838-L1840 VanDerWaalsContact C-N 3.27Å; S1838-L1840 PolarHBondContact O-N 2.94Å; L1840-C1843 PolarHBondContact O-N 3.21Å; L1840-C1844 PolarHBondContact O-N 2.68Å; L1840-C1844 PolarHBondContact O-SG 3.41Å; L1840-C1844 VanDerWaalsContact O-SG 3.4Å; L1840-F1872 HydrophobicContact CB-CZ 4.28Å; L1840-F1872 HydrophobicContact CD1-CE2 3.93Å; L1840-F1872 HydrophobicContact CD1-CZ 4.18Å; L1840-F1872 HydrophobicContact CD2-CE1 4.32Å; L1840-F1872 HydrophobicContact CD2-CE2 4.18Å; L1840-F1872 HydrophobicContact CD2-CZ 3.98Å; L1840-F1872 HydrophobicContact CG-CZ 4.39Å; L1840-T1880 HydrophobicContact CD2-CG2 4.01Å; L1840-T1880 HydrophobicContact CG-CG2 4.07Å; L1840-L1881 HydrophobicContact CD1-CD2 4.3Å; L1840-L1881 HydrophobicContact CD1-CG 4.3Å |
| 1841 | D | 85 | Confident | 78.8 | Confident | 79 Ų | 79 | 48.4 Ų | 48.4 | 42% | 0.422 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 172.8 | 176.2 | 55.8 | 0 | 0 | 0 | 112.5 | P1837 S1838 L1839 C1844 K1845 | P1837-D1841 PolarHBondContact O-N 3Å; S1838-D1841 PolarHBondContact O-N 3.14Å; L1839-D1841 PolarHBondContact O-N 3.16Å; D1841-C1844 PolarHBondContact O-N 3.36Å; D1841-K1845 VanDerWaalsContact CG-NZ 3.27Å; D1841-K1845 WeakPolarHBondContact O-CG 3.34Å; D1841-K1845 PolarHBondContact O-N 2.84Å; D1841-K1845 VanDerWaalsContact OD1-CE 3.23Å; D1841-K1845 WeakPolarHBondContact OD1-CE 3.5Å; D1841-K1845 IonicContact OD1-NZ 3.91Å; D1841-K1845 PolarHBondContact OD1-NZ 3.14Å; D1841-K1845 WeakPolarHBondContact OD2-CE 3.28Å; D1841-K1845 IonicContact OD2-NZ 3.6Å; D1841-K1845 PolarHBondContact OD2-NZ 2.76Å |
| 1842 | T | 87 | Confident | 80.1 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.7 | -47.8 | 170.9 | -56.3 | 0 | 0 | 0 | 0 | 110.8 | D1797 F1800 R1801 L1804 S1838 L1839 C1844 K1845 F1846 | D1797-T1842 PolarHBondContact OD1-OG1 3.08Å; F1800-T1842 HydrophobicContact CB-CG2 3.58Å; R1801-T1842 HydrophobicContact CG-CG2 3.72Å; R1801-T1842 PolarHBondContact NE-OG1 2.86Å; L1804-T1842 HydrophobicContact CD1-CG2 3.93Å; S1838-T1842 PolarHBondContact O-N 3.49Å; S1838-T1842 PolarHBondContact O-OG1 3.35Å; L1839-T1842 WeakPolarHBondContact O-CB 3.36Å; L1839-T1842 PolarHBondContact O-N 3.45Å; T1842-C1844 PolarHBondContact O-N 2.69Å; T1842-K1845 PolarHBondContact O-N 3.05Å; T1842-F1846 WeakPolarHBondContact O-CB 3.22Å; T1842-F1846 PolarHBondContact O-N 3.07Å |
| 1843 | C | 88 | Confident | 81.1 | Confident | 6 Ų | 6 | 44.4 Ų | 44.4 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.3 | -37.9 | 177.6 | -69.6 | 0 | 0 | 0 | 0 | 112.7 | F1825 L1839 L1840 F1846 L1847 L1881 | F1825-C1843 HydrophobicContact CZ-CB 4.32Å; L1839-C1843 WeakPolarHBondContact O-CB 3.48Å; L1839-C1843 PolarHBondContact O-N 2.72Å; L1839-C1843 PolarHBondContact O-SG 3.08Å; L1840-C1843 PolarHBondContact O-N 3.21Å; C1843-F1846 PolarHBondContact O-N 3.49Å; C1843-L1847 WeakPolarHBondContact O-CB 3.42Å; C1843-L1847 PolarHBondContact O-N 3.23Å; C1843-L1881 HydrophobicContact CB-CD2 4.01Å |
| 1844 | C | 89.5 | Confident | 82.3 | Confident | 19 Ų | 19 | 46 Ų | 46 | 13% | 0.128 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61 | -48.9 | 173 | -79.5 | 0 | 0 | 0 | 0 | 111.6 | L1840 D1841 T1842 F1846 L1847 S1848 | L1840-C1844 PolarHBondContact O-N 2.68Å; L1840-C1844 PolarHBondContact O-SG 3.41Å; L1840-C1844 VanDerWaalsContact O-SG 3.4Å; D1841-C1844 PolarHBondContact O-N 3.36Å; T1842-C1844 PolarHBondContact O-N 2.69Å; C1844-F1846 VanDerWaalsContact C-N 3.33Å; C1844-F1846 PolarHBondContact O-N 3.02Å; C1844-L1847 PolarHBondContact O-N 3.41Å; C1844-S1848 PolarHBondContact O-N 3.37Å; C1844-S1848 PolarHBondContact O-OG 2.9Å; C1844-S1848 VanDerWaalsContact O-OG 3.07Å |
| 1845 | K | 89.3 | Confident | 83.5 | Confident | 110 Ų | 110 | 38.9 Ų | 38.9 | 48% | 0.478 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.9 | -40.8 | 177.8 | -69.8 | 164.2 | -173.6 | 163.5 | 0 | 112.2 | L1804 D1841 T1842 R1849 | L1804-K1845 HydrophobicContact CD1-CB 3.85Å; L1804-K1845 HydrophobicContact CD2-CB 4.27Å; D1841-K1845 VanDerWaalsContact CG-NZ 3.27Å; D1841-K1845 WeakPolarHBondContact O-CG 3.34Å; D1841-K1845 PolarHBondContact O-N 2.84Å; D1841-K1845 VanDerWaalsContact OD1-CE 3.23Å; D1841-K1845 WeakPolarHBondContact OD1-CE 3.5Å; D1841-K1845 IonicContact OD1-NZ 3.91Å; D1841-K1845 PolarHBondContact OD1-NZ 3.14Å; D1841-K1845 WeakPolarHBondContact OD2-CE 3.28Å; D1841-K1845 IonicContact OD2-NZ 3.6Å; D1841-K1845 PolarHBondContact OD2-NZ 2.76Å; T1842-K1845 PolarHBondContact O-N 3.05Å; K1845-R1849 PolarHBondContact O-N 2.86Å |
| 1846 | F | 87.8 | Confident | 84.7 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.3 | -45.6 | 175.6 | -172.5 | -107.4 | 0 | 0 | 0 | 112.4 | F1800 L1804 L1817 L1821 T1842 C1843 C1844 S1848 R1849 L1850 | F1800-F1846 HydrophobicContact CD1-CD1 4.44Å; F1800-F1846 HydrophobicContact CD1-CD2 4.42Å; F1800-F1846 HydrophobicContact CD1-CE1 4.45Å; F1800-F1846 HydrophobicContact CD1-CE2 4.45Å; F1800-F1846 HydrophobicContact CD1-CG 4.42Å; F1800-F1846 HydrophobicContact CD1-CZ 4.48Å; F1800-F1846 HydrophobicContact CE1-CD1 4.47Å; F1800-F1846 HydrophobicContact CE1-CE1 4.16Å; F1800-F1846 HydrophobicContact CE1-CZ 4.29Å; L1804-F1846 HydrophobicContact CD1-CB 4.4Å; L1804-F1846 HydrophobicContact CD2-CB 4.34Å; L1804-F1846 HydrophobicContact CD2-CD2 4.39Å; L1804-F1846 HydrophobicContact CG-CD2 4.48Å; L1817-F1846 HydrophobicContact CB-CZ 4.31Å; L1817-F1846 HydrophobicContact CD1-CE2 4.46Å; L1817-F1846 HydrophobicContact CD1-CZ 3.85Å; L1821-F1846 HydrophobicContact CD1-CD1 3.86Å; L1821-F1846 HydrophobicContact CD1-CE1 3.89Å; T1842-F1846 WeakPolarHBondContact O-CB 3.22Å; T1842-F1846 PolarHBondContact O-N 3.07Å; C1843-F1846 PolarHBondContact O-N 3.49Å; C1844-F1846 VanDerWaalsContact C-N 3.33Å; C1844-F1846 PolarHBondContact O-N 3.02Å; F1846-S1848 PolarHBondContact O-N 3.12Å; F1846-R1849 WeakPolarHBondContact O-CB 3.45Å; F1846-R1849 PolarHBondContact O-N 3.34Å; F1846-L1850 HydrophobicContact CD1-CD1 3.98Å; F1846-L1850 HydrophobicContact CD1-CG 4.33Å; F1846-L1850 HydrophobicContact CE1-CD1 3.56Å; F1846-L1850 HydrophobicContact CE1-CD2 4.45Å; F1846-L1850 HydrophobicContact CE1-CG 4.04Å; F1846-L1850 HydrophobicContact CZ-CD1 4.12Å; F1846-L1850 HydrophobicContact CZ-CD2 4.19Å; F1846-L1850 HydrophobicContact CZ-CG 4.23Å; F1846-L1850 WeakPolarHBondContact O-CG 3.39Å; F1846-L1850 PolarHBondContact O-N 2.7Å |
| 1847 | L | 89.6 | Confident | 85.7 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64 | -39.9 | 176.5 | -175.9 | 55.7 | 0 | 0 | 0 | 112.1 | C1843 C1844 L1850 L1851 L1856 L1864 L1881 | C1843-L1847 WeakPolarHBondContact O-CB 3.42Å; C1843-L1847 PolarHBondContact O-N 3.23Å; C1844-L1847 PolarHBondContact O-N 3.41Å; L1847-L1850 PolarHBondContact O-N 2.71Å; L1847-L1851 HydrophobicContact CD1-CD1 4.35Å; L1847-L1851 HydrophobicContact CD1-CG 4.27Å; L1847-L1851 HydrophobicContact CG-CD1 4.1Å; L1847-L1851 HydrophobicContact CG-CG 4.49Å; L1847-L1851 WeakPolarHBondContact O-CB 3.48Å; L1847-L1851 VanDerWaalsContact O-CG 3.28Å; L1847-L1851 WeakPolarHBondContact O-CG 3.35Å; L1847-L1851 PolarHBondContact O-N 2.81Å; L1847-L1856 HydrophobicContact CD1-CD1 4.26Å; L1847-L1864 HydrophobicContact CD1-CD2 3.96Å; L1847-L1864 HydrophobicContact CD2-CD2 4.19Å; L1847-L1881 HydrophobicContact CD2-CB 3.96Å; L1847-L1881 HydrophobicContact CD2-CD2 4.01Å; L1847-L1881 HydrophobicContact CD2-CG 4.39Å |
| 1848 | S | 89.9 | Confident | 86.3 | Confident | 19 Ų | 19 | 33.5 Ų | 33.5 | 13% | 0.133 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.4 | -43.1 | 172.4 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | C1844 F1846 L1850 L1851 I1852 C1884 E1888 | C1844-S1848 PolarHBondContact O-N 3.37Å; C1844-S1848 PolarHBondContact O-OG 2.9Å; C1844-S1848 VanDerWaalsContact O-OG 3.07Å; F1846-S1848 PolarHBondContact O-N 3.12Å; S1848-L1850 PolarHBondContact O-N 3.02Å; S1848-L1851 PolarHBondContact O-N 3.26Å; S1848-I1852 WeakPolarHBondContact O-CD1 3.42Å; S1848-I1852 VanDerWaalsContact O-CG1 3.28Å; S1848-I1852 WeakPolarHBondContact O-CG1 3.41Å; S1848-I1852 PolarHBondContact O-N 3.24Å; S1848-I1852 VanDerWaalsContact O-N 3.1Å; S1848-C1884 PolarHBondContact OG-SG 3.5Å; S1848-E1888 WeakPolarHBondContact OG-CG 3.5Å |
| 1849 | R | 88.5 | Confident | 86.7 | Confident | 111 Ų | 111 | 35.5 Ų | 35.5 | 42% | 0.419 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.8 | -42.2 | 174.5 | 179.5 | 56.8 | 168.5 | 177.5 | -1.9 | 112 | L1804 K1845 F1846 S1853 | L1804-R1849 HydrophobicContact CD2-CB 4.46Å; K1845-R1849 PolarHBondContact O-N 2.86Å; F1846-R1849 WeakPolarHBondContact O-CB 3.45Å; F1846-R1849 PolarHBondContact O-N 3.34Å; R1849-S1853 PolarHBondContact NH1-OG 2.87Å; R1849-S1853 WeakPolarHBondContact O-CB 3.47Å; R1849-S1853 PolarHBondContact O-N 3.42Å |
| 1850 | L | 88.8 | Confident | 86.9 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.2 | -47.3 | 175.1 | -70.1 | -176.8 | 0 | 0 | 0 | 112 | V1814 L1818 F1846 L1847 S1848 I1852 S1853 Y1854 L1856 | V1814-L1850 HydrophobicContact CG1-CD1 4.46Å; V1814-L1850 HydrophobicContact CG1-CD2 4.04Å; V1814-L1850 HydrophobicContact CG2-CD2 3.91Å; L1818-L1850 HydrophobicContact CD2-CD1 3.94Å; L1818-L1850 HydrophobicContact CG-CD1 4.46Å; F1846-L1850 HydrophobicContact CD1-CD1 3.98Å; F1846-L1850 HydrophobicContact CD1-CG 4.33Å; F1846-L1850 HydrophobicContact CE1-CD1 3.56Å; F1846-L1850 HydrophobicContact CE1-CD2 4.45Å; F1846-L1850 HydrophobicContact CE1-CG 4.04Å; F1846-L1850 HydrophobicContact CZ-CD1 4.12Å; F1846-L1850 HydrophobicContact CZ-CD2 4.19Å; F1846-L1850 HydrophobicContact CZ-CG 4.23Å; F1846-L1850 WeakPolarHBondContact O-CG 3.39Å; F1846-L1850 PolarHBondContact O-N 2.7Å; L1847-L1850 PolarHBondContact O-N 2.71Å; S1848-L1850 PolarHBondContact O-N 3.02Å; L1850-I1852 VanDerWaalsContact C-N 3.26Å; L1850-I1852 PolarHBondContact O-N 3.27Å; L1850-S1853 PolarHBondContact O-N 2.97Å; L1850-Y1854 HydrophobicContact CD2-CD2 3.77Å; L1850-Y1854 HydrophobicContact CD2-CE2 4.4Å; L1850-Y1854 HydrophobicContact CD2-CG 4.47Å; L1850-Y1854 PolarHBondContact O-N 3.32Å; L1850-L1856 HydrophobicContact CB-CD1 4.12Å; L1850-L1856 HydrophobicContact CB-CD2 4.38Å; L1850-L1856 HydrophobicContact CD1-CD2 4.47Å |
| 1851 | L | 88.5 | Confident | 87 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.4 | -31.8 | -178.6 | -76.7 | 169.7 | 0 | 0 | 0 | 113.6 | L1847 S1848 L1856 C1885 L1899 N1900 N1903 I1907 | L1847-L1851 HydrophobicContact CD1-CD1 4.35Å; L1847-L1851 HydrophobicContact CD1-CG 4.27Å; L1847-L1851 HydrophobicContact CG-CD1 4.1Å; L1847-L1851 HydrophobicContact CG-CG 4.49Å; L1847-L1851 WeakPolarHBondContact O-CB 3.48Å; L1847-L1851 VanDerWaalsContact O-CG 3.28Å; L1847-L1851 WeakPolarHBondContact O-CG 3.35Å; L1847-L1851 PolarHBondContact O-N 2.81Å; S1848-L1851 PolarHBondContact O-N 3.26Å; L1851-L1856 HydrophobicContact CD2-CD1 3.91Å; L1851-L1856 HydrophobicContact CG-CD1 4.27Å; L1851-C1885 HydrophobicContact CD1-CB 4.3Å; L1851-L1899 HydrophobicContact CB-CD2 4.16Å; L1851-N1900 PolarHBondContact O-N 3.34Å; L1851-N1903 WeakPolarHBondContact CA-ND2 2.99Å; L1851-N1903 HydrophobicContact CD2-CB 4.16Å; L1851-N1903 PolarHBondContact O-ND2 3.38Å; L1851-I1907 HydrophobicContact CD2-CD1 4.11Å |
| 1852 | I | 86.8 | Confident | 87 | Confident | 62 Ų | 62 | 33.4 Ų | 33.4 | 32% | 0.318 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -79.5 | -47.7 | 177 | -67.9 | 165.9 | 0 | 0 | 0 | 111.1 | S1848 L1850 L1899 N1900 | S1848-I1852 WeakPolarHBondContact O-CD1 3.42Å; S1848-I1852 VanDerWaalsContact O-CG1 3.28Å; S1848-I1852 WeakPolarHBondContact O-CG1 3.41Å; S1848-I1852 PolarHBondContact O-N 3.24Å; S1848-I1852 VanDerWaalsContact O-N 3.1Å; L1850-I1852 VanDerWaalsContact C-N 3.26Å; L1850-I1852 PolarHBondContact O-N 3.27Å; I1852-L1899 HydrophobicContact CG1-CD2 4Å; I1852-N1900 PolarHBondContact O-N 2.97Å |
| 1853 | S | 82.5 | Confident | 86.9 | Confident | 46 Ų | 46 | 34.8 Ų | 34.8 | 32% | 0.322 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -97.2 | -23.5 | -167 | -63 | 0 | 0 | 0 | 0 | 115.7 | R1849 L1850 | R1849-S1853 PolarHBondContact NH1-OG 2.87Å; R1849-S1853 WeakPolarHBondContact O-CB 3.47Å; R1849-S1853 PolarHBondContact O-N 3.42Å; L1850-S1853 PolarHBondContact O-N 2.97Å |
| 1854 | Y | 87.3 | Confident | 86.9 | Confident | 39 Ų | 39 | 34.8 Ų | 34.8 | 15% | 0.153 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -129.6 | 149.8 | -170.9 | -60.5 | -79.4 | 0 | 0 | 0 | 111.9 | D1809 I1810 V1814 L1850 N1903 | D1809-Y1854 VanDerWaalsContact OD1-CE1 3.27Å; D1809-Y1854 WeakPolarHBondContact OD1-CE1 3.13Å; D1809-Y1854 PolarHBondContact OD1-OH 3.37Å; I1810-Y1854 PolarHBondContact N-OH 3Å; V1814-Y1854 HydrophobicContact CG2-CD1 4.49Å; V1814-Y1854 HydrophobicContact CG2-CG 4.38Å; L1850-Y1854 HydrophobicContact CD2-CD2 3.77Å; L1850-Y1854 HydrophobicContact CD2-CE2 4.4Å; L1850-Y1854 HydrophobicContact CD2-CG 4.47Å; L1850-Y1854 PolarHBondContact O-N 3.32Å; Y1854-N1903 PolarHBondContact O-ND2 3.4Å |
| 1855 | S | 84.2 | Confident | 86.8 | Confident | 72 Ų | 72 | 33.9 Ų | 33.9 | 50% | 0.503 | 18% | 0.177 | S | C | . | . | trans | -81.2 | 120.4 | 173.7 | 54.6 | 0 | 0 | 0 | 0 | 110.4 | N1900 | S1855-N1900 PolarHBondContact N-ND2 3.38Š| ||
| 1856 | L | 87.2 | Confident | 86.6 | Confident | 8 Ų | 8 | 28.7 Ų | 28.7 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | trans | -104.6 | 139.1 | 178 | -60.4 | 179.4 | 0 | 0 | 0 | 111 | V1814 L1818 L1847 L1850 L1851 V1861 N1903 T1906 | V1814-L1856 HydrophobicContact CG1-CD2 4.3Å; L1818-L1856 HydrophobicContact CD1-CD2 4.17Å; L1847-L1856 HydrophobicContact CD1-CD1 4.26Å; L1850-L1856 HydrophobicContact CB-CD1 4.12Å; L1850-L1856 HydrophobicContact CB-CD2 4.38Å; L1850-L1856 HydrophobicContact CD1-CD2 4.47Å; L1851-L1856 HydrophobicContact CD2-CD1 3.91Å; L1851-L1856 HydrophobicContact CG-CD1 4.27Å; L1856-V1861 HydrophobicContact CB-CG2 3.92Å; L1856-V1861 HydrophobicContact CD1-CG2 4.03Å; L1856-N1903 PolarHBondContact N-OD1 2.69Å; L1856-T1906 PolarHBondContact O-OG1 3.15Å; L1856-T1906 VanDerWaalsContact O-OG1 3.08Å | ||
| 1857 | S | 86.5 | Confident | 86.4 | Confident | 49 Ų | 49 | 29.3 Ų | 29.3 | 34% | 0.343 | 16% | 0.159 | S | C | . | . | trans | -73.3 | 159.1 | 171 | 70.1 | 0 | 0 | 0 | 0 | 111.7 | E1859 E1860 V1861 | S1857-E1859 PolarHBondContact O-N 3.17Å; S1857-E1860 VanDerWaalsContact CB-OE2 3.26Å; S1857-E1860 WeakPolarHBondContact CB-OE2 3.28Å; S1857-E1860 PolarHBondContact N-OE2 3.15Å; S1857-E1860 WeakPolarHBondContact OG-CB 2.97Å; S1857-E1860 WeakPolarHBondContact OG-CG 3.35Å; S1857-E1860 PolarHBondContact OG-N 2.95Å; S1857-E1860 PolarHBondContact OG-OE2 3.48Å; S1857-V1861 WeakPolarHBondContact O-CG2 3.22Å; S1857-V1861 PolarHBondContact O-N 2.76Å | ||
| 1858 | V | 84.4 | Confident | 86.3 | Confident | 14 Ų | 14 | 29.1 Ų | 29.1 | 9% | 0.085 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.2 | -36.9 | 173.9 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | V1861 V1862 T1906 K1909 V1919 | V1858-V1861 PolarHBondContact O-N 2.72Å; V1858-V1862 HydrophobicContact CG1-CG2 3.93Å; V1858-V1862 WeakPolarHBondContact O-CB 3.28Å; V1858-V1862 VanDerWaalsContact O-CG2 3.25Å; V1858-V1862 WeakPolarHBondContact O-CG2 3.39Å; V1858-V1862 PolarHBondContact O-N 3.1Å; V1858-T1906 HydrophobicContact CG2-CG2 4.04Å; V1858-K1909 HydrophobicContact CG1-CB 4.48Å; V1858-K1909 HydrophobicContact CG2-CB 3.92Å; V1858-K1909 HydrophobicContact CG2-CD 3.78Å; V1858-K1909 HydrophobicContact CG2-CG 4.49Å; V1858-V1919 HydrophobicContact CG1-CG1 4.37Å |
| 1859 | E | 83.8 | Confident | 86 | Confident | 84 Ų | 84 | 28.8 Ų | 28.8 | 39% | 0.393 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -68.5 | -41.2 | -175.9 | -48.1 | -156.5 | 147.5 | 0 | 0 | 112.1 | S1857 S1863 C1921 D1922 L1923 | S1857-E1859 PolarHBondContact O-N 3.17Å; E1859-S1863 WeakPolarHBondContact O-CB 2.96Å; E1859-S1863 PolarHBondContact O-N 3.46Å; E1859-S1863 PolarHBondContact O-OG 3.23Å; E1859-C1921 HydrophobicContact CG-CB 4.02Å; E1859-D1922 PolarHBondContact OE1-N 3.24Å; E1859-L1923 HydrophobicContact CB-CD1 3.74Å; E1859-L1923 HydrophobicContact CG-CD1 3.46Å; E1859-L1923 VanDerWaalsContact CG-CD1 3.46Å; E1859-L1923 WeakPolarHBondContact OE1-CD1 3.5Å |
| 1860 | E | 85.4 | Confident | 85.7 | Confident | 48 Ų | 48 | 29.4 Ų | 29.4 | 22% | 0.224 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.3 | -45 | 172.9 | -74.6 | 162.8 | 135.8 | 0 | 0 | 111.7 | L1818 S1857 S1863 L1864 | L1818-E1860 HydrophobicContact CD1-CB 4.07Å; L1818-E1860 HydrophobicContact CD1-CG 3.93Å; L1818-E1860 WeakPolarHBondContact CD1-OE1 3.35Å; S1857-E1860 VanDerWaalsContact CB-OE2 3.26Å; S1857-E1860 WeakPolarHBondContact CB-OE2 3.28Å; S1857-E1860 PolarHBondContact N-OE2 3.15Å; S1857-E1860 WeakPolarHBondContact OG-CB 2.97Å; S1857-E1860 WeakPolarHBondContact OG-CG 3.35Å; S1857-E1860 PolarHBondContact OG-N 2.95Å; S1857-E1860 PolarHBondContact OG-OE2 3.48Å; E1860-S1863 PolarHBondContact O-OG 3.34Å; E1860-L1864 VanDerWaalsContact O-CB 3.25Å; E1860-L1864 WeakPolarHBondContact O-CB 3.26Å; E1860-L1864 PolarHBondContact O-N 2.85Å |
| 1861 | V | 86.7 | Confident | 85.3 | Confident | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -71.6 | -42.8 | -178.9 | 179.8 | 0 | 0 | 0 | 0 | 111.7 | L1856 S1857 V1858 C1865 T1906 L1910 | L1856-V1861 HydrophobicContact CB-CG2 3.92Å; L1856-V1861 HydrophobicContact CD1-CG2 4.03Å; S1857-V1861 WeakPolarHBondContact O-CG2 3.22Å; S1857-V1861 PolarHBondContact O-N 2.76Å; V1858-V1861 PolarHBondContact O-N 2.72Å; V1861-C1865 WeakPolarHBondContact O-CB 3.32Å; V1861-C1865 PolarHBondContact O-N 3.18Å; V1861-C1865 PolarHBondContact O-SG 2.88Å; V1861-T1906 HydrophobicContact CB-CG2 4.37Å; V1861-T1906 HydrophobicContact CG2-CG2 3.95Å; V1861-L1910 HydrophobicContact CG1-CD1 4.49Å; V1861-L1910 HydrophobicContact CG1-CD2 3.92Å |
| 1862 | V | 86.1 | Confident | 85 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.9 | -42.7 | 177.7 | 172.6 | 0 | 0 | 0 | 0 | 111 | V1858 T1866 L1910 Y1913 L1923 Y1928 T1930 | V1858-V1862 HydrophobicContact CG1-CG2 3.93Å; V1858-V1862 WeakPolarHBondContact O-CB 3.28Å; V1858-V1862 VanDerWaalsContact O-CG2 3.25Å; V1858-V1862 WeakPolarHBondContact O-CG2 3.39Å; V1858-V1862 PolarHBondContact O-N 3.1Å; V1862-T1866 VanDerWaalsContact O-CB 3.28Å; V1862-T1866 WeakPolarHBondContact O-CB 3.26Å; V1862-T1866 PolarHBondContact O-N 3.37Å; V1862-T1866 PolarHBondContact O-OG1 3.18Å; V1862-L1910 HydrophobicContact CG2-CD1 3.68Å; V1862-Y1913 HydrophobicContact CG1-CD1 4.4Å; V1862-Y1913 HydrophobicContact CG1-CE1 3.91Å; V1862-Y1913 HydrophobicContact CG2-CD1 4.39Å; V1862-L1923 HydrophobicContact CB-CD2 4.11Å; V1862-L1923 HydrophobicContact CG1-CD2 3.64Å; V1862-Y1928 HydrophobicContact CG1-CG 4.49Å; V1862-T1930 HydrophobicContact CG1-CG2 4.18Å |
| 1863 | S | 83.7 | Confident | 84.4 | Confident | 30 Ų | 30 | 32.8 Ų | 32.8 | 21% | 0.21 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.9 | -47.1 | 176.6 | 61.4 | 0 | 0 | 0 | 0 | 111.5 | N1822 E1859 E1860 T1866 S1867 | N1822-S1863 PolarHBondContact ND2-OG 2.92Å; N1822-S1863 VanDerWaalsContact ND2-OG 3.14Å; N1822-S1863 VanDerWaalsContact OD1-C 3.29Å; N1822-S1863 PolarHBondContact OD1-O 3.18Å; E1859-S1863 WeakPolarHBondContact O-CB 2.96Å; E1859-S1863 PolarHBondContact O-N 3.46Å; E1859-S1863 PolarHBondContact O-OG 3.23Å; E1860-S1863 PolarHBondContact O-OG 3.34Å; S1863-T1866 PolarHBondContact O-N 3.04Å; S1863-S1867 WeakPolarHBondContact O-CB 3.41Å; S1863-S1867 PolarHBondContact O-N 3.04Å; S1863-S1867 PolarHBondContact O-OG 3.07Å |
| 1864 | L | 87.5 | Confident | 84.3 | Confident | 6 Ų | 6 | 36.2 Ų | 36.2 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63 | -46.1 | 178.5 | -171.9 | 68.7 | 0 | 0 | 0 | 112.4 | L1818 L1821 N1822 F1825 L1847 E1860 S1867 C1868 L1881 | L1818-L1864 HydrophobicContact CD2-CD2 4.18Å; L1821-L1864 HydrophobicContact CB-CD1 3.91Å; N1822-L1864 WeakPolarHBondContact OD1-CA 3.27Å; N1822-L1864 PolarHBondContact OD1-N 2.58Å; F1825-L1864 HydrophobicContact CD2-CD1 4.04Å; F1825-L1864 HydrophobicContact CE2-CD1 3.82Å; L1847-L1864 HydrophobicContact CD1-CD2 3.96Å; L1847-L1864 HydrophobicContact CD2-CD2 4.19Å; E1860-L1864 VanDerWaalsContact O-CB 3.25Å; E1860-L1864 WeakPolarHBondContact O-CB 3.26Å; E1860-L1864 PolarHBondContact O-N 2.85Å; L1864-S1867 PolarHBondContact O-N 3.44Å; L1864-C1868 PolarHBondContact O-N 3.21Å; L1864-L1881 HydrophobicContact CD1-CD1 4.39Å; L1864-L1881 HydrophobicContact CD2-CD1 4.3Å; L1864-L1881 HydrophobicContact CG-CD1 3.93Å |
| 1865 | C | 87.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66 | -38.6 | 178.1 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | V1861 C1868 S1869 T1930 | V1861-C1865 WeakPolarHBondContact O-CB 3.32Å; V1861-C1865 PolarHBondContact O-N 3.18Å; V1861-C1865 PolarHBondContact O-SG 2.88Å; C1865-C1868 PolarHBondContact O-N 3.11Å; C1865-S1869 VanDerWaalsContact O-CB 3.26Å; C1865-S1869 WeakPolarHBondContact O-CB 3.23Å; C1865-S1869 PolarHBondContact O-N 3.35Å; C1865-T1930 HydrophobicContact CB-CG2 3.88Å |
| 1866 | T | 85.7 | Confident | 83.1 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.2 | -41.3 | 174.7 | -56 | 0 | 0 | 0 | 0 | 111.6 | V1862 S1863 C1868 S1869 R1870 Y1928 | V1862-T1866 VanDerWaalsContact O-CB 3.28Å; V1862-T1866 WeakPolarHBondContact O-CB 3.26Å; V1862-T1866 PolarHBondContact O-N 3.37Å; V1862-T1866 PolarHBondContact O-OG1 3.18Å; S1863-T1866 PolarHBondContact O-N 3.04Å; T1866-C1868 VanDerWaalsContact C-N 3.32Å; T1866-C1868 PolarHBondContact O-N 2.99Å; T1866-S1869 WeakPolarHBondContact O-CB 3.45Å; T1866-S1869 PolarHBondContact O-N 3.37Å; T1866-R1870 HydrophobicContact CG2-CG 4.33Å; T1866-R1870 WeakPolarHBondContact O-CG 3.3Å; T1866-R1870 PolarHBondContact O-N 3.41Å; T1866-Y1928 HydrophobicContact CG2-CD1 3.8Å; T1866-Y1928 HydrophobicContact CG2-CG 4.47Å; T1866-Y1928 WeakPolarHBondContact OG1-CB 3.46Å |
| 1867 | S | 84.7 | Confident | 82.8 | Confident | 16 Ų | 16 | 44.7 Ų | 44.7 | 11% | 0.112 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.3 | -42.2 | 177.5 | -64.3 | 0 | 0 | 0 | 0 | 111.1 | N1822 S1863 L1864 R1870 A1871 | N1822-S1867 WeakPolarHBondContact OD1-CB 3.17Å; N1822-S1867 PolarHBondContact OD1-OG 2.75Å; S1863-S1867 WeakPolarHBondContact O-CB 3.41Å; S1863-S1867 PolarHBondContact O-N 3.04Å; S1863-S1867 PolarHBondContact O-OG 3.07Å; L1864-S1867 PolarHBondContact O-N 3.44Å; S1867-R1870 PolarHBondContact O-N 3.33Å; S1867-A1871 VanDerWaalsContact O-CB 3.22Å; S1867-A1871 WeakPolarHBondContact O-CB 3.35Å; S1867-A1871 PolarHBondContact O-N 3.39Å |
| 1868 | C | 86.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.5 | -43.1 | 171.5 | -178.7 | 0 | 0 | 0 | 0 | 113.1 | L1864 C1865 T1866 R1870 A1871 F1872 K1878 L1881 | L1864-C1868 PolarHBondContact O-N 3.21Å; C1865-C1868 PolarHBondContact O-N 3.11Å; T1866-C1868 VanDerWaalsContact C-N 3.32Å; T1866-C1868 PolarHBondContact O-N 2.99Å; C1868-R1870 VanDerWaalsContact C-N 3.26Å; C1868-R1870 PolarHBondContact O-N 3.17Å; C1868-A1871 PolarHBondContact O-N 2.86Å; C1868-F1872 WeakPolarHBondContact O-CD2 3.39Å; C1868-F1872 PolarHBondContact O-N 3.19Å; C1868-K1878 CarbonylContact C-O 3.48Å; C1868-K1878 PolarHBondContact SG-O 3.35Å; C1868-L1881 HydrophobicContact CB-CB 4.42Å; C1868-L1881 HydrophobicContact CB-CD1 3.72Å; C1868-L1881 HydrophobicContact CB-CG 4.11Å |
| 1869 | S | 82.7 | Confident | 82.9 | Confident | 13 Ų | 13 | 46.1 Ų | 46.1 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.2 | -36.6 | 176.1 | 177.3 | 0 | 0 | 0 | 0 | 112.5 | C1865 T1866 K1878 Y1879 P1929 | C1865-S1869 VanDerWaalsContact O-CB 3.26Å; C1865-S1869 WeakPolarHBondContact O-CB 3.23Å; C1865-S1869 PolarHBondContact O-N 3.35Å; T1866-S1869 WeakPolarHBondContact O-CB 3.45Å; T1866-S1869 PolarHBondContact O-N 3.37Å; S1869-K1878 PolarHBondContact N-O 3.42Å; S1869-Y1879 WeakPolarHBondContact OG-CE1 3.43Å; S1869-P1929 WeakPolarHBondContact CB-O 3.11Å; S1869-P1929 PolarHBondContact OG-O 2.97Å |
| 1870 | R | 83.6 | Confident | 83.1 | Confident | 124 Ų | 124 | 43.8 Ų | 43.8 | 47% | 0.468 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -78.8 | -39.4 | 175.3 | -68.1 | 173.3 | 177.6 | -173.7 | 0.1 | 112.8 | N1829 T1866 S1867 C1868 F1872 L1927 | N1829-R1870 PolarHBondContact OD1-O 3.46Å; N1829-R1870 VanDerWaalsContact OD1-O 3.06Å; T1866-R1870 HydrophobicContact CG2-CG 4.33Å; T1866-R1870 WeakPolarHBondContact O-CG 3.3Å; T1866-R1870 PolarHBondContact O-N 3.41Å; S1867-R1870 PolarHBondContact O-N 3.33Å; C1868-R1870 VanDerWaalsContact C-N 3.26Å; C1868-R1870 PolarHBondContact O-N 3.17Å; R1870-F1872 PolarHBondContact O-N 3.26Å; R1870-L1927 PolarHBondContact NH2-O 3.19Å |
| 1871 | A | 80.4 | Confident | 83.3 | Confident | 9 Ų | 9 | 41.5 Ų | 41.5 | 7% | 0.074 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.6 | -38.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F1825 S1828 N1829 S1867 C1868 | F1825-A1871 HydrophobicContact CB-CB 4.25Å; F1825-A1871 HydrophobicContact CD1-CB 3.88Å; F1825-A1871 HydrophobicContact CG-CB 4.48Å; S1828-A1871 WeakPolarHBondContact OG-CB 3.41Å; N1829-A1871 VanDerWaalsContact OD1-CA 3.25Å; N1829-A1871 WeakPolarHBondContact OD1-CA 3.16Å; N1829-A1871 PolarHBondContact OD1-N 2.95Å; N1829-A1871 VanDerWaalsContact OD1-N 3.14Å; S1867-A1871 VanDerWaalsContact O-CB 3.22Å; S1867-A1871 WeakPolarHBondContact O-CB 3.35Å; S1867-A1871 PolarHBondContact O-N 3.39Å; C1868-A1871 PolarHBondContact O-N 2.86Å |
| 1872 | F | 82.1 | Confident | 83.5 | Confident | 20 Ų | 20 | 41.4 Ų | 41.4 | 9% | 0.088 | 20% | 0.203 | C | C | . | . | trans | -108.1 | 138.9 | -173.7 | -63.4 | -87 | 0 | 0 | 0 | 111.9 | F1825 T1835 L1840 C1868 R1870 D1877 K1878 | F1825-F1872 HydrophobicContact CD1-CE2 4.29Å; F1825-F1872 AromaticContact CE1-CE2 3.95Å; F1825-F1872 HydrophobicContact CE1-CE2 3.95Å; T1835-F1872 HydrophobicContact CG2-CE1 4.48Å; T1835-F1872 HydrophobicContact CG2-CZ 4.26Å; T1835-F1872 WeakPolarHBondContact OG1-CE1 3.48Å; L1840-F1872 HydrophobicContact CB-CZ 4.28Å; L1840-F1872 HydrophobicContact CD1-CE2 3.93Å; L1840-F1872 HydrophobicContact CD1-CZ 4.18Å; L1840-F1872 HydrophobicContact CD2-CE1 4.32Å; L1840-F1872 HydrophobicContact CD2-CE2 4.18Å; L1840-F1872 HydrophobicContact CD2-CZ 3.98Å; L1840-F1872 HydrophobicContact CG-CZ 4.39Å; C1868-F1872 WeakPolarHBondContact O-CD2 3.39Å; C1868-F1872 PolarHBondContact O-N 3.19Å; R1870-F1872 PolarHBondContact O-N 3.26Å; F1872-D1877 HydrophobicContact CB-CB 3.92Å; F1872-D1877 HydrophobicContact CD1-CB 3.89Å; F1872-D1877 HydrophobicContact CG-CB 3.98Å; F1872-K1878 HydrophobicContact CB-CG 4.35Å; F1872-K1878 VanDerWaalsContact O-CE 3.24Å; F1872-K1878 WeakPolarHBondContact O-CE 3.47Å; F1872-K1878 WeakPolarHBondContact O-CG 3.42Å | ||
| 1873 | S | 74.5 | Confident | 83.8 | Confident | 105 Ų | 105 | 45.7 Ų | 45.7 | 73% | 0.734 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -87.6 | -25 | 177.7 | 57 | 0 | 0 | 0 | 0 | 113.9 | K1878 | S1873-K1878 WeakPolarHBondContact O-CE 3.08Å; S1873-K1878 PolarHBondContact O-NZ 3.3Å |
| 1874 | K | 79.5 | Confident | 84.2 | Confident | 118 Ų | 118 | 45 Ų | 45 | 51% | 0.513 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -86.8 | 130.4 | -178.6 | -66.2 | 178.8 | 179.2 | 177.2 | 0 | 111.1 | R1876 D1877 K1878 | K1874-R1876 HydrophobicContact CB-CG 4.11Å; K1874-R1876 PolarHBondContact O-N 3.39Å; K1874-R1876 VanDerWaalsContact O-N 3.15Å; K1874-D1877 HydrophobicContact CB-CB 4.33Å; K1874-D1877 WeakPolarHBondContact CB-OD2 3.38Å; K1874-D1877 WeakPolarHBondContact CD-OD2 3.29Å; K1874-D1877 WeakPolarHBondContact O-CA 3.14Å; K1874-D1877 PolarHBondContact O-N 3.11Å; K1874-K1878 PolarHBondContact O-N 2.89Å |
| 1875 | D | 70.3 | Confident | 84.5 | Confident | 101 Ų | 101 | 44.7 Ų | 44.7 | 54% | 0.54 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.7 | -24.4 | -174.1 | -51.1 | -40.1 | 0 | 0 | 0 | 114.3 | D1877 K1878 R1883 | D1875-D1877 VanDerWaalsContact C-N 3.3Å; D1875-K1878 IonicContact OD1-NZ 3.85Å; D1875-K1878 PolarHBondContact OD1-NZ 3.05Å; D1875-R1883 PolarHBondContact O-NH2 2.76Å |
| 1876 | R | 75 | Confident | 84.7 | Confident | 162 Ų | 162 | 44.8 Ų | 44.8 | 61% | 0.611 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -67.4 | -29.2 | 170.1 | 60.1 | 159.8 | -152.2 | -173.5 | 11.3 | 113.2 | K1874 T1880 R1883 | K1874-R1876 HydrophobicContact CB-CG 4.11Å; K1874-R1876 PolarHBondContact O-N 3.39Å; K1874-R1876 VanDerWaalsContact O-N 3.15Å; R1876-T1880 PolarHBondContact O-OG1 2.85Å; R1876-T1880 VanDerWaalsContact O-OG1 3.06Å; R1876-R1883 PolarHBondContact O-NH2 3.28Å |
| 1877 | D | 82.5 | Confident | 84.9 | Confident | 35 Ų | 35 | 46.4 Ų | 46.4 | 19% | 0.187 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -100 | -37.8 | -172.5 | -57.3 | -37.1 | 0 | 0 | 0 | 110.4 | F1872 K1874 D1875 Y1879 T1880 | F1872-D1877 HydrophobicContact CB-CB 3.92Å; F1872-D1877 HydrophobicContact CD1-CB 3.89Å; F1872-D1877 HydrophobicContact CG-CB 3.98Å; K1874-D1877 HydrophobicContact CB-CB 4.33Å; K1874-D1877 WeakPolarHBondContact CB-OD2 3.38Å; K1874-D1877 WeakPolarHBondContact CD-OD2 3.29Å; K1874-D1877 WeakPolarHBondContact O-CA 3.14Å; K1874-D1877 PolarHBondContact O-N 3.11Å; D1875-D1877 VanDerWaalsContact C-N 3.3Å; D1877-Y1879 PolarHBondContact O-N 3.07Å; D1877-T1880 WeakPolarHBondContact CA-OG1 3.36Å; D1877-T1880 WeakPolarHBondContact O-CB 3.45Å; D1877-T1880 PolarHBondContact O-N 3.01Å; D1877-T1880 PolarHBondContact O-OG1 2.96Å |
| 1878 | K | 85 | Confident | 85.4 | Confident | 46 Ų | 46 | 47.4 Ų | 47.4 | 20% | 0.2 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -43.4 | -56.4 | 175.9 | -82.1 | -179.8 | -172.7 | 154.6 | 0 | 114.7 | C1868 S1869 F1872 S1873 K1874 D1875 | C1868-K1878 CarbonylContact C-O 3.48Å; C1868-K1878 PolarHBondContact SG-O 3.35Å; S1869-K1878 PolarHBondContact N-O 3.42Å; F1872-K1878 HydrophobicContact CB-CG 4.35Å; F1872-K1878 VanDerWaalsContact O-CE 3.24Å; F1872-K1878 WeakPolarHBondContact O-CE 3.47Å; F1872-K1878 WeakPolarHBondContact O-CG 3.42Å; S1873-K1878 WeakPolarHBondContact O-CE 3.08Å; S1873-K1878 PolarHBondContact O-NZ 3.3Å; K1874-K1878 PolarHBondContact O-N 2.89Å; D1875-K1878 IonicContact OD1-NZ 3.85Å; D1875-K1878 PolarHBondContact OD1-NZ 3.05Å |
| 1879 | Y | 87.1 | Confident | 85.7 | Confident | 46 Ų | 46 | 47.4 Ų | 47.4 | 18% | 0.18 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 24.4 | -168 | -46.7 | -59.3 | 0 | 0 | 0 | 111.6 | S1869 D1877 T1882 R1883 T1930 A1931 | S1869-Y1879 WeakPolarHBondContact OG-CE1 3.43Å; D1877-Y1879 PolarHBondContact O-N 3.07Å; Y1879-T1882 PolarHBondContact O-N 2.99Å; Y1879-R1883 WeakPolarHBondContact O-CB 3.21Å; Y1879-R1883 WeakPolarHBondContact O-CG 3.48Å; Y1879-R1883 PolarHBondContact O-N 2.64Å; Y1879-T1930 WeakPolarHBondContact CD1-O 3.37Å; Y1879-A1931 HydrophobicContact CD1-CB 3.46Å; Y1879-A1931 VanDerWaalsContact CD1-CB 3.46Å; Y1879-A1931 HydrophobicContact CD2-CB 4.12Å; Y1879-A1931 HydrophobicContact CE1-CB 3.37Å; Y1879-A1931 HydrophobicContact CE2-CB 4.05Å; Y1879-A1931 HydrophobicContact CG-CB 3.83Å |
| 1880 | T | 88.1 | Confident | 86.2 | Confident | 35 Ų | 35 | 46.9 Ų | 46.9 | 22% | 0.215 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.5 | -42.5 | -176.4 | -53.6 | 0 | 0 | 0 | 0 | 111.8 | L1840 R1876 D1877 R1883 C1884 | L1840-T1880 HydrophobicContact CD2-CG2 4.01Å; L1840-T1880 HydrophobicContact CG-CG2 4.07Å; R1876-T1880 PolarHBondContact O-OG1 2.85Å; R1876-T1880 VanDerWaalsContact O-OG1 3.06Å; D1877-T1880 WeakPolarHBondContact CA-OG1 3.36Å; D1877-T1880 WeakPolarHBondContact O-CB 3.45Å; D1877-T1880 PolarHBondContact O-N 3.01Å; D1877-T1880 PolarHBondContact O-OG1 2.96Å; T1880-R1883 PolarHBondContact O-N 3.17Å; T1880-C1884 WeakPolarHBondContact O-CB 3.48Å; T1880-C1884 PolarHBondContact O-N 3.17Å |
| 1881 | L | 89.8 | Confident | 86.5 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.2 | -41.4 | 173.5 | -62 | -177.6 | 0 | 0 | 0 | 111.5 | F1825 L1840 C1843 L1847 L1864 C1868 R1883 C1884 C1885 | F1825-L1881 HydrophobicContact CE2-CD1 3.8Å; F1825-L1881 HydrophobicContact CZ-CD1 3.83Å; L1840-L1881 HydrophobicContact CD1-CD2 4.3Å; L1840-L1881 HydrophobicContact CD1-CG 4.3Å; C1843-L1881 HydrophobicContact CB-CD2 4.01Å; L1847-L1881 HydrophobicContact CD2-CB 3.96Å; L1847-L1881 HydrophobicContact CD2-CD2 4.01Å; L1847-L1881 HydrophobicContact CD2-CG 4.39Å; L1864-L1881 HydrophobicContact CD1-CD1 4.39Å; L1864-L1881 HydrophobicContact CD2-CD1 4.3Å; L1864-L1881 HydrophobicContact CG-CD1 3.93Å; C1868-L1881 HydrophobicContact CB-CB 4.42Å; C1868-L1881 HydrophobicContact CB-CD1 3.72Å; C1868-L1881 HydrophobicContact CB-CG 4.11Å; L1881-R1883 VanDerWaalsContact C-N 3.34Å; L1881-R1883 PolarHBondContact O-N 2.84Å; L1881-C1884 WeakPolarHBondContact O-CA 3.35Å; L1881-C1884 VanDerWaalsContact O-CB 3.24Å; L1881-C1884 WeakPolarHBondContact O-CB 3.46Å; L1881-C1884 PolarHBondContact O-N 2.86Å; L1881-C1885 PolarHBondContact O-N 3.34Å; L1881-C1885 PolarHBondContact O-SG 3.47Å; L1881-C1885 VanDerWaalsContact O-SG 3.38Å |
| 1882 | T | 91.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.3 | -44.7 | 173.9 | -38 | 0 | 0 | 0 | 0 | 111.8 | Y1879 C1884 C1885 L1886 T1930 A1932 C1935 | Y1879-T1882 PolarHBondContact O-N 2.99Å; T1882-C1884 VanDerWaalsContact C-N 3.32Å; T1882-C1884 PolarHBondContact O-N 3.35Å; T1882-C1885 PolarHBondContact O-N 3.41Å; T1882-L1886 HydrophobicContact CG2-CD1 4.22Å; T1882-L1886 WeakPolarHBondContact O-CD1 3.49Å; T1882-L1886 VanDerWaalsContact O-CG 3.31Å; T1882-L1886 WeakPolarHBondContact O-CG 3.41Å; T1882-L1886 PolarHBondContact O-N 3.11Å; T1882-L1886 VanDerWaalsContact O-N 3.14Å; T1882-T1930 WeakPolarHBondContact CG2-O 3.25Å; T1882-T1930 PolarHBondContact OG1-O 3.32Å; T1882-A1932 VanDerWaalsContact CG2-CA 3.47Å; T1882-A1932 HydrophobicContact CG2-CB 3.78Å; T1882-C1935 HydrophobicContact CG2-CB 4.42Å |
| 1883 | R | 91.6 | Very high | 87.2 | Confident | 91 Ų | 91 | 42.6 Ų | 42.6 | 34% | 0.343 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.7 | -33.5 | 173.2 | -79.7 | -174.9 | -83.6 | -97 | 1.3 | 112.7 | D1875 R1876 Y1879 T1880 L1881 S1887 C1935 | D1875-R1883 PolarHBondContact O-NH2 2.76Å; R1876-R1883 PolarHBondContact O-NH2 3.28Å; Y1879-R1883 WeakPolarHBondContact O-CB 3.21Å; Y1879-R1883 WeakPolarHBondContact O-CG 3.48Å; Y1879-R1883 PolarHBondContact O-N 2.64Å; T1880-R1883 PolarHBondContact O-N 3.17Å; L1881-R1883 VanDerWaalsContact C-N 3.34Å; L1881-R1883 PolarHBondContact O-N 2.84Å; R1883-S1887 WeakPolarHBondContact O-CB 3.16Å; R1883-S1887 PolarHBondContact O-N 3.41Å; R1883-C1935 HydrophobicContact CG-CB 3.86Å |
| 1884 | C | 92.5 | Very high | 87.9 | Confident | 15 Ų | 15 | 41.8 Ų | 41.8 | 10% | 0.101 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.7 | -53.2 | 175.2 | -159.6 | 0 | 0 | 0 | 0 | 110.5 | S1848 T1880 L1881 T1882 L1886 S1887 E1888 | S1848-C1884 PolarHBondContact OG-SG 3.5Å; T1880-C1884 WeakPolarHBondContact O-CB 3.48Å; T1880-C1884 PolarHBondContact O-N 3.17Å; L1881-C1884 WeakPolarHBondContact O-CA 3.35Å; L1881-C1884 VanDerWaalsContact O-CB 3.24Å; L1881-C1884 WeakPolarHBondContact O-CB 3.46Å; L1881-C1884 PolarHBondContact O-N 2.86Å; T1882-C1884 VanDerWaalsContact C-N 3.32Å; T1882-C1884 PolarHBondContact O-N 3.35Å; C1884-L1886 VanDerWaalsContact C-N 3.28Å; C1884-L1886 PolarHBondContact O-N 2.65Å; C1884-S1887 WeakPolarHBondContact O-CB 3.49Å; C1884-S1887 PolarHBondContact O-N 2.64Å; C1884-E1888 WeakPolarHBondContact O-CG 3.31Å; C1884-E1888 PolarHBondContact O-N 2.74Å |
| 1885 | C | 93 | Very high | 88.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -52.2 | -47.1 | 175.2 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | L1851 L1881 T1882 F1889 I1907 | L1851-C1885 HydrophobicContact CD1-CB 4.3Å; L1881-C1885 PolarHBondContact O-N 3.34Å; L1881-C1885 PolarHBondContact O-SG 3.47Å; L1881-C1885 VanDerWaalsContact O-SG 3.38Å; T1882-C1885 PolarHBondContact O-N 3.41Å; C1885-F1889 VanDerWaalsContact O-CB 3.23Å; C1885-F1889 WeakPolarHBondContact O-CB 3.29Å; C1885-F1889 PolarHBondContact O-N 3.21Å; C1885-I1907 HydrophobicContact CB-CD1 4.34Å |
| 1886 | L | 92.7 | Very high | 89 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -74.4 | -30.3 | -177.3 | -66.7 | 166.7 | 0 | 0 | 0 | 113.4 | T1882 C1884 C1890 I1907 I1911 A1932 C1935 A1936 F1939 | T1882-L1886 HydrophobicContact CG2-CD1 4.22Å; T1882-L1886 WeakPolarHBondContact O-CD1 3.49Å; T1882-L1886 VanDerWaalsContact O-CG 3.31Å; T1882-L1886 WeakPolarHBondContact O-CG 3.41Å; T1882-L1886 PolarHBondContact O-N 3.11Å; T1882-L1886 VanDerWaalsContact O-N 3.14Å; C1884-L1886 VanDerWaalsContact C-N 3.28Å; C1884-L1886 PolarHBondContact O-N 2.65Å; L1886-C1890 VanDerWaalsContact O-CB 3.26Å; L1886-C1890 WeakPolarHBondContact O-CB 3.43Å; L1886-C1890 PolarHBondContact O-N 3.42Å; L1886-I1907 HydrophobicContact CD2-CG2 3.87Å; L1886-I1911 HydrophobicContact CD2-CD1 3.6Å; L1886-I1911 HydrophobicContact CD2-CG1 3.81Å; L1886-A1932 WeakPolarHBondContact CD1-O 3.29Å; L1886-C1935 HydrophobicContact CD1-CB 3.42Å; L1886-C1935 VanDerWaalsContact CD1-CB 3.42Å; L1886-A1936 HydrophobicContact CD1-CB 4.13Å; L1886-A1936 HydrophobicContact CD2-CB 4.19Å; L1886-F1939 HydrophobicContact CB-CE2 4.17Å |
| 1887 | S | 90.9 | Very high | 89.5 | Confident | 37 Ų | 37 | 35.9 Ų | 35.9 | 26% | 0.259 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63.7 | -53.8 | 170.3 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | R1883 C1884 F1889 C1890 Q1891 | R1883-S1887 WeakPolarHBondContact O-CB 3.16Å; R1883-S1887 PolarHBondContact O-N 3.41Å; C1884-S1887 WeakPolarHBondContact O-CB 3.49Å; C1884-S1887 PolarHBondContact O-N 2.64Å; S1887-F1889 VanDerWaalsContact C-N 3.34Å; S1887-F1889 PolarHBondContact O-N 3.38Å; S1887-C1890 PolarHBondContact O-N 3.15Å; S1887-C1890 VanDerWaalsContact O-N 3.13Å; S1887-Q1891 WeakPolarHBondContact O-CG 3.42Å; S1887-Q1891 PolarHBondContact O-N 3.29Å |
| 1888 | E | 93.4 | Very high | 89.5 | Confident | 37 Ų | 37 | 37.3 Ų | 37.3 | 17% | 0.173 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.4 | -44.8 | -179.7 | -61.4 | -42.8 | 109.4 | 0 | 0 | 111 | S1848 C1884 C1890 Q1891 A1892 H1897 L1899 | S1848-E1888 WeakPolarHBondContact OG-CG 3.5Å; C1884-E1888 WeakPolarHBondContact O-CG 3.31Å; C1884-E1888 PolarHBondContact O-N 2.74Å; E1888-C1890 PolarHBondContact O-N 3.01Å; E1888-Q1891 PolarHBondContact O-N 3.41Å; E1888-A1892 WeakPolarHBondContact O-CB 3.44Å; E1888-A1892 PolarHBondContact O-N 3Å; E1888-H1897 PolarHBondContact O-CE1 3.26Å; E1888-H1897 PolarHBondContact O-NE2 2.89Å; E1888-H1897 IonicContact OE2-CE1 2.71Å; E1888-H1897 PolarHBondContact OE2-CE1 2.9Å; E1888-H1897 IonicContact OE2-ND1 2.73Å; E1888-H1897 IonicContact OE2-NE2 3.31Å; E1888-L1899 HydrophobicContact CB-CD2 4.34Å |
| 1889 | F | 93.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54.2 | -48.7 | 171.5 | -177.7 | -113.1 | 0 | 0 | 0 | 112.6 | C1885 S1887 Q1891 A1892 L1893 L1899 Y1904 I1907 I1908 F1943 L1975 L1979 | C1885-F1889 VanDerWaalsContact O-CB 3.23Å; C1885-F1889 WeakPolarHBondContact O-CB 3.29Å; C1885-F1889 PolarHBondContact O-N 3.21Å; S1887-F1889 VanDerWaalsContact C-N 3.34Å; S1887-F1889 PolarHBondContact O-N 3.38Å; F1889-Q1891 PolarHBondContact O-N 3.24Å; F1889-A1892 PolarHBondContact O-N 3.01Å; F1889-L1893 HydrophobicContact CD1-CD1 4.11Å; F1889-L1893 HydrophobicContact CD1-CG 4.49Å; F1889-L1893 HydrophobicContact CE1-CD1 3.74Å; F1889-L1893 HydrophobicContact CE1-CG 4.32Å; F1889-L1893 HydrophobicContact CE2-CD2 4.27Å; F1889-L1893 HydrophobicContact CZ-CD1 4.07Å; F1889-L1893 HydrophobicContact CZ-CD2 4.16Å; F1889-L1893 HydrophobicContact CZ-CG 4.32Å; F1889-L1893 WeakPolarHBondContact O-CG 3.18Å; F1889-L1893 PolarHBondContact O-N 3.49Å; F1889-L1899 HydrophobicContact CB-CD1 4.47Å; F1889-L1899 HydrophobicContact CD2-CD1 4.38Å; F1889-Y1904 HydrophobicContact CD2-CD1 4.27Å; F1889-Y1904 HydrophobicContact CE2-CD1 4.14Å; F1889-I1907 HydrophobicContact CB-CD1 3.89Å; F1889-I1907 HydrophobicContact CB-CG2 4.01Å; F1889-I1907 HydrophobicContact CD1-CG2 4.04Å; F1889-I1907 HydrophobicContact CD2-CB 4.2Å; F1889-I1907 HydrophobicContact CD2-CD1 4.3Å; F1889-I1907 HydrophobicContact CD2-CG2 4.08Å; F1889-I1907 HydrophobicContact CG-CB 4.4Å; F1889-I1907 HydrophobicContact CG-CD1 4.39Å; F1889-I1907 HydrophobicContact CG-CG2 3.8Å; F1889-I1908 HydrophobicContact CE2-CG1 4.38Å; F1889-I1908 HydrophobicContact CZ-CD1 4.21Å; F1889-I1908 HydrophobicContact CZ-CG1 3.8Å; F1889-F1943 HydrophobicContact CD1-CE1 4.34Å; F1889-F1943 HydrophobicContact CE1-CE1 4.13Å; F1889-F1943 HydrophobicContact CE1-CZ 4.41Å; F1889-L1975 HydrophobicContact CE2-CD1 3.93Å; F1889-L1975 HydrophobicContact CZ-CD1 4.09Å; F1889-L1979 HydrophobicContact CE1-CD2 3.91Å; F1889-L1979 HydrophobicContact CZ-CD2 4.06Å |
| 1890 | C | 92.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.6 | -39.9 | 177.1 | -177.4 | 0 | 0 | 0 | 0 | 112.8 | L1886 S1887 E1888 A1892 L1893 K1894 F1939 D1942 | L1886-C1890 VanDerWaalsContact O-CB 3.26Å; L1886-C1890 WeakPolarHBondContact O-CB 3.43Å; L1886-C1890 PolarHBondContact O-N 3.42Å; S1887-C1890 PolarHBondContact O-N 3.15Å; S1887-C1890 VanDerWaalsContact O-N 3.13Å; E1888-C1890 PolarHBondContact O-N 3.01Å; C1890-A1892 VanDerWaalsContact C-N 3.31Å; C1890-A1892 PolarHBondContact O-N 2.95Å; C1890-L1893 PolarHBondContact O-N 3.29Å; C1890-K1894 WeakPolarHBondContact O-CB 3.42Å; C1890-K1894 WeakPolarHBondContact O-CG 3.44Å; C1890-K1894 PolarHBondContact O-N 3.08Å; C1890-F1939 HydrophobicContact CB-CD1 3.87Å; C1890-F1939 HydrophobicContact CB-CE1 4.08Å; C1890-F1939 HydrophobicContact CB-CG 4.18Å; C1890-F1939 WeakPolarHBondContact SG-CD1 3.37Å; C1890-D1942 PolarHBondContact SG-OD2 3.15Å |
| 1891 | Q | 91.3 | Very high | 89.3 | Confident | 51 Ų | 51 | 34.3 Ų | 34.3 | 24% | 0.238 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.4 | -32.8 | 175.4 | -58 | -50.6 | -29.8 | 0 | 0 | 112.1 | S1887 E1888 F1889 K1894 F1895 K1896 | S1887-Q1891 WeakPolarHBondContact O-CG 3.42Å; S1887-Q1891 PolarHBondContact O-N 3.29Å; E1888-Q1891 PolarHBondContact O-N 3.41Å; F1889-Q1891 PolarHBondContact O-N 3.24Å; Q1891-K1894 CarbonylContact O-C 3.49Å; Q1891-K1894 PolarHBondContact O-N 3.26Å; Q1891-F1895 PolarHBondContact O-N 2.77Å; Q1891-K1896 HydrophobicContact CB-CB 4.43Å; Q1891-K1896 PolarHBondContact O-N 3.18Å; Q1891-K1896 VanDerWaalsContact OE1-CD 3.31Å; Q1891-K1896 VanDerWaalsContact OE1-CE 3.3Å |
| 1892 | A | 88.8 | Confident | 89 | Confident | 3 Ų | 3 | 39 Ų | 39 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71 | -40.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1888 F1889 C1890 K1894 F1895 H1897 L1899 Y1904 | E1888-A1892 WeakPolarHBondContact O-CB 3.44Å; E1888-A1892 PolarHBondContact O-N 3Å; F1889-A1892 PolarHBondContact O-N 3.01Å; C1890-A1892 VanDerWaalsContact C-N 3.31Å; C1890-A1892 PolarHBondContact O-N 2.95Å; A1892-K1894 PolarHBondContact O-N 3.48Å; A1892-F1895 WeakPolarHBondContact O-CA 3.19Å; A1892-F1895 PolarHBondContact O-N 3.02Å; A1892-H1897 WeakPolarHBondContact CA-O 3.29Å; A1892-L1899 HydrophobicContact CB-CD1 4.17Å; A1892-L1899 HydrophobicContact CB-CG 3.82Å; A1892-Y1904 HydrophobicContact CB-CE1 3.85Å |
| 1893 | L | 88.4 | Confident | 88.9 | Confident | 10 Ų | 10 | 39 Ų | 39 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60 | -31.5 | 169.4 | -64.8 | -176.9 | 0 | 0 | 0 | 112.2 | F1889 C1890 F1895 F1943 F1946 L1975 L1979 | F1889-L1893 HydrophobicContact CD1-CD1 4.11Å; F1889-L1893 HydrophobicContact CD1-CG 4.49Å; F1889-L1893 HydrophobicContact CE1-CD1 3.74Å; F1889-L1893 HydrophobicContact CE1-CG 4.32Å; F1889-L1893 HydrophobicContact CE2-CD2 4.27Å; F1889-L1893 HydrophobicContact CZ-CD1 4.07Å; F1889-L1893 HydrophobicContact CZ-CD2 4.16Å; F1889-L1893 HydrophobicContact CZ-CG 4.32Å; F1889-L1893 WeakPolarHBondContact O-CG 3.18Å; F1889-L1893 PolarHBondContact O-N 3.49Å; C1890-L1893 PolarHBondContact O-N 3.29Å; L1893-F1895 WeakPolarHBondContact O-CD2 3.19Å; L1893-F1895 WeakPolarHBondContact O-CE2 3.33Å; L1893-F1895 PolarHBondContact O-N 3.16Å; L1893-F1943 HydrophobicContact CD1-CD1 3.64Å; L1893-F1943 HydrophobicContact CD1-CE1 3.63Å; L1893-F1946 HydrophobicContact CB-CD2 3.9Å; L1893-F1946 HydrophobicContact CB-CE2 3.97Å; L1893-F1946 HydrophobicContact CD2-CD2 4.12Å; L1893-F1946 HydrophobicContact CD2-CE1 4.19Å; L1893-F1946 HydrophobicContact CD2-CE2 3.64Å; L1893-F1946 HydrophobicContact CD2-CZ 3.67Å; L1893-F1946 HydrophobicContact CG-CD2 4.45Å; L1893-F1946 HydrophobicContact CG-CE2 4.34Å; L1893-L1975 HydrophobicContact CD2-CD1 4.45Å; L1893-L1975 HydrophobicContact CD2-CD2 3.63Å; L1893-L1975 HydrophobicContact CD2-CG 4.45Å; L1893-L1979 HydrophobicContact CD1-CD1 4.02Å; L1893-L1979 HydrophobicContact CD1-CD2 4.42Å; L1893-L1979 HydrophobicContact CD2-CD1 4.21Å |
| 1894 | K | 88.3 | Confident | 88.8 | Confident | 88 Ų | 88 | 35 Ų | 35 | 38% | 0.383 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 9.4 | 173.1 | -71.2 | 172.7 | 173.6 | 172.3 | 0 | 113.5 | C1890 Q1891 A1892 K1896 D1942 | C1890-K1894 WeakPolarHBondContact O-CB 3.42Å; C1890-K1894 WeakPolarHBondContact O-CG 3.44Å; C1890-K1894 PolarHBondContact O-N 3.08Å; Q1891-K1894 CarbonylContact O-C 3.49Å; Q1891-K1894 PolarHBondContact O-N 3.26Å; A1892-K1894 PolarHBondContact O-N 3.48Å; K1894-K1896 HydrophobicContact CB-CG 4.42Å; K1894-K1896 PolarHBondContact O-N 3.38Å; K1894-D1942 WeakPolarHBondContact CE-OD1 3.35Å; K1894-D1942 IonicContact NZ-OD1 2.85Å; K1894-D1942 PolarHBondContact NZ-OD1 2.9Å; K1894-D1942 IonicContact NZ-OD2 3.74Å; K1894-D1942 PolarHBondContact NZ-OD2 3.25Å |
| 1895 | F | 86.2 | Confident | 88.6 | Confident | 64 Ų | 64 | 36.8 Ų | 36.8 | 28% | 0.281 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 30.2 | 177.8 | -54.1 | -81.5 | 0 | 0 | 0 | 114.9 | Q1891 A1892 L1893 F1946 V1952 R1955 M1956 V1959 | Q1891-F1895 PolarHBondContact O-N 2.77Å; A1892-F1895 WeakPolarHBondContact O-CA 3.19Å; A1892-F1895 PolarHBondContact O-N 3.02Å; L1893-F1895 WeakPolarHBondContact O-CD2 3.19Å; L1893-F1895 WeakPolarHBondContact O-CE2 3.33Å; L1893-F1895 PolarHBondContact O-N 3.16Å; F1895-F1946 HydrophobicContact CZ-CE2 4.36Å; F1895-V1952 HydrophobicContact CE2-CG2 4.22Å; F1895-V1952 HydrophobicContact CZ-CG1 4.39Å; F1895-V1952 HydrophobicContact CZ-CG2 4.47Å; F1895-R1955 HydrophobicContact CD1-CB 4.04Å; F1895-R1955 HydrophobicContact CE1-CB 3.49Å; F1895-R1955 VanDerWaalsContact CE1-CB 3.49Å; F1895-R1955 HydrophobicContact CE2-CB 4.04Å; F1895-R1955 HydrophobicContact CZ-CB 3.49Å; F1895-R1955 VanDerWaalsContact CZ-CB 3.49Å; F1895-R1955 HydrophobicContact CZ-CG 4.45Å; F1895-M1956 HydrophobicContact CE1-CG 3.78Å; F1895-M1956 HydrophobicContact CZ-CG 3.95Å; F1895-V1959 HydrophobicContact CD1-CG2 4.22Å |
| 1896 | K | 87.2 | Confident | 88.4 | Confident | 146 Ų | 146 | 37.3 Ų | 37.3 | 64% | 0.635 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -85.9 | -25 | 177 | -61.4 | -166.7 | -166.4 | 160.3 | 0 | 113.9 | Q1891 K1894 | Q1891-K1896 HydrophobicContact CB-CB 4.43Å; Q1891-K1896 PolarHBondContact O-N 3.18Å; Q1891-K1896 VanDerWaalsContact OE1-CD 3.31Å; Q1891-K1896 VanDerWaalsContact OE1-CE 3.3Å; K1894-K1896 HydrophobicContact CB-CG 4.42Å; K1894-K1896 PolarHBondContact O-N 3.38Å |
| 1897 | H | 85.1 | Confident | 88.3 | Confident | 47 Ų | 47 | 37.3 Ų | 37.3 | 22% | 0.218 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -152.4 | 178.4 | 169.7 | 68.9 | -107.7 | 0 | 0 | 0 | 108.4 | E1888 A1892 L1899 | E1888-H1897 PolarHBondContact O-CE1 3.26Å; E1888-H1897 PolarHBondContact O-NE2 2.89Å; E1888-H1897 IonicContact OE2-CE1 2.71Å; E1888-H1897 PolarHBondContact OE2-CE1 2.9Å; E1888-H1897 IonicContact OE2-ND1 2.73Å; E1888-H1897 IonicContact OE2-NE2 3.31Å; A1892-H1897 WeakPolarHBondContact CA-O 3.29Å; H1897-L1899 WeakPolarHBondContact NE2-CD2 3.48Å |
| 1898 | T | 83.5 | Confident | 88.2 | Confident | 64 Ų | 64 | 35.8 Ų | 35.8 | 39% | 0.393 | 18% | 0.175 | S | C | . | . | trans | -119.9 | 134.9 | -179.9 | 56.5 | 0 | 0 | 0 | 0 | 110 | V1959 | T1898-V1959 HydrophobicContact CG2-CB 4.41Å; T1898-V1959 HydrophobicContact CG2-CG1 3.46Å; T1898-V1959 VanDerWaalsContact CG2-CG1 3.46Å; T1898-V1959 HydrophobicContact CG2-CG2 4.13Å | ||
| 1899 | L | 87.2 | Confident | 87.9 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | trans | -89.8 | 163.7 | 167.6 | -59.3 | -178.8 | 0 | 0 | 0 | 110.1 | L1851 I1852 E1888 F1889 A1892 H1897 D1901 Y1904 I1907 | L1851-L1899 HydrophobicContact CB-CD2 4.16Å; I1852-L1899 HydrophobicContact CG1-CD2 4Å; E1888-L1899 HydrophobicContact CB-CD2 4.34Å; F1889-L1899 HydrophobicContact CB-CD1 4.47Å; F1889-L1899 HydrophobicContact CD2-CD1 4.38Å; A1892-L1899 HydrophobicContact CB-CD1 4.17Å; A1892-L1899 HydrophobicContact CB-CG 3.82Å; H1897-L1899 WeakPolarHBondContact NE2-CD2 3.48Å; L1899-D1901 PolarHBondContact O-N 3.46Å; L1899-Y1904 HydrophobicContact CB-CD2 4.19Å; L1899-Y1904 HydrophobicContact CB-CE1 4.25Å; L1899-Y1904 HydrophobicContact CB-CE2 3.78Å; L1899-Y1904 HydrophobicContact CD1-CD1 4.42Å; L1899-Y1904 HydrophobicContact CD1-CE1 4.4Å; L1899-Y1904 HydrophobicContact CG-CE1 4.43Å; L1899-Y1904 PolarHBondContact N-OH 2.79Å; L1899-Y1904 VanDerWaalsContact N-OH 3.12Å; L1899-Y1904 VanDerWaalsContact O-CE2 3.32Å; L1899-Y1904 WeakPolarHBondContact O-CE2 3.41Å; L1899-I1907 HydrophobicContact CD1-CD1 4.09Å | ||
| 1900 | N | 86.1 | Confident | 87.7 | Confident | 41 Ų | 41 | 36.9 Ų | 36.9 | 22% | 0.219 | 18% | 0.179 | C | C | . | . | trans | -57.7 | 134.4 | 164.5 | -176 | -70.9 | 0 | 0 | 0 | 109.8 | L1851 I1852 S1855 N1902 N1903 | L1851-N1900 PolarHBondContact O-N 3.34Å; I1852-N1900 PolarHBondContact O-N 2.97Å; S1855-N1900 PolarHBondContact N-ND2 3.38Å; N1900-N1902 PolarHBondContact O-N 2.91Å; N1900-N1902 PolarHBondContact OD1-N 2.78Å; N1900-N1903 HydrophobicContact CB-CB 4.46Å; N1900-N1903 WeakPolarHBondContact O-CB 3.45Å; N1900-N1903 PolarHBondContact O-N 3.48Å | ||
| 1901 | D | 81.8 | Confident | 87.5 | Confident | 17 Ų | 17 | 37 Ų | 37 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -48.4 | -38.9 | -174 | -65.2 | 3.4 | 0 | 0 | 0 | 113.6 | L1899 S1963 L1971 | L1899-D1901 PolarHBondContact O-N 3.46Å; D1901-S1963 WeakPolarHBondContact OD1-CB 3.43Å; D1901-S1963 PolarHBondContact OD1-OG 3.48Å; D1901-S1963 PolarHBondContact OD2-OG 3.26Å; D1901-L1971 HydrophobicContact CB-CD2 4.24Å |
| 1902 | N | 83.5 | Confident | 87.1 | Confident | 99 Ų | 99 | 35.3 Ų | 35.3 | 53% | 0.529 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -69.7 | -35.2 | 179.4 | -69.4 | -36.9 | 0 | 0 | 0 | 112.6 | N1900 Y1904 M1905 T1906 | N1900-N1902 PolarHBondContact O-N 2.91Å; N1900-N1902 PolarHBondContact OD1-N 2.78Å; N1902-Y1904 VanDerWaalsContact C-N 3.31Å; N1902-Y1904 PolarHBondContact O-N 3.11Å; N1902-M1905 PolarHBondContact O-N 3.11Å; N1902-M1905 VanDerWaalsContact O-N 3.1Å; N1902-T1906 PolarHBondContact O-N 3Å; N1902-T1906 PolarHBondContact O-OG1 3.08Å |
| 1903 | N | 90.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.8 | -26.5 | -171.7 | -67.8 | -13.5 | 0 | 0 | 0 | 113 | L1851 Y1854 L1856 N1900 M1905 T1906 I1907 | L1851-N1903 WeakPolarHBondContact CA-ND2 2.99Å; L1851-N1903 HydrophobicContact CD2-CB 4.16Å; L1851-N1903 PolarHBondContact O-ND2 3.38Å; Y1854-N1903 PolarHBondContact O-ND2 3.4Å; L1856-N1903 PolarHBondContact N-OD1 2.69Å; N1900-N1903 HydrophobicContact CB-CB 4.46Å; N1900-N1903 WeakPolarHBondContact O-CB 3.45Å; N1900-N1903 PolarHBondContact O-N 3.48Å; N1903-M1905 VanDerWaalsContact C-N 3.3Å; N1903-M1905 PolarHBondContact O-N 3.43Å; N1903-T1906 PolarHBondContact O-N 2.94Å; N1903-I1907 WeakPolarHBondContact O-CG1 3.36Å; N1903-I1907 PolarHBondContact O-N 3.09Å |
| 1904 | Y | 89.4 | Confident | 86.4 | Confident | 7 Ų | 7 | 36.9 Ų | 36.9 | 3% | 0.027 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56 | -46.3 | 170 | -68 | -84.8 | 0 | 0 | 0 | 111.5 | F1889 A1892 L1899 N1902 I1908 L1975 | F1889-Y1904 HydrophobicContact CD2-CD1 4.27Å; F1889-Y1904 HydrophobicContact CE2-CD1 4.14Å; A1892-Y1904 HydrophobicContact CB-CE1 3.85Å; L1899-Y1904 HydrophobicContact CB-CD2 4.19Å; L1899-Y1904 HydrophobicContact CB-CE1 4.25Å; L1899-Y1904 HydrophobicContact CB-CE2 3.78Å; L1899-Y1904 HydrophobicContact CD1-CD1 4.42Å; L1899-Y1904 HydrophobicContact CD1-CE1 4.4Å; L1899-Y1904 HydrophobicContact CG-CE1 4.43Å; L1899-Y1904 PolarHBondContact N-OH 2.79Å; L1899-Y1904 VanDerWaalsContact N-OH 3.12Å; L1899-Y1904 VanDerWaalsContact O-CE2 3.32Å; L1899-Y1904 WeakPolarHBondContact O-CE2 3.41Å; N1902-Y1904 VanDerWaalsContact C-N 3.31Å; N1902-Y1904 PolarHBondContact O-N 3.11Å; Y1904-I1908 PolarHBondContact O-N 3.38Å; Y1904-L1975 HydrophobicContact CD1-CD1 4.3Å; Y1904-L1975 HydrophobicContact CG-CD1 4.49Å |
| 1905 | M | 87.1 | Confident | 85.7 | Confident | 54 Ų | 54 | 34.1 Ų | 34.1 | 27% | 0.266 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -77.3 | -32.9 | 178.7 | -64.9 | -54.8 | -65.9 | 0 | 0 | 111.9 | N1902 N1903 I1907 I1908 K1909 L1971 D1974 | N1902-M1905 PolarHBondContact O-N 3.11Å; N1902-M1905 VanDerWaalsContact O-N 3.1Å; N1903-M1905 VanDerWaalsContact C-N 3.3Å; N1903-M1905 PolarHBondContact O-N 3.43Å; M1905-I1907 VanDerWaalsContact C-N 3.32Å; M1905-I1907 PolarHBondContact O-N 3.43Å; M1905-I1908 PolarHBondContact O-N 3.03Å; M1905-I1908 HydrophobicContact SD-CD1 4.29Å; M1905-K1909 WeakPolarHBondContact O-CB 3.46Å; M1905-K1909 WeakPolarHBondContact O-CG 3.32Å; M1905-K1909 PolarHBondContact O-N 3.43Å; M1905-L1971 HydrophobicContact CG-CD1 4.06Å; M1905-D1974 HydrophobicContact CE-CB 4.32Å; M1905-D1974 HydrophobicContact SD-CB 4.38Å |
| 1906 | T | 88.4 | Confident | 85 | Confident | 11 Ų | 11 | 32 Ų | 32 | 7% | 0.067 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.9 | -42.7 | 171.4 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | L1856 V1858 V1861 N1902 N1903 K1909 L1910 | L1856-T1906 PolarHBondContact O-OG1 3.15Å; L1856-T1906 VanDerWaalsContact O-OG1 3.08Å; V1858-T1906 HydrophobicContact CG2-CG2 4.04Å; V1861-T1906 HydrophobicContact CB-CG2 4.37Å; V1861-T1906 HydrophobicContact CG2-CG2 3.95Å; N1902-T1906 PolarHBondContact O-N 3Å; N1902-T1906 PolarHBondContact O-OG1 3.08Å; N1903-T1906 PolarHBondContact O-N 2.94Å; T1906-K1909 PolarHBondContact O-N 3.29Å; T1906-L1910 PolarHBondContact O-N 3.34Å |
| 1907 | I | 91.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -72.5 | -37.8 | 179 | -65.8 | 172 | 0 | 0 | 0 | 111.8 | L1851 C1885 L1886 F1889 L1899 N1903 M1905 L1910 I1911 | L1851-I1907 HydrophobicContact CD2-CD1 4.11Å; C1885-I1907 HydrophobicContact CB-CD1 4.34Å; L1886-I1907 HydrophobicContact CD2-CG2 3.87Å; F1889-I1907 HydrophobicContact CB-CD1 3.89Å; F1889-I1907 HydrophobicContact CB-CG2 4.01Å; F1889-I1907 HydrophobicContact CD1-CG2 4.04Å; F1889-I1907 HydrophobicContact CD2-CB 4.2Å; F1889-I1907 HydrophobicContact CD2-CD1 4.3Å; F1889-I1907 HydrophobicContact CD2-CG2 4.08Å; F1889-I1907 HydrophobicContact CG-CB 4.4Å; F1889-I1907 HydrophobicContact CG-CD1 4.39Å; F1889-I1907 HydrophobicContact CG-CG2 3.8Å; L1899-I1907 HydrophobicContact CD1-CD1 4.09Å; N1903-I1907 WeakPolarHBondContact O-CG1 3.36Å; N1903-I1907 PolarHBondContact O-N 3.09Å; M1905-I1907 VanDerWaalsContact C-N 3.32Å; M1905-I1907 PolarHBondContact O-N 3.43Å; I1907-L1910 WeakPolarHBondContact O-CB 3.49Å; I1907-L1910 PolarHBondContact O-N 3.38Å; I1907-I1911 HydrophobicContact CG2-CD1 4.41Å; I1907-I1911 WeakPolarHBondContact O-CG1 3.22Å; I1907-I1911 PolarHBondContact O-N 3.38Å; I1907-I1911 VanDerWaalsContact O-N 3.08Å |
| 1908 | I | 88.8 | Confident | 83.5 | Confident | 6 Ų | 6 | 28.3 Ų | 28.3 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.1 | -46.2 | 170.1 | -73.1 | -178 | 0 | 0 | 0 | 110.6 | F1889 Y1904 M1905 L1910 I1911 L1912 L1975 L1979 | F1889-I1908 HydrophobicContact CE2-CG1 4.38Å; F1889-I1908 HydrophobicContact CZ-CD1 4.21Å; F1889-I1908 HydrophobicContact CZ-CG1 3.8Å; Y1904-I1908 PolarHBondContact O-N 3.38Å; M1905-I1908 PolarHBondContact O-N 3.03Å; M1905-I1908 HydrophobicContact SD-CD1 4.29Å; I1908-L1910 VanDerWaalsContact C-N 3.3Å; I1908-L1910 PolarHBondContact O-N 3.08Å; I1908-I1911 PolarHBondContact O-N 3.46Å; I1908-I1911 VanDerWaalsContact O-N 3.14Å; I1908-L1912 HydrophobicContact CG2-CD1 3.73Å; I1908-L1912 HydrophobicContact CG2-CG 4.2Å; I1908-L1912 WeakPolarHBondContact O-CG 3.25Å; I1908-L1912 PolarHBondContact O-N 3.34Å; I1908-L1975 HydrophobicContact CD1-CD1 3.54Å; I1908-L1975 HydrophobicContact CD1-CG 4.05Å; I1908-L1975 HydrophobicContact CG1-CD1 4.47Å; I1908-L1979 HydrophobicContact CD1-CG 4.16Å |
| 1909 | K | 87.5 | Confident | 82.9 | Confident | 59 Ų | 59 | 26.4 Ų | 26.4 | 26% | 0.257 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -58.4 | -40.1 | 176.4 | -79.1 | -176.4 | 167.3 | -158.3 | 0 | 111.7 | V1858 M1905 T1906 L1912 Y1913 V1919 D1920 | V1858-K1909 HydrophobicContact CG1-CB 4.48Å; V1858-K1909 HydrophobicContact CG2-CB 3.92Å; V1858-K1909 HydrophobicContact CG2-CD 3.78Å; V1858-K1909 HydrophobicContact CG2-CG 4.49Å; M1905-K1909 WeakPolarHBondContact O-CB 3.46Å; M1905-K1909 WeakPolarHBondContact O-CG 3.32Å; M1905-K1909 PolarHBondContact O-N 3.43Å; T1906-K1909 PolarHBondContact O-N 3.29Å; K1909-L1912 PolarHBondContact O-N 3.18Å; K1909-Y1913 VanDerWaalsContact O-CB 3.25Å; K1909-Y1913 WeakPolarHBondContact O-CB 3.3Å; K1909-Y1913 PolarHBondContact O-N 2.8Å; K1909-V1919 HydrophobicContact CB-CG1 3.92Å; K1909-V1919 HydrophobicContact CD-CG1 3.8Å; K1909-V1919 HydrophobicContact CG-CG1 3.92Å; K1909-D1920 IonicContact NZ-OD2 3.83Å; K1909-D1920 PolarHBondContact NZ-OD2 3.42Å |
| 1910 | L | 89 | Confident | 81.9 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.4 | -45.3 | 172.9 | 176.3 | 70.4 | 0 | 0 | 0 | 112.7 | V1861 V1862 T1906 I1907 I1908 D1914 T1930 A1932 | V1861-L1910 HydrophobicContact CG1-CD1 4.49Å; V1861-L1910 HydrophobicContact CG1-CD2 3.92Å; V1862-L1910 HydrophobicContact CG2-CD1 3.68Å; T1906-L1910 PolarHBondContact O-N 3.34Å; I1907-L1910 WeakPolarHBondContact O-CB 3.49Å; I1907-L1910 PolarHBondContact O-N 3.38Å; I1908-L1910 VanDerWaalsContact C-N 3.3Å; I1908-L1910 PolarHBondContact O-N 3.08Å; L1910-D1914 PolarHBondContact O-N 2.75Å; L1910-T1930 HydrophobicContact CD1-CG2 3.9Å; L1910-A1932 HydrophobicContact CD2-CB 4.28Å; L1910-A1932 HydrophobicContact CG-CB 3.88Å |
| 1911 | I | 87.7 | Confident | 81 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.4 | -43.1 | 177.1 | -62.8 | 164.4 | 0 | 0 | 0 | 110.9 | L1886 I1907 I1908 F1915 A1932 V1933 A1936 Y1982 | L1886-I1911 HydrophobicContact CD2-CD1 3.6Å; L1886-I1911 HydrophobicContact CD2-CG1 3.81Å; I1907-I1911 HydrophobicContact CG2-CD1 4.41Å; I1907-I1911 WeakPolarHBondContact O-CG1 3.22Å; I1907-I1911 PolarHBondContact O-N 3.38Å; I1907-I1911 VanDerWaalsContact O-N 3.08Å; I1908-I1911 PolarHBondContact O-N 3.46Å; I1908-I1911 VanDerWaalsContact O-N 3.14Å; I1911-F1915 PolarHBondContact O-N 2.77Å; I1911-A1932 HydrophobicContact CG1-CB 4.33Å; I1911-V1933 HydrophobicContact CG2-CG2 4.24Å; I1911-V1933 WeakPolarHBondContact O-CG2 3.26Å; I1911-A1936 HydrophobicContact CD1-CB 4.27Å; I1911-A1936 HydrophobicContact CG1-CB 4.41Å; I1911-Y1982 HydrophobicContact CG2-CD2 3.13Å; I1911-Y1982 HydrophobicContact CG2-CE2 3.51Å; I1911-Y1982 HydrophobicContact CG2-CG 3.82Å |
| 1912 | L | 84.2 | Confident | 80 | Confident | 17 Ų | 17 | 39.1 Ų | 39.1 | 9% | 0.089 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.4 | -35 | -178.4 | -66 | 178.6 | 0 | 0 | 0 | 112.6 | I1908 K1909 F1915 G1916 E1917 K1981 | I1908-L1912 HydrophobicContact CG2-CD1 3.73Å; I1908-L1912 HydrophobicContact CG2-CG 4.2Å; I1908-L1912 WeakPolarHBondContact O-CG 3.25Å; I1908-L1912 PolarHBondContact O-N 3.34Å; K1909-L1912 PolarHBondContact O-N 3.18Å; L1912-F1915 PolarHBondContact O-N 3.22Å; L1912-G1916 PolarHBondContact O-N 2.71Å; L1912-E1917 HydrophobicContact CB-CB 4.06Å; L1912-E1917 HydrophobicContact CB-CG 4.26Å; L1912-E1917 HydrophobicContact CD2-CG 4.31Å; L1912-E1917 PolarHBondContact O-N 2.91Å; L1912-K1981 HydrophobicContact CD1-CD 4.06Å; L1912-K1981 HydrophobicContact CD2-CB 3.97Å; L1912-K1981 HydrophobicContact CD2-CD 4.46Å |
| 1913 | Y | 82.3 | Confident | 79.1 | Confident | 12 Ų | 12 | 35.9 Ų | 35.9 | 5% | 0.047 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.6 | -49.9 | 174.2 | 178.3 | -96.6 | 0 | 0 | 0 | 112 | V1862 K1909 F1915 G1916 L1923 R1925 | V1862-Y1913 HydrophobicContact CG1-CD1 4.4Å; V1862-Y1913 HydrophobicContact CG1-CE1 3.91Å; V1862-Y1913 HydrophobicContact CG2-CD1 4.39Å; K1909-Y1913 VanDerWaalsContact O-CB 3.25Å; K1909-Y1913 WeakPolarHBondContact O-CB 3.3Å; K1909-Y1913 PolarHBondContact O-N 2.8Å; Y1913-F1915 VanDerWaalsContact C-N 3.32Å; Y1913-F1915 PolarHBondContact O-N 3.33Å; Y1913-G1916 PolarHBondContact O-N 2.92Å; Y1913-G1916 VanDerWaalsContact O-N 3.13Å; Y1913-L1923 HydrophobicContact CE2-CB 4.22Å; Y1913-L1923 WeakPolarHBondContact CE2-O 3.29Å; Y1913-L1923 PolarHBondContact OH-O 2.69Å; Y1913-L1923 VanDerWaalsContact OH-O 3.09Å; Y1913-R1925 WeakPolarHBondContact OH-CA 3.39Å |
| 1914 | D | 80.6 | Confident | 77.6 | Confident | 34 Ų | 34 | 41 Ų | 41 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.4 | -41.9 | 175.9 | -106.2 | 34.5 | 0 | 0 | 0 | 111.5 | L1910 G1916 R1925 T1930 A1931 A1932 V1933 | L1910-D1914 PolarHBondContact O-N 2.75Å; D1914-G1916 VanDerWaalsContact C-N 3.27Å; D1914-G1916 PolarHBondContact O-N 3.18Å; D1914-R1925 PolarHBondContact O-NH2 3.4Å; D1914-T1930 PolarHBondContact OD1-N 3.2Å; D1914-T1930 VanDerWaalsContact OD1-N 3.12Å; D1914-T1930 PolarHBondContact OD1-OG1 2.84Å; D1914-T1930 PolarHBondContact OD2-OG1 2.69Å; D1914-A1931 VanDerWaalsContact OD2-C 3.22Å; D1914-A1931 WeakPolarHBondContact OD2-CA 3.41Å; D1914-A1931 PolarHBondContact OD2-N 3.34Å; D1914-A1932 HydrophobicContact CB-CB 4.45Å; D1914-A1932 PolarHBondContact OD2-N 3.12Å; D1914-V1933 HydrophobicContact CB-CB 4.46Å; D1914-V1933 HydrophobicContact CB-CG2 3.74Å |
| 1915 | F | 73.1 | Confident | 76.1 | Confident | 29 Ų | 29 | 47.1 Ų | 47.1 | 13% | 0.127 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64 | -33.1 | 176.1 | -113.7 | -46.4 | 0 | 0 | 0 | 112.6 | I1911 L1912 Y1913 R1925 V1933 Y1982 H1985 E1986 | I1911-F1915 PolarHBondContact O-N 2.77Å; L1912-F1915 PolarHBondContact O-N 3.22Å; Y1913-F1915 VanDerWaalsContact C-N 3.32Å; Y1913-F1915 PolarHBondContact O-N 3.33Å; F1915-R1925 PolarHBondContact O-NH2 3.03Å; F1915-V1933 HydrophobicContact CB-CG2 3.92Å; F1915-V1933 HydrophobicContact CD1-CG1 4.36Å; F1915-V1933 HydrophobicContact CD1-CG2 4.31Å; F1915-V1933 HydrophobicContact CD2-CB 4.34Å; F1915-V1933 HydrophobicContact CD2-CG1 3.97Å; F1915-V1933 HydrophobicContact CD2-CG2 3.38Å; F1915-V1933 HydrophobicContact CE1-CG1 4Å; F1915-V1933 HydrophobicContact CE2-CB 4.42Å; F1915-V1933 HydrophobicContact CE2-CG1 3.62Å; F1915-V1933 HydrophobicContact CE2-CG2 3.92Å; F1915-V1933 HydrophobicContact CG-CG1 4.32Å; F1915-V1933 HydrophobicContact CG-CG2 3.61Å; F1915-V1933 HydrophobicContact CZ-CG1 3.61Å; F1915-Y1982 AromaticContact CD2-CD2 3.74Å; F1915-Y1982 HydrophobicContact CD2-CD2 3.74Å; F1915-Y1982 HydrophobicContact CD2-CE2 4.04Å; F1915-Y1982 AromaticContact CE2-CD2 3.46Å; F1915-Y1982 HydrophobicContact CE2-CD2 3.46Å; F1915-Y1982 VanDerWaalsContact CE2-CD2 3.46Å; F1915-Y1982 AromaticContact CE2-CE2 3.51Å; F1915-Y1982 HydrophobicContact CE2-CE2 3.51Å; F1915-H1985 AromaticContact CD1-CD2 3.41Å; F1915-H1985 VanDerWaalsContact CD1-CD2 3.41Å; F1915-H1985 WeakPolarHBondContact CD1-CD2 3.46Å; F1915-H1985 AromaticContact CD1-CG 3.95Å; F1915-H1985 AromaticContact CD1-NE2 3.66Å; F1915-H1985 HydrophobicContact CD2-CB 4.32Å; F1915-H1985 HydrophobicContact CE1-CB 4.37Å; F1915-H1985 AromaticContact CE1-CD2 3.13Å; F1915-H1985 WeakPolarHBondContact CE1-CD2 3.12Å; F1915-H1985 AromaticContact CE1-CG 3.88Å; F1915-H1985 AromaticContact CE1-NE2 3.75Å; F1915-H1985 HydrophobicContact CE2-CB 3.98Å; F1915-H1985 HydrophobicContact CZ-CB 4.03Å; F1915-H1985 AromaticContact CZ-CD2 3.63Å; F1915-E1986 HydrophobicContact CZ-CB 4.35Å |
| 1916 | G | 71.6 | Confident | 74.4 | Confident | 20 Ų | 20 | 53.1 Ų | 53.1 | 21% | 0.206 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 111.4 | 18.3 | 176 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1912 Y1913 D1914 R1925 | L1912-G1916 PolarHBondContact O-N 2.71Å; Y1913-G1916 PolarHBondContact O-N 2.92Å; Y1913-G1916 VanDerWaalsContact O-N 3.13Å; D1914-G1916 VanDerWaalsContact C-N 3.27Å; D1914-G1916 PolarHBondContact O-N 3.18Å; G1916-R1925 VanDerWaalsContact CA-NH1 3.32Å; G1916-R1925 VanDerWaalsContact CA-NH2 3.31Å |
| 1917 | E | 72.9 | Confident | 72.9 | Confident | 13 Ų | 13 | 56.5 Ų | 56.5 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | trans | -68.2 | 143 | 165.6 | -72.9 | -79 | 115.4 | 0 | 0 | 109.7 | L1912 V1919 K1981 C2039 S2040 A2041 | L1912-E1917 HydrophobicContact CB-CB 4.06Å; L1912-E1917 HydrophobicContact CB-CG 4.26Å; L1912-E1917 HydrophobicContact CD2-CG 4.31Å; L1912-E1917 PolarHBondContact O-N 2.91Å; E1917-V1919 PolarHBondContact O-N 2.87Å; E1917-K1981 IonicContact OE2-NZ 3.56Å; E1917-K1981 PolarHBondContact OE2-NZ 3.15Å; E1917-C2039 WeakPolarHBondContact OE1-CA 3.2Å; E1917-S2040 VanDerWaalsContact CD-N 3.31Å; E1917-S2040 PolarHBondContact OE1-N 2.83Å; E1917-S2040 PolarHBondContact OE2-N 3.4Å; E1917-A2041 PolarHBondContact OE1-N 2.75Å | ||
| 1918 | P | 68.4 | Low | 71.7 | Confident | 102 Ų | 102 | 59.9 Ų | 59.9 | 66% | 0.662 | 31% | 0.308 | S | S | * | . | trans | -64.9 | 124.3 | 168.2 | 28.2 | -32.6 | 0 | 0 | 0 | 109.5 | ||||
| 1919 | V | 69.3 | Low | 70.8 | Confident | 25 Ų | 25 | 63.1 Ų | 63.1 | 15% | 0.152 | 33% | 0.33 | C | S | . | . | trans | -115 | 145.4 | 176.1 | 177.8 | 0 | 0 | 0 | 0 | 108.2 | V1858 K1909 E1917 C1921 | V1858-V1919 HydrophobicContact CG1-CG1 4.37Å; K1909-V1919 HydrophobicContact CB-CG1 3.92Å; K1909-V1919 HydrophobicContact CD-CG1 3.8Å; K1909-V1919 HydrophobicContact CG-CG1 3.92Å; E1917-V1919 PolarHBondContact O-N 2.87Å; V1919-C1921 PolarHBondContact O-N 3.18Å | ||
| 1920 | D | 67 | Low | 70.6 | Confident | 139 Ų | 139 | 60.3 Ų | 60.3 | 74% | 0.743 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -69.2 | 76.1 | 176.1 | -31 | -73.4 | 0 | 0 | 0 | 111.3 | K1909 | K1909-D1920 IonicContact NZ-OD2 3.83Å; K1909-D1920 PolarHBondContact NZ-OD2 3.42Å |
| 1921 | C | 67 | Low | 70.3 | Confident | 26 Ų | 26 | 60.8 Ų | 60.8 | 18% | 0.176 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -157.6 | 149.5 | 173.7 | 58.6 | 0 | 0 | 0 | 0 | 110.3 | E1859 V1919 L1923 | E1859-C1921 HydrophobicContact CG-CB 4.02Å; V1919-C1921 PolarHBondContact O-N 3.18Å; C1921-L1923 HydrophobicContact CB-CD1 4.02Å; C1921-L1923 PolarHBondContact O-N 3.19Å; C1921-L1923 VanDerWaalsContact O-N 3.07Å |
| 1922 | D | 60.4 | Low | 70.3 | Confident | 166 Ų | 166 | 60.7 Ų | 60.7 | 89% | 0.888 | 32% | 0.321 | S | S | * | . | trans | -82.2 | 19.4 | -172.4 | -73.1 | -30.9 | 0 | 0 | 0 | 113.7 | E1859 | E1859-D1922 PolarHBondContact OE1-N 3.24Š| ||
| 1923 | L | 64.5 | Low | 70.4 | Confident | 30 Ų | 30 | 60.6 Ų | 60.6 | 16% | 0.157 | 32% | 0.321 | C | S | . | . | trans | -93.4 | 115.2 | -173 | -74.9 | 89.3 | 0 | 0 | 0 | 114.3 | E1859 V1862 Y1913 C1921 R1925 Y1928 | E1859-L1923 HydrophobicContact CB-CD1 3.74Å; E1859-L1923 HydrophobicContact CG-CD1 3.46Å; E1859-L1923 VanDerWaalsContact CG-CD1 3.46Å; E1859-L1923 WeakPolarHBondContact OE1-CD1 3.5Å; V1862-L1923 HydrophobicContact CB-CD2 4.11Å; V1862-L1923 HydrophobicContact CG1-CD2 3.64Å; Y1913-L1923 HydrophobicContact CE2-CB 4.22Å; Y1913-L1923 WeakPolarHBondContact CE2-O 3.29Å; Y1913-L1923 PolarHBondContact OH-O 2.69Å; Y1913-L1923 VanDerWaalsContact OH-O 3.09Å; C1921-L1923 HydrophobicContact CB-CD1 4.02Å; C1921-L1923 PolarHBondContact O-N 3.19Å; C1921-L1923 VanDerWaalsContact O-N 3.07Å; L1923-R1925 PolarHBondContact O-N 2.81Å; L1923-Y1928 HydrophobicContact CB-CD2 4.31Å; L1923-Y1928 HydrophobicContact CD2-CD1 4.44Å; L1923-Y1928 HydrophobicContact CD2-CD2 4.15Å; L1923-Y1928 HydrophobicContact CD2-CE2 4.33Å; L1923-Y1928 HydrophobicContact CD2-CG 4.23Å | ||
| 1924 | D | 58.5 | Low | 70.5 | Confident | 108 Ų | 108 | 65 Ų | 65 | 58% | 0.578 | 34% | 0.342 | S | S | * | . | trans | -67.6 | 113.8 | 176.9 | -169.5 | -1.9 | 0 | 0 | 0 | 113.4 | M1926 L1927 Y1928 | D1924-M1926 VanDerWaalsContact C-N 3.29Å; D1924-M1926 PolarHBondContact O-N 3.24Å; D1924-M1926 VanDerWaalsContact O-N 3.13Å; D1924-L1927 HydrophobicContact CB-CD1 3.96Å; D1924-L1927 PolarHBondContact O-N 3.17Å; D1924-L1927 VanDerWaalsContact O-N 3.14Å; D1924-Y1928 WeakPolarHBondContact O-CD2 3.43Å | ||
| 1925 | R | 58.6 | Low | 70.9 | Confident | 136 Ų | 136 | 63.8 Ų | 63.8 | 51% | 0.513 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -52.9 | -38.2 | -168 | -173.8 | -175.5 | 179 | -164.1 | 2.3 | 114.6 | Y1913 D1914 F1915 G1916 L1923 L1927 Y1928 | Y1913-R1925 WeakPolarHBondContact OH-CA 3.39Å; D1914-R1925 PolarHBondContact O-NH2 3.4Å; F1915-R1925 PolarHBondContact O-NH2 3.03Å; G1916-R1925 VanDerWaalsContact CA-NH1 3.32Å; G1916-R1925 VanDerWaalsContact CA-NH2 3.31Å; L1923-R1925 PolarHBondContact O-N 2.81Å; R1925-L1927 PolarHBondContact O-N 3.41Å; R1925-L1927 VanDerWaalsContact O-N 3.09Å; R1925-Y1928 PolarHBondContact O-N 3.42Å |
| 1926 | M | 52.3 | Low | 71.7 | Confident | 180 Ų | 180 | 62.4 Ų | 62.4 | 89% | 0.887 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -62.6 | -18.2 | -175.6 | -82.1 | -71.8 | -156.4 | 0 | 0 | 113.4 | D1924 | D1924-M1926 VanDerWaalsContact C-N 3.29Å; D1924-M1926 PolarHBondContact O-N 3.24Å; D1924-M1926 VanDerWaalsContact O-N 3.13Å |
| 1927 | L | 56.7 | Low | 72.5 | Confident | 81 Ų | 81 | 64.9 Ų | 64.9 | 42% | 0.424 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -96.1 | -22.3 | -176.6 | -70 | 107.3 | 0 | 0 | 0 | 114.6 | R1870 D1924 R1925 P1929 | R1870-L1927 PolarHBondContact NH2-O 3.19Å; D1924-L1927 HydrophobicContact CB-CD1 3.96Å; D1924-L1927 PolarHBondContact O-N 3.17Å; D1924-L1927 VanDerWaalsContact O-N 3.14Å; R1925-L1927 PolarHBondContact O-N 3.41Å; R1925-L1927 VanDerWaalsContact O-N 3.09Å; L1927-P1929 VanDerWaalsContact C-CD 3.47Å; L1927-P1929 VanDerWaalsContact O-CD 3.22Å; L1927-P1929 WeakPolarHBondContact O-CD 3.26Å |
| 1928 | Y | 64.5 | Low | 73.2 | Confident | 72 Ų | 72 | 69.1 Ų | 69.1 | 28% | 0.282 | 36% | 0.362 | S | S | . | . | trans | -122.8 | 66.5 | -162.3 | -58.8 | -81.1 | 0 | 0 | 0 | 115.5 | V1862 T1866 L1923 D1924 R1925 T1930 | V1862-Y1928 HydrophobicContact CG1-CG 4.49Å; T1866-Y1928 HydrophobicContact CG2-CD1 3.8Å; T1866-Y1928 HydrophobicContact CG2-CG 4.47Å; T1866-Y1928 WeakPolarHBondContact OG1-CB 3.46Å; L1923-Y1928 HydrophobicContact CB-CD2 4.31Å; L1923-Y1928 HydrophobicContact CD2-CD1 4.44Å; L1923-Y1928 HydrophobicContact CD2-CD2 4.15Å; L1923-Y1928 HydrophobicContact CD2-CE2 4.33Å; L1923-Y1928 HydrophobicContact CD2-CG 4.23Å; D1924-Y1928 WeakPolarHBondContact O-CD2 3.43Å; R1925-Y1928 PolarHBondContact O-N 3.42Å; Y1928-T1930 PolarHBondContact O-N 3.32Å | ||
| 1929 | P | 71.4 | Confident | 74.2 | Confident | 74 Ų | 74 | 66.4 Ų | 66.4 | 48% | 0.481 | 34% | 0.34 | S | S | . | . | trans | -77.4 | 114.5 | 178.6 | 31 | -34.2 | 0 | 0 | 0 | 112.7 | S1869 L1927 | S1869-P1929 WeakPolarHBondContact CB-O 3.11Å; S1869-P1929 PolarHBondContact OG-O 2.97Å; L1927-P1929 VanDerWaalsContact C-CD 3.47Å; L1927-P1929 VanDerWaalsContact O-CD 3.22Å; L1927-P1929 WeakPolarHBondContact O-CD 3.26Å | ||
| 1930 | T | 81.9 | Confident | 75.2 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -98.9 | -17.2 | -178.7 | 72 | 0 | 0 | 0 | 0 | 114.5 | V1862 C1865 Y1879 T1882 L1910 D1914 Y1928 A1932 | V1862-T1930 HydrophobicContact CG1-CG2 4.18Å; C1865-T1930 HydrophobicContact CB-CG2 3.88Å; Y1879-T1930 WeakPolarHBondContact CD1-O 3.37Å; T1882-T1930 WeakPolarHBondContact CG2-O 3.25Å; T1882-T1930 PolarHBondContact OG1-O 3.32Å; L1910-T1930 HydrophobicContact CD1-CG2 3.9Å; D1914-T1930 PolarHBondContact OD1-N 3.2Å; D1914-T1930 VanDerWaalsContact OD1-N 3.12Å; D1914-T1930 PolarHBondContact OD1-OG1 2.84Å; D1914-T1930 PolarHBondContact OD2-OG1 2.69Å; Y1928-T1930 PolarHBondContact O-N 3.32Å; T1930-A1932 PolarHBondContact O-N 2.99Å | ||
| 1931 | A | 83.8 | Confident | 76.2 | Confident | 11 Ų | 11 | 63.2 Ų | 63.2 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | trans | 56.4 | 27.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y1879 D1914 V1933 E1934 C1935 | Y1879-A1931 HydrophobicContact CD1-CB 3.46Å; Y1879-A1931 VanDerWaalsContact CD1-CB 3.46Å; Y1879-A1931 HydrophobicContact CD2-CB 4.12Å; Y1879-A1931 HydrophobicContact CE1-CB 3.37Å; Y1879-A1931 HydrophobicContact CE2-CB 4.05Å; Y1879-A1931 HydrophobicContact CG-CB 3.83Å; D1914-A1931 VanDerWaalsContact OD2-C 3.22Å; D1914-A1931 WeakPolarHBondContact OD2-CA 3.41Å; D1914-A1931 PolarHBondContact OD2-N 3.34Å; A1931-V1933 VanDerWaalsContact C-N 3.31Å; A1931-V1933 PolarHBondContact O-N 3.16Å; A1931-E1934 HydrophobicContact CB-CB 4.48Å; A1931-E1934 HydrophobicContact CB-CG 4.49Å; A1931-E1934 PolarHBondContact O-N 3.35Å; A1931-E1934 VanDerWaalsContact O-N 3.17Å; A1931-C1935 PolarHBondContact O-N 3.45Å; A1931-C1935 PolarHBondContact O-SG 3.44Å | ||
| 1932 | A | 87.7 | Confident | 77.4 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.4 | -40.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1882 L1886 L1910 I1911 D1914 T1930 E1934 C1935 A1936 | T1882-A1932 VanDerWaalsContact CG2-CA 3.47Å; T1882-A1932 HydrophobicContact CG2-CB 3.78Å; L1886-A1932 WeakPolarHBondContact CD1-O 3.29Å; L1910-A1932 HydrophobicContact CD2-CB 4.28Å; L1910-A1932 HydrophobicContact CG-CB 3.88Å; I1911-A1932 HydrophobicContact CG1-CB 4.33Å; D1914-A1932 HydrophobicContact CB-CB 4.45Å; D1914-A1932 PolarHBondContact OD2-N 3.12Å; T1930-A1932 PolarHBondContact O-N 2.99Å; A1932-E1934 VanDerWaalsContact C-N 3.29Å; A1932-E1934 PolarHBondContact O-N 3.4Å; A1932-C1935 PolarHBondContact O-N 3.03Å; A1932-A1936 WeakPolarHBondContact O-CB 3.34Å; A1932-A1936 PolarHBondContact O-N 3.25Å |
| 1933 | V | 85.3 | Confident | 79 | Confident | 14 Ų | 14 | 56.1 Ų | 56.1 | 9% | 0.085 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60 | -38.1 | 176.7 | 167.8 | 0 | 0 | 0 | 0 | 112.4 | I1911 D1914 F1915 A1931 R1937 Y1982 | I1911-V1933 HydrophobicContact CG2-CG2 4.24Å; I1911-V1933 WeakPolarHBondContact O-CG2 3.26Å; D1914-V1933 HydrophobicContact CB-CB 4.46Å; D1914-V1933 HydrophobicContact CB-CG2 3.74Å; F1915-V1933 HydrophobicContact CB-CG2 3.92Å; F1915-V1933 HydrophobicContact CD1-CG1 4.36Å; F1915-V1933 HydrophobicContact CD1-CG2 4.31Å; F1915-V1933 HydrophobicContact CD2-CB 4.34Å; F1915-V1933 HydrophobicContact CD2-CG1 3.97Å; F1915-V1933 HydrophobicContact CD2-CG2 3.38Å; F1915-V1933 HydrophobicContact CE1-CG1 4Å; F1915-V1933 HydrophobicContact CE2-CB 4.42Å; F1915-V1933 HydrophobicContact CE2-CG1 3.62Å; F1915-V1933 HydrophobicContact CE2-CG2 3.92Å; F1915-V1933 HydrophobicContact CG-CG1 4.32Å; F1915-V1933 HydrophobicContact CG-CG2 3.61Å; F1915-V1933 HydrophobicContact CZ-CG1 3.61Å; A1931-V1933 VanDerWaalsContact C-N 3.31Å; A1931-V1933 PolarHBondContact O-N 3.16Å; V1933-R1937 PolarHBondContact O-N 2.79Å; V1933-Y1982 HydrophobicContact CG1-CE2 4.26Å; V1933-Y1982 HydrophobicContact CG2-CE2 4.43Å; V1933-Y1982 PolarHBondContact O-OH 3.05Å |
| 1934 | E | 84.8 | Confident | 80.2 | Confident | 106 Ų | 106 | 55.1 Ų | 55.1 | 50% | 0.495 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -76.5 | -38.2 | 179.3 | -53.6 | -149.3 | 120.7 | 0 | 0 | 112.3 | A1931 A1932 A1936 R1937 | A1931-E1934 HydrophobicContact CB-CB 4.48Å; A1931-E1934 HydrophobicContact CB-CG 4.49Å; A1931-E1934 PolarHBondContact O-N 3.35Å; A1931-E1934 VanDerWaalsContact O-N 3.17Å; A1932-E1934 VanDerWaalsContact C-N 3.29Å; A1932-E1934 PolarHBondContact O-N 3.4Å; E1934-A1936 VanDerWaalsContact C-N 3.31Å; E1934-R1937 WeakPolarHBondContact O-CB 3.43Å; E1934-R1937 PolarHBondContact O-N 3.05Å; E1934-R1937 IonicContact OE1-NH1 2.98Å |
| 1935 | C | 88.9 | Confident | 81.7 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 5% | 0.054 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -73.9 | -21.8 | 177.9 | -63.5 | 0 | 0 | 0 | 0 | 112.9 | T1882 R1883 L1886 A1931 A1932 P1938 | T1882-C1935 HydrophobicContact CG2-CB 4.42Å; R1883-C1935 HydrophobicContact CG-CB 3.86Å; L1886-C1935 HydrophobicContact CD1-CB 3.42Å; L1886-C1935 VanDerWaalsContact CD1-CB 3.42Å; A1931-C1935 PolarHBondContact O-N 3.45Å; A1931-C1935 PolarHBondContact O-SG 3.44Å; A1932-C1935 PolarHBondContact O-N 3.03Å; C1935-P1938 WeakPolarHBondContact O-CD 3.46Å |
| 1936 | A | 89.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -81.5 | -24.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1886 I1911 A1932 E1934 P1938 F1939 F1943 Y1982 | L1886-A1936 HydrophobicContact CD1-CB 4.13Å; L1886-A1936 HydrophobicContact CD2-CB 4.19Å; I1911-A1936 HydrophobicContact CD1-CB 4.27Å; I1911-A1936 HydrophobicContact CG1-CB 4.41Å; A1932-A1936 WeakPolarHBondContact O-CB 3.34Å; A1932-A1936 PolarHBondContact O-N 3.25Å; E1934-A1936 VanDerWaalsContact C-N 3.31Å; A1936-P1938 VanDerWaalsContact C-CD 3.43Å; A1936-F1939 PolarHBondContact O-N 2.9Å; A1936-F1943 HydrophobicContact CB-CE2 4.2Å; A1936-Y1982 VanDerWaalsContact C-OH 3.32Å; A1936-Y1982 HydrophobicContact CB-CE1 4.07Å; A1936-Y1982 HydrophobicContact CB-CE2 4.12Å; A1936-Y1982 WeakPolarHBondContact CB-OH 3.2Å |
| 1937 | R | 88.1 | Confident | 85.1 | Confident | 72 Ų | 72 | 41.4 Ų | 41.4 | 27% | 0.272 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -55.5 | -37.6 | -176.3 | -171.6 | -178.6 | -62.8 | 118.9 | 12.2 | 115.4 | V1933 E1934 F1939 L1940 Y1982 E1986 R1989 | V1933-R1937 PolarHBondContact O-N 2.79Å; E1934-R1937 WeakPolarHBondContact O-CB 3.43Å; E1934-R1937 PolarHBondContact O-N 3.05Å; E1934-R1937 IonicContact OE1-NH1 2.98Å; R1937-F1939 PolarHBondContact O-N 3.46Å; R1937-L1940 WeakPolarHBondContact O-CB 3.32Å; R1937-L1940 PolarHBondContact O-N 3.25Å; R1937-Y1982 WeakPolarHBondContact CA-OH 3.18Å; R1937-Y1982 PolarHBondContact N-OH 2.93Å; R1937-Y1982 VanDerWaalsContact N-OH 3.09Å; R1937-E1986 WeakPolarHBondContact CD-OE1 3.47Å; R1937-E1986 IonicContact CZ-OE1 3.87Å; R1937-E1986 IonicContact NE-OE1 3.57Å; R1937-E1986 PolarHBondContact NE-OE1 3.29Å; R1937-E1986 IonicContact NH2-OE1 3.28Å; R1937-E1986 IonicContact NH2-OE2 3.8Å; R1937-R1989 VanDerWaalsContact CZ-NH2 3.3Å; R1937-R1989 VanDerWaalsContact NE-NH2 3.18Å |
| 1938 | P | 88.3 | Confident | 86.7 | Confident | 101 Ų | 101 | 41.1 Ų | 41.1 | 66% | 0.656 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -63.1 | -28.1 | 175.1 | -23 | 35.6 | 0 | 0 | 0 | 113.7 | C1935 A1936 L1940 | C1935-P1938 WeakPolarHBondContact O-CD 3.46Å; A1936-P1938 VanDerWaalsContact C-CD 3.43Å; P1938-L1940 VanDerWaalsContact C-N 3.33Å |
| 1939 | F | 90.7 | Very high | 87.8 | Confident | 45 Ų | 45 | 39.7 Ų | 39.7 | 20% | 0.197 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -90 | 4.8 | -179.6 | -52.4 | -67.9 | 0 | 0 | 0 | 112.8 | L1886 C1890 A1936 R1937 M1941 D1942 F1943 | L1886-F1939 HydrophobicContact CB-CE2 4.17Å; C1890-F1939 HydrophobicContact CB-CD1 3.87Å; C1890-F1939 HydrophobicContact CB-CE1 4.08Å; C1890-F1939 HydrophobicContact CB-CG 4.18Å; C1890-F1939 WeakPolarHBondContact SG-CD1 3.37Å; A1936-F1939 PolarHBondContact O-N 2.9Å; R1937-F1939 PolarHBondContact O-N 3.46Å; F1939-M1941 VanDerWaalsContact C-N 3.3Å; F1939-M1941 PolarHBondContact O-N 3.29Å; F1939-D1942 WeakPolarHBondContact O-CA 3.5Å; F1939-D1942 WeakPolarHBondContact O-CB 3.39Å; F1939-D1942 PolarHBondContact O-N 3.04Å; F1939-F1943 HydrophobicContact CB-CE1 3.88Å; F1939-F1943 HydrophobicContact CB-CE2 3.97Å; F1939-F1943 HydrophobicContact CB-CZ 3.58Å; F1939-F1943 WeakPolarHBondContact O-CG 3.48Å; F1939-F1943 PolarHBondContact O-N 3.37Å |
| 1940 | L | 89.4 | Confident | 88.5 | Confident | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.7 | -36.4 | -174.1 | -179.1 | 63.3 | 0 | 0 | 0 | 113.4 | R1937 P1938 F1943 I1944 Y1982 V1983 E1986 Y2001 | R1937-L1940 WeakPolarHBondContact O-CB 3.32Å; R1937-L1940 PolarHBondContact O-N 3.25Å; P1938-L1940 VanDerWaalsContact C-N 3.33Å; L1940-F1943 PolarHBondContact O-N 3.16Å; L1940-I1944 HydrophobicContact CG-CD1 4.33Å; L1940-I1944 WeakPolarHBondContact O-CG1 3.41Å; L1940-I1944 PolarHBondContact O-N 2.81Å; L1940-Y1982 HydrophobicContact CD1-CD1 4.37Å; L1940-Y1982 HydrophobicContact CD1-CE1 3.97Å; L1940-V1983 HydrophobicContact CD1-CB 4.36Å; L1940-V1983 HydrophobicContact CD1-CG1 4.42Å; L1940-V1983 HydrophobicContact CD1-CG2 3.88Å; L1940-E1986 HydrophobicContact CD2-CB 4.46Å; L1940-E1986 HydrophobicContact CD2-CG 3.79Å; L1940-Y2001 HydrophobicContact CD2-CD1 3.89Å; L1940-Y2001 HydrophobicContact CD2-CE1 3.42Å; L1940-Y2001 VanDerWaalsContact CD2-CE1 3.42Å; L1940-Y2001 HydrophobicContact CG-CE1 4.48Å |
| 1941 | M | 88.9 | Confident | 88.7 | Confident | 92 Ų | 92 | 40.4 Ų | 40.4 | 45% | 0.453 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69.6 | -38.5 | 175 | -64.1 | -57.9 | -178.4 | 0 | 0 | 111.7 | F1939 F1943 I1944 E1945 R2000 Y2001 | F1939-M1941 VanDerWaalsContact C-N 3.3Å; F1939-M1941 PolarHBondContact O-N 3.29Å; M1941-F1943 VanDerWaalsContact C-N 3.27Å; M1941-F1943 PolarHBondContact O-N 2.81Å; M1941-I1944 PolarHBondContact O-N 3.35Å; M1941-I1944 VanDerWaalsContact O-N 3.16Å; M1941-I1944 HydrophobicContact SD-CD1 4.12Å; M1941-E1945 WeakPolarHBondContact O-CG 3.27Å; M1941-E1945 PolarHBondContact O-N 2.84Å; M1941-R2000 WeakPolarHBondContact CE-O 3.48Å; M1941-Y2001 HydrophobicContact CE-CD1 3.85Å; M1941-Y2001 HydrophobicContact CE-CE1 4.36Å |
| 1942 | D | 90.6 | Very high | 88.9 | Confident | 42 Ų | 42 | 40 Ų | 40 | 23% | 0.225 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61 | -37.7 | 173.7 | -59.7 | -47.4 | 0 | 0 | 0 | 111.4 | C1890 K1894 F1939 F1946 | C1890-D1942 PolarHBondContact SG-OD2 3.15Å; K1894-D1942 WeakPolarHBondContact CE-OD1 3.35Å; K1894-D1942 IonicContact NZ-OD1 2.85Å; K1894-D1942 PolarHBondContact NZ-OD1 2.9Å; K1894-D1942 IonicContact NZ-OD2 3.74Å; K1894-D1942 PolarHBondContact NZ-OD2 3.25Å; F1939-D1942 WeakPolarHBondContact O-CA 3.5Å; F1939-D1942 WeakPolarHBondContact O-CB 3.39Å; F1939-D1942 PolarHBondContact O-N 3.04Å; D1942-F1946 WeakPolarHBondContact O-CB 3.49Å; D1942-F1946 PolarHBondContact O-N 3.32Å |
| 1943 | F | 93.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.7 | -37.2 | 175.4 | -55.9 | -29.1 | 0 | 0 | 0 | 112.3 | F1889 L1893 A1936 F1939 L1940 M1941 F1946 L1947 L1979 Y1982 V1983 | F1889-F1943 HydrophobicContact CD1-CE1 4.34Å; F1889-F1943 HydrophobicContact CE1-CE1 4.13Å; F1889-F1943 HydrophobicContact CE1-CZ 4.41Å; L1893-F1943 HydrophobicContact CD1-CD1 3.64Å; L1893-F1943 HydrophobicContact CD1-CE1 3.63Å; A1936-F1943 HydrophobicContact CB-CE2 4.2Å; F1939-F1943 HydrophobicContact CB-CE1 3.88Å; F1939-F1943 HydrophobicContact CB-CE2 3.97Å; F1939-F1943 HydrophobicContact CB-CZ 3.58Å; F1939-F1943 WeakPolarHBondContact O-CG 3.48Å; F1939-F1943 PolarHBondContact O-N 3.37Å; L1940-F1943 PolarHBondContact O-N 3.16Å; M1941-F1943 VanDerWaalsContact C-N 3.27Å; M1941-F1943 PolarHBondContact O-N 2.81Å; F1943-F1946 PolarHBondContact O-N 3.17Å; F1943-L1947 WeakPolarHBondContact O-CG 3.07Å; F1943-L1947 PolarHBondContact O-N 3.4Å; F1943-L1979 HydrophobicContact CB-CD2 4.39Å; F1943-L1979 HydrophobicContact CD1-CD2 3.88Å; F1943-L1979 HydrophobicContact CD2-CD2 4.35Å; F1943-L1979 HydrophobicContact CE1-CD2 4.2Å; F1943-L1979 HydrophobicContact CG-CD2 3.96Å; F1943-Y1982 AromaticContact CD2-CD1 3.85Å; F1943-Y1982 HydrophobicContact CD2-CD1 3.85Å; F1943-Y1982 AromaticContact CD2-CE1 3.81Å; F1943-Y1982 HydrophobicContact CD2-CE1 3.81Å; F1943-Y1982 HydrophobicContact CE2-CD1 4.03Å; F1943-Y1982 AromaticContact CE2-CE1 3.75Å; F1943-Y1982 HydrophobicContact CE2-CE1 3.75Å; F1943-V1983 HydrophobicContact CB-CG2 4.01Å |
| 1944 | I | 90.3 | Very high | 88.8 | Confident | 9 Ų | 9 | 41 Ų | 41 | 5% | 0.046 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.4 | -43.9 | 175 | -69.4 | 165.3 | 0 | 0 | 0 | 110.5 | L1940 M1941 F1946 L1947 Q1948 V1983 Y2001 L2028 | L1940-I1944 HydrophobicContact CG-CD1 4.33Å; L1940-I1944 WeakPolarHBondContact O-CG1 3.41Å; L1940-I1944 PolarHBondContact O-N 2.81Å; M1941-I1944 PolarHBondContact O-N 3.35Å; M1941-I1944 VanDerWaalsContact O-N 3.16Å; M1941-I1944 HydrophobicContact SD-CD1 4.12Å; I1944-F1946 VanDerWaalsContact C-N 3.33Å; I1944-F1946 PolarHBondContact O-N 3.38Å; I1944-L1947 PolarHBondContact O-N 2.76Å; I1944-Q1948 WeakPolarHBondContact O-CB 3.25Å; I1944-Q1948 PolarHBondContact O-N 3.07Å; I1944-V1983 HydrophobicContact CD1-CG1 4.33Å; I1944-V1983 HydrophobicContact CG1-CG1 3.85Å; I1944-V1983 HydrophobicContact CG1-CG2 4.4Å; I1944-Y2001 HydrophobicContact CD1-CD1 4.37Å; I1944-L2028 HydrophobicContact CG2-CD1 4.38Å; I1944-L2028 HydrophobicContact CG2-CD2 4.02Å |
| 1945 | E | 89.5 | Confident | 88.8 | Confident | 125 Ų | 125 | 41.4 Ų | 41.4 | 58% | 0.584 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -59.1 | -42.8 | 173.4 | -72.7 | -179.9 | -174.7 | 0 | 0 | 111.7 | M1941 L1947 Q1948 D1949 | M1941-E1945 WeakPolarHBondContact O-CG 3.27Å; M1941-E1945 PolarHBondContact O-N 2.84Å; E1945-L1947 PolarHBondContact O-N 3.25Å; E1945-Q1948 PolarHBondContact O-N 3.43Å; E1945-D1949 PolarHBondContact O-N 3.2Å |
| 1946 | F | 91.7 | Very high | 88.5 | Confident | 11 Ų | 11 | 41.6 Ų | 41.6 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.1 | -36.5 | 176.5 | -173.7 | -87.1 | 0 | 0 | 0 | 113.5 | L1893 F1895 D1942 F1943 I1944 V1952 M1956 L1975 K1976 L1979 | L1893-F1946 HydrophobicContact CB-CD2 3.9Å; L1893-F1946 HydrophobicContact CB-CE2 3.97Å; L1893-F1946 HydrophobicContact CD2-CD2 4.12Å; L1893-F1946 HydrophobicContact CD2-CE1 4.19Å; L1893-F1946 HydrophobicContact CD2-CE2 3.64Å; L1893-F1946 HydrophobicContact CD2-CZ 3.67Å; L1893-F1946 HydrophobicContact CG-CD2 4.45Å; L1893-F1946 HydrophobicContact CG-CE2 4.34Å; F1895-F1946 HydrophobicContact CZ-CE2 4.36Å; D1942-F1946 WeakPolarHBondContact O-CB 3.49Å; D1942-F1946 PolarHBondContact O-N 3.32Å; F1943-F1946 PolarHBondContact O-N 3.17Å; I1944-F1946 VanDerWaalsContact C-N 3.33Å; I1944-F1946 PolarHBondContact O-N 3.38Å; F1946-V1952 HydrophobicContact CD1-CG1 4.11Å; F1946-V1952 HydrophobicContact CD2-CG1 3.9Å; F1946-V1952 HydrophobicContact CD2-CG2 3.97Å; F1946-V1952 HydrophobicContact CE1-CG1 3.58Å; F1946-V1952 HydrophobicContact CE2-CB 4.41Å; F1946-V1952 HydrophobicContact CE2-CG1 3.36Å; F1946-V1952 HydrophobicContact CE2-CG2 4.12Å; F1946-V1952 HydrophobicContact CG-CG1 4.25Å; F1946-V1952 HydrophobicContact CG-CG2 4.43Å; F1946-V1952 HydrophobicContact CZ-CG1 3.17Å; F1946-M1956 HydrophobicContact CZ-SD 3.87Å; F1946-L1975 HydrophobicContact CE1-CD2 3.51Å; F1946-L1975 HydrophobicContact CE1-CG 4.41Å; F1946-L1975 HydrophobicContact CE2-CD2 4.46Å; F1946-L1975 HydrophobicContact CZ-CD2 3.34Å; F1946-K1976 HydrophobicContact CD1-CG 4.48Å; F1946-K1976 HydrophobicContact CE1-CG 4.13Å; F1946-K1976 WeakPolarHBondContact O-CE 3.43Å; F1946-L1979 HydrophobicContact CD1-CD1 3.52Å; F1946-L1979 HydrophobicContact CE1-CD1 3.74Å; F1946-L1979 HydrophobicContact CG-CD1 4.31Å |
| 1947 | L | 91.6 | Very high | 88 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.1 | -39.2 | 173.1 | -68.6 | 173 | 0 | 0 | 0 | 111.5 | F1943 I1944 E1945 K1976 L1979 A1980 V1983 L2028 W2031 | F1943-L1947 WeakPolarHBondContact O-CG 3.07Å; F1943-L1947 PolarHBondContact O-N 3.4Å; I1944-L1947 PolarHBondContact O-N 2.76Å; E1945-L1947 PolarHBondContact O-N 3.25Å; L1947-K1976 HydrophobicContact CD2-CB 3.94Å; L1947-K1976 HydrophobicContact CD2-CD 4.37Å; L1947-K1976 HydrophobicContact CD2-CG 4.03Å; L1947-K1976 VanDerWaalsContact CD2-O 3.29Å; L1947-K1976 WeakPolarHBondContact CD2-O 3.37Å; L1947-K1976 PolarHBondContact O-NZ 2.82Å; L1947-L1979 HydrophobicContact CD2-CB 4.35Å; L1947-A1980 HydrophobicContact CD1-CB 4.13Å; L1947-A1980 HydrophobicContact CD2-CB 4.16Å; L1947-V1983 HydrophobicContact CD1-CB 4.33Å; L1947-V1983 HydrophobicContact CD1-CG2 4.02Å; L1947-L2028 HydrophobicContact CB-CD1 3.76Å; L1947-W2031 HydrophobicContact CD2-CB 4.4Å |
| 1948 | Q | 89.1 | Confident | 87.5 | Confident | 75 Ų | 75 | 44.1 Ų | 44.1 | 35% | 0.35 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -70.5 | -41.2 | -177.3 | -169.9 | 174 | -22.7 | 0 | 0 | 113.2 | I1944 E1945 Y1950 R2027 L2028 | I1944-Q1948 WeakPolarHBondContact O-CB 3.25Å; I1944-Q1948 PolarHBondContact O-N 3.07Å; E1945-Q1948 PolarHBondContact O-N 3.43Å; Q1948-Y1950 PolarHBondContact O-N 3.23Å; Q1948-R2027 PolarHBondContact O-NH1 2.72Å; Q1948-R2027 PolarHBondContact O-NH2 2.99Å; Q1948-L2028 HydrophobicContact CB-CD1 4.37Å; Q1948-L2028 HydrophobicContact CB-CD2 4.22Å; Q1948-L2028 HydrophobicContact CG-CD2 4.31Å |
| 1949 | D | 89.2 | Confident | 86.9 | Confident | 43 Ų | 43 | 40.7 Ų | 40.7 | 23% | 0.23 | 19% | 0.192 | C | C | . | . | trans | -66.9 | 123.8 | 177.3 | -174.8 | 2.8 | 0 | 0 | 0 | 110.8 | E1945 H1951 V1952 R1955 K1976 | E1945-D1949 PolarHBondContact O-N 3.2Å; D1949-H1951 VanDerWaalsContact OD1-CB 3.32Å; D1949-H1951 WeakPolarHBondContact OD1-CB 3.23Å; D1949-H1951 IonicContact OD1-CD2 3.52Å; D1949-H1951 IonicContact OD1-CG 3.24Å; D1949-H1951 PolarHBondContact OD1-N 2.94Å; D1949-V1952 HydrophobicContact CB-CG2 3.73Å; D1949-R1955 IonicContact OD2-CZ 2.88Å; D1949-R1955 IonicContact OD2-NH1 2.78Å; D1949-R1955 PolarHBondContact OD2-NH1 3.48Å; D1949-R1955 IonicContact OD2-NH2 3.21Å; D1949-K1976 PolarHBondContact O-NZ 2.85Å | ||
| 1950 | Y | 84.6 | Confident | 85.8 | Confident | 36 Ų | 36 | 38.8 Ų | 38.8 | 14% | 0.141 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -85.4 | -20.7 | 176.2 | 65.6 | -73 | 0 | 0 | 0 | 112.9 | Q1948 V1952 L2076 | Q1948-Y1950 PolarHBondContact O-N 3.23Å; Y1950-V1952 VanDerWaalsContact C-N 3.26Å; Y1950-V1952 PolarHBondContact O-N 2.85Å; Y1950-L2076 HydrophobicContact CD1-CD2 4.5Å; Y1950-L2076 HydrophobicContact CE1-CD2 3.96Å |
| 1951 | H | 87.7 | Confident | 84.7 | Confident | 53 Ų | 53 | 46 Ų | 46 | 25% | 0.245 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73.5 | -20.3 | 178.3 | -60.6 | -58.3 | 0 | 0 | 0 | 112.8 | D1949 L1953 N1954 R1955 S2219 | D1949-H1951 VanDerWaalsContact OD1-CB 3.32Å; D1949-H1951 WeakPolarHBondContact OD1-CB 3.23Å; D1949-H1951 IonicContact OD1-CD2 3.52Å; D1949-H1951 IonicContact OD1-CG 3.24Å; D1949-H1951 PolarHBondContact OD1-N 2.94Å; H1951-L1953 VanDerWaalsContact C-N 3.28Å; H1951-L1953 PolarHBondContact O-N 2.94Å; H1951-N1954 PolarHBondContact O-N 2.82Å; H1951-N1954 VanDerWaalsContact O-N 3.13Å; H1951-R1955 PolarHBondContact O-N 3.15Å; H1951-S2219 PolarHBondContact ND1-OG 2.71Å |
| 1952 | V | 88.1 | Confident | 83.4 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -48 | -45.7 | 174.9 | 157.9 | 0 | 0 | 0 | 0 | 112.7 | F1895 F1946 D1949 Y1950 N1954 R1955 M1956 | F1895-V1952 HydrophobicContact CE2-CG2 4.22Å; F1895-V1952 HydrophobicContact CZ-CG1 4.39Å; F1895-V1952 HydrophobicContact CZ-CG2 4.47Å; F1946-V1952 HydrophobicContact CD1-CG1 4.11Å; F1946-V1952 HydrophobicContact CD2-CG1 3.9Å; F1946-V1952 HydrophobicContact CD2-CG2 3.97Å; F1946-V1952 HydrophobicContact CE1-CG1 3.58Å; F1946-V1952 HydrophobicContact CE2-CB 4.41Å; F1946-V1952 HydrophobicContact CE2-CG1 3.36Å; F1946-V1952 HydrophobicContact CE2-CG2 4.12Å; F1946-V1952 HydrophobicContact CG-CG1 4.25Å; F1946-V1952 HydrophobicContact CG-CG2 4.43Å; F1946-V1952 HydrophobicContact CZ-CG1 3.17Å; D1949-V1952 HydrophobicContact CB-CG2 3.73Å; Y1950-V1952 VanDerWaalsContact C-N 3.26Å; Y1950-V1952 PolarHBondContact O-N 2.85Å; V1952-N1954 VanDerWaalsContact C-N 3.34Å; V1952-N1954 PolarHBondContact O-N 3.01Å; V1952-R1955 PolarHBondContact O-N 2.82Å; V1952-M1956 WeakPolarHBondContact O-CG 3.47Å; V1952-M1956 PolarHBondContact O-N 3.25Å |
| 1953 | L | 86.5 | Confident | 82 | Confident | 12 Ų | 12 | 50.8 Ų | 50.8 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.7 | -38.1 | -177.4 | -63.4 | -179.5 | 0 | 0 | 0 | 112.1 | H1951 K1957 G1972 K1976 G2212 E2215 L2216 | H1951-L1953 VanDerWaalsContact C-N 3.28Å; H1951-L1953 PolarHBondContact O-N 2.94Å; L1953-K1957 WeakPolarHBondContact O-CB 3.24Å; L1953-K1957 PolarHBondContact O-N 3.22Å; L1953-G1972 VanDerWaalsContact CD2-O 3.26Å; L1953-G1972 WeakPolarHBondContact CD2-O 3.07Å; L1953-K1976 HydrophobicContact CD2-CD 4.12Å; L1953-K1976 HydrophobicContact CD2-CG 4.22Å; L1953-K1976 HydrophobicContact CG-CD 4.46Å; L1953-G2212 WeakPolarHBondContact CD1-O 3.25Å; L1953-E2215 HydrophobicContact CD1-CB 3.8Å; L1953-L2216 HydrophobicContact CB-CD1 4.28Å |
| 1954 | N | 83.5 | Confident | 80.2 | Confident | 21 Ų | 21 | 53.5 Ų | 53.5 | 11% | 0.112 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.1 | -37.8 | 176.8 | -161.8 | 32.9 | 0 | 0 | 0 | 111.6 | H1951 V1952 K1957 N1958 L2216 S2219 | H1951-N1954 PolarHBondContact O-N 2.82Å; H1951-N1954 VanDerWaalsContact O-N 3.13Å; V1952-N1954 VanDerWaalsContact C-N 3.34Å; V1952-N1954 PolarHBondContact O-N 3.01Å; N1954-K1957 PolarHBondContact O-N 3.49Å; N1954-N1958 PolarHBondContact O-N 2.87Å; N1954-N1958 VanDerWaalsContact O-N 3.11Å; N1954-L2216 HydrophobicContact CB-CD1 3.93Å; N1954-S2219 WeakPolarHBondContact CB-OG 3.16Å |
| 1955 | R | 85.3 | Confident | 78.6 | Confident | 115 Ų | 115 | 54 Ų | 54 | 43% | 0.434 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 172.8 | -67.6 | -178.7 | -170.7 | 140.5 | 7.9 | 111.6 | F1895 D1949 H1951 V1952 K1957 N1958 V1959 | F1895-R1955 HydrophobicContact CD1-CB 4.04Å; F1895-R1955 HydrophobicContact CE1-CB 3.49Å; F1895-R1955 VanDerWaalsContact CE1-CB 3.49Å; F1895-R1955 HydrophobicContact CE2-CB 4.04Å; F1895-R1955 HydrophobicContact CZ-CB 3.49Å; F1895-R1955 VanDerWaalsContact CZ-CB 3.49Å; F1895-R1955 HydrophobicContact CZ-CG 4.45Å; D1949-R1955 IonicContact OD2-CZ 2.88Å; D1949-R1955 IonicContact OD2-NH1 2.78Å; D1949-R1955 PolarHBondContact OD2-NH1 3.48Å; D1949-R1955 IonicContact OD2-NH2 3.21Å; H1951-R1955 PolarHBondContact O-N 3.15Å; V1952-R1955 PolarHBondContact O-N 2.82Å; R1955-K1957 PolarHBondContact O-N 3.38Å; R1955-N1958 PolarHBondContact O-N 3.43Å; R1955-V1959 PolarHBondContact O-N 3.43Å |
| 1956 | M | 81.4 | Confident | 76.7 | Confident | 13 Ų | 13 | 57 Ų | 57 | 6% | 0.064 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.6 | -40 | 175.1 | -77.3 | -157.5 | 79.3 | 0 | 0 | 112.7 | F1895 F1946 V1952 N1958 V1959 A1960 L1971 L1975 | F1895-M1956 HydrophobicContact CE1-CG 3.78Å; F1895-M1956 HydrophobicContact CZ-CG 3.95Å; F1946-M1956 HydrophobicContact CZ-SD 3.87Å; V1952-M1956 WeakPolarHBondContact O-CG 3.47Å; V1952-M1956 PolarHBondContact O-N 3.25Å; M1956-N1958 VanDerWaalsContact C-N 3.28Å; M1956-N1958 PolarHBondContact O-N 3.49Å; M1956-V1959 PolarHBondContact O-N 2.88Å; M1956-A1960 WeakPolarHBondContact O-CB 3.44Å; M1956-A1960 PolarHBondContact O-N 2.82Å; M1956-L1971 HydrophobicContact CE-CD2 4.36Å; M1956-L1971 HydrophobicContact CE-CG 4.34Å; M1956-L1975 HydrophobicContact CE-CD2 3.76Å; M1956-L1975 HydrophobicContact SD-CD2 3.39Å; M1956-L1975 WeakPolarHBondContact SD-CD2 3.48Å |
| 1957 | K | 80.4 | Confident | 75.2 | Confident | 46 Ų | 46 | 58.2 Ų | 58.2 | 20% | 0.2 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.4 | -35.2 | 175.4 | -179.4 | 168 | 178.9 | 165.4 | 0 | 112.6 | L1953 N1954 R1955 R1961 D1969 L2216 | L1953-K1957 WeakPolarHBondContact O-CB 3.24Å; L1953-K1957 PolarHBondContact O-N 3.22Å; N1954-K1957 PolarHBondContact O-N 3.49Å; R1955-K1957 PolarHBondContact O-N 3.38Å; K1957-R1961 WeakPolarHBondContact O-CG 3.22Å; K1957-R1961 PolarHBondContact O-N 3.28Å; K1957-D1969 VanDerWaalsContact CE-OD1 3.24Å; K1957-D1969 WeakPolarHBondContact CE-OD1 2.88Å; K1957-D1969 IonicContact NZ-OD1 3.38Å; K1957-D1969 PolarHBondContact NZ-OD1 2.94Å; K1957-D1969 IonicContact NZ-OD2 2.75Å; K1957-L2216 HydrophobicContact CD-CD1 4.21Å; K1957-L2216 HydrophobicContact CD-CD2 4.06Å |
| 1958 | N | 77 | Confident | 73.8 | Confident | 79 Ų | 79 | 61.4 Ų | 61.4 | 42% | 0.422 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.4 | -41.9 | 173.4 | -69.8 | -20.3 | 0 | 0 | 0 | 111.8 | N1954 R1955 M1956 R1961 E1962 | N1954-N1958 PolarHBondContact O-N 2.87Å; N1954-N1958 VanDerWaalsContact O-N 3.11Å; R1955-N1958 PolarHBondContact O-N 3.43Å; M1956-N1958 VanDerWaalsContact C-N 3.28Å; M1956-N1958 PolarHBondContact O-N 3.49Å; N1958-R1961 WeakPolarHBondContact O-CB 3.46Å; N1958-R1961 PolarHBondContact O-N 3.45Å; N1958-E1962 PolarHBondContact O-N 3.01Å |
| 1959 | V | 75.4 | Confident | 72.8 | Confident | 29 Ų | 29 | 61.7 Ų | 61.7 | 18% | 0.176 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.8 | -48 | 173 | 165.9 | 0 | 0 | 0 | 0 | 111.7 | F1895 T1898 R1955 M1956 R1961 E1962 S1963 | F1895-V1959 HydrophobicContact CD1-CG2 4.22Å; T1898-V1959 HydrophobicContact CG2-CB 4.41Å; T1898-V1959 HydrophobicContact CG2-CG1 3.46Å; T1898-V1959 VanDerWaalsContact CG2-CG1 3.46Å; T1898-V1959 HydrophobicContact CG2-CG2 4.13Å; R1955-V1959 PolarHBondContact O-N 3.43Å; M1956-V1959 PolarHBondContact O-N 2.88Å; V1959-R1961 PolarHBondContact O-N 3.03Å; V1959-E1962 WeakPolarHBondContact O-CB 3.42Å; V1959-E1962 PolarHBondContact O-N 2.72Å; V1959-S1963 PolarHBondContact O-N 3.43Å |
| 1960 | A | 68.7 | Low | 72.1 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 3% | 0.033 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.8 | -21.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | M1956 S1963 G1964 | M1956-A1960 WeakPolarHBondContact O-CB 3.44Å; M1956-A1960 PolarHBondContact O-N 2.82Å; A1960-S1963 WeakPolarHBondContact CA-OG 3.31Å; A1960-S1963 PolarHBondContact O-OG 2.99Å; A1960-G1964 PolarHBondContact O-N 3.35Å; A1960-G1964 VanDerWaalsContact O-N 3.12Å |
| 1961 | R | 65.8 | Low | 71.9 | Confident | 159 Ų | 159 | 61.3 Ų | 61.3 | 60% | 0.6 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -72.8 | -30.5 | 171.7 | -87.4 | 177.5 | 161.8 | -172.3 | -6.3 | 113 | K1957 N1958 V1959 | K1957-R1961 WeakPolarHBondContact O-CG 3.22Å; K1957-R1961 PolarHBondContact O-N 3.28Å; N1958-R1961 WeakPolarHBondContact O-CB 3.46Å; N1958-R1961 PolarHBondContact O-N 3.45Å; V1959-R1961 PolarHBondContact O-N 3.03Å |
| 1962 | E | 62.1 | Low | 71.6 | Confident | 168 Ų | 168 | 59.2 Ų | 59.2 | 79% | 0.785 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -76.2 | -30.4 | 176.5 | -64.9 | 177.9 | 173.8 | 0 | 0 | 111.5 | N1958 V1959 | N1958-E1962 PolarHBondContact O-N 3.01Å; V1959-E1962 WeakPolarHBondContact O-CB 3.42Å; V1959-E1962 PolarHBondContact O-N 2.72Å |
| 1963 | S | 59.9 | Low | 71.4 | Confident | 65 Ų | 65 | 59.8 Ų | 59.8 | 46% | 0.455 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -85.6 | -18 | 175.8 | 54.8 | 0 | 0 | 0 | 0 | 114.9 | D1901 V1959 A1960 | D1901-S1963 WeakPolarHBondContact OD1-CB 3.43Å; D1901-S1963 PolarHBondContact OD1-OG 3.48Å; D1901-S1963 PolarHBondContact OD2-OG 3.26Å; V1959-S1963 PolarHBondContact O-N 3.43Å; A1960-S1963 WeakPolarHBondContact CA-OG 3.31Å; A1960-S1963 PolarHBondContact O-OG 2.99Å |
| 1964 | G | 57 | Low | 71.4 | Confident | 58 Ų | 58 | 62.4 Ų | 62.4 | 60% | 0.598 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | 12.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | A1960 | A1960-G1964 PolarHBondContact O-N 3.35Å; A1960-G1964 VanDerWaalsContact O-N 3.12Å |
| 1965 | G | 56.4 | Low | 71.6 | Confident | 18 Ų | 18 | 61.4 Ų | 61.4 | 19% | 0.186 | 33% | 0.332 | C | S | . | . | trans | -64.4 | 157.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1967 Q1968 | G1965-S1967 VanDerWaalsContact C-N 3.34Å; G1965-Q1968 WeakPolarHBondContact O-CG 3.29Å; G1965-Q1968 PolarHBondContact O-NE2 3.2Å | ||
| 1966 | L | 49.9 | Very low | 71.9 | Confident | 188 Ų | 188 | 55.9 Ų | 55.9 | 98% | 0.984 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -12.2 | 175.5 | -77 | 166.3 | 0 | 0 | 0 | 113.6 | Q1968 | L1966-Q1968 VanDerWaalsContact C-N 3.33Å; L1966-Q1968 PolarHBondContact O-N 3.26Å |
| 1967 | S | 59.5 | Low | 72.2 | Confident | 38 Ų | 38 | 56.2 Ų | 56.2 | 27% | 0.266 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 19 | -174.1 | 51.8 | 0 | 0 | 0 | 0 | 114.5 | G1965 D1969 T1970 L1971 | G1965-S1967 VanDerWaalsContact C-N 3.34Å; S1967-D1969 PolarHBondContact O-N 3.41Å; S1967-T1970 PolarHBondContact O-N 2.85Å; S1967-L1971 WeakPolarHBondContact O-CB 3.44Å; S1967-L1971 PolarHBondContact O-N 3.11Å |
| 1968 | Q | 62.1 | Low | 72.5 | Confident | 66 Ų | 66 | 54.3 Ų | 54.3 | 31% | 0.308 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -32.8 | -168.2 | -51.7 | -173 | 4.9 | 0 | 0 | 114.9 | G1965 L1966 | G1965-Q1968 WeakPolarHBondContact O-CG 3.29Å; G1965-Q1968 PolarHBondContact O-NE2 3.2Å; L1966-Q1968 VanDerWaalsContact C-N 3.33Å; L1966-Q1968 PolarHBondContact O-N 3.26Å |
| 1969 | D | 67.9 | Low | 73.2 | Confident | 82 Ų | 82 | 50.6 Ų | 50.6 | 44% | 0.439 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -9.7 | -177.2 | -76.8 | -35.2 | 0 | 0 | 0 | 114.4 | K1957 S1967 | K1957-D1969 VanDerWaalsContact CE-OD1 3.24Å; K1957-D1969 WeakPolarHBondContact CE-OD1 2.88Å; K1957-D1969 IonicContact NZ-OD1 3.38Å; K1957-D1969 PolarHBondContact NZ-OD1 2.94Å; K1957-D1969 IonicContact NZ-OD2 2.75Å; S1967-D1969 PolarHBondContact O-N 3.41Å |
| 1970 | T | 75.7 | Confident | 73.9 | Confident | 56 Ų | 56 | 49.2 Ų | 49.2 | 34% | 0.344 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | -37.6 | -177.6 | 74.1 | 0 | 0 | 0 | 0 | 113.1 | S1967 G1972 G1973 D1974 F2209 | S1967-T1970 PolarHBondContact O-N 2.85Å; T1970-G1972 VanDerWaalsContact C-N 3.3Å; T1970-G1972 PolarHBondContact O-N 2.91Å; T1970-G1972 VanDerWaalsContact O-N 3.12Å; T1970-G1973 CarbonylContact O-C 3.56Å; T1970-G1973 WeakPolarHBondContact O-CA 3.46Å; T1970-G1973 PolarHBondContact O-N 3.14Å; T1970-D1974 VanDerWaalsContact CB-OD2 3.29Å; T1970-D1974 WeakPolarHBondContact CB-OD2 3.46Å; T1970-D1974 PolarHBondContact O-N 2.78Å; T1970-D1974 PolarHBondContact OG1-OD2 3.06Å; T1970-D1974 VanDerWaalsContact OG1-OD2 3.11Å; T1970-F2209 HydrophobicContact CG2-CE2 4.47Å |
| 1971 | L | 80.2 | Confident | 74.9 | Confident | 14 Ų | 14 | 50.9 Ų | 50.9 | 7% | 0.073 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -50.3 | -46 | -171.4 | 179.8 | 64.7 | 0 | 0 | 0 | 113.1 | D1901 M1905 M1956 S1967 G1973 D1974 L1975 | D1901-L1971 HydrophobicContact CB-CD2 4.24Å; M1905-L1971 HydrophobicContact CG-CD1 4.06Å; M1956-L1971 HydrophobicContact CE-CD2 4.36Å; M1956-L1971 HydrophobicContact CE-CG 4.34Å; S1967-L1971 WeakPolarHBondContact O-CB 3.44Å; S1967-L1971 PolarHBondContact O-N 3.11Å; L1971-G1973 VanDerWaalsContact C-N 3.34Å; L1971-G1973 PolarHBondContact O-N 2.82Å; L1971-D1974 PolarHBondContact O-N 3.48Å; L1971-L1975 WeakPolarHBondContact O-CB 3.33Å; L1971-L1975 PolarHBondContact O-N 3.42Å |
| 1972 | G | 81.9 | Confident | 76 | Confident | 10 Ų | 10 | 43.4 Ų | 43.4 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.3 | -33.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1953 T1970 K1976 | L1953-G1972 VanDerWaalsContact CD2-O 3.26Å; L1953-G1972 WeakPolarHBondContact CD2-O 3.07Å; T1970-G1972 VanDerWaalsContact C-N 3.3Å; T1970-G1972 PolarHBondContact O-N 2.91Å; T1970-G1972 VanDerWaalsContact O-N 3.12Å; G1972-K1976 PolarHBondContact O-N 3.14Å |
| 1973 | G | 84 | Confident | 77.4 | Confident | 14 Ų | 14 | 35.4 Ų | 35.4 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.8 | -47.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1970 L1971 L1975 K1976 I1977 | T1970-G1973 CarbonylContact O-C 3.56Å; T1970-G1973 WeakPolarHBondContact O-CA 3.46Å; T1970-G1973 PolarHBondContact O-N 3.14Å; L1971-G1973 VanDerWaalsContact C-N 3.34Å; L1971-G1973 PolarHBondContact O-N 2.82Å; G1973-L1975 VanDerWaalsContact C-N 3.28Å; G1973-L1975 PolarHBondContact O-N 2.85Å; G1973-K1976 PolarHBondContact O-N 2.63Å; G1973-K1976 VanDerWaalsContact O-N 3.14Å; G1973-I1977 WeakPolarHBondContact O-CG1 3.26Å; G1973-I1977 PolarHBondContact O-N 3.19Å |
| 1974 | D | 85.4 | Confident | 78.7 | Confident | 67 Ų | 67 | 32.3 Ų | 32.3 | 36% | 0.358 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.7 | -39.9 | 176.6 | -64.5 | -42.2 | 0 | 0 | 0 | 111.4 | M1905 T1970 L1971 I1977 G1978 | M1905-D1974 HydrophobicContact CE-CB 4.32Å; M1905-D1974 HydrophobicContact SD-CB 4.38Å; T1970-D1974 VanDerWaalsContact CB-OD2 3.29Å; T1970-D1974 WeakPolarHBondContact CB-OD2 3.46Å; T1970-D1974 PolarHBondContact O-N 2.78Å; T1970-D1974 PolarHBondContact OG1-OD2 3.06Å; T1970-D1974 VanDerWaalsContact OG1-OD2 3.11Å; L1971-D1974 PolarHBondContact O-N 3.48Å; D1974-I1977 PolarHBondContact O-N 3.46Å; D1974-G1978 PolarHBondContact O-N 2.97Å |
| 1975 | L | 88.5 | Confident | 80 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.2 | -45.9 | 173.1 | -175.4 | 93.3 | 0 | 0 | 0 | 112.1 | F1889 L1893 Y1904 I1908 F1946 M1956 L1971 G1973 I1977 G1978 L1979 | F1889-L1975 HydrophobicContact CE2-CD1 3.93Å; F1889-L1975 HydrophobicContact CZ-CD1 4.09Å; L1893-L1975 HydrophobicContact CD2-CD1 4.45Å; L1893-L1975 HydrophobicContact CD2-CD2 3.63Å; L1893-L1975 HydrophobicContact CD2-CG 4.45Å; Y1904-L1975 HydrophobicContact CD1-CD1 4.3Å; Y1904-L1975 HydrophobicContact CG-CD1 4.49Å; I1908-L1975 HydrophobicContact CD1-CD1 3.54Å; I1908-L1975 HydrophobicContact CD1-CG 4.05Å; I1908-L1975 HydrophobicContact CG1-CD1 4.47Å; F1946-L1975 HydrophobicContact CE1-CD2 3.51Å; F1946-L1975 HydrophobicContact CE1-CG 4.41Å; F1946-L1975 HydrophobicContact CE2-CD2 4.46Å; F1946-L1975 HydrophobicContact CZ-CD2 3.34Å; M1956-L1975 HydrophobicContact CE-CD2 3.76Å; M1956-L1975 HydrophobicContact SD-CD2 3.39Å; M1956-L1975 WeakPolarHBondContact SD-CD2 3.48Å; L1971-L1975 WeakPolarHBondContact O-CB 3.33Å; L1971-L1975 PolarHBondContact O-N 3.42Å; G1973-L1975 VanDerWaalsContact C-N 3.28Å; G1973-L1975 PolarHBondContact O-N 2.85Å; L1975-I1977 VanDerWaalsContact C-N 3.32Å; L1975-I1977 PolarHBondContact O-N 3.36Å; L1975-G1978 PolarHBondContact O-N 3Å; L1975-L1979 HydrophobicContact CD2-CD1 4.41Å; L1975-L1979 HydrophobicContact CG-CD1 4.21Å; L1975-L1979 WeakPolarHBondContact O-CB 3.25Å; L1975-L1979 WeakPolarHBondContact O-CG 3.37Å; L1975-L1979 PolarHBondContact O-N 2.88Å |
| 1976 | K | 90.5 | Very high | 81.4 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60 | -41.4 | 173.8 | -81.3 | -158.5 | 176.1 | -165.5 | 0 | 111.4 | F1946 L1947 D1949 L1953 G1972 G1973 A1980 W2031 E2215 | F1946-K1976 HydrophobicContact CD1-CG 4.48Å; F1946-K1976 HydrophobicContact CE1-CG 4.13Å; F1946-K1976 WeakPolarHBondContact O-CE 3.43Å; L1947-K1976 HydrophobicContact CD2-CB 3.94Å; L1947-K1976 HydrophobicContact CD2-CD 4.37Å; L1947-K1976 HydrophobicContact CD2-CG 4.03Å; L1947-K1976 VanDerWaalsContact CD2-O 3.29Å; L1947-K1976 WeakPolarHBondContact CD2-O 3.37Å; L1947-K1976 PolarHBondContact O-NZ 2.82Å; D1949-K1976 PolarHBondContact O-NZ 2.85Å; L1953-K1976 HydrophobicContact CD2-CD 4.12Å; L1953-K1976 HydrophobicContact CD2-CG 4.22Å; L1953-K1976 HydrophobicContact CG-CD 4.46Å; G1972-K1976 PolarHBondContact O-N 3.14Å; G1973-K1976 PolarHBondContact O-N 2.63Å; G1973-K1976 VanDerWaalsContact O-N 3.14Å; K1976-A1980 WeakPolarHBondContact O-CB 3.09Å; K1976-A1980 PolarHBondContact O-N 2.92Å; K1976-W2031 HydrophobicContact CB-CD2 4.4Å; K1976-W2031 HydrophobicContact CB-CE3 4.09Å; K1976-W2031 HydrophobicContact CB-CH2 4.16Å; K1976-W2031 HydrophobicContact CB-CZ2 4.45Å; K1976-W2031 HydrophobicContact CB-CZ3 3.97Å; K1976-W2031 HydrophobicContact CD-CD2 4.24Å; K1976-W2031 HydrophobicContact CD-CH2 4.32Å; K1976-W2031 HydrophobicContact CD-CZ2 3.79Å; K1976-E2215 IonicContact NZ-OE2 3.11Å; K1976-E2215 PolarHBondContact NZ-OE2 3.29Å |
| 1977 | I | 88.4 | Confident | 83.2 | Confident | 20 Ų | 20 | 21.9 Ų | 21.9 | 10% | 0.103 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.1 | -48.4 | 175.4 | -64.9 | 166 | 0 | 0 | 0 | 110.4 | G1973 D1974 L1975 A1980 K1981 W2031 I2034 | G1973-I1977 WeakPolarHBondContact O-CG1 3.26Å; G1973-I1977 PolarHBondContact O-N 3.19Å; D1974-I1977 PolarHBondContact O-N 3.46Å; L1975-I1977 VanDerWaalsContact C-N 3.32Å; L1975-I1977 PolarHBondContact O-N 3.36Å; I1977-A1980 PolarHBondContact O-N 3.42Å; I1977-K1981 WeakPolarHBondContact O-CG 3.27Å; I1977-K1981 PolarHBondContact O-N 2.88Å; I1977-W2031 HydrophobicContact CG1-CZ3 3.95Å; I1977-I2034 HydrophobicContact CG1-CG2 4.23Å; I1977-I2034 HydrophobicContact CG2-CG2 4.41Å |
| 1978 | G | 86.9 | Confident | 84.3 | Confident | 5 Ų | 5 | 21.4 Ų | 21.4 | 5% | 0.052 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.5 | -42.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1974 L1975 K1981 Y1982 | D1974-G1978 PolarHBondContact O-N 2.97Å; L1975-G1978 PolarHBondContact O-N 3Å; G1978-K1981 PolarHBondContact O-N 2.84Å; G1978-Y1982 PolarHBondContact O-N 3.41Å |
| 1979 | L | 91.1 | Very high | 85.4 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.7 | -43.2 | 171.2 | -75.6 | 173.1 | 0 | 0 | 0 | 111.3 | F1889 L1893 I1908 F1943 F1946 L1947 L1975 K1981 Y1982 V1983 | F1889-L1979 HydrophobicContact CE1-CD2 3.91Å; F1889-L1979 HydrophobicContact CZ-CD2 4.06Å; L1893-L1979 HydrophobicContact CD1-CD1 4.02Å; L1893-L1979 HydrophobicContact CD1-CD2 4.42Å; L1893-L1979 HydrophobicContact CD2-CD1 4.21Å; I1908-L1979 HydrophobicContact CD1-CG 4.16Å; F1943-L1979 HydrophobicContact CB-CD2 4.39Å; F1943-L1979 HydrophobicContact CD1-CD2 3.88Å; F1943-L1979 HydrophobicContact CD2-CD2 4.35Å; F1943-L1979 HydrophobicContact CE1-CD2 4.2Å; F1943-L1979 HydrophobicContact CG-CD2 3.96Å; F1946-L1979 HydrophobicContact CD1-CD1 3.52Å; F1946-L1979 HydrophobicContact CE1-CD1 3.74Å; F1946-L1979 HydrophobicContact CG-CD1 4.31Å; L1947-L1979 HydrophobicContact CD2-CB 4.35Å; L1975-L1979 HydrophobicContact CD2-CD1 4.41Å; L1975-L1979 HydrophobicContact CG-CD1 4.21Å; L1975-L1979 WeakPolarHBondContact O-CB 3.25Å; L1975-L1979 WeakPolarHBondContact O-CG 3.37Å; L1975-L1979 PolarHBondContact O-N 2.88Å; L1979-K1981 VanDerWaalsContact C-N 3.33Å; L1979-K1981 PolarHBondContact O-N 3.17Å; L1979-Y1982 WeakPolarHBondContact O-CB 3.2Å; L1979-Y1982 PolarHBondContact O-N 3.34Å; L1979-Y1982 VanDerWaalsContact O-N 3.15Å; L1979-V1983 WeakPolarHBondContact O-CG2 3.17Å; L1979-V1983 PolarHBondContact O-N 2.88Å |
| 1980 | A | 91.1 | Very high | 86 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.3 | -37.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1947 K1976 I1977 Y1982 V1983 A1984 W2031 G2035 | L1947-A1980 HydrophobicContact CD1-CB 4.13Å; L1947-A1980 HydrophobicContact CD2-CB 4.16Å; K1976-A1980 WeakPolarHBondContact O-CB 3.09Å; K1976-A1980 PolarHBondContact O-N 2.92Å; I1977-A1980 PolarHBondContact O-N 3.42Å; A1980-Y1982 PolarHBondContact O-N 2.92Å; A1980-V1983 PolarHBondContact O-N 3Å; A1980-A1984 WeakPolarHBondContact O-CB 3.26Å; A1980-A1984 PolarHBondContact O-N 2.85Å; A1980-W2031 VanDerWaalsContact CB-O 3.27Å; A1980-W2031 WeakPolarHBondContact CB-O 3.11Å; A1980-G2035 VanDerWaalsContact C-CA 3.48Å |
| 1981 | K | 89.6 | Confident | 86.1 | Confident | 39 Ų | 39 | 17.5 Ų | 17.5 | 17% | 0.17 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -55.3 | -50.7 | 171 | -69.9 | -167.7 | -173 | -147.7 | 0 | 110.9 | L1912 E1917 I1977 G1978 L1979 A1984 H1985 S2038 | L1912-K1981 HydrophobicContact CD1-CD 4.06Å; L1912-K1981 HydrophobicContact CD2-CB 3.97Å; L1912-K1981 HydrophobicContact CD2-CD 4.46Å; E1917-K1981 IonicContact OE2-NZ 3.56Å; E1917-K1981 PolarHBondContact OE2-NZ 3.15Å; I1977-K1981 WeakPolarHBondContact O-CG 3.27Å; I1977-K1981 PolarHBondContact O-N 2.88Å; G1978-K1981 PolarHBondContact O-N 2.84Å; L1979-K1981 VanDerWaalsContact C-N 3.33Å; L1979-K1981 PolarHBondContact O-N 3.17Å; K1981-A1984 PolarHBondContact O-N 2.82Å; K1981-H1985 WeakPolarHBondContact O-CB 3.31Å; K1981-H1985 PolarHBondContact O-N 3.16Å; K1981-S2038 WeakPolarHBondContact CE-O 3.32Å; K1981-S2038 PolarHBondContact NZ-O 3.4Å |
| 1982 | Y | 89.1 | Confident | 85.8 | Confident | 3 Ų | 3 | 21.2 Ų | 21.2 | 1% | 0.012 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.7 | -48.9 | 178.1 | 173.5 | -104.8 | 0 | 0 | 0 | 112.4 | I1911 F1915 V1933 A1936 R1937 L1940 F1943 G1978 L1979 A1980 A1984 H1985 E1986 | I1911-Y1982 HydrophobicContact CG2-CD2 3.13Å; I1911-Y1982 HydrophobicContact CG2-CE2 3.51Å; I1911-Y1982 HydrophobicContact CG2-CG 3.82Å; F1915-Y1982 AromaticContact CD2-CD2 3.74Å; F1915-Y1982 HydrophobicContact CD2-CD2 3.74Å; F1915-Y1982 HydrophobicContact CD2-CE2 4.04Å; F1915-Y1982 AromaticContact CE2-CD2 3.46Å; F1915-Y1982 HydrophobicContact CE2-CD2 3.46Å; F1915-Y1982 VanDerWaalsContact CE2-CD2 3.46Å; F1915-Y1982 AromaticContact CE2-CE2 3.51Å; F1915-Y1982 HydrophobicContact CE2-CE2 3.51Å; V1933-Y1982 HydrophobicContact CG1-CE2 4.26Å; V1933-Y1982 HydrophobicContact CG2-CE2 4.43Å; V1933-Y1982 PolarHBondContact O-OH 3.05Å; A1936-Y1982 VanDerWaalsContact C-OH 3.32Å; A1936-Y1982 HydrophobicContact CB-CE1 4.07Å; A1936-Y1982 HydrophobicContact CB-CE2 4.12Å; A1936-Y1982 WeakPolarHBondContact CB-OH 3.2Å; R1937-Y1982 WeakPolarHBondContact CA-OH 3.18Å; R1937-Y1982 PolarHBondContact N-OH 2.93Å; R1937-Y1982 VanDerWaalsContact N-OH 3.09Å; L1940-Y1982 HydrophobicContact CD1-CD1 4.37Å; L1940-Y1982 HydrophobicContact CD1-CE1 3.97Å; F1943-Y1982 AromaticContact CD2-CD1 3.85Å; F1943-Y1982 HydrophobicContact CD2-CD1 3.85Å; F1943-Y1982 AromaticContact CD2-CE1 3.81Å; F1943-Y1982 HydrophobicContact CD2-CE1 3.81Å; F1943-Y1982 HydrophobicContact CE2-CD1 4.03Å; F1943-Y1982 AromaticContact CE2-CE1 3.75Å; F1943-Y1982 HydrophobicContact CE2-CE1 3.75Å; G1978-Y1982 PolarHBondContact O-N 3.41Å; L1979-Y1982 WeakPolarHBondContact O-CB 3.2Å; L1979-Y1982 PolarHBondContact O-N 3.34Å; L1979-Y1982 VanDerWaalsContact O-N 3.15Å; A1980-Y1982 PolarHBondContact O-N 2.92Å; Y1982-A1984 PolarHBondContact O-N 3.22Å; Y1982-H1985 PolarHBondContact O-N 2.76Å; Y1982-E1986 PolarHBondContact O-N 3.05Å |
| 1983 | V | 90.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.6 | -47.3 | 179.8 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | L1940 F1943 I1944 L1947 L1979 A1980 H1985 E1986 I1987 I2032 | L1940-V1983 HydrophobicContact CD1-CB 4.36Å; L1940-V1983 HydrophobicContact CD1-CG1 4.42Å; L1940-V1983 HydrophobicContact CD1-CG2 3.88Å; F1943-V1983 HydrophobicContact CB-CG2 4.01Å; I1944-V1983 HydrophobicContact CD1-CG1 4.33Å; I1944-V1983 HydrophobicContact CG1-CG1 3.85Å; I1944-V1983 HydrophobicContact CG1-CG2 4.4Å; L1947-V1983 HydrophobicContact CD1-CB 4.33Å; L1947-V1983 HydrophobicContact CD1-CG2 4.02Å; L1979-V1983 WeakPolarHBondContact O-CG2 3.17Å; L1979-V1983 PolarHBondContact O-N 2.88Å; A1980-V1983 PolarHBondContact O-N 3Å; V1983-H1985 VanDerWaalsContact C-N 3.34Å; V1983-H1985 PolarHBondContact O-N 3.19Å; V1983-E1986 PolarHBondContact O-N 3.4Å; V1983-I1987 HydrophobicContact CG1-CD1 3.64Å; V1983-I1987 HydrophobicContact CG1-CG1 4.39Å; V1983-I1987 WeakPolarHBondContact O-CB 3.17Å; V1983-I1987 WeakPolarHBondContact O-CG1 3.41Å; V1983-I1987 PolarHBondContact O-N 3.48Å; V1983-I2032 HydrophobicContact CG1-CG1 4.45Å |
| 1984 | A | 87.3 | Confident | 85.1 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60 | -43.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | A1980 K1981 Y1982 I1987 C1988 S2045 A2047 | A1980-A1984 WeakPolarHBondContact O-CB 3.26Å; A1980-A1984 PolarHBondContact O-N 2.85Å; K1981-A1984 PolarHBondContact O-N 2.82Å; Y1982-A1984 PolarHBondContact O-N 3.22Å; A1984-I1987 PolarHBondContact O-N 2.84Å; A1984-C1988 WeakPolarHBondContact O-CB 3.38Å; A1984-C1988 PolarHBondContact O-N 3.48Å; A1984-S2045 PolarHBondContact O-OG 3.41Å; A1984-A2047 HydrophobicContact CB-CB 3.81Å; A1984-A2047 VanDerWaalsContact O-CB 3.32Å; A1984-A2047 WeakPolarHBondContact O-CB 3.37Å |
| 1985 | H | 84.8 | Confident | 84.4 | Confident | 40 Ų | 40 | 32.8 Ų | 32.8 | 19% | 0.185 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.3 | -42.3 | -179.4 | -150.1 | 115.8 | 0 | 0 | 0 | 112.4 | F1915 K1981 Y1982 V1983 C1988 R1989 S2045 | F1915-H1985 AromaticContact CD1-CD2 3.41Å; F1915-H1985 VanDerWaalsContact CD1-CD2 3.41Å; F1915-H1985 WeakPolarHBondContact CD1-CD2 3.46Å; F1915-H1985 AromaticContact CD1-CG 3.95Å; F1915-H1985 AromaticContact CD1-NE2 3.66Å; F1915-H1985 HydrophobicContact CD2-CB 4.32Å; F1915-H1985 HydrophobicContact CE1-CB 4.37Å; F1915-H1985 AromaticContact CE1-CD2 3.13Å; F1915-H1985 WeakPolarHBondContact CE1-CD2 3.12Å; F1915-H1985 AromaticContact CE1-CG 3.88Å; F1915-H1985 AromaticContact CE1-NE2 3.75Å; F1915-H1985 HydrophobicContact CE2-CB 3.98Å; F1915-H1985 HydrophobicContact CZ-CB 4.03Å; F1915-H1985 AromaticContact CZ-CD2 3.63Å; K1981-H1985 WeakPolarHBondContact O-CB 3.31Å; K1981-H1985 PolarHBondContact O-N 3.16Å; Y1982-H1985 PolarHBondContact O-N 2.76Å; V1983-H1985 VanDerWaalsContact C-N 3.34Å; V1983-H1985 PolarHBondContact O-N 3.19Å; H1985-C1988 PolarHBondContact O-N 3.42Å; H1985-R1989 WeakPolarHBondContact O-CB 3.34Å; H1985-R1989 PolarHBondContact O-N 3Å; H1985-S2045 WeakPolarHBondContact CA-OG 3.49Å |
| 1986 | E | 86.1 | Confident | 84 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.019 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70 | -34.4 | 177.2 | -173.8 | 61.8 | -171.5 | 0 | 0 | 112.1 | F1915 R1937 L1940 Y1982 V1983 R1989 S1990 | F1915-E1986 HydrophobicContact CZ-CB 4.35Å; R1937-E1986 WeakPolarHBondContact CD-OE1 3.47Å; R1937-E1986 IonicContact CZ-OE1 3.87Å; R1937-E1986 IonicContact NE-OE1 3.57Å; R1937-E1986 PolarHBondContact NE-OE1 3.29Å; R1937-E1986 IonicContact NH2-OE1 3.28Å; R1937-E1986 IonicContact NH2-OE2 3.8Å; L1940-E1986 HydrophobicContact CD2-CB 4.46Å; L1940-E1986 HydrophobicContact CD2-CG 3.79Å; Y1982-E1986 PolarHBondContact O-N 3.05Å; V1983-E1986 PolarHBondContact O-N 3.4Å; E1986-R1989 PolarHBondContact O-N 3.24Å; E1986-R1989 IonicContact OE1-CZ 3.76Å; E1986-R1989 IonicContact OE1-NE 3.73Å; E1986-R1989 IonicContact OE1-NH2 2.72Å; E1986-R1989 PolarHBondContact OE1-NH2 3.39Å; E1986-R1989 IonicContact OE2-CZ 3.72Å; E1986-R1989 IonicContact OE2-NE 2.77Å; E1986-R1989 PolarHBondContact OE2-NE 3.39Å; E1986-R1989 IonicContact OE2-NH2 2.77Å; E1986-R1989 PolarHBondContact OE2-NH2 3Å; E1986-S1990 PolarHBondContact O-N 3.3Å; E1986-S1990 VanDerWaalsContact O-N 3.1Å |
| 1987 | I | 86.5 | Confident | 83.6 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.8 | -49 | 170.7 | -68.2 | 169.7 | 0 | 0 | 0 | 110.4 | V1983 A1984 R1989 S1990 I1991 Y2001 A2047 | V1983-I1987 HydrophobicContact CG1-CD1 3.64Å; V1983-I1987 HydrophobicContact CG1-CG1 4.39Å; V1983-I1987 WeakPolarHBondContact O-CB 3.17Å; V1983-I1987 WeakPolarHBondContact O-CG1 3.41Å; V1983-I1987 PolarHBondContact O-N 3.48Å; A1984-I1987 PolarHBondContact O-N 2.84Å; I1987-R1989 VanDerWaalsContact C-N 3.32Å; I1987-R1989 PolarHBondContact O-N 2.78Å; I1987-S1990 WeakPolarHBondContact O-CA 3.46Å; I1987-S1990 WeakPolarHBondContact O-CB 3.44Å; I1987-S1990 PolarHBondContact O-N 2.68Å; I1987-S1990 PolarHBondContact O-OG 2.94Å; I1987-I1991 HydrophobicContact CG2-CD1 3.56Å; I1987-I1991 HydrophobicContact CG2-CG1 4.23Å; I1987-I1991 WeakPolarHBondContact O-CG1 3.32Å; I1987-I1991 PolarHBondContact O-N 3.29Å; I1987-Y2001 HydrophobicContact CG1-CD2 4.09Å; I1987-Y2001 HydrophobicContact CG1-CG 4.09Å; I1987-A2047 HydrophobicContact CB-CB 4.46Å; I1987-A2047 HydrophobicContact CG2-CB 4.38Å; I1987-A2047 WeakPolarHBondContact CG2-O 3.45Å |
| 1988 | C | 83.9 | Confident | 83.4 | Confident | 27 Ų | 27 | 41 Ų | 41 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.9 | -42.9 | 175.5 | 176.6 | 0 | 0 | 0 | 0 | 112.4 | A1984 H1985 S1990 I1991 S1992 S2045 M2046 | A1984-C1988 WeakPolarHBondContact O-CB 3.38Å; A1984-C1988 PolarHBondContact O-N 3.48Å; H1985-C1988 PolarHBondContact O-N 3.42Å; C1988-S1990 PolarHBondContact O-N 2.89Å; C1988-I1991 PolarHBondContact O-N 2.69Å; C1988-S1992 WeakPolarHBondContact O-CB 3.22Å; C1988-S1992 PolarHBondContact O-N 2.84Å; C1988-S1992 PolarHBondContact O-OG 3.13Å; C1988-S2045 WeakPolarHBondContact CB-OG 3.41Å; C1988-M2046 PolarHBondContact SG-N 2.69Å; C1988-M2046 VanDerWaalsContact SG-N 3.38Å |
| 1989 | R | 83.7 | Confident | 83.3 | Confident | 83 Ų | 83 | 43.8 Ų | 43.8 | 31% | 0.313 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.3 | -25.7 | 175.4 | -160.1 | -178.2 | 73.1 | 97 | 16.8 | 113.3 | R1937 H1985 E1986 I1987 S1992 | R1937-R1989 VanDerWaalsContact CZ-NH2 3.3Å; R1937-R1989 VanDerWaalsContact NE-NH2 3.18Å; H1985-R1989 WeakPolarHBondContact O-CB 3.34Å; H1985-R1989 PolarHBondContact O-N 3Å; E1986-R1989 PolarHBondContact O-N 3.24Å; E1986-R1989 IonicContact OE1-CZ 3.76Å; E1986-R1989 IonicContact OE1-NE 3.73Å; E1986-R1989 IonicContact OE1-NH2 2.72Å; E1986-R1989 PolarHBondContact OE1-NH2 3.39Å; E1986-R1989 IonicContact OE2-CZ 3.72Å; E1986-R1989 IonicContact OE2-NE 2.77Å; E1986-R1989 PolarHBondContact OE2-NE 3.39Å; E1986-R1989 IonicContact OE2-NH2 2.77Å; E1986-R1989 PolarHBondContact OE2-NH2 3Å; I1987-R1989 VanDerWaalsContact C-N 3.32Å; I1987-R1989 PolarHBondContact O-N 2.78Å; R1989-S1992 WeakPolarHBondContact CA-OG 3.5Å; R1989-S1992 PolarHBondContact O-OG 3.1Å |
| 1990 | S | 80.7 | Confident | 83 | Confident | 17 Ų | 17 | 51.5 Ų | 51.5 | 12% | 0.119 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -81.7 | -42.1 | 171.9 | 81.7 | 0 | 0 | 0 | 0 | 112.8 | E1986 I1987 C1988 R1993 D1994 A1997 Y2001 | E1986-S1990 PolarHBondContact O-N 3.3Å; E1986-S1990 VanDerWaalsContact O-N 3.1Å; I1987-S1990 WeakPolarHBondContact O-CA 3.46Å; I1987-S1990 WeakPolarHBondContact O-CB 3.44Å; I1987-S1990 PolarHBondContact O-N 2.68Å; I1987-S1990 PolarHBondContact O-OG 2.94Å; C1988-S1990 PolarHBondContact O-N 2.89Å; S1990-R1993 WeakPolarHBondContact O-CB 3.28Å; S1990-R1993 PolarHBondContact O-N 3.02Å; S1990-R1993 VanDerWaalsContact O-N 3.09Å; S1990-D1994 PolarHBondContact O-N 3.09Å; S1990-A1997 WeakPolarHBondContact OG-CB 3.25Å; S1990-Y2001 VanDerWaalsContact OG-CE2 3.3Å; S1990-Y2001 WeakPolarHBondContact OG-CE2 3.37Å |
| 1991 | I | 79.3 | Confident | 82.8 | Confident | 22 Ų | 22 | 53.7 Ų | 53.7 | 11% | 0.113 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.2 | -41.4 | -177.5 | -73.3 | 168.8 | 0 | 0 | 0 | 111.5 | I1987 C1988 R1993 D1994 S1995 I1998 A2047 P2049 | I1987-I1991 HydrophobicContact CG2-CD1 3.56Å; I1987-I1991 HydrophobicContact CG2-CG1 4.23Å; I1987-I1991 WeakPolarHBondContact O-CG1 3.32Å; I1987-I1991 PolarHBondContact O-N 3.29Å; C1988-I1991 PolarHBondContact O-N 2.69Å; I1991-R1993 PolarHBondContact O-N 3.31Å; I1991-D1994 WeakPolarHBondContact CA-O 3.4Å; I1991-D1994 CarbonylContact O-C 3.58Å; I1991-D1994 VanDerWaalsContact O-C 3.25Å; I1991-D1994 PolarHBondContact O-N 3.02Å; I1991-D1994 VanDerWaalsContact O-N 3.15Å; I1991-S1995 PolarHBondContact O-N 2.96Å; I1991-I1998 HydrophobicContact CD1-CB 4.07Å; I1991-I1998 HydrophobicContact CD1-CD1 4.33Å; I1991-I1998 HydrophobicContact CG1-CB 4.25Å; I1991-A2047 WeakPolarHBondContact CD1-O 3.26Å; I1991-P2049 HydrophobicContact CD1-CG 4.23Å; I1991-P2049 HydrophobicContact CG2-CG 4.17Å |
| 1992 | S | 73.2 | Confident | 82.7 | Confident | 92 Ų | 92 | 51.9 Ų | 51.9 | 64% | 0.643 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -14 | 173.7 | 48.7 | 0 | 0 | 0 | 0 | 114.2 | C1988 R1989 | C1988-S1992 WeakPolarHBondContact O-CB 3.22Å; C1988-S1992 PolarHBondContact O-N 2.84Å; C1988-S1992 PolarHBondContact O-OG 3.13Å; R1989-S1992 WeakPolarHBondContact CA-OG 3.5Å; R1989-S1992 PolarHBondContact O-OG 3.1Å |
| 1993 | R | 75.3 | Confident | 82.6 | Confident | 209 Ų | 209 | 55.1 Ų | 55.1 | 79% | 0.789 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -38.7 | 171.3 | -61.7 | -178.5 | 174.8 | -159.1 | -3.7 | 113.1 | S1990 I1991 | S1990-R1993 WeakPolarHBondContact O-CB 3.28Å; S1990-R1993 PolarHBondContact O-N 3.02Å; S1990-R1993 VanDerWaalsContact O-N 3.09Å; I1991-R1993 PolarHBondContact O-N 3.31Å |
| 1994 | D | 75.6 | Confident | 82.5 | Confident | 53 Ų | 53 | 56.9 Ų | 56.9 | 28% | 0.283 | 27% | 0.265 | S | S | . | . | trans | -150.2 | 110.9 | -179.6 | 170.6 | 15.4 | 0 | 0 | 0 | 108.8 | S1990 I1991 R1996 A1997 R2000 | S1990-D1994 PolarHBondContact O-N 3.09Å; I1991-D1994 WeakPolarHBondContact CA-O 3.4Å; I1991-D1994 CarbonylContact O-C 3.58Å; I1991-D1994 VanDerWaalsContact O-C 3.25Å; I1991-D1994 PolarHBondContact O-N 3.02Å; I1991-D1994 VanDerWaalsContact O-N 3.15Å; D1994-R1996 PolarHBondContact O-N 2.86Å; D1994-R1996 VanDerWaalsContact O-N 3.07Å; D1994-R1996 VanDerWaalsContact OD1-CB 3.29Å; D1994-R1996 WeakPolarHBondContact OD1-CB 3.05Å; D1994-R1996 PolarHBondContact OD1-N 2.61Å; D1994-A1997 HydrophobicContact CB-CB 4.32Å; D1994-A1997 WeakPolarHBondContact O-CB 3.24Å; D1994-A1997 PolarHBondContact O-N 3.06Å; D1994-R2000 IonicContact OD2-CZ 2.72Å; D1994-R2000 IonicContact OD2-NH2 3.01Å; D1994-R2000 PolarHBondContact OD2-NH2 2.94Å | ||
| 1995 | S | 71.6 | Confident | 82.5 | Confident | 73 Ų | 73 | 56.9 Ų | 56.9 | 51% | 0.51 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -63.1 | -17.7 | -179.3 | 61.4 | 0 | 0 | 0 | 0 | 113.5 | I1991 A1997 I1998 | I1991-S1995 PolarHBondContact O-N 2.96Å; S1995-A1997 VanDerWaalsContact C-N 3.29Å; S1995-I1998 WeakPolarHBondContact O-CG2 3.44Å |
| 1996 | R | 80 | Confident | 82.4 | Confident | 188 Ų | 188 | 58.2 Ų | 58.2 | 71% | 0.709 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -81.3 | -8.1 | 173.2 | -51 | 179.3 | -171.2 | 177.3 | 3.6 | 112.6 | D1994 I1998 Y1999 | D1994-R1996 PolarHBondContact O-N 2.86Å; D1994-R1996 VanDerWaalsContact O-N 3.07Å; D1994-R1996 VanDerWaalsContact OD1-CB 3.29Å; D1994-R1996 WeakPolarHBondContact OD1-CB 3.05Å; D1994-R1996 PolarHBondContact OD1-N 2.61Å; R1996-I1998 PolarHBondContact O-N 2.7Å; R1996-Y1999 HydrophobicContact CB-CD2 4.2Å; R1996-Y1999 WeakPolarHBondContact O-CD2 3.47Å; R1996-Y1999 PolarHBondContact O-N 3.38Å; R1996-Y1999 VanDerWaalsContact O-N 3.16Å |
| 1997 | A | 82 | Confident | 82.2 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -60.5 | -28.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1990 D1994 S1995 Y1999 R2000 Y2001 | S1990-A1997 WeakPolarHBondContact OG-CB 3.25Å; D1994-A1997 HydrophobicContact CB-CB 4.32Å; D1994-A1997 WeakPolarHBondContact O-CB 3.24Å; D1994-A1997 PolarHBondContact O-N 3.06Å; S1995-A1997 VanDerWaalsContact C-N 3.29Å; A1997-Y1999 PolarHBondContact O-N 3.38Å; A1997-R2000 VanDerWaalsContact O-CB 3.28Å; A1997-R2000 WeakPolarHBondContact O-CB 3.47Å; A1997-R2000 WeakPolarHBondContact O-CG 3.37Å; A1997-R2000 PolarHBondContact O-N 2.79Å; A1997-Y2001 VanDerWaalsContact O-CD2 3.23Å; A1997-Y2001 WeakPolarHBondContact O-CD2 3.22Å |
| 1998 | I | 83.5 | Confident | 82 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -53.8 | -37.9 | 174.8 | -169.8 | 165.3 | 0 | 0 | 0 | 112.4 | I1991 S1995 R1996 R2000 Y2001 L2002 L2005 I2048 | I1991-I1998 HydrophobicContact CD1-CB 4.07Å; I1991-I1998 HydrophobicContact CD1-CD1 4.33Å; I1991-I1998 HydrophobicContact CG1-CB 4.25Å; S1995-I1998 WeakPolarHBondContact O-CG2 3.44Å; R1996-I1998 PolarHBondContact O-N 2.7Å; I1998-R2000 PolarHBondContact O-N 2.66Å; I1998-Y2001 PolarHBondContact O-N 3.15Å; I1998-L2002 HydrophobicContact CG1-CD1 4.37Å; I1998-L2002 PolarHBondContact O-N 2.87Å; I1998-L2005 HydrophobicContact CD1-CD2 3.68Å; I1998-L2005 HydrophobicContact CG1-CD2 4.2Å; I1998-I2048 HydrophobicContact CD1-CB 4.31Å; I1998-I2048 HydrophobicContact CD1-CG1 4.25Å; I1998-I2048 HydrophobicContact CD1-CG2 4.09Å |
| 1999 | Y | 84.6 | Confident | 81.8 | Confident | 63 Ų | 63 | 62.8 Ų | 62.8 | 25% | 0.247 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -73.9 | -5.5 | -179.9 | -49.5 | -62.3 | 0 | 0 | 0 | 113.6 | R1996 A1997 P2003 L2005 R2055 | R1996-Y1999 HydrophobicContact CB-CD2 4.2Å; R1996-Y1999 WeakPolarHBondContact O-CD2 3.47Å; R1996-Y1999 PolarHBondContact O-N 3.38Å; R1996-Y1999 VanDerWaalsContact O-N 3.16Å; A1997-Y1999 PolarHBondContact O-N 3.38Å; Y1999-P2003 VanDerWaalsContact O-CA 3.23Å; Y1999-P2003 WeakPolarHBondContact O-CA 3.49Å; Y1999-P2003 WeakPolarHBondContact O-CG 3.47Å; Y1999-L2005 HydrophobicContact CD1-CB 4.43Å; Y1999-L2005 HydrophobicContact CE1-CB 4.39Å; Y1999-L2005 HydrophobicContact CE1-CG 4.48Å; Y1999-R2055 PolarHBondContact OH-NH1 3.47Å |
| 2000 | R | 85.4 | Confident | 81.6 | Confident | 163 Ų | 163 | 61.2 Ų | 61.2 | 62% | 0.615 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -80.8 | -29.2 | 168.8 | -52.9 | -178.2 | -165.5 | -174.4 | 8.7 | 111.5 | M1941 D1994 A1997 I1998 | M1941-R2000 WeakPolarHBondContact CE-O 3.48Å; D1994-R2000 IonicContact OD2-CZ 2.72Å; D1994-R2000 IonicContact OD2-NH2 3.01Å; D1994-R2000 PolarHBondContact OD2-NH2 2.94Å; A1997-R2000 VanDerWaalsContact O-CB 3.28Å; A1997-R2000 WeakPolarHBondContact O-CB 3.47Å; A1997-R2000 WeakPolarHBondContact O-CG 3.37Å; A1997-R2000 PolarHBondContact O-N 2.79Å; I1998-R2000 PolarHBondContact O-N 2.66Å |
| 2001 | Y | 85.9 | Confident | 81.4 | Confident | 45 Ų | 45 | 63.7 Ų | 63.7 | 18% | 0.176 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -96.5 | -37.9 | 179.4 | -54.4 | -73.6 | 0 | 0 | 0 | 112.2 | L1940 M1941 I1944 I1987 S1990 A1997 I1998 | L1940-Y2001 HydrophobicContact CD2-CD1 3.89Å; L1940-Y2001 HydrophobicContact CD2-CE1 3.42Å; L1940-Y2001 VanDerWaalsContact CD2-CE1 3.42Å; L1940-Y2001 HydrophobicContact CG-CE1 4.48Å; M1941-Y2001 HydrophobicContact CE-CD1 3.85Å; M1941-Y2001 HydrophobicContact CE-CE1 4.36Å; I1944-Y2001 HydrophobicContact CD1-CD1 4.37Å; I1987-Y2001 HydrophobicContact CG1-CD2 4.09Å; I1987-Y2001 HydrophobicContact CG1-CG 4.09Å; S1990-Y2001 VanDerWaalsContact OG-CE2 3.3Å; S1990-Y2001 WeakPolarHBondContact OG-CE2 3.37Å; A1997-Y2001 VanDerWaalsContact O-CD2 3.23Å; A1997-Y2001 WeakPolarHBondContact O-CD2 3.22Å; I1998-Y2001 PolarHBondContact O-N 3.15Å |
| 2002 | L | 88.7 | Confident | 81.3 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | trans | -125.1 | 69.7 | 179.1 | -52.2 | 177.6 | 0 | 0 | 0 | 110.1 | I1998 W2004 L2005 L2028 L2029 I2032 | I1998-L2002 HydrophobicContact CG1-CD1 4.37Å; I1998-L2002 PolarHBondContact O-N 2.87Å; L2002-W2004 VanDerWaalsContact C-N 3.26Å; L2002-W2004 HydrophobicContact CB-CZ2 4.17Å; L2002-W2004 HydrophobicContact CD1-CZ2 4.47Å; L2002-W2004 HydrophobicContact CD2-CZ2 3.81Å; L2002-W2004 HydrophobicContact CG-CZ2 4.36Å; L2002-W2004 PolarHBondContact O-N 3.4Å; L2002-L2005 HydrophobicContact CB-CB 4.21Å; L2002-L2005 VanDerWaalsContact O-CB 3.32Å; L2002-L2005 WeakPolarHBondContact O-CB 3.31Å; L2002-L2005 PolarHBondContact O-N 2.77Å; L2002-L2005 VanDerWaalsContact O-N 3.08Å; L2002-L2028 HydrophobicContact CD2-CD2 4.05Å; L2002-L2029 HydrophobicContact CD1-CD2 4.41Å; L2002-I2032 HydrophobicContact CD1-CD1 3.99Å; L2002-I2032 HydrophobicContact CD2-CD1 4.01Å | ||
| 2003 | P | 85.9 | Confident | 81.5 | Confident | 72 Ų | 72 | 70.4 Ų | 70.4 | 47% | 0.468 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -60.2 | -36.6 | -173.3 | -21.4 | 32 | 0 | 0 | 0 | 113.1 | Y1999 L2005 S2006 | Y1999-P2003 VanDerWaalsContact O-CA 3.23Å; Y1999-P2003 WeakPolarHBondContact O-CA 3.49Å; Y1999-P2003 WeakPolarHBondContact O-CG 3.47Å; P2003-L2005 PolarHBondContact O-N 2.67Å; P2003-S2006 WeakPolarHBondContact O-CB 3Å; P2003-S2006 PolarHBondContact O-N 2.87Å; P2003-S2006 PolarHBondContact O-OG 2.93Å |
| 2004 | W | 88.4 | Confident | 81.9 | Confident | 37 Ų | 37 | 62.6 Ų | 62.6 | 14% | 0.14 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -61.4 | -22.7 | 178.5 | 50.7 | -103.5 | 0 | 0 | 0 | 113.6 | L2002 S2006 S2007 R2025 L2028 L2029 Y2059 | L2002-W2004 VanDerWaalsContact C-N 3.26Å; L2002-W2004 HydrophobicContact CB-CZ2 4.17Å; L2002-W2004 HydrophobicContact CD1-CZ2 4.47Å; L2002-W2004 HydrophobicContact CD2-CZ2 3.81Å; L2002-W2004 HydrophobicContact CG-CZ2 4.36Å; L2002-W2004 PolarHBondContact O-N 3.4Å; W2004-S2006 PolarHBondContact O-N 3.13Å; W2004-S2006 VanDerWaalsContact O-N 3.13Å; W2004-S2007 CarbonylContact O-C 3.55Å; W2004-S2007 PolarHBondContact O-N 3.32Å; W2004-R2025 HydrophobicContact CD2-CB 4.36Å; W2004-R2025 HydrophobicContact CD2-CG 3.72Å; W2004-R2025 HydrophobicContact CE3-CB 4.08Å; W2004-R2025 HydrophobicContact CE3-CG 3.87Å; W2004-R2025 HydrophobicContact CG-CG 4.24Å; W2004-R2025 HydrophobicContact CH2-CB 3.85Å; W2004-R2025 HydrophobicContact CH2-CG 4.21Å; W2004-R2025 HydrophobicContact CZ2-CB 4.1Å; W2004-R2025 HydrophobicContact CZ2-CG 4.04Å; W2004-R2025 HydrophobicContact CZ3-CB 3.83Å; W2004-R2025 HydrophobicContact CZ3-CG 4.13Å; W2004-L2028 HydrophobicContact CZ2-CD2 4.05Å; W2004-L2029 HydrophobicContact CH2-CD1 4.19Å; W2004-L2029 HydrophobicContact CH2-CD2 3.79Å; W2004-L2029 HydrophobicContact CH2-CG 3.78Å; W2004-L2029 HydrophobicContact CZ3-CD1 4.31Å; W2004-L2029 HydrophobicContact CZ3-CD2 4.39Å; W2004-L2029 HydrophobicContact CZ3-CG 4.38Å; W2004-Y2059 AromaticContact CE3-CE2 3.86Å; W2004-Y2059 HydrophobicContact CE3-CE2 3.86Å; W2004-Y2059 AromaticContact CE3-CZ 3.75Å; W2004-Y2059 HydrophobicContact CZ3-CE2 4.03Å; W2004-Y2059 PolarHBondContact O-OH 2.66Å |
| 2005 | L | 86.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -66.6 | -10.7 | 174.8 | -168.1 | 64.2 | 0 | 0 | 0 | 112.3 | I1998 Y1999 L2002 P2003 C2052 R2055 I2056 Y2059 | I1998-L2005 HydrophobicContact CD1-CD2 3.68Å; I1998-L2005 HydrophobicContact CG1-CD2 4.2Å; Y1999-L2005 HydrophobicContact CD1-CB 4.43Å; Y1999-L2005 HydrophobicContact CE1-CB 4.39Å; Y1999-L2005 HydrophobicContact CE1-CG 4.48Å; L2002-L2005 HydrophobicContact CB-CB 4.21Å; L2002-L2005 VanDerWaalsContact O-CB 3.32Å; L2002-L2005 WeakPolarHBondContact O-CB 3.31Å; L2002-L2005 PolarHBondContact O-N 2.77Å; L2002-L2005 VanDerWaalsContact O-N 3.08Å; P2003-L2005 PolarHBondContact O-N 2.67Å; L2005-C2052 HydrophobicContact CD2-CB 4.36Å; L2005-R2055 HydrophobicContact CD1-CB 4.39Å; L2005-R2055 WeakPolarHBondContact O-CD 3.42Å; L2005-R2055 PolarHBondContact O-NH1 2.83Å; L2005-I2056 HydrophobicContact CD1-CG1 4.32Å; L2005-Y2059 HydrophobicContact CD1-CE2 4.33Å |
| 2006 | S | 82.8 | Confident | 82.6 | Confident | 67 Ų | 67 | 59.5 Ų | 59.5 | 47% | 0.469 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -79.3 | -20.6 | 171.3 | 67.6 | 0 | 0 | 0 | 0 | 114.1 | P2003 W2004 | P2003-S2006 WeakPolarHBondContact O-CB 3Å; P2003-S2006 PolarHBondContact O-N 2.87Å; P2003-S2006 PolarHBondContact O-OG 2.93Å; W2004-S2006 PolarHBondContact O-N 3.13Å; W2004-S2006 VanDerWaalsContact O-N 3.13Å |
| 2007 | S | 82.8 | Confident | 82.7 | Confident | 75 Ų | 75 | 56.5 Ų | 56.5 | 52% | 0.524 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -141.5 | 79.3 | -171.9 | 61.5 | 0 | 0 | 0 | 0 | 111.1 | W2004 Y2059 | W2004-S2007 CarbonylContact O-C 3.55Å; W2004-S2007 PolarHBondContact O-N 3.32Å; S2007-Y2059 PolarHBondContact O-OH 3.09Å |
| 2008 | P | 81.1 | Confident | 82.8 | Confident | 33 Ų | 33 | 60.6 Ų | 60.6 | 21% | 0.214 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 141.5 | 169.7 | 27 | -33 | 0 | 0 | 0 | 110.6 | R2055 D2058 Y2059 | P2008-R2055 HydrophobicContact CG-CB 4.24Å; P2008-R2055 HydrophobicContact CG-CG 4.49Å; P2008-D2058 HydrophobicContact CB-CB 3.69Å; P2008-D2058 HydrophobicContact CG-CB 3.88Å; P2008-D2058 WeakPolarHBondContact CG-OD2 3.4Å; P2008-Y2059 HydrophobicContact CB-CD2 4Å; P2008-Y2059 HydrophobicContact CB-CE2 3.78Å; P2008-Y2059 HydrophobicContact CB-CG 4.44Å |
| 2009 | P | 81.3 | Confident | 83.1 | Confident | 21 Ų | 21 | 60.6 Ų | 60.6 | 14% | 0.136 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 135.1 | 177.6 | 30 | -34.1 | 0 | 0 | 0 | 110 | Y2059 F2062 | P2009-Y2059 HydrophobicContact CG-CD1 4.44Å; P2009-Y2059 HydrophobicContact CG-CE1 4.14Å; P2009-F2062 HydrophobicContact CB-CD2 3.91Å; P2009-F2062 HydrophobicContact CB-CE1 4.5Å; P2009-F2062 HydrophobicContact CB-CE2 3.68Å; P2009-F2062 HydrophobicContact CB-CG 4.42Å; P2009-F2062 HydrophobicContact CB-CZ 3.99Å; P2009-F2062 HydrophobicContact CG-CB 4.37Å; P2009-F2062 HydrophobicContact CG-CD1 3.96Å; P2009-F2062 HydrophobicContact CG-CD2 3.75Å; P2009-F2062 HydrophobicContact CG-CE1 4.09Å; P2009-F2062 HydrophobicContact CG-CE2 3.92Å; P2009-F2062 HydrophobicContact CG-CG 3.77Å; P2009-F2062 HydrophobicContact CG-CZ 4.07Å; P2009-F2062 WeakPolarHBondContact O-CD2 3.31Å |
| 2010 | A | 79.8 | Confident | 83.2 | Confident | 49 Ų | 49 | 60.2 Ų | 60.2 | 41% | 0.405 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 145.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110 | T2012 Q2013 F2062 | A2010-T2012 PolarHBondContact O-N 3.12Å; A2010-Q2013 WeakPolarHBondContact O-CA 3.47Å; A2010-Q2013 WeakPolarHBondContact O-CB 3.43Å; A2010-Q2013 PolarHBondContact O-N 2.91Å; A2010-F2062 WeakPolarHBondContact O-CE2 3.44Å |
| 2011 | V | 74.7 | Confident | 83.2 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 42% | 0.424 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -56.5 | -23.9 | 179.7 | -178.2 | 0 | 0 | 0 | 0 | 112.9 | Q2013 L2014 A2065 | V2011-Q2013 PolarHBondContact O-N 2.8Å; V2011-L2014 WeakPolarHBondContact O-CB 3.24Å; V2011-L2014 PolarHBondContact O-N 2.71Å; V2011-A2065 HydrophobicContact CG1-CB 3.7Å; V2011-A2065 HydrophobicContact CG2-CB 4.47Å |
| 2012 | T | 77.4 | Confident | 83.4 | Confident | 137 Ų | 137 | 54.5 Ų | 54.5 | 84% | 0.84 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -70.2 | -9 | 172.4 | 56.5 | 0 | 0 | 0 | 0 | 114.8 | A2010 | A2010-T2012 PolarHBondContact O-N 3.12Š|
| 2013 | Q | 78.7 | Confident | 83.4 | Confident | 117 Ų | 117 | 54.5 Ų | 54.5 | 55% | 0.547 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -105 | 23.3 | 176.7 | -59.9 | 176.9 | -36.5 | 0 | 0 | 111.4 | A2010 V2011 G2015 | A2010-Q2013 WeakPolarHBondContact O-CA 3.47Å; A2010-Q2013 WeakPolarHBondContact O-CB 3.43Å; A2010-Q2013 PolarHBondContact O-N 2.91Å; V2011-Q2013 PolarHBondContact O-N 2.8Å; Q2013-G2015 PolarHBondContact O-N 3.08Å |
| 2014 | L | 82.2 | Confident | 83.6 | Confident | 46 Ų | 46 | 51.5 Ų | 51.5 | 24% | 0.241 | 31% | 0.308 | C | S | . | . | trans | -66.6 | 101.9 | -179.7 | -176.4 | 70.4 | 0 | 0 | 0 | 111.1 | V2011 F2019 F2062 G2066 L2070 | V2011-L2014 WeakPolarHBondContact O-CB 3.24Å; V2011-L2014 PolarHBondContact O-N 2.71Å; L2014-F2019 HydrophobicContact CD1-CD2 4.17Å; L2014-F2062 HydrophobicContact CB-CE2 4.41Å; L2014-F2062 HydrophobicContact CB-CZ 4.47Å; L2014-F2062 HydrophobicContact CD1-CE1 4.03Å; L2014-F2062 HydrophobicContact CD1-CE2 4.33Å; L2014-F2062 HydrophobicContact CD1-CZ 3.94Å; L2014-G2066 VanDerWaalsContact CD1-CA 3.43Å; L2014-L2070 HydrophobicContact CD1-CD1 3.81Å; L2014-L2070 HydrophobicContact CG-CD1 4.01Å | ||
| 2015 | G | 81.6 | Confident | 83.7 | Confident | 21 Ų | 21 | 52.1 Ų | 52.1 | 22% | 0.216 | 31% | 0.311 | C | S | . | . | trans | -127.3 | 163.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q2013 N2017 E2018 F2019 | Q2013-G2015 PolarHBondContact O-N 3.08Å; G2015-N2017 PolarHBondContact O-N 2.91Å; G2015-E2018 WeakPolarHBondContact CA-OE2 3.15Å; G2015-E2018 PolarHBondContact O-N 2.69Å; G2015-F2019 VanDerWaalsContact O-CB 3.28Å; G2015-F2019 WeakPolarHBondContact O-CB 3.44Å; G2015-F2019 PolarHBondContact O-N 3.42Å | ||
| 2016 | A | 80.7 | Confident | 84 | Confident | 39 Ų | 39 | 52.2 Ų | 52.2 | 32% | 0.322 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.3 | -39.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V2020 Q2073 | A2016-V2020 WeakPolarHBondContact O-CG2 3.18Å; A2016-V2020 PolarHBondContact O-N 3.31Å; A2016-V2020 VanDerWaalsContact O-N 3.16Å; A2016-Q2073 VanDerWaalsContact CB-OE1 3.3Å |
| 2017 | N | 82.5 | Confident | 84.5 | Confident | 126 Ų | 126 | 49.2 Ų | 49.2 | 67% | 0.674 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -73.2 | -45 | 179.6 | -67.3 | -20.1 | 0 | 0 | 0 | 110.7 | G2015 F2019 V2020 D2021 | G2015-N2017 PolarHBondContact O-N 2.91Å; N2017-F2019 PolarHBondContact O-N 2.95Å; N2017-V2020 PolarHBondContact O-N 3.16Å; N2017-D2021 WeakPolarHBondContact O-CB 3.25Å; N2017-D2021 PolarHBondContact O-N 2.81Å |
| 2018 | E | 84.7 | Confident | 85.1 | Confident | 90 Ų | 90 | 45.7 Ų | 45.7 | 42% | 0.421 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.5 | -36.8 | 177.2 | -63.5 | 76.6 | -173.3 | 0 | 0 | 111.1 | G2015 C2022 F2062 | G2015-E2018 WeakPolarHBondContact CA-OE2 3.15Å; G2015-E2018 PolarHBondContact O-N 2.69Å; E2018-C2022 WeakPolarHBondContact O-CB 3.22Å; E2018-C2022 PolarHBondContact O-N 3.16Å; E2018-F2062 HydrophobicContact CB-CE1 4.32Å; E2018-F2062 HydrophobicContact CB-CZ 3.97Å |
| 2019 | F | 88.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.4 | -48.6 | 173.7 | -173.9 | -98.2 | 0 | 0 | 0 | 112.6 | L2014 G2015 N2017 D2021 C2022 V2023 V2063 G2066 F2067 L2070 N2077 A2080 | L2014-F2019 HydrophobicContact CD1-CD2 4.17Å; G2015-F2019 VanDerWaalsContact O-CB 3.28Å; G2015-F2019 WeakPolarHBondContact O-CB 3.44Å; G2015-F2019 PolarHBondContact O-N 3.42Å; N2017-F2019 PolarHBondContact O-N 2.95Å; F2019-D2021 PolarHBondContact O-N 3.39Å; F2019-C2022 WeakPolarHBondContact O-CB 3.48Å; F2019-C2022 PolarHBondContact O-N 3.5Å; F2019-V2023 HydrophobicContact CD1-CG2 4.34Å; F2019-V2023 HydrophobicContact CE1-CG2 4.03Å; F2019-V2023 HydrophobicContact CZ-CG2 4.24Å; F2019-V2023 WeakPolarHBondContact O-CG2 3.07Å; F2019-V2023 PolarHBondContact O-N 3.04Å; F2019-V2063 HydrophobicContact CE2-CG1 4.33Å; F2019-V2063 WeakPolarHBondContact CE2-O 3.48Å; F2019-V2063 HydrophobicContact CZ-CG1 4.4Å; F2019-G2066 VanDerWaalsContact CE2-C 3.41Å; F2019-F2067 HydrophobicContact CZ-CB 4.42Å; F2019-L2070 HydrophobicContact CB-CD1 3.53Å; F2019-L2070 HydrophobicContact CD1-CB 4.07Å; F2019-L2070 HydrophobicContact CD1-CD1 4.29Å; F2019-L2070 HydrophobicContact CD2-CD1 4.01Å; F2019-L2070 HydrophobicContact CE1-CB 4.28Å; F2019-L2070 HydrophobicContact CG-CB 4.24Å; F2019-L2070 HydrophobicContact CG-CD1 3.68Å; F2019-N2077 HydrophobicContact CD1-CB 4.42Å; F2019-N2077 HydrophobicContact CE1-CB 3.85Å; F2019-A2080 HydrophobicContact CE1-CB 4.17Å; F2019-A2080 HydrophobicContact CZ-CB 3.91Å |
| 2020 | V | 86.6 | Confident | 86.3 | Confident | 56 Ų | 56 | 43.1 Ų | 43.1 | 34% | 0.339 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.8 | -45.6 | 176.3 | 168.3 | 0 | 0 | 0 | 0 | 111.2 | A2016 N2017 C2022 V2023 G2024 L2076 N2077 | A2016-V2020 WeakPolarHBondContact O-CG2 3.18Å; A2016-V2020 PolarHBondContact O-N 3.31Å; A2016-V2020 VanDerWaalsContact O-N 3.16Å; N2017-V2020 PolarHBondContact O-N 3.16Å; V2020-C2022 VanDerWaalsContact C-N 3.33Å; V2020-C2022 PolarHBondContact O-N 3.27Å; V2020-V2023 PolarHBondContact O-N 2.99Å; V2020-G2024 PolarHBondContact O-N 3.07Å; V2020-L2076 HydrophobicContact CG1-CD2 4.14Å; V2020-N2077 WeakPolarHBondContact CG2-OD1 3.31Å |
| 2021 | D | 86.2 | Confident | 87 | Confident | 88 Ų | 88 | 40.8 Ų | 40.8 | 47% | 0.471 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58 | -44.4 | 174 | -95.8 | 18.1 | 0 | 0 | 0 | 111.9 | N2017 F2019 G2024 R2025 | N2017-D2021 WeakPolarHBondContact O-CB 3.25Å; N2017-D2021 PolarHBondContact O-N 2.81Å; F2019-D2021 PolarHBondContact O-N 3.39Å; D2021-G2024 PolarHBondContact O-N 3.5Å; D2021-R2025 VanDerWaalsContact O-CG 3.28Å; D2021-R2025 WeakPolarHBondContact O-CG 3.39Å; D2021-R2025 PolarHBondContact O-N 3.01Å; D2021-R2025 IonicContact OD2-NH2 2.82Å; D2021-R2025 PolarHBondContact OD2-NH2 3.21Å |
| 2022 | C | 89.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.5 | -43.7 | 178 | -173.3 | 0 | 0 | 0 | 0 | 111.9 | E2018 F2019 V2020 G2024 R2025 V2026 Y2059 F2062 V2063 | E2018-C2022 WeakPolarHBondContact O-CB 3.22Å; E2018-C2022 PolarHBondContact O-N 3.16Å; F2019-C2022 WeakPolarHBondContact O-CB 3.48Å; F2019-C2022 PolarHBondContact O-N 3.5Å; V2020-C2022 VanDerWaalsContact C-N 3.33Å; V2020-C2022 PolarHBondContact O-N 3.27Å; C2022-G2024 VanDerWaalsContact C-N 3.34Å; C2022-G2024 PolarHBondContact O-N 3.23Å; C2022-R2025 PolarHBondContact O-N 3.15Å; C2022-V2026 WeakPolarHBondContact O-CG2 3.47Å; C2022-V2026 PolarHBondContact O-N 3.16Å; C2022-Y2059 PolarHBondContact SG-O 3.42Å; C2022-F2062 HydrophobicContact CB-CD1 3.77Å; C2022-F2062 HydrophobicContact CB-CE1 4.03Å; C2022-F2062 VanDerWaalsContact SG-CD1 3.58Å; C2022-V2063 HydrophobicContact CB-CG2 4.35Å; C2022-V2063 WeakPolarHBondContact SG-CG2 3.41Å |
| 2023 | V | 89.9 | Confident | 88.5 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.3 | -40.1 | 174.2 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | F2019 V2020 R2025 V2026 R2027 V2063 L2076 A2080 | F2019-V2023 HydrophobicContact CD1-CG2 4.34Å; F2019-V2023 HydrophobicContact CE1-CG2 4.03Å; F2019-V2023 HydrophobicContact CZ-CG2 4.24Å; F2019-V2023 WeakPolarHBondContact O-CG2 3.07Å; F2019-V2023 PolarHBondContact O-N 3.04Å; V2020-V2023 PolarHBondContact O-N 2.99Å; V2023-R2025 PolarHBondContact O-N 3.17Å; V2023-V2026 PolarHBondContact O-N 2.9Å; V2023-R2027 WeakPolarHBondContact O-CG 3.46Å; V2023-R2027 PolarHBondContact O-N 2.92Å; V2023-V2063 HydrophobicContact CG2-CG1 4.35Å; V2023-V2063 HydrophobicContact CG2-CG2 4.2Å; V2023-L2076 HydrophobicContact CG1-CD1 3.94Å; V2023-L2076 HydrophobicContact CG1-CG 4.01Å; V2023-A2080 HydrophobicContact CG1-CB 4.28Å; V2023-A2080 HydrophobicContact CG2-CB 3.51Å |
| 2024 | G | 88.6 | Confident | 89.2 | Confident | 8 Ų | 8 | 25.4 Ų | 25.4 | 8% | 0.082 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.8 | -42.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V2020 D2021 C2022 R2027 L2028 | V2020-G2024 PolarHBondContact O-N 3.07Å; D2021-G2024 PolarHBondContact O-N 3.5Å; C2022-G2024 VanDerWaalsContact C-N 3.34Å; C2022-G2024 PolarHBondContact O-N 3.23Å; G2024-R2027 PolarHBondContact O-N 3.35Å; G2024-L2028 PolarHBondContact O-N 3.38Å |
| 2025 | R | 92.2 | Very high | 89.4 | Confident | 50 Ų | 50 | 23.2 Ų | 23.2 | 19% | 0.189 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.1 | -44.3 | 175.7 | -68.2 | 167.7 | -163 | -178.8 | 12.9 | 111.9 | W2004 D2021 C2022 V2023 R2027 L2028 L2029 Y2059 | W2004-R2025 HydrophobicContact CD2-CB 4.36Å; W2004-R2025 HydrophobicContact CD2-CG 3.72Å; W2004-R2025 HydrophobicContact CE3-CB 4.08Å; W2004-R2025 HydrophobicContact CE3-CG 3.87Å; W2004-R2025 HydrophobicContact CG-CG 4.24Å; W2004-R2025 HydrophobicContact CH2-CB 3.85Å; W2004-R2025 HydrophobicContact CH2-CG 4.21Å; W2004-R2025 HydrophobicContact CZ2-CB 4.1Å; W2004-R2025 HydrophobicContact CZ2-CG 4.04Å; W2004-R2025 HydrophobicContact CZ3-CB 3.83Å; W2004-R2025 HydrophobicContact CZ3-CG 4.13Å; D2021-R2025 VanDerWaalsContact O-CG 3.28Å; D2021-R2025 WeakPolarHBondContact O-CG 3.39Å; D2021-R2025 PolarHBondContact O-N 3.01Å; D2021-R2025 IonicContact OD2-NH2 2.82Å; D2021-R2025 PolarHBondContact OD2-NH2 3.21Å; C2022-R2025 PolarHBondContact O-N 3.15Å; V2023-R2025 PolarHBondContact O-N 3.17Å; R2025-R2027 VanDerWaalsContact C-N 3.32Å; R2025-R2027 PolarHBondContact O-N 2.86Å; R2025-L2028 PolarHBondContact O-N 3.22Å; R2025-L2029 WeakPolarHBondContact O-CG 3.14Å; R2025-L2029 PolarHBondContact O-N 3.41Å; R2025-Y2059 PolarHBondContact NH1-OH 2.87Å |
| 2026 | V | 92.9 | Very high | 89.7 | Confident | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.2 | -40.9 | 175.2 | 163.3 | 0 | 0 | 0 | 0 | 111.9 | C2022 V2023 S2030 V2063 H2083 L2087 | C2022-V2026 WeakPolarHBondContact O-CG2 3.47Å; C2022-V2026 PolarHBondContact O-N 3.16Å; V2023-V2026 PolarHBondContact O-N 2.9Å; V2026-S2030 PolarHBondContact O-N 2.91Å; V2026-S2030 VanDerWaalsContact O-N 3.09Å; V2026-S2030 PolarHBondContact O-OG 2.89Å; V2026-V2063 HydrophobicContact CG2-CG2 4.07Å; V2026-H2083 HydrophobicContact CG1-CB 4.06Å; V2026-L2087 HydrophobicContact CB-CD2 4.1Å; V2026-L2087 HydrophobicContact CG1-CB 4.07Å; V2026-L2087 HydrophobicContact CG1-CD2 3.76Å; V2026-L2087 HydrophobicContact CG2-CD2 3.98Å |
| 2027 | R | 93.5 | Very high | 90 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.015 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.6 | -46.5 | 173.9 | -77.2 | 171.8 | 48 | -106.8 | -30.1 | 112.4 | Q1948 V2023 G2024 R2025 L2029 S2030 W2031 H2083 E2215 | Q1948-R2027 PolarHBondContact O-NH1 2.72Å; Q1948-R2027 PolarHBondContact O-NH2 2.99Å; V2023-R2027 WeakPolarHBondContact O-CG 3.46Å; V2023-R2027 PolarHBondContact O-N 2.92Å; G2024-R2027 PolarHBondContact O-N 3.35Å; R2025-R2027 VanDerWaalsContact C-N 3.32Å; R2025-R2027 PolarHBondContact O-N 2.86Å; R2027-L2029 PolarHBondContact O-N 3.47Å; R2027-S2030 WeakPolarHBondContact O-CB 3.45Å; R2027-S2030 PolarHBondContact O-N 3.26Å; R2027-S2030 VanDerWaalsContact O-N 3.12Å; R2027-W2031 PolarHBondContact O-N 3.33Å; R2027-H2083 HydrophobicContact CG-CB 4.04Å; R2027-H2083 VanDerWaalsContact CG-CG 3.5Å; R2027-E2215 IonicContact CZ-OE1 3.42Å; R2027-E2215 IonicContact NE-OE1 3.88Å; R2027-E2215 PolarHBondContact NE-OE1 3.17Å; R2027-E2215 VanDerWaalsContact NH2-CD 3.33Å; R2027-E2215 IonicContact NH2-OE1 2.74Å; R2027-E2215 PolarHBondContact NH2-OE1 2.9Å; R2027-E2215 IonicContact NH2-OE2 3.2Å |
| 2028 | L | 94.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.4 | -42 | 177.9 | 178.5 | 58.5 | 0 | 0 | 0 | 111.9 | I1944 L1947 Q1948 L2002 W2004 G2024 R2025 S2030 W2031 I2032 | I1944-L2028 HydrophobicContact CG2-CD1 4.38Å; I1944-L2028 HydrophobicContact CG2-CD2 4.02Å; L1947-L2028 HydrophobicContact CB-CD1 3.76Å; Q1948-L2028 HydrophobicContact CB-CD1 4.37Å; Q1948-L2028 HydrophobicContact CB-CD2 4.22Å; Q1948-L2028 HydrophobicContact CG-CD2 4.31Å; L2002-L2028 HydrophobicContact CD2-CD2 4.05Å; W2004-L2028 HydrophobicContact CZ2-CD2 4.05Å; G2024-L2028 PolarHBondContact O-N 3.38Å; R2025-L2028 PolarHBondContact O-N 3.22Å; L2028-S2030 VanDerWaalsContact C-N 3.32Å; L2028-S2030 PolarHBondContact O-N 3.26Å; L2028-W2031 PolarHBondContact O-N 3.46Å; L2028-I2032 HydrophobicContact CD1-CD1 4.01Å; L2028-I2032 HydrophobicContact CD1-CG1 4.3Å; L2028-I2032 HydrophobicContact CG-CD1 3.99Å; L2028-I2032 WeakPolarHBondContact O-CG1 3.35Å; L2028-I2032 PolarHBondContact O-N 2.91Å |
| 2029 | L | 93.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.9 | -44.6 | 171.8 | -68.6 | 171.3 | 0 | 0 | 0 | 111.6 | L2002 W2004 R2025 R2027 W2031 I2032 L2033 I2048 I2056 L2087 | L2002-L2029 HydrophobicContact CD1-CD2 4.41Å; W2004-L2029 HydrophobicContact CH2-CD1 4.19Å; W2004-L2029 HydrophobicContact CH2-CD2 3.79Å; W2004-L2029 HydrophobicContact CH2-CG 3.78Å; W2004-L2029 HydrophobicContact CZ3-CD1 4.31Å; W2004-L2029 HydrophobicContact CZ3-CD2 4.39Å; W2004-L2029 HydrophobicContact CZ3-CG 4.38Å; R2025-L2029 WeakPolarHBondContact O-CG 3.14Å; R2025-L2029 PolarHBondContact O-N 3.41Å; R2027-L2029 PolarHBondContact O-N 3.47Å; L2029-W2031 PolarHBondContact O-N 2.84Å; L2029-I2032 PolarHBondContact O-N 2.9Å; L2029-L2033 WeakPolarHBondContact O-CB 3.24Å; L2029-L2033 VanDerWaalsContact O-CG 3.27Å; L2029-L2033 WeakPolarHBondContact O-CG 3.22Å; L2029-L2033 PolarHBondContact O-N 3.5Å; L2029-I2048 HydrophobicContact CD2-CD1 3.67Å; L2029-I2056 HydrophobicContact CD1-CG1 4.38Å; L2029-I2056 HydrophobicContact CD1-CG2 4.41Å; L2029-L2087 HydrophobicContact CB-CD1 3.68Å; L2029-L2087 HydrophobicContact CB-CD2 4.14Å; L2029-L2087 HydrophobicContact CD1-CD2 3.87Å |
| 2030 | S | 94.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.5 | -45.3 | 179.3 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | V2026 R2027 L2028 L2033 I2034 | V2026-S2030 PolarHBondContact O-N 2.91Å; V2026-S2030 VanDerWaalsContact O-N 3.09Å; V2026-S2030 PolarHBondContact O-OG 2.89Å; R2027-S2030 WeakPolarHBondContact O-CB 3.45Å; R2027-S2030 PolarHBondContact O-N 3.26Å; R2027-S2030 VanDerWaalsContact O-N 3.12Å; L2028-S2030 VanDerWaalsContact C-N 3.32Å; L2028-S2030 PolarHBondContact O-N 3.26Å; S2030-L2033 PolarHBondContact O-N 3.29Å; S2030-I2034 VanDerWaalsContact O-CG1 3.29Å; S2030-I2034 WeakPolarHBondContact O-CG1 3.32Å; S2030-I2034 PolarHBondContact O-N 3.33Å |
| 2031 | W | 94.4 | Very high | 87 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.1 | -46.7 | 175 | -74.2 | 116.5 | 0 | 0 | 0 | 112.5 | L1947 K1976 I1977 A1980 R2027 L2028 L2029 L2033 I2034 G2035 I2211 E2215 | L1947-W2031 HydrophobicContact CD2-CB 4.4Å; K1976-W2031 HydrophobicContact CB-CD2 4.4Å; K1976-W2031 HydrophobicContact CB-CE3 4.09Å; K1976-W2031 HydrophobicContact CB-CH2 4.16Å; K1976-W2031 HydrophobicContact CB-CZ2 4.45Å; K1976-W2031 HydrophobicContact CB-CZ3 3.97Å; K1976-W2031 HydrophobicContact CD-CD2 4.24Å; K1976-W2031 HydrophobicContact CD-CH2 4.32Å; K1976-W2031 HydrophobicContact CD-CZ2 3.79Å; I1977-W2031 HydrophobicContact CG1-CZ3 3.95Å; A1980-W2031 VanDerWaalsContact CB-O 3.27Å; A1980-W2031 WeakPolarHBondContact CB-O 3.11Å; R2027-W2031 PolarHBondContact O-N 3.33Å; L2028-W2031 PolarHBondContact O-N 3.46Å; L2029-W2031 PolarHBondContact O-N 2.84Å; W2031-L2033 VanDerWaalsContact C-N 3.32Å; W2031-L2033 PolarHBondContact O-N 3.49Å; W2031-I2034 HydrophobicContact CE3-CD1 4.27Å; W2031-I2034 PolarHBondContact O-N 3.28Å; W2031-G2035 PolarHBondContact O-N 3.29Å; W2031-I2211 HydrophobicContact CH2-CB 4.44Å; W2031-I2211 HydrophobicContact CH2-CG2 4.3Å; W2031-I2211 HydrophobicContact CZ2-CB 4.23Å; W2031-I2211 HydrophobicContact CZ2-CG2 3.63Å; W2031-E2215 PolarHBondContact NE1-OE1 3.11Å; W2031-E2215 PolarHBondContact NE1-OE2 2.9Å |
| 2032 | I | 91.9 | Very high | 85.4 | Confident | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.7 | -41.6 | 178.8 | -67.8 | 169.5 | 0 | 0 | 0 | 111.2 | V1983 L2002 L2028 L2029 G2035 S2036 A2047 I2048 | V1983-I2032 HydrophobicContact CG1-CG1 4.45Å; L2002-I2032 HydrophobicContact CD1-CD1 3.99Å; L2002-I2032 HydrophobicContact CD2-CD1 4.01Å; L2028-I2032 HydrophobicContact CD1-CD1 4.01Å; L2028-I2032 HydrophobicContact CD1-CG1 4.3Å; L2028-I2032 HydrophobicContact CG-CD1 3.99Å; L2028-I2032 WeakPolarHBondContact O-CG1 3.35Å; L2028-I2032 PolarHBondContact O-N 2.91Å; L2029-I2032 PolarHBondContact O-N 2.9Å; I2032-G2035 PolarHBondContact O-N 3.02Å; I2032-S2036 PolarHBondContact O-N 3.23Å; I2032-A2047 HydrophobicContact CG2-CB 4.18Å; I2032-I2048 HydrophobicContact CG2-CD1 4.21Å; I2032-I2048 HydrophobicContact CG2-CG1 4.33Å |
| 2033 | L | 92.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.9 | -41.4 | 176.5 | -69.1 | 173.4 | 0 | 0 | 0 | 112.4 | L2029 S2030 W2031 G2035 S2036 L2037 I2048 L2087 L2090 W2091 Y2094 | L2029-L2033 WeakPolarHBondContact O-CB 3.24Å; L2029-L2033 VanDerWaalsContact O-CG 3.27Å; L2029-L2033 WeakPolarHBondContact O-CG 3.22Å; L2029-L2033 PolarHBondContact O-N 3.5Å; S2030-L2033 PolarHBondContact O-N 3.29Å; W2031-L2033 VanDerWaalsContact C-N 3.32Å; W2031-L2033 PolarHBondContact O-N 3.49Å; L2033-G2035 VanDerWaalsContact C-N 3.29Å; L2033-G2035 PolarHBondContact O-N 3.06Å; L2033-S2036 WeakPolarHBondContact O-CB 3.27Å; L2033-S2036 PolarHBondContact O-N 2.83Å; L2033-L2037 WeakPolarHBondContact O-CB 3.4Å; L2033-L2037 WeakPolarHBondContact O-CG 3.1Å; L2033-L2037 PolarHBondContact O-N 3.29Å; L2033-I2048 HydrophobicContact CD2-CD1 3.99Å; L2033-I2048 HydrophobicContact CG-CD1 4.28Å; L2033-L2087 HydrophobicContact CD1-CD1 3.48Å; L2033-L2087 VanDerWaalsContact CD1-CD1 3.48Å; L2033-L2090 HydrophobicContact CB-CB 4.12Å; L2033-L2090 HydrophobicContact CD1-CB 3.97Å; L2033-W2091 HydrophobicContact CD1-CB 4.4Å; L2033-W2091 HydrophobicContact CD1-CE3 4.09Å; L2033-W2091 HydrophobicContact CD2-CE3 3.99Å; L2033-W2091 HydrophobicContact CD2-CZ3 4.19Å; L2033-Y2094 HydrophobicContact CD2-CD1 3.76Å; L2033-Y2094 HydrophobicContact CD2-CD2 3.55Å; L2033-Y2094 HydrophobicContact CD2-CE1 4.14Å; L2033-Y2094 HydrophobicContact CD2-CE2 3.96Å; L2033-Y2094 HydrophobicContact CD2-CG 3.46Å; L2033-Y2094 VanDerWaalsContact CD2-CG 3.46Å |
| 2034 | I | 91.7 | Very high | 82.7 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59 | -43.7 | 172.1 | -69.5 | 162.9 | 0 | 0 | 0 | 110.2 | I1977 S2030 W2031 L2037 S2038 L2090 I2207 I2211 | I1977-I2034 HydrophobicContact CG1-CG2 4.23Å; I1977-I2034 HydrophobicContact CG2-CG2 4.41Å; S2030-I2034 VanDerWaalsContact O-CG1 3.29Å; S2030-I2034 WeakPolarHBondContact O-CG1 3.32Å; S2030-I2034 PolarHBondContact O-N 3.33Å; W2031-I2034 HydrophobicContact CE3-CD1 4.27Å; W2031-I2034 PolarHBondContact O-N 3.28Å; I2034-L2037 PolarHBondContact O-N 3.3Å; I2034-S2038 WeakPolarHBondContact O-CB 3.13Å; I2034-S2038 PolarHBondContact O-N 2.88Å; I2034-S2038 PolarHBondContact O-OG 2.76Å; I2034-L2090 HydrophobicContact CD1-CD1 4.01Å; I2034-L2090 HydrophobicContact CG1-CD1 3.82Å; I2034-L2090 HydrophobicContact CG1-CD2 3.64Å; I2034-L2090 HydrophobicContact CG1-CG 4.41Å; I2034-I2207 HydrophobicContact CD1-CG2 3.99Å; I2034-I2207 HydrophobicContact CG1-CG2 4.48Å; I2034-I2211 HydrophobicContact CD1-CD1 3.86Å |
| 2035 | G | 87.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.4 | -49.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1980 W2031 I2032 L2033 S2038 C2039 | A1980-G2035 VanDerWaalsContact C-CA 3.48Å; W2031-G2035 PolarHBondContact O-N 3.29Å; I2032-G2035 PolarHBondContact O-N 3.02Å; L2033-G2035 VanDerWaalsContact C-N 3.29Å; L2033-G2035 PolarHBondContact O-N 3.06Å; G2035-S2038 PolarHBondContact O-N 3.36Å; G2035-C2039 PolarHBondContact O-N 3.34Å; G2035-C2039 PolarHBondContact O-SG 3.04Å |
| 2036 | S | 87.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.5 | -48.3 | 176.6 | -112.5 | 0 | 0 | 0 | 0 | 112.9 | I2032 L2033 S2038 S2045 A2047 | I2032-S2036 PolarHBondContact O-N 3.23Å; L2033-S2036 WeakPolarHBondContact O-CB 3.27Å; L2033-S2036 PolarHBondContact O-N 2.83Å; S2036-S2038 VanDerWaalsContact C-N 3.32Å; S2036-S2045 PolarHBondContact OG-O 3.41Å; S2036-A2047 WeakPolarHBondContact OG-CB 3.31Å; S2036-A2047 PolarHBondContact OG-N 3.12Å |
| 2037 | L | 87.5 | Confident | 80.6 | Confident | 14 Ų | 14 | 21.1 Ų | 21.1 | 7% | 0.073 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.4 | -27.1 | -179.3 | -75 | 165.1 | 0 | 0 | 0 | 112.8 | L2033 I2034 C2039 F2044 L2090 I2093 Y2094 E2097 L2200 W2203 L2204 | L2033-L2037 WeakPolarHBondContact O-CB 3.4Å; L2033-L2037 WeakPolarHBondContact O-CG 3.1Å; L2033-L2037 PolarHBondContact O-N 3.29Å; I2034-L2037 PolarHBondContact O-N 3.3Å; L2037-C2039 VanDerWaalsContact C-N 3.34Å; L2037-F2044 HydrophobicContact CD2-CE2 4.12Å; L2037-L2090 HydrophobicContact CD1-CD2 3.89Å; L2037-I2093 HydrophobicContact CD1-CG2 4.48Å; L2037-I2093 HydrophobicContact CD2-CG2 3.99Å; L2037-Y2094 HydrophobicContact CG-CD2 4.45Å; L2037-E2097 HydrophobicContact CD2-CB 4.2Å; L2037-E2097 HydrophobicContact CD2-CG 3.58Å; L2037-L2200 HydrophobicContact CD2-CD1 4.07Å; L2037-W2203 HydrophobicContact CD1-CZ3 4.44Å; L2037-L2204 VanDerWaalsContact C-CD1 3.48Å; L2037-L2204 HydrophobicContact CB-CD1 3.76Å; L2037-L2204 HydrophobicContact CB-CD2 3.54Å; L2037-L2204 HydrophobicContact CB-CG 4.3Å; L2037-L2204 HydrophobicContact CD1-CD2 3.91Å; L2037-L2204 HydrophobicContact CG-CD2 4.33Å; L2037-L2204 VanDerWaalsContact O-CD1 3.28Å; L2037-L2204 WeakPolarHBondContact O-CD1 3.35Å |
| 2038 | S | 83.3 | Confident | 80.3 | Confident | 17 Ų | 17 | 20.9 Ų | 20.9 | 12% | 0.119 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -0.5 | -178.3 | -54.5 | 0 | 0 | 0 | 0 | 113.5 | K1981 I2034 G2035 S2036 S2040 | K1981-S2038 WeakPolarHBondContact CE-O 3.32Å; K1981-S2038 PolarHBondContact NZ-O 3.4Å; I2034-S2038 WeakPolarHBondContact O-CB 3.13Å; I2034-S2038 PolarHBondContact O-N 2.88Å; I2034-S2038 PolarHBondContact O-OG 2.76Å; G2035-S2038 PolarHBondContact O-N 3.36Å; S2036-S2038 VanDerWaalsContact C-N 3.32Å; S2038-S2040 PolarHBondContact O-N 3.12Å |
| 2039 | C | 77 | Confident | 79.8 | Confident | 17 Ų | 17 | 21.6 Ų | 21.6 | 12% | 0.115 | 15% | 0.145 | C | C | . | . | trans | -72.6 | 121.8 | 173.6 | -67.1 | 0 | 0 | 0 | 0 | 109.7 | E1917 G2035 L2037 | E1917-C2039 WeakPolarHBondContact OE1-CA 3.2Å; G2035-C2039 PolarHBondContact O-N 3.34Å; G2035-C2039 PolarHBondContact O-SG 3.04Å; L2037-C2039 VanDerWaalsContact C-N 3.34Å | ||
| 2040 | S | 64.5 | Low | 79.3 | Confident | 82 Ų | 82 | 22.6 Ų | 22.6 | 57% | 0.573 | 15% | 0.15 | S | C | * | . | trans | -87.7 | -7.4 | 177.2 | -60 | 0 | 0 | 0 | 0 | 113.4 | E1917 S2038 | E1917-S2040 VanDerWaalsContact CD-N 3.31Å; E1917-S2040 PolarHBondContact OE1-N 2.83Å; E1917-S2040 PolarHBondContact OE2-N 3.4Å; S2038-S2040 PolarHBondContact O-N 3.12Å | ||
| 2041 | A | 54 | Low | 78.6 | Confident | 24 Ų | 24 | 28.5 Ų | 28.5 | 20% | 0.198 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -56.5 | 140.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1917 A2043 | E1917-A2041 PolarHBondContact OE1-N 2.75Å; A2041-A2043 CarbonylContact O-C 3.59Å; A2041-A2043 PolarHBondContact O-N 3.27Å |
| 2042 | S | 52.8 | Low | 78.1 | Confident | 118 Ų | 118 | 28.6 Ų | 28.6 | 83% | 0.825 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -61 | -12.4 | -175.7 | 53.5 | 0 | 0 | 0 | 0 | 115.5 | H2101 | S2042-H2101 PolarHBondContact O-ND1 3.4Š|
| 2043 | A | 56.4 | Low | 77.9 | Confident | 68 Ų | 68 | 28.7 Ų | 28.7 | 56% | 0.562 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -102 | 100.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | A2041 S2045 | A2041-A2043 CarbonylContact O-C 3.59Å; A2041-A2043 PolarHBondContact O-N 3.27Å; A2043-S2045 PolarHBondContact O-N 3.17Å |
| 2044 | F | 66.5 | Low | 77.7 | Confident | 26 Ų | 26 | 32.1 Ų | 32.1 | 11% | 0.114 | 20% | 0.199 | C | C | . | . | trans | -49.5 | 124.6 | 167.8 | 164.4 | -97.9 | 0 | 0 | 0 | 110.4 | L2037 M2046 Y2094 E2097 T2098 H2101 | L2037-F2044 HydrophobicContact CD2-CE2 4.12Å; F2044-M2046 HydrophobicContact CE1-CB 4.47Å; F2044-M2046 PolarHBondContact O-N 3.24Å; F2044-Y2094 HydrophobicContact CE1-CE2 4.12Å; F2044-Y2094 HydrophobicContact CE2-CD2 4.05Å; F2044-Y2094 HydrophobicContact CE2-CE2 4.19Å; F2044-Y2094 AromaticContact CZ-CD2 3.47Å; F2044-Y2094 HydrophobicContact CZ-CD2 3.47Å; F2044-Y2094 VanDerWaalsContact CZ-CD2 3.47Å; F2044-Y2094 AromaticContact CZ-CE2 3.42Å; F2044-Y2094 HydrophobicContact CZ-CE2 3.42Å; F2044-Y2094 VanDerWaalsContact CZ-CE2 3.42Å; F2044-Y2094 HydrophobicContact CZ-CG 4.19Å; F2044-E2097 HydrophobicContact CD2-CB 3.63Å; F2044-E2097 HydrophobicContact CD2-CG 4.22Å; F2044-E2097 HydrophobicContact CE1-CB 4.28Å; F2044-E2097 HydrophobicContact CE2-CB 3.34Å; F2044-E2097 HydrophobicContact CE2-CG 4.03Å; F2044-E2097 HydrophobicContact CG-CB 4.19Å; F2044-E2097 HydrophobicContact CZ-CB 3.67Å; F2044-T2098 HydrophobicContact CE1-CG2 4.24Å; F2044-T2098 VanDerWaalsContact CE1-OG1 3.23Å; F2044-T2098 WeakPolarHBondContact CE1-OG1 3.48Å; F2044-H2101 HydrophobicContact CB-CB 3.73Å; F2044-H2101 VanDerWaalsContact CB-CD2 3.45Å; F2044-H2101 WeakPolarHBondContact CB-CD2 3.16Å; F2044-H2101 HydrophobicContact CG-CB 4.48Å | ||
| 2045 | S | 68.7 | Low | 77.5 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | trans | -79.4 | 108.4 | -174.4 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | A1984 H1985 C1988 S2036 A2043 A2047 | A1984-S2045 PolarHBondContact O-OG 3.41Å; H1985-S2045 WeakPolarHBondContact CA-OG 3.49Å; C1988-S2045 WeakPolarHBondContact CB-OG 3.41Å; S2036-S2045 PolarHBondContact OG-O 3.41Å; A2043-S2045 PolarHBondContact O-N 3.17Å; S2045-A2047 VanDerWaalsContact C-N 3.33Å; S2045-A2047 PolarHBondContact O-N 2.91Å | ||
| 2046 | M | 79.5 | Confident | 77.6 | Confident | 69 Ų | 69 | 34.7 Ų | 34.7 | 34% | 0.34 | 21% | 0.208 | S | C | . | . | trans | -83.7 | 72.7 | 177 | -159.4 | -162.5 | -45.3 | 0 | 0 | 111.2 | C1988 F2044 I2048 I2050 Y2094 T2098 | C1988-M2046 PolarHBondContact SG-N 2.69Å; C1988-M2046 VanDerWaalsContact SG-N 3.38Å; F2044-M2046 HydrophobicContact CE1-CB 4.47Å; F2044-M2046 PolarHBondContact O-N 3.24Å; M2046-I2048 VanDerWaalsContact C-N 3.29Å; M2046-I2048 PolarHBondContact O-N 3.25Å; M2046-I2050 HydrophobicContact SD-CD1 4.48Å; M2046-Y2094 VanDerWaalsContact CA-OH 3.23Å; M2046-Y2094 WeakPolarHBondContact CA-OH 3.28Å; M2046-Y2094 VanDerWaalsContact CG-OH 3.28Å; M2046-Y2094 WeakPolarHBondContact CG-OH 3.41Å; M2046-T2098 HydrophobicContact CE-CG2 3.73Å; M2046-T2098 HydrophobicContact CG-CG2 4.34Å; M2046-T2098 HydrophobicContact SD-CG2 4.22Å | ||
| 2047 | A | 81.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -69.3 | -20.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A1984 I1987 I1991 I2032 S2036 S2045 Y2094 | A1984-A2047 HydrophobicContact CB-CB 3.81Å; A1984-A2047 VanDerWaalsContact O-CB 3.32Å; A1984-A2047 WeakPolarHBondContact O-CB 3.37Å; I1987-A2047 HydrophobicContact CB-CB 4.46Å; I1987-A2047 HydrophobicContact CG2-CB 4.38Å; I1987-A2047 WeakPolarHBondContact CG2-O 3.45Å; I1991-A2047 WeakPolarHBondContact CD1-O 3.26Å; I2032-A2047 HydrophobicContact CG2-CB 4.18Å; S2036-A2047 WeakPolarHBondContact OG-CB 3.31Å; S2036-A2047 PolarHBondContact OG-N 3.12Å; S2045-A2047 VanDerWaalsContact C-N 3.33Å; S2045-A2047 PolarHBondContact O-N 2.91Å; A2047-Y2094 PolarHBondContact N-OH 3.42Å; A2047-Y2094 VanDerWaalsContact N-OH 3.12Å | ||
| 2048 | I | 86.5 | Confident | 77.9 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -129.6 | 119.5 | 177.6 | -54.8 | -174.7 | 0 | 0 | 0 | 108.5 | I1998 L2029 I2032 L2033 M2046 I2050 C2052 I2056 W2091 Y2094 | I1998-I2048 HydrophobicContact CD1-CB 4.31Å; I1998-I2048 HydrophobicContact CD1-CG1 4.25Å; I1998-I2048 HydrophobicContact CD1-CG2 4.09Å; L2029-I2048 HydrophobicContact CD2-CD1 3.67Å; I2032-I2048 HydrophobicContact CG2-CD1 4.21Å; I2032-I2048 HydrophobicContact CG2-CG1 4.33Å; L2033-I2048 HydrophobicContact CD2-CD1 3.99Å; L2033-I2048 HydrophobicContact CG-CD1 4.28Å; M2046-I2048 VanDerWaalsContact C-N 3.29Å; M2046-I2048 PolarHBondContact O-N 3.25Å; I2048-I2050 PolarHBondContact O-N 2.75Å; I2048-C2052 HydrophobicContact CG2-CB 4.08Å; I2048-I2056 HydrophobicContact CG2-CD1 4.11Å; I2048-W2091 HydrophobicContact CB-CH2 4.47Å; I2048-W2091 HydrophobicContact CB-CZ3 4Å; I2048-W2091 HydrophobicContact CG2-CH2 3.87Å; I2048-W2091 HydrophobicContact CG2-CZ3 3.69Å; I2048-Y2094 HydrophobicContact CB-CE1 4.39Å; I2048-Y2094 PolarHBondContact N-OH 3.34Å; I2048-Y2094 VanDerWaalsContact O-CE1 3.28Å; I2048-Y2094 WeakPolarHBondContact O-CE1 3.3Å; I2048-Y2094 PolarHBondContact O-OH 3.22Å |
| 2049 | P | 84 | Confident | 78.4 | Confident | 15 Ų | 15 | 35.6 Ų | 35.6 | 10% | 0.097 | 21% | 0.212 | C | C | . | . | trans | -62.6 | 136.5 | 178.6 | -21.6 | 33.8 | 0 | 0 | 0 | 110.6 | I1991 D2051 C2052 | I1991-P2049 HydrophobicContact CD1-CG 4.23Å; I1991-P2049 HydrophobicContact CG2-CG 4.17Å; P2049-D2051 PolarHBondContact O-N 3.34Å; P2049-D2051 VanDerWaalsContact O-N 3.12Å; P2049-C2052 VanDerWaalsContact O-CB 3.27Å; P2049-C2052 WeakPolarHBondContact O-CB 3.4Å; P2049-C2052 PolarHBondContact O-N 3.37Å | ||
| 2050 | I | 82.5 | Confident | 79.1 | Confident | 21 Ų | 21 | 34.8 Ų | 34.8 | 11% | 0.108 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -54 | -33.1 | 178.7 | -67.4 | 151.1 | 0 | 0 | 0 | 111.9 | M2046 I2048 C2052 S2053 T2098 A2111 S2114 | M2046-I2050 HydrophobicContact SD-CD1 4.48Å; I2048-I2050 PolarHBondContact O-N 2.75Å; I2050-C2052 PolarHBondContact O-N 3.48Å; I2050-C2052 VanDerWaalsContact O-N 3.1Å; I2050-S2053 WeakPolarHBondContact O-CB 3.15Å; I2050-S2053 PolarHBondContact O-N 3.06Å; I2050-T2098 HydrophobicContact CD1-CG2 3.49Å; I2050-T2098 VanDerWaalsContact CD1-CG2 3.49Å; I2050-T2098 HydrophobicContact CG1-CG2 4.37Å; I2050-A2111 HydrophobicContact CD1-CB 3.73Å; I2050-A2111 HydrophobicContact CG1-CB 4.35Å; I2050-A2111 HydrophobicContact CG2-CB 4.2Å; I2050-S2114 VanDerWaalsContact CG2-OG 3.25Å; I2050-S2114 WeakPolarHBondContact CG2-OG 3.11Å; I2050-S2114 PolarHBondContact O-OG 3.16Å |
| 2051 | D | 79.6 | Confident | 80.3 | Confident | 125 Ų | 125 | 33.3 Ų | 33.3 | 67% | 0.668 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -54 | -28.7 | 174.3 | -56.4 | -16.5 | 0 | 0 | 0 | 113 | P2049 S2053 H2054 | P2049-D2051 PolarHBondContact O-N 3.34Å; P2049-D2051 VanDerWaalsContact O-N 3.12Å; D2051-S2053 PolarHBondContact O-N 3.27Å; D2051-H2054 PolarHBondContact O-CE1 3.03Å; D2051-H2054 PolarHBondContact O-ND1 3.25Å |
| 2052 | C | 85.7 | Confident | 82.1 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -71.6 | -7 | 178.3 | -62.9 | 0 | 0 | 0 | 0 | 113.4 | L2005 I2048 P2049 I2050 H2054 R2055 I2056 | L2005-C2052 HydrophobicContact CD2-CB 4.36Å; I2048-C2052 HydrophobicContact CG2-CB 4.08Å; P2049-C2052 VanDerWaalsContact O-CB 3.27Å; P2049-C2052 WeakPolarHBondContact O-CB 3.4Å; P2049-C2052 PolarHBondContact O-N 3.37Å; I2050-C2052 PolarHBondContact O-N 3.48Å; I2050-C2052 VanDerWaalsContact O-N 3.1Å; C2052-H2054 PolarHBondContact O-N 2.95Å; C2052-H2054 VanDerWaalsContact O-N 3.08Å; C2052-R2055 PolarHBondContact O-N 3.45Å; C2052-I2056 HydrophobicContact CB-CD1 4.48Å; C2052-I2056 WeakPolarHBondContact O-CG1 3.2Å; C2052-I2056 PolarHBondContact O-N 3.33Å; C2052-I2056 VanDerWaalsContact O-N 3.11Å |
| 2053 | S | 87.6 | Confident | 83.9 | Confident | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -43 | -42.3 | 173.2 | 171.1 | 0 | 0 | 0 | 0 | 112.9 | I2050 D2051 R2055 I2056 S2057 S2114 F2118 | I2050-S2053 WeakPolarHBondContact O-CB 3.15Å; I2050-S2053 PolarHBondContact O-N 3.06Å; D2051-S2053 PolarHBondContact O-N 3.27Å; S2053-R2055 VanDerWaalsContact C-N 3.29Å; S2053-R2055 PolarHBondContact O-N 3.2Å; S2053-I2056 PolarHBondContact O-N 3.18Å; S2053-S2057 PolarHBondContact O-N 3.46Å; S2053-S2057 PolarHBondContact O-OG 3.36Å; S2053-S2114 WeakPolarHBondContact CB-OG 3.44Å; S2053-S2114 PolarHBondContact OG-O 3.46Å; S2053-S2114 VanDerWaalsContact OG-O 3.08Å; S2053-S2114 PolarHBondContact OG-OG 2.81Å; S2053-F2118 WeakPolarHBondContact OG-CB 3.48Å |
| 2054 | H | 86.7 | Confident | 85.5 | Confident | 73 Ų | 73 | 23.4 Ų | 23.4 | 34% | 0.338 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -62.1 | -34.9 | 179.6 | 67.7 | -86.1 | 0 | 0 | 0 | 114.3 | D2051 C2052 S2057 D2058 R2121 | D2051-H2054 PolarHBondContact O-CE1 3.03Å; D2051-H2054 PolarHBondContact O-ND1 3.25Å; C2052-H2054 PolarHBondContact O-N 2.95Å; C2052-H2054 VanDerWaalsContact O-N 3.08Å; H2054-S2057 WeakPolarHBondContact CA-OG 3.28Å; H2054-S2057 PolarHBondContact O-OG 2.76Å; H2054-D2058 PolarHBondContact O-N 3.38Å; H2054-D2058 VanDerWaalsContact O-N 3.16Å; H2054-R2121 VanDerWaalsContact CA-NH1 3.32Å; H2054-R2121 VanDerWaalsContact CB-NH2 3.29Å; H2054-R2121 PolarHBondContact O-NH1 3.09Å |
| 2055 | R | 88.1 | Confident | 86.5 | Confident | 53 Ų | 53 | 23.9 Ų | 23.9 | 20% | 0.2 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -85.3 | -31.8 | -177.9 | -50.1 | -173.4 | -169.7 | 160.4 | 5.7 | 111.9 | Y1999 L2005 P2008 C2052 S2053 S2057 D2058 Y2059 | Y1999-R2055 PolarHBondContact OH-NH1 3.47Å; L2005-R2055 HydrophobicContact CD1-CB 4.39Å; L2005-R2055 WeakPolarHBondContact O-CD 3.42Å; L2005-R2055 PolarHBondContact O-NH1 2.83Å; P2008-R2055 HydrophobicContact CG-CB 4.24Å; P2008-R2055 HydrophobicContact CG-CG 4.49Å; C2052-R2055 PolarHBondContact O-N 3.45Å; S2053-R2055 VanDerWaalsContact C-N 3.29Å; S2053-R2055 PolarHBondContact O-N 3.2Å; R2055-S2057 VanDerWaalsContact C-N 3.33Å; R2055-D2058 PolarHBondContact O-N 3.15Å; R2055-Y2059 WeakPolarHBondContact O-CD2 3.48Å; R2055-Y2059 PolarHBondContact O-N 3.42Å |
| 2056 | I | 90.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.5 | -39.9 | 173.9 | -59.4 | 170 | 0 | 0 | 0 | 109.5 | L2005 L2029 I2048 C2052 S2053 Y2059 I2060 L2087 W2091 F2118 | L2005-I2056 HydrophobicContact CD1-CG1 4.32Å; L2029-I2056 HydrophobicContact CD1-CG1 4.38Å; L2029-I2056 HydrophobicContact CD1-CG2 4.41Å; I2048-I2056 HydrophobicContact CG2-CD1 4.11Å; C2052-I2056 HydrophobicContact CB-CD1 4.48Å; C2052-I2056 WeakPolarHBondContact O-CG1 3.2Å; C2052-I2056 PolarHBondContact O-N 3.33Å; C2052-I2056 VanDerWaalsContact O-N 3.11Å; S2053-I2056 PolarHBondContact O-N 3.18Å; I2056-Y2059 PolarHBondContact O-N 3.17Å; I2056-I2060 HydrophobicContact CG2-CD1 3.97Å; I2056-I2060 WeakPolarHBondContact O-CD1 3.41Å; I2056-I2060 WeakPolarHBondContact O-CG1 3.28Å; I2056-I2060 PolarHBondContact O-N 3.2Å; I2056-L2087 HydrophobicContact CG2-CD2 4Å; I2056-L2087 HydrophobicContact CG2-CG 4.31Å; I2056-W2091 HydrophobicContact CD1-CD2 3.81Å; I2056-W2091 HydrophobicContact CD1-CE3 3.53Å; I2056-W2091 HydrophobicContact CD1-CH2 3.5Å; I2056-W2091 HydrophobicContact CD1-CZ2 3.78Å; I2056-W2091 HydrophobicContact CD1-CZ3 3.37Å; I2056-F2118 HydrophobicContact CB-CE2 4.24Å; I2056-F2118 HydrophobicContact CG2-CE2 3.87Å |
| 2057 | S | 89.7 | Confident | 87.8 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.3 | -40 | 172.1 | 40.2 | 0 | 0 | 0 | 0 | 112.5 | S2053 H2054 R2055 Y2059 I2060 Q2061 R2121 | S2053-S2057 PolarHBondContact O-N 3.46Å; S2053-S2057 PolarHBondContact O-OG 3.36Å; H2054-S2057 WeakPolarHBondContact CA-OG 3.28Å; H2054-S2057 PolarHBondContact O-OG 2.76Å; R2055-S2057 VanDerWaalsContact C-N 3.33Å; S2057-Y2059 PolarHBondContact O-N 3.05Å; S2057-I2060 PolarHBondContact O-N 3.13Å; S2057-Q2061 WeakPolarHBondContact O-CB 3.32Å; S2057-Q2061 WeakPolarHBondContact O-CG 3.3Å; S2057-Q2061 PolarHBondContact O-N 3.44Å; S2057-R2121 PolarHBondContact OG-NH1 3.32Å |
| 2058 | D | 91.2 | Very high | 87.9 | Confident | 50 Ų | 50 | 22.4 Ų | 22.4 | 27% | 0.267 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -59.5 | -44.1 | 172.8 | -58.9 | -25.8 | 0 | 0 | 0 | 111.9 | P2008 H2054 R2055 I2060 Q2061 F2062 R2121 | P2008-D2058 HydrophobicContact CB-CB 3.69Å; P2008-D2058 HydrophobicContact CG-CB 3.88Å; P2008-D2058 WeakPolarHBondContact CG-OD2 3.4Å; H2054-D2058 PolarHBondContact O-N 3.38Å; H2054-D2058 VanDerWaalsContact O-N 3.16Å; R2055-D2058 PolarHBondContact O-N 3.15Å; D2058-I2060 PolarHBondContact O-N 2.93Å; D2058-Q2061 PolarHBondContact O-N 3.38Å; D2058-F2062 PolarHBondContact O-N 2.74Å; D2058-R2121 IonicContact OD1-NH1 2.69Å |
| 2059 | Y | 92.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.3 | -42.7 | 174.4 | -87.3 | -65.4 | 0 | 0 | 0 | 112.4 | W2004 L2005 S2007 P2008 P2009 C2022 R2025 R2055 I2056 S2057 F2062 V2063 | W2004-Y2059 AromaticContact CE3-CE2 3.86Å; W2004-Y2059 HydrophobicContact CE3-CE2 3.86Å; W2004-Y2059 AromaticContact CE3-CZ 3.75Å; W2004-Y2059 HydrophobicContact CZ3-CE2 4.03Å; W2004-Y2059 PolarHBondContact O-OH 2.66Å; L2005-Y2059 HydrophobicContact CD1-CE2 4.33Å; S2007-Y2059 PolarHBondContact O-OH 3.09Å; P2008-Y2059 HydrophobicContact CB-CD2 4Å; P2008-Y2059 HydrophobicContact CB-CE2 3.78Å; P2008-Y2059 HydrophobicContact CB-CG 4.44Å; P2009-Y2059 HydrophobicContact CG-CD1 4.44Å; P2009-Y2059 HydrophobicContact CG-CE1 4.14Å; C2022-Y2059 PolarHBondContact SG-O 3.42Å; R2025-Y2059 PolarHBondContact NH1-OH 2.87Å; R2055-Y2059 WeakPolarHBondContact O-CD2 3.48Å; R2055-Y2059 PolarHBondContact O-N 3.42Å; I2056-Y2059 PolarHBondContact O-N 3.17Å; S2057-Y2059 PolarHBondContact O-N 3.05Å; Y2059-F2062 PolarHBondContact O-N 3.46Å; Y2059-V2063 PolarHBondContact O-N 2.99Å; Y2059-V2063 VanDerWaalsContact O-N 3.1Å |
| 2060 | I | 92.9 | Very high | 87.7 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.5 | -42.1 | 177.7 | -70.2 | 158.9 | 0 | 0 | 0 | 110.8 | I2056 S2057 D2058 F2062 V2063 L2064 L2087 F2118 I2122 | I2056-I2060 HydrophobicContact CG2-CD1 3.97Å; I2056-I2060 WeakPolarHBondContact O-CD1 3.41Å; I2056-I2060 WeakPolarHBondContact O-CG1 3.28Å; I2056-I2060 PolarHBondContact O-N 3.2Å; S2057-I2060 PolarHBondContact O-N 3.13Å; D2058-I2060 PolarHBondContact O-N 2.93Å; I2060-F2062 VanDerWaalsContact C-N 3.29Å; I2060-F2062 PolarHBondContact O-N 2.74Å; I2060-V2063 PolarHBondContact O-N 3.01Å; I2060-L2064 HydrophobicContact CG2-CD1 3.8Å; I2060-L2064 HydrophobicContact CG2-CG 4.1Å; I2060-L2064 WeakPolarHBondContact O-CB 3.31Å; I2060-L2064 VanDerWaalsContact O-CG 3.26Å; I2060-L2064 WeakPolarHBondContact O-CG 3.38Å; I2060-L2064 PolarHBondContact O-N 3.36Å; I2060-L2087 HydrophobicContact CD1-CD2 4.06Å; I2060-L2087 HydrophobicContact CD1-CG 4.19Å; I2060-L2087 HydrophobicContact CG1-CD2 4.14Å; I2060-F2118 HydrophobicContact CD1-CE2 3.76Å; I2060-F2118 HydrophobicContact CD1-CZ 3.46Å; I2060-F2118 VanDerWaalsContact CD1-CZ 3.46Å; I2060-I2122 HydrophobicContact CB-CD1 4.16Å; I2060-I2122 HydrophobicContact CB-CG1 4.44Å; I2060-I2122 HydrophobicContact CD1-CD1 3.9Å; I2060-I2122 HydrophobicContact CG2-CD1 3.91Å; I2060-I2122 HydrophobicContact CG2-CG1 4.07Å; I2060-I2122 HydrophobicContact CG2-CG2 4.24Å |
| 2061 | Q | 90.1 | Very high | 87.7 | Confident | 51 Ų | 51 | 28.9 Ų | 28.9 | 24% | 0.238 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.7 | -41.6 | 173.4 | -75.9 | 179.2 | -3.9 | 0 | 0 | 111.9 | S2057 D2058 L2064 A2065 R2121 A2125 | S2057-Q2061 WeakPolarHBondContact O-CB 3.32Å; S2057-Q2061 WeakPolarHBondContact O-CG 3.3Å; S2057-Q2061 PolarHBondContact O-N 3.44Å; D2058-Q2061 PolarHBondContact O-N 3.38Å; Q2061-L2064 PolarHBondContact O-N 3.47Å; Q2061-A2065 WeakPolarHBondContact O-CB 3.38Å; Q2061-A2065 PolarHBondContact O-N 2.91Å; Q2061-R2121 PolarHBondContact NE2-O 2.8Å; Q2061-A2125 HydrophobicContact CG-CB 4.31Å |
| 2062 | F | 90.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 176.2 | -169.6 | -89.2 | 0 | 0 | 0 | 112.1 | P2009 A2010 L2014 E2018 C2022 D2058 Y2059 I2060 G2066 | P2009-F2062 HydrophobicContact CB-CD2 3.91Å; P2009-F2062 HydrophobicContact CB-CE1 4.5Å; P2009-F2062 HydrophobicContact CB-CE2 3.68Å; P2009-F2062 HydrophobicContact CB-CG 4.42Å; P2009-F2062 HydrophobicContact CB-CZ 3.99Å; P2009-F2062 HydrophobicContact CG-CB 4.37Å; P2009-F2062 HydrophobicContact CG-CD1 3.96Å; P2009-F2062 HydrophobicContact CG-CD2 3.75Å; P2009-F2062 HydrophobicContact CG-CE1 4.09Å; P2009-F2062 HydrophobicContact CG-CE2 3.92Å; P2009-F2062 HydrophobicContact CG-CG 3.77Å; P2009-F2062 HydrophobicContact CG-CZ 4.07Å; P2009-F2062 WeakPolarHBondContact O-CD2 3.31Å; A2010-F2062 WeakPolarHBondContact O-CE2 3.44Å; L2014-F2062 HydrophobicContact CB-CE2 4.41Å; L2014-F2062 HydrophobicContact CB-CZ 4.47Å; L2014-F2062 HydrophobicContact CD1-CE1 4.03Å; L2014-F2062 HydrophobicContact CD1-CE2 4.33Å; L2014-F2062 HydrophobicContact CD1-CZ 3.94Å; E2018-F2062 HydrophobicContact CB-CE1 4.32Å; E2018-F2062 HydrophobicContact CB-CZ 3.97Å; C2022-F2062 HydrophobicContact CB-CD1 3.77Å; C2022-F2062 HydrophobicContact CB-CE1 4.03Å; C2022-F2062 VanDerWaalsContact SG-CD1 3.58Å; D2058-F2062 PolarHBondContact O-N 2.74Å; Y2059-F2062 PolarHBondContact O-N 3.46Å; I2060-F2062 VanDerWaalsContact C-N 3.29Å; I2060-F2062 PolarHBondContact O-N 2.74Å; F2062-G2066 PolarHBondContact O-N 3.24Å |
| 2063 | V | 91.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.9 | -43 | 173.2 | 176.9 | 0 | 0 | 0 | 0 | 111.8 | F2019 C2022 V2023 V2026 Y2059 I2060 G2066 F2067 A2080 A2084 | F2019-V2063 HydrophobicContact CE2-CG1 4.33Å; F2019-V2063 WeakPolarHBondContact CE2-O 3.48Å; F2019-V2063 HydrophobicContact CZ-CG1 4.4Å; C2022-V2063 HydrophobicContact CB-CG2 4.35Å; C2022-V2063 WeakPolarHBondContact SG-CG2 3.41Å; V2023-V2063 HydrophobicContact CG2-CG1 4.35Å; V2023-V2063 HydrophobicContact CG2-CG2 4.2Å; V2026-V2063 HydrophobicContact CG2-CG2 4.07Å; Y2059-V2063 PolarHBondContact O-N 2.99Å; Y2059-V2063 VanDerWaalsContact O-N 3.1Å; I2060-V2063 PolarHBondContact O-N 3.01Å; V2063-G2066 PolarHBondContact O-N 3.14Å; V2063-F2067 WeakPolarHBondContact O-CB 3.46Å; V2063-F2067 PolarHBondContact O-N 3.24Å; V2063-A2080 HydrophobicContact CG1-CB 3.86Å; V2063-A2084 HydrophobicContact CG1-CB 4.15Å |
| 2064 | L | 90.5 | Very high | 86.7 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65 | -47.5 | -179.5 | -70.7 | 176.6 | 0 | 0 | 0 | 111.4 | I2060 Q2061 F2067 L2081 F2085 I2122 A2125 I2126 L2129 | I2060-L2064 HydrophobicContact CG2-CD1 3.8Å; I2060-L2064 HydrophobicContact CG2-CG 4.1Å; I2060-L2064 WeakPolarHBondContact O-CB 3.31Å; I2060-L2064 VanDerWaalsContact O-CG 3.26Å; I2060-L2064 WeakPolarHBondContact O-CG 3.38Å; I2060-L2064 PolarHBondContact O-N 3.36Å; Q2061-L2064 PolarHBondContact O-N 3.47Å; L2064-F2067 PolarHBondContact O-N 3.09Å; L2064-L2081 HydrophobicContact CD2-CD2 3.68Å; L2064-F2085 HydrophobicContact CD2-CE2 4.46Å; L2064-I2122 HydrophobicContact CD1-CG2 3.99Å; L2064-A2125 HydrophobicContact CB-CB 4.32Å; L2064-A2125 HydrophobicContact CD1-CB 3.98Å; L2064-I2126 HydrophobicContact CD1-CG1 3.99Å; L2064-L2129 HydrophobicContact CB-CD1 3.65Å; L2064-L2129 HydrophobicContact CD2-CD1 3.52Å; L2064-L2129 HydrophobicContact CG-CD1 4.09Å; L2064-L2129 WeakPolarHBondContact O-CD1 3.46Å; L2064-L2129 WeakPolarHBondContact O-CD2 3.35Å |
| 2065 | A | 86.8 | Confident | 86.2 | Confident | 36 Ų | 36 | 33.2 Ų | 33.2 | 30% | 0.298 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.8 | -45.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V2011 Q2061 F2067 | V2011-A2065 HydrophobicContact CG1-CB 3.7Å; V2011-A2065 HydrophobicContact CG2-CB 4.47Å; Q2061-A2065 WeakPolarHBondContact O-CB 3.38Å; Q2061-A2065 PolarHBondContact O-N 2.91Å; A2065-F2067 VanDerWaalsContact C-N 3.35Å; A2065-F2067 PolarHBondContact O-N 3.5Å |
| 2066 | G | 87 | Confident | 85.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.1 | -28.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L2014 F2019 F2062 V2063 A2068 E2069 L2070 | L2014-G2066 VanDerWaalsContact CD1-CA 3.43Å; F2019-G2066 VanDerWaalsContact CE2-C 3.41Å; F2062-G2066 PolarHBondContact O-N 3.24Å; V2063-G2066 PolarHBondContact O-N 3.14Å; G2066-A2068 VanDerWaalsContact C-N 3.29Å; G2066-A2068 PolarHBondContact O-N 3.32Å; G2066-E2069 PolarHBondContact O-N 3.04Å; G2066-E2069 VanDerWaalsContact O-N 3.16Å; G2066-L2070 WeakPolarHBondContact O-CB 3.49Å; G2066-L2070 PolarHBondContact O-N 3.47Å |
| 2067 | F | 89.4 | Confident | 85.4 | Confident | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.035 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.3 | -34.4 | -176.3 | -173.3 | -92.1 | 0 | 0 | 0 | 112.8 | F2019 V2063 L2064 A2065 E2069 S2071 N2077 A2080 L2081 L2136 | F2019-F2067 HydrophobicContact CZ-CB 4.42Å; V2063-F2067 WeakPolarHBondContact O-CB 3.46Å; V2063-F2067 PolarHBondContact O-N 3.24Å; L2064-F2067 PolarHBondContact O-N 3.09Å; A2065-F2067 VanDerWaalsContact C-N 3.35Å; A2065-F2067 PolarHBondContact O-N 3.5Å; F2067-E2069 PolarHBondContact O-N 2.98Å; F2067-S2071 VanDerWaalsContact CE2-CB 3.48Å; F2067-S2071 WeakPolarHBondContact O-CB 3.28Å; F2067-S2071 PolarHBondContact O-N 3.34Å; F2067-S2071 PolarHBondContact O-OG 3.39Å; F2067-N2077 VanDerWaalsContact CE2-O 3.26Å; F2067-N2077 WeakPolarHBondContact CE2-O 3.25Å; F2067-A2080 HydrophobicContact CD2-CB 4.08Å; F2067-L2081 HydrophobicContact CB-CD2 4.3Å; F2067-L2081 HydrophobicContact CD1-CD1 3.68Å; F2067-L2081 HydrophobicContact CD1-CD2 4.11Å; F2067-L2081 HydrophobicContact CD1-CG 3.69Å; F2067-L2081 HydrophobicContact CD2-CD1 4.47Å; F2067-L2081 HydrophobicContact CD2-CD2 4.37Å; F2067-L2081 HydrophobicContact CD2-CG 3.73Å; F2067-L2081 HydrophobicContact CE1-CD1 3.35Å; F2067-L2081 HydrophobicContact CE1-CG 3.7Å; F2067-L2081 HydrophobicContact CE2-CB 4.28Å; F2067-L2081 HydrophobicContact CE2-CD1 4.19Å; F2067-L2081 HydrophobicContact CE2-CG 3.71Å; F2067-L2081 HydrophobicContact CG-CD1 4.23Å; F2067-L2081 HydrophobicContact CG-CD2 3.99Å; F2067-L2081 HydrophobicContact CG-CG 3.69Å; F2067-L2081 HydrophobicContact CZ-CB 4.43Å; F2067-L2081 HydrophobicContact CZ-CD1 3.63Å; F2067-L2081 HydrophobicContact CZ-CG 3.7Å; F2067-L2136 HydrophobicContact CD1-CD1 3.56Å; F2067-L2136 HydrophobicContact CE1-CD1 3.49Å; F2067-L2136 VanDerWaalsContact CE1-CD1 3.49Å |
| 2068 | A | 81.9 | Confident | 85.2 | Confident | 32 Ų | 32 | 34.5 Ų | 34.5 | 26% | 0.264 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.6 | -28.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | G2066 L2129 L2136 | G2066-A2068 VanDerWaalsContact C-N 3.29Å; G2066-A2068 PolarHBondContact O-N 3.32Å; A2068-L2129 HydrophobicContact CB-CD2 4.11Å; A2068-L2136 HydrophobicContact CB-CD2 4.05Å |
| 2069 | E | 81.8 | Confident | 85 | Confident | 141 Ų | 141 | 32.7 Ų | 32.7 | 66% | 0.659 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -106.8 | -35.3 | -175.6 | -60.6 | -173.1 | 169.4 | 0 | 0 | 113.4 | G2066 F2067 | G2066-E2069 PolarHBondContact O-N 3.04Å; G2066-E2069 VanDerWaalsContact O-N 3.16Å; F2067-E2069 PolarHBondContact O-N 2.98Å |
| 2070 | L | 85.5 | Confident | 84.9 | Confident | 17 Ų | 17 | 32.8 Ų | 32.8 | 9% | 0.089 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -111 | -6.8 | -166.4 | -56.1 | 175.8 | 0 | 0 | 0 | 114.7 | L2014 F2019 G2066 N2072 Q2073 N2077 | L2014-L2070 HydrophobicContact CD1-CD1 3.81Å; L2014-L2070 HydrophobicContact CG-CD1 4.01Å; F2019-L2070 HydrophobicContact CB-CD1 3.53Å; F2019-L2070 HydrophobicContact CD1-CB 4.07Å; F2019-L2070 HydrophobicContact CD1-CD1 4.29Å; F2019-L2070 HydrophobicContact CD2-CD1 4.01Å; F2019-L2070 HydrophobicContact CE1-CB 4.28Å; F2019-L2070 HydrophobicContact CG-CB 4.24Å; F2019-L2070 HydrophobicContact CG-CD1 3.68Å; G2066-L2070 WeakPolarHBondContact O-CB 3.49Å; G2066-L2070 PolarHBondContact O-N 3.47Å; L2070-N2072 VanDerWaalsContact C-N 3.27Å; L2070-N2072 PolarHBondContact O-N 3.26Å; L2070-Q2073 VanDerWaalsContact CD2-NE2 3.3Å; L2070-Q2073 PolarHBondContact O-N 3.34Å; L2070-N2077 WeakPolarHBondContact O-CB 3.23Å; L2070-N2077 PolarHBondContact O-ND2 3.43Å |
| 2071 | S | 82 | Confident | 84.8 | Confident | 14 Ų | 14 | 32.7 Ų | 32.7 | 10% | 0.098 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -52.8 | -39.2 | -177.1 | 44.9 | 0 | 0 | 0 | 0 | 114.2 | F2067 Q2073 N2077 M2078 | F2067-S2071 VanDerWaalsContact CE2-CB 3.48Å; F2067-S2071 WeakPolarHBondContact O-CB 3.28Å; F2067-S2071 PolarHBondContact O-N 3.34Å; F2067-S2071 PolarHBondContact O-OG 3.39Å; S2071-Q2073 VanDerWaalsContact C-N 3.29Å; S2071-Q2073 PolarHBondContact O-N 2.99Å; S2071-N2077 CarbonylContact O-C 3.48Å; S2071-N2077 WeakPolarHBondContact O-CB 3.49Å; S2071-M2078 VanDerWaalsContact O-CG 3.29Å; S2071-M2078 WeakPolarHBondContact O-CG 3.45Å; S2071-M2078 PolarHBondContact O-N 3.34Å |
| 2072 | N | 75.9 | Confident | 85 | Confident | 136 Ų | 136 | 31.6 Ų | 31.6 | 73% | 0.727 | 17% | 0.172 | S | C | * | . | G | 310 helix | trans | -78.4 | -4 | -175.1 | -64.7 | -29.4 | 0 | 0 | 0 | 114.9 | L2070 | L2070-N2072 VanDerWaalsContact C-N 3.27Å; L2070-N2072 PolarHBondContact O-N 3.26Å |
| 2073 | Q | 78.7 | Confident | 85.1 | Confident | 109 Ų | 109 | 31.6 Ų | 31.6 | 51% | 0.509 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -80.9 | -24 | -173.5 | -64.3 | -176.5 | -8.3 | 0 | 0 | 114.2 | A2016 L2070 S2071 | A2016-Q2073 VanDerWaalsContact CB-OE1 3.3Å; L2070-Q2073 VanDerWaalsContact CD2-NE2 3.3Å; L2070-Q2073 PolarHBondContact O-N 3.34Å; S2071-Q2073 VanDerWaalsContact C-N 3.29Å; S2071-Q2073 PolarHBondContact O-N 2.99Å |
| 2074 | S | 76.8 | Confident | 85.2 | Confident | 30 Ų | 30 | 31.7 Ų | 31.7 | 21% | 0.21 | 17% | 0.173 | C | C | . | . | trans | -156.7 | 161.4 | 178.4 | 89 | 0 | 0 | 0 | 0 | 111.2 | L2076 N2077 M2078 | S2074-L2076 VanDerWaalsContact C-N 3.28Å; S2074-L2076 PolarHBondContact O-N 2.97Å; S2074-L2076 PolarHBondContact OG-N 3.05Å; S2074-N2077 WeakPolarHBondContact O-CB 3.29Å; S2074-N2077 PolarHBondContact O-N 3.33Å; S2074-N2077 VanDerWaalsContact O-N 3.08Å; S2074-N2077 VanDerWaalsContact OG-CG 3.23Å; S2074-N2077 PolarHBondContact OG-N 2.97Å; S2074-N2077 PolarHBondContact OG-OD1 3.02Å; S2074-M2078 PolarHBondContact O-N 3.2Å | ||
| 2075 | V | 76.5 | Confident | 85.4 | Confident | 18 Ų | 18 | 31.7 Ų | 31.7 | 11% | 0.109 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.1 | -34.3 | 175.6 | -170.1 | 0 | 0 | 0 | 0 | 112.1 | N2077 M2078 S2079 A2221 Y2225 | V2075-N2077 PolarHBondContact O-N 2.86Å; V2075-M2078 HydrophobicContact CB-CE 4.12Å; V2075-M2078 HydrophobicContact CG1-CE 4.1Å; V2075-M2078 HydrophobicContact CG2-CE 3.89Å; V2075-M2078 WeakPolarHBondContact O-CB 3.44Å; V2075-M2078 PolarHBondContact O-N 2.96Å; V2075-S2079 PolarHBondContact O-N 3.49Å; V2075-S2079 PolarHBondContact O-OG 3.33Å; V2075-A2221 HydrophobicContact CB-CB 4.24Å; V2075-A2221 HydrophobicContact CG1-CB 3.88Å; V2075-A2221 HydrophobicContact CG2-CB 3.74Å; V2075-Y2225 HydrophobicContact CG2-CD2 3.29Å; V2075-Y2225 HydrophobicContact CG2-CE2 3.49Å; V2075-Y2225 VanDerWaalsContact CG2-CE2 3.49Å; V2075-Y2225 HydrophobicContact CG2-CG 3.92Å |
| 2076 | L | 78.7 | Confident | 85.7 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64 | -33 | 173.3 | -177.1 | 64.5 | 0 | 0 | 0 | 111.6 | Y1950 V2020 V2023 S2074 S2079 A2080 | Y1950-L2076 HydrophobicContact CD1-CD2 4.5Å; Y1950-L2076 HydrophobicContact CE1-CD2 3.96Å; V2020-L2076 HydrophobicContact CG1-CD2 4.14Å; V2023-L2076 HydrophobicContact CG1-CD1 3.94Å; V2023-L2076 HydrophobicContact CG1-CG 4.01Å; S2074-L2076 VanDerWaalsContact C-N 3.28Å; S2074-L2076 PolarHBondContact O-N 2.97Å; S2074-L2076 PolarHBondContact OG-N 3.05Å; L2076-S2079 PolarHBondContact O-N 2.85Å; L2076-S2079 PolarHBondContact O-OG 3.18Å; L2076-A2080 PolarHBondContact O-N 3.3Å |
| 2077 | N | 83.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -72.5 | -36 | 174.9 | -64.2 | 19.9 | 0 | 0 | 0 | 110.9 | F2019 V2020 F2067 L2070 S2071 S2074 V2075 S2079 A2080 | F2019-N2077 HydrophobicContact CD1-CB 4.42Å; F2019-N2077 HydrophobicContact CE1-CB 3.85Å; V2020-N2077 WeakPolarHBondContact CG2-OD1 3.31Å; F2067-N2077 VanDerWaalsContact CE2-O 3.26Å; F2067-N2077 WeakPolarHBondContact CE2-O 3.25Å; L2070-N2077 WeakPolarHBondContact O-CB 3.23Å; L2070-N2077 PolarHBondContact O-ND2 3.43Å; S2071-N2077 CarbonylContact O-C 3.48Å; S2071-N2077 WeakPolarHBondContact O-CB 3.49Å; S2074-N2077 WeakPolarHBondContact O-CB 3.29Å; S2074-N2077 PolarHBondContact O-N 3.33Å; S2074-N2077 VanDerWaalsContact O-N 3.08Å; S2074-N2077 VanDerWaalsContact OG-CG 3.23Å; S2074-N2077 PolarHBondContact OG-N 2.97Å; S2074-N2077 PolarHBondContact OG-OD1 3.02Å; V2075-N2077 PolarHBondContact O-N 2.86Å; N2077-S2079 VanDerWaalsContact C-N 3.32Å; N2077-S2079 PolarHBondContact O-N 2.95Å; N2077-A2080 WeakPolarHBondContact O-CB 3.42Å; N2077-A2080 PolarHBondContact O-N 2.85Å |
| 2078 | M | 85.3 | Confident | 86.3 | Confident | 74 Ų | 74 | 30 Ų | 30 | 37% | 0.365 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.2 | -33.9 | 173.2 | -67.5 | -167.9 | -74.3 | 0 | 0 | 112.6 | S2071 S2074 V2075 A2080 Y2225 | S2071-M2078 VanDerWaalsContact O-CG 3.29Å; S2071-M2078 WeakPolarHBondContact O-CG 3.45Å; S2071-M2078 PolarHBondContact O-N 3.34Å; S2074-M2078 PolarHBondContact O-N 3.2Å; V2075-M2078 HydrophobicContact CB-CE 4.12Å; V2075-M2078 HydrophobicContact CG1-CE 4.1Å; V2075-M2078 HydrophobicContact CG2-CE 3.89Å; V2075-M2078 WeakPolarHBondContact O-CB 3.44Å; V2075-M2078 PolarHBondContact O-N 2.96Å; M2078-A2080 VanDerWaalsContact C-N 3.33Å; M2078-Y2225 HydrophobicContact CE-CE2 4.01Å; M2078-Y2225 VanDerWaalsContact CE-OH 3.29Å; M2078-Y2225 WeakPolarHBondContact CE-OH 3.39Å |
| 2079 | S | 88.1 | Confident | 86.8 | Confident | 13 Ų | 13 | 28.5 Ų | 28.5 | 9% | 0.091 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 1.9 | 175.2 | 58.6 | 0 | 0 | 0 | 0 | 114.6 | V2075 L2076 N2077 L2081 F2082 H2083 S2218 | V2075-S2079 PolarHBondContact O-N 3.49Å; V2075-S2079 PolarHBondContact O-OG 3.33Å; L2076-S2079 PolarHBondContact O-N 2.85Å; L2076-S2079 PolarHBondContact O-OG 3.18Å; N2077-S2079 VanDerWaalsContact C-N 3.32Å; N2077-S2079 PolarHBondContact O-N 2.95Å; S2079-L2081 PolarHBondContact O-N 3.16Å; S2079-F2082 WeakPolarHBondContact O-CB 3.41Å; S2079-F2082 PolarHBondContact O-N 3.4Å; S2079-F2082 VanDerWaalsContact O-N 3.13Å; S2079-H2083 PolarHBondContact O-CD2 2.96Å; S2079-H2083 PolarHBondContact O-N 3.25Å; S2079-H2083 VanDerWaalsContact O-N 3.08Å; S2079-S2218 PolarHBondContact OG-OG 3.06Å |
| 2080 | A | 90.5 | Very high | 87.4 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.4 | -39.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F2019 V2023 V2063 F2067 L2076 N2077 M2078 H2083 A2084 | F2019-A2080 HydrophobicContact CE1-CB 4.17Å; F2019-A2080 HydrophobicContact CZ-CB 3.91Å; V2023-A2080 HydrophobicContact CG1-CB 4.28Å; V2023-A2080 HydrophobicContact CG2-CB 3.51Å; V2063-A2080 HydrophobicContact CG1-CB 3.86Å; F2067-A2080 HydrophobicContact CD2-CB 4.08Å; L2076-A2080 PolarHBondContact O-N 3.3Å; N2077-A2080 WeakPolarHBondContact O-CB 3.42Å; N2077-A2080 PolarHBondContact O-N 2.85Å; M2078-A2080 VanDerWaalsContact C-N 3.33Å; A2080-H2083 PolarHBondContact O-N 3.4Å; A2080-A2084 WeakPolarHBondContact O-CB 3.38Å; A2080-A2084 PolarHBondContact O-N 3.02Å |
| 2081 | L | 90.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.8 | -44.3 | 171.9 | -75.8 | -175.8 | 0 | 0 | 0 | 111.6 | L2064 F2067 S2079 H2083 A2084 F2085 L2129 L2136 M2139 V2140 | L2064-L2081 HydrophobicContact CD2-CD2 3.68Å; F2067-L2081 HydrophobicContact CB-CD2 4.3Å; F2067-L2081 HydrophobicContact CD1-CD1 3.68Å; F2067-L2081 HydrophobicContact CD1-CD2 4.11Å; F2067-L2081 HydrophobicContact CD1-CG 3.69Å; F2067-L2081 HydrophobicContact CD2-CD1 4.47Å; F2067-L2081 HydrophobicContact CD2-CD2 4.37Å; F2067-L2081 HydrophobicContact CD2-CG 3.73Å; F2067-L2081 HydrophobicContact CE1-CD1 3.35Å; F2067-L2081 HydrophobicContact CE1-CG 3.7Å; F2067-L2081 HydrophobicContact CE2-CB 4.28Å; F2067-L2081 HydrophobicContact CE2-CD1 4.19Å; F2067-L2081 HydrophobicContact CE2-CG 3.71Å; F2067-L2081 HydrophobicContact CG-CD1 4.23Å; F2067-L2081 HydrophobicContact CG-CD2 3.99Å; F2067-L2081 HydrophobicContact CG-CG 3.69Å; F2067-L2081 HydrophobicContact CZ-CB 4.43Å; F2067-L2081 HydrophobicContact CZ-CD1 3.63Å; F2067-L2081 HydrophobicContact CZ-CG 3.7Å; S2079-L2081 PolarHBondContact O-N 3.16Å; L2081-H2083 VanDerWaalsContact C-N 3.3Å; L2081-H2083 PolarHBondContact O-N 3.39Å; L2081-A2084 PolarHBondContact O-N 3.02Å; L2081-F2085 HydrophobicContact CB-CD2 4.43Å; L2081-F2085 HydrophobicContact CD2-CE2 4.19Å; L2081-F2085 VanDerWaalsContact O-CD2 3.3Å; L2081-F2085 WeakPolarHBondContact O-CD2 3.31Å; L2081-F2085 PolarHBondContact O-N 2.92Å; L2081-L2129 HydrophobicContact CD2-CD1 4.42Å; L2081-L2136 HydrophobicContact CD1-CD1 4.49Å; L2081-M2139 HydrophobicContact CD1-CB 4.44Å; L2081-V2140 HydrophobicContact CD1-CG2 3.72Å; L2081-V2140 HydrophobicContact CD2-CG2 4.4Å |
| 2082 | F | 92.9 | Very high | 88.1 | Confident | 27 Ų | 27 | 20.3 Ų | 20.3 | 12% | 0.118 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56.3 | -46.2 | 178.3 | 167.7 | -84.2 | 0 | 0 | 0 | 111.1 | S2079 H2086 K2210 I2211 V2214 | S2079-F2082 WeakPolarHBondContact O-CB 3.41Å; S2079-F2082 PolarHBondContact O-N 3.4Å; S2079-F2082 VanDerWaalsContact O-N 3.13Å; F2082-H2086 AromaticContact CD2-CE1 3.49Å; F2082-H2086 VanDerWaalsContact CD2-CE1 3.49Å; F2082-H2086 WeakPolarHBondContact CD2-CE1 3.49Å; F2082-H2086 AromaticContact CD2-ND1 3.69Å; F2082-H2086 AromaticContact CE1-ND1 3.94Å; F2082-H2086 AromaticContact CE2-CE1 3.12Å; F2082-H2086 WeakPolarHBondContact CE2-CE1 3.08Å; F2082-H2086 AromaticContact CE2-ND1 3.57Å; F2082-H2086 AromaticContact CE2-NE2 3.92Å; F2082-H2086 AromaticContact CG-ND1 3.93Å; F2082-H2086 AromaticContact CZ-CE1 3.55Å; F2082-H2086 AromaticContact CZ-ND1 3.68Å; F2082-H2086 PolarHBondContact O-N 3.27Å; F2082-H2086 VanDerWaalsContact O-N 3.09Å; F2082-H2086 PolarHBondContact O-ND1 2.87Å; F2082-K2210 HydrophobicContact CZ-CB 4.17Å; F2082-I2211 HydrophobicContact CE1-CG1 4.13Å; F2082-I2211 HydrophobicContact CZ-CG1 4.36Å; F2082-V2214 HydrophobicContact CD1-CB 4.09Å; F2082-V2214 HydrophobicContact CD1-CG1 3.76Å; F2082-V2214 HydrophobicContact CD1-CG2 4.08Å; F2082-V2214 HydrophobicContact CD2-CG2 4.22Å; F2082-V2214 HydrophobicContact CE1-CB 3.71Å; F2082-V2214 HydrophobicContact CE1-CG1 3.91Å; F2082-V2214 HydrophobicContact CE1-CG2 3.68Å; F2082-V2214 HydrophobicContact CE2-CG2 3.81Å; F2082-V2214 HydrophobicContact CG-CG1 4.38Å; F2082-V2214 HydrophobicContact CG-CG2 4.35Å; F2082-V2214 HydrophobicContact CZ-CB 4.06Å; F2082-V2214 HydrophobicContact CZ-CG2 3.54Å |
| 2083 | H | 93.5 | Very high | 88.7 | Confident | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -70.5 | -39.9 | 179.3 | -68 | -60 | 0 | 0 | 0 | 112.8 | V2026 R2027 S2079 A2080 L2081 H2086 L2087 | V2026-H2083 HydrophobicContact CG1-CB 4.06Å; R2027-H2083 HydrophobicContact CG-CB 4.04Å; R2027-H2083 VanDerWaalsContact CG-CG 3.5Å; S2079-H2083 PolarHBondContact O-CD2 2.96Å; S2079-H2083 PolarHBondContact O-N 3.25Å; S2079-H2083 VanDerWaalsContact O-N 3.08Å; A2080-H2083 PolarHBondContact O-N 3.4Å; L2081-H2083 VanDerWaalsContact C-N 3.3Å; L2081-H2083 PolarHBondContact O-N 3.39Å; H2083-H2086 PolarHBondContact O-N 2.88Å; H2083-L2087 WeakPolarHBondContact O-CB 3.31Å; H2083-L2087 PolarHBondContact O-N 2.76Å |
| 2084 | A | 93.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 8.7 Ų | 8.7 | 1% | 0.008 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -60.1 | -47.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V2063 A2080 L2081 L2087 C2088 | V2063-A2084 HydrophobicContact CG1-CB 4.15Å; A2080-A2084 WeakPolarHBondContact O-CB 3.38Å; A2080-A2084 PolarHBondContact O-N 3.02Å; L2081-A2084 PolarHBondContact O-N 3.02Å; A2084-L2087 PolarHBondContact O-N 3.07Å; A2084-C2088 PolarHBondContact O-N 2.89Å; A2084-C2088 PolarHBondContact O-SG 3.39Å |
| 2085 | F | 94.1 | Very high | 89.6 | Confident | 3 Ų | 3 | 7.2 Ų | 7.2 | 1% | 0.013 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -70.6 | -30.6 | 179.9 | -80.3 | -69.7 | 0 | 0 | 0 | 113.8 | L2064 L2081 C2088 Q2089 I2126 V2140 H2143 F2144 A2147 | L2064-F2085 HydrophobicContact CD2-CE2 4.46Å; L2081-F2085 HydrophobicContact CB-CD2 4.43Å; L2081-F2085 HydrophobicContact CD2-CE2 4.19Å; L2081-F2085 VanDerWaalsContact O-CD2 3.3Å; L2081-F2085 WeakPolarHBondContact O-CD2 3.31Å; L2081-F2085 PolarHBondContact O-N 2.92Å; F2085-C2088 PolarHBondContact O-N 2.91Å; F2085-Q2089 WeakPolarHBondContact O-CG 3.43Å; F2085-Q2089 PolarHBondContact O-N 2.84Å; F2085-Q2089 VanDerWaalsContact O-N 3.1Å; F2085-Q2089 PolarHBondContact O-NE2 3.49Å; F2085-I2126 HydrophobicContact CE1-CD1 3.84Å; F2085-I2126 HydrophobicContact CE1-CG1 4.49Å; F2085-I2126 HydrophobicContact CZ-CD1 4.12Å; F2085-I2126 HydrophobicContact CZ-CG1 4.3Å; F2085-V2140 HydrophobicContact CE2-CG1 4.5Å; F2085-V2140 HydrophobicContact CZ-CG1 4.23Å; F2085-H2143 HydrophobicContact CB-CB 4.25Å; F2085-H2143 HydrophobicContact CD2-CB 3.29Å; F2085-H2143 HydrophobicContact CE2-CB 3.75Å; F2085-H2143 HydrophobicContact CG-CB 3.89Å; F2085-F2144 HydrophobicContact CE1-CB 3.98Å; F2085-F2144 AromaticContact CE1-CD2 3.86Å; F2085-F2144 HydrophobicContact CE1-CD2 3.86Å; F2085-F2144 HydrophobicContact CE1-CG 4.43Å; F2085-F2144 HydrophobicContact CZ-CB 4.16Å; F2085-A2147 HydrophobicContact CB-CB 4.44Å; F2085-A2147 HydrophobicContact CD1-CB 4.21Å |
| 2086 | H | 94 | Very high | 89.9 | Confident | 6 Ų | 6 | 6.6 Ų | 6.6 | 3% | 0.028 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -73 | -34.5 | 170.7 | -75.1 | 83.4 | 0 | 0 | 0 | 112.1 | F2082 H2083 C2088 Q2089 L2090 I2211 | F2082-H2086 AromaticContact CD2-CE1 3.49Å; F2082-H2086 VanDerWaalsContact CD2-CE1 3.49Å; F2082-H2086 WeakPolarHBondContact CD2-CE1 3.49Å; F2082-H2086 AromaticContact CD2-ND1 3.69Å; F2082-H2086 AromaticContact CE1-ND1 3.94Å; F2082-H2086 AromaticContact CE2-CE1 3.12Å; F2082-H2086 WeakPolarHBondContact CE2-CE1 3.08Å; F2082-H2086 AromaticContact CE2-ND1 3.57Å; F2082-H2086 AromaticContact CE2-NE2 3.92Å; F2082-H2086 AromaticContact CG-ND1 3.93Å; F2082-H2086 AromaticContact CZ-CE1 3.55Å; F2082-H2086 AromaticContact CZ-ND1 3.68Å; F2082-H2086 PolarHBondContact O-N 3.27Å; F2082-H2086 VanDerWaalsContact O-N 3.09Å; F2082-H2086 PolarHBondContact O-ND1 2.87Å; H2083-H2086 PolarHBondContact O-N 2.88Å; H2086-C2088 VanDerWaalsContact C-N 3.32Å; H2086-C2088 PolarHBondContact O-N 3.47Å; H2086-Q2089 WeakPolarHBondContact O-CB 3.26Å; H2086-Q2089 PolarHBondContact O-N 3.32Å; H2086-L2090 WeakPolarHBondContact O-CB 3.22Å; H2086-L2090 VanDerWaalsContact O-CG 3.29Å; H2086-L2090 WeakPolarHBondContact O-CG 3.49Å; H2086-L2090 PolarHBondContact O-N 2.88Å; H2086-I2211 HydrophobicContact CB-CD1 4.25Å |
| 2087 | L | 94.9 | Very high | 90 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -62.3 | -41 | 170.2 | -179.8 | 57.7 | 0 | 0 | 0 | 111.1 | V2026 L2029 L2033 I2056 I2060 H2083 A2084 Q2089 L2090 W2091 | V2026-L2087 HydrophobicContact CB-CD2 4.1Å; V2026-L2087 HydrophobicContact CG1-CB 4.07Å; V2026-L2087 HydrophobicContact CG1-CD2 3.76Å; V2026-L2087 HydrophobicContact CG2-CD2 3.98Å; L2029-L2087 HydrophobicContact CB-CD1 3.68Å; L2029-L2087 HydrophobicContact CB-CD2 4.14Å; L2029-L2087 HydrophobicContact CD1-CD2 3.87Å; L2033-L2087 HydrophobicContact CD1-CD1 3.48Å; L2033-L2087 VanDerWaalsContact CD1-CD1 3.48Å; I2056-L2087 HydrophobicContact CG2-CD2 4Å; I2056-L2087 HydrophobicContact CG2-CG 4.31Å; I2060-L2087 HydrophobicContact CD1-CD2 4.06Å; I2060-L2087 HydrophobicContact CD1-CG 4.19Å; I2060-L2087 HydrophobicContact CG1-CD2 4.14Å; H2083-L2087 WeakPolarHBondContact O-CB 3.31Å; H2083-L2087 PolarHBondContact O-N 2.76Å; A2084-L2087 PolarHBondContact O-N 3.07Å; L2087-Q2089 PolarHBondContact O-N 3.25Å; L2087-L2090 PolarHBondContact O-N 2.81Å; L2087-W2091 WeakPolarHBondContact O-CB 2.88Å; L2087-W2091 PolarHBondContact O-N 3.45Å |
| 2088 | C | 94.1 | Very high | 89.6 | Confident | 2 Ų | 2 | 7.6 Ų | 7.6 | 1% | 0.014 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -59.3 | -44.4 | 173.2 | -67.8 | 0 | 0 | 0 | 0 | 113 | A2084 F2085 H2086 T2092 F2118 W2119 | A2084-C2088 PolarHBondContact O-N 2.89Å; A2084-C2088 PolarHBondContact O-SG 3.39Å; F2085-C2088 PolarHBondContact O-N 2.91Å; H2086-C2088 VanDerWaalsContact C-N 3.32Å; H2086-C2088 PolarHBondContact O-N 3.47Å; C2088-T2092 WeakPolarHBondContact O-CB 3.46Å; C2088-T2092 PolarHBondContact O-N 3.19Å; C2088-T2092 VanDerWaalsContact O-N 3.09Å; C2088-T2092 PolarHBondContact O-OG1 3.25Å; C2088-F2118 HydrophobicContact CB-CE1 4.37Å; C2088-W2119 HydrophobicContact CB-CH2 3.51Å; C2088-W2119 HydrophobicContact CB-CZ2 3.57Å; C2088-W2119 HydrophobicContact CB-CZ3 4.44Å |
| 2089 | Q | 92 | Very high | 88.9 | Confident | 1 Ų | 1 | 4.7 Ų | 4.7 | 1% | 0.005 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -59.7 | -54.6 | 175 | -70.6 | 162.8 | 57.1 | 0 | 0 | 110.8 | F2085 H2086 L2087 W2091 T2092 I2093 A2147 W2203 | F2085-Q2089 WeakPolarHBondContact O-CG 3.43Å; F2085-Q2089 PolarHBondContact O-N 2.84Å; F2085-Q2089 VanDerWaalsContact O-N 3.1Å; F2085-Q2089 PolarHBondContact O-NE2 3.49Å; H2086-Q2089 WeakPolarHBondContact O-CB 3.26Å; H2086-Q2089 PolarHBondContact O-N 3.32Å; L2087-Q2089 PolarHBondContact O-N 3.25Å; Q2089-W2091 PolarHBondContact O-N 2.67Å; Q2089-T2092 PolarHBondContact O-N 3.13Å; Q2089-I2093 PolarHBondContact O-N 3.36Å; Q2089-A2147 HydrophobicContact CG-CB 3.75Å; Q2089-W2203 HydrophobicContact CB-CZ2 4.38Å |
| 2090 | L | 93.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -61.5 | -42.3 | -177.5 | -71.6 | 165.9 | 0 | 0 | 0 | 111.8 | L2033 I2034 L2037 H2086 L2087 T2092 Y2094 W2203 L2204 I2207 I2211 | L2033-L2090 HydrophobicContact CB-CB 4.12Å; L2033-L2090 HydrophobicContact CD1-CB 3.97Å; I2034-L2090 HydrophobicContact CD1-CD1 4.01Å; I2034-L2090 HydrophobicContact CG1-CD1 3.82Å; I2034-L2090 HydrophobicContact CG1-CD2 3.64Å; I2034-L2090 HydrophobicContact CG1-CG 4.41Å; L2037-L2090 HydrophobicContact CD1-CD2 3.89Å; H2086-L2090 WeakPolarHBondContact O-CB 3.22Å; H2086-L2090 VanDerWaalsContact O-CG 3.29Å; H2086-L2090 WeakPolarHBondContact O-CG 3.49Å; H2086-L2090 PolarHBondContact O-N 2.88Å; L2087-L2090 PolarHBondContact O-N 2.81Å; L2090-T2092 VanDerWaalsContact C-N 3.35Å; L2090-T2092 PolarHBondContact O-N 3.25Å; L2090-Y2094 WeakPolarHBondContact O-CB 3.25Å; L2090-Y2094 PolarHBondContact O-N 3.45Å; L2090-W2203 HydrophobicContact CD2-CH2 4.06Å; L2090-W2203 HydrophobicContact CD2-CZ3 3.97Å; L2090-L2204 HydrophobicContact CD2-CD2 4.43Å; L2090-I2207 HydrophobicContact CD1-CG2 4.29Å; L2090-I2207 HydrophobicContact CD2-CG2 4.28Å; L2090-I2207 HydrophobicContact CG-CG2 4.48Å; L2090-I2211 HydrophobicContact CD1-CD1 4.26Å |
| 2091 | W | 92.4 | Very high | 87 | Confident | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -64.6 | -38.5 | 177.1 | -174.2 | -110.6 | 0 | 0 | 0 | 112.3 | L2033 I2048 I2056 L2087 Q2089 Y2094 C2095 F2118 | L2033-W2091 HydrophobicContact CD1-CB 4.4Å; L2033-W2091 HydrophobicContact CD1-CE3 4.09Å; L2033-W2091 HydrophobicContact CD2-CE3 3.99Å; L2033-W2091 HydrophobicContact CD2-CZ3 4.19Å; I2048-W2091 HydrophobicContact CB-CH2 4.47Å; I2048-W2091 HydrophobicContact CB-CZ3 4Å; I2048-W2091 HydrophobicContact CG2-CH2 3.87Å; I2048-W2091 HydrophobicContact CG2-CZ3 3.69Å; I2056-W2091 HydrophobicContact CD1-CD2 3.81Å; I2056-W2091 HydrophobicContact CD1-CE3 3.53Å; I2056-W2091 HydrophobicContact CD1-CH2 3.5Å; I2056-W2091 HydrophobicContact CD1-CZ2 3.78Å; I2056-W2091 HydrophobicContact CD1-CZ3 3.37Å; L2087-W2091 WeakPolarHBondContact O-CB 2.88Å; L2087-W2091 PolarHBondContact O-N 3.45Å; Q2089-W2091 PolarHBondContact O-N 2.67Å; W2091-Y2094 AromaticContact CE3-CD1 3.85Å; W2091-Y2094 HydrophobicContact CE3-CD1 3.85Å; W2091-Y2094 HydrophobicContact CE3-CE1 4.38Å; W2091-Y2094 HydrophobicContact CH2-CD1 4.31Å; W2091-Y2094 HydrophobicContact CH2-CE1 4.18Å; W2091-Y2094 AromaticContact CZ3-CD1 3.64Å; W2091-Y2094 HydrophobicContact CZ3-CD1 3.64Å; W2091-Y2094 AromaticContact CZ3-CE1 3.7Å; W2091-Y2094 HydrophobicContact CZ3-CE1 3.7Å; W2091-C2095 VanDerWaalsContact CE2-SG 3.58Å; W2091-C2095 WeakPolarHBondContact O-CB 2.96Å; W2091-C2095 PolarHBondContact O-N 2.84Å; W2091-C2095 PolarHBondContact O-SG 3.38Å; W2091-F2118 HydrophobicContact CB-CZ 4.19Å; W2091-F2118 AromaticContact CD1-CD1 3.81Å; W2091-F2118 AromaticContact CD1-CD2 3.53Å; W2091-F2118 AromaticContact CD1-CE1 3.74Å; W2091-F2118 AromaticContact CD1-CE2 3.47Å; W2091-F2118 VanDerWaalsContact CD1-CE2 3.47Å; W2091-F2118 AromaticContact CD1-CG 3.69Å; W2091-F2118 AromaticContact CD1-CZ 3.56Å; W2091-F2118 HydrophobicContact CG-CE1 4.49Å; W2091-F2118 HydrophobicContact CG-CE2 4.15Å; W2091-F2118 HydrophobicContact CG-CZ 4.09Å; W2091-F2118 AromaticContact NE1-CD2 3.65Å; W2091-F2118 AromaticContact NE1-CE2 3.95Å; W2091-F2118 AromaticContact NE1-CG 3.94Å |
| 2092 | T | 90.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.7 | -52 | 176.7 | -56 | 0 | 0 | 0 | 0 | 110.6 | C2088 Q2089 L2090 Y2094 C2095 E2096 V2115 W2119 L2151 L2162 | C2088-T2092 WeakPolarHBondContact O-CB 3.46Å; C2088-T2092 PolarHBondContact O-N 3.19Å; C2088-T2092 VanDerWaalsContact O-N 3.09Å; C2088-T2092 PolarHBondContact O-OG1 3.25Å; Q2089-T2092 PolarHBondContact O-N 3.13Å; L2090-T2092 VanDerWaalsContact C-N 3.35Å; L2090-T2092 PolarHBondContact O-N 3.25Å; T2092-Y2094 VanDerWaalsContact C-N 3.33Å; T2092-Y2094 PolarHBondContact O-N 3.36Å; T2092-C2095 PolarHBondContact O-N 2.91Å; T2092-E2096 WeakPolarHBondContact O-CG 3.25Å; T2092-E2096 PolarHBondContact O-N 3.39Å; T2092-V2115 HydrophobicContact CG2-CG1 4.17Å; T2092-W2119 PolarHBondContact OG1-NE1 3.47Å; T2092-L2151 HydrophobicContact CG2-CD1 4.33Å; T2092-L2151 HydrophobicContact CG2-CD2 3.87Å; T2092-L2162 HydrophobicContact CG2-CD1 4.16Å |
| 2093 | I | 89 | Confident | 83.8 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.6 | -35.1 | 178.1 | -60.3 | -55.6 | 0 | 0 | 0 | 112.1 | L2037 Q2089 E2096 E2097 L2151 A2154 L2200 W2203 | L2037-I2093 HydrophobicContact CD1-CG2 4.48Å; L2037-I2093 HydrophobicContact CD2-CG2 3.99Å; Q2089-I2093 PolarHBondContact O-N 3.36Å; I2093-E2096 CarbonylContact O-C 3.54Å; I2093-E2096 WeakPolarHBondContact O-CB 3.41Å; I2093-E2096 PolarHBondContact O-N 3.29Å; I2093-E2097 PolarHBondContact O-N 3.34Å; I2093-L2151 HydrophobicContact CD1-CD2 3.66Å; I2093-L2151 HydrophobicContact CG1-CD2 3.79Å; I2093-A2154 HydrophobicContact CD1-CB 3.58Å; I2093-A2154 HydrophobicContact CG1-CB 3.89Å; I2093-L2200 HydrophobicContact CG2-CD1 3.61Å; I2093-L2200 HydrophobicContact CG2-CD2 4.19Å; I2093-W2203 HydrophobicContact CB-CH2 3.98Å; I2093-W2203 HydrophobicContact CB-CZ3 4.21Å; I2093-W2203 HydrophobicContact CG1-CH2 3.55Å; I2093-W2203 HydrophobicContact CG1-CZ2 3.99Å; I2093-W2203 HydrophobicContact CG1-CZ3 4.14Å; I2093-W2203 HydrophobicContact CG2-CH2 4.34Å; I2093-W2203 HydrophobicContact CG2-CZ3 4.09Å |
| 2094 | Y | 88.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.3 | -45.6 | 175.2 | 174.8 | -94.5 | 0 | 0 | 0 | 112.7 | L2033 L2037 F2044 M2046 A2047 I2048 L2090 W2091 T2092 E2096 E2097 T2098 | L2033-Y2094 HydrophobicContact CD2-CD1 3.76Å; L2033-Y2094 HydrophobicContact CD2-CD2 3.55Å; L2033-Y2094 HydrophobicContact CD2-CE1 4.14Å; L2033-Y2094 HydrophobicContact CD2-CE2 3.96Å; L2033-Y2094 HydrophobicContact CD2-CG 3.46Å; L2033-Y2094 VanDerWaalsContact CD2-CG 3.46Å; L2037-Y2094 HydrophobicContact CG-CD2 4.45Å; F2044-Y2094 HydrophobicContact CE1-CE2 4.12Å; F2044-Y2094 HydrophobicContact CE2-CD2 4.05Å; F2044-Y2094 HydrophobicContact CE2-CE2 4.19Å; F2044-Y2094 AromaticContact CZ-CD2 3.47Å; F2044-Y2094 HydrophobicContact CZ-CD2 3.47Å; F2044-Y2094 VanDerWaalsContact CZ-CD2 3.47Å; F2044-Y2094 AromaticContact CZ-CE2 3.42Å; F2044-Y2094 HydrophobicContact CZ-CE2 3.42Å; F2044-Y2094 VanDerWaalsContact CZ-CE2 3.42Å; F2044-Y2094 HydrophobicContact CZ-CG 4.19Å; M2046-Y2094 VanDerWaalsContact CA-OH 3.23Å; M2046-Y2094 WeakPolarHBondContact CA-OH 3.28Å; M2046-Y2094 VanDerWaalsContact CG-OH 3.28Å; M2046-Y2094 WeakPolarHBondContact CG-OH 3.41Å; A2047-Y2094 PolarHBondContact N-OH 3.42Å; A2047-Y2094 VanDerWaalsContact N-OH 3.12Å; I2048-Y2094 HydrophobicContact CB-CE1 4.39Å; I2048-Y2094 PolarHBondContact N-OH 3.34Å; I2048-Y2094 VanDerWaalsContact O-CE1 3.28Å; I2048-Y2094 WeakPolarHBondContact O-CE1 3.3Å; I2048-Y2094 PolarHBondContact O-OH 3.22Å; L2090-Y2094 WeakPolarHBondContact O-CB 3.25Å; L2090-Y2094 PolarHBondContact O-N 3.45Å; W2091-Y2094 AromaticContact CE3-CD1 3.85Å; W2091-Y2094 HydrophobicContact CE3-CD1 3.85Å; W2091-Y2094 HydrophobicContact CE3-CE1 4.38Å; W2091-Y2094 HydrophobicContact CH2-CD1 4.31Å; W2091-Y2094 HydrophobicContact CH2-CE1 4.18Å; W2091-Y2094 AromaticContact CZ3-CD1 3.64Å; W2091-Y2094 HydrophobicContact CZ3-CD1 3.64Å; W2091-Y2094 AromaticContact CZ3-CE1 3.7Å; W2091-Y2094 HydrophobicContact CZ3-CE1 3.7Å; T2092-Y2094 VanDerWaalsContact C-N 3.33Å; T2092-Y2094 PolarHBondContact O-N 3.36Å; Y2094-E2096 VanDerWaalsContact C-N 3.29Å; Y2094-E2096 PolarHBondContact O-N 2.77Å; Y2094-E2097 PolarHBondContact O-N 3.09Å; Y2094-T2098 PolarHBondContact O-N 2.8Å; Y2094-T2098 VanDerWaalsContact O-N 3.11Å; Y2094-T2098 PolarHBondContact O-OG1 3.33Å |
| 2095 | C | 85.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.5 | -41.2 | 172.1 | -67.5 | 0 | 0 | 0 | 0 | 110.7 | W2091 T2092 T2098 L2099 V2115 | W2091-C2095 VanDerWaalsContact CE2-SG 3.58Å; W2091-C2095 WeakPolarHBondContact O-CB 2.96Å; W2091-C2095 PolarHBondContact O-N 2.84Å; W2091-C2095 PolarHBondContact O-SG 3.38Å; T2092-C2095 PolarHBondContact O-N 2.91Å; C2095-T2098 WeakPolarHBondContact O-CA 3.35Å; C2095-T2098 VanDerWaalsContact O-CB 3.3Å; C2095-T2098 WeakPolarHBondContact O-CB 3.26Å; C2095-T2098 PolarHBondContact O-N 2.84Å; C2095-T2098 VanDerWaalsContact O-N 3.16Å; C2095-L2099 WeakPolarHBondContact O-CG 3.5Å; C2095-L2099 PolarHBondContact O-N 3.21Å; C2095-L2099 VanDerWaalsContact O-N 3.08Å; C2095-V2115 HydrophobicContact CB-CG2 3.19Å |
| 2096 | E | 82.1 | Confident | 79.1 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.019 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.6 | -44.1 | 175.1 | -74.8 | -176 | -172.7 | 0 | 0 | 114.2 | T2092 I2093 Y2094 T2098 L2099 L2100 S2156 V2157 V2158 R2198 | T2092-E2096 WeakPolarHBondContact O-CG 3.25Å; T2092-E2096 PolarHBondContact O-N 3.39Å; I2093-E2096 CarbonylContact O-C 3.54Å; I2093-E2096 WeakPolarHBondContact O-CB 3.41Å; I2093-E2096 PolarHBondContact O-N 3.29Å; Y2094-E2096 VanDerWaalsContact C-N 3.29Å; Y2094-E2096 PolarHBondContact O-N 2.77Å; E2096-T2098 PolarHBondContact O-N 3.13Å; E2096-L2099 HydrophobicContact CG-CD1 4.45Å; E2096-L2099 WeakPolarHBondContact O-CA 3.12Å; E2096-L2099 WeakPolarHBondContact O-CB 3.35Å; E2096-L2099 PolarHBondContact O-N 3.08Å; E2096-L2100 PolarHBondContact O-N 3.45Å; E2096-L2100 VanDerWaalsContact O-N 3.16Å; E2096-S2156 WeakPolarHBondContact OE1-CA 3.35Å; E2096-S2156 WeakPolarHBondContact OE1-CB 3.3Å; E2096-S2156 PolarHBondContact OE1-OG 3.41Å; E2096-S2156 WeakPolarHBondContact OE2-CA 3.44Å; E2096-V2157 PolarHBondContact OE1-N 3.34Å; E2096-V2157 PolarHBondContact OE2-N 3.37Å; E2096-V2158 HydrophobicContact CG-CB 4.36Å; E2096-V2158 HydrophobicContact CG-CG2 3.67Å; E2096-V2158 WeakPolarHBondContact OE1-CB 3.23Å; E2096-V2158 WeakPolarHBondContact OE1-CG2 3.43Å; E2096-V2158 PolarHBondContact OE1-N 3.32Å; E2096-R2198 IonicContact OE2-CZ 2.72Å; E2096-R2198 IonicContact OE2-NH1 3.65Å; E2096-R2198 PolarHBondContact OE2-NH1 3.36Å; E2096-R2198 IonicContact OE2-NH2 3.81Å |
| 2097 | E | 80.3 | Confident | 77.7 | Confident | 17 Ų | 17 | 32 Ų | 32 | 8% | 0.079 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.7 | -36 | 173.7 | -81.8 | -51.6 | 142.7 | 0 | 0 | 111.3 | L2037 F2044 I2093 Y2094 L2099 L2100 H2101 R2198 L2200 | L2037-E2097 HydrophobicContact CD2-CB 4.2Å; L2037-E2097 HydrophobicContact CD2-CG 3.58Å; F2044-E2097 HydrophobicContact CD2-CB 3.63Å; F2044-E2097 HydrophobicContact CD2-CG 4.22Å; F2044-E2097 HydrophobicContact CE1-CB 4.28Å; F2044-E2097 HydrophobicContact CE2-CB 3.34Å; F2044-E2097 HydrophobicContact CE2-CG 4.03Å; F2044-E2097 HydrophobicContact CG-CB 4.19Å; F2044-E2097 HydrophobicContact CZ-CB 3.67Å; I2093-E2097 PolarHBondContact O-N 3.34Å; Y2094-E2097 PolarHBondContact O-N 3.09Å; E2097-L2099 PolarHBondContact O-N 3.14Å; E2097-L2100 PolarHBondContact O-N 3.28Å; E2097-H2101 PolarHBondContact O-N 2.96Å; E2097-H2101 IonicContact OE2-CD2 2.68Å; E2097-H2101 PolarHBondContact OE2-CD2 3.17Å; E2097-H2101 IonicContact OE2-NE2 3.76Å; E2097-R2198 VanDerWaalsContact CD-NH2 3.33Å; E2097-R2198 IonicContact OE1-CZ 2.77Å; E2097-R2198 IonicContact OE1-NE 3.76Å; E2097-R2198 PolarHBondContact OE1-NE 3.43Å; E2097-R2198 IonicContact OE1-NH2 3.67Å; E2097-R2198 PolarHBondContact OE1-NH2 3Å; E2097-L2200 HydrophobicContact CG-CD1 3.88Å; E2097-L2200 VanDerWaalsContact OE1-CD1 3.26Å; E2097-L2200 WeakPolarHBondContact OE1-CD1 3.28Å |
| 2098 | T | 75 | Confident | 76.2 | Confident | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64 | -30.3 | 173.4 | -36.5 | 0 | 0 | 0 | 0 | 112.2 | F2044 M2046 I2050 Y2094 C2095 E2096 L2100 S2102 | F2044-T2098 HydrophobicContact CE1-CG2 4.24Å; F2044-T2098 VanDerWaalsContact CE1-OG1 3.23Å; F2044-T2098 WeakPolarHBondContact CE1-OG1 3.48Å; M2046-T2098 HydrophobicContact CE-CG2 3.73Å; M2046-T2098 HydrophobicContact CG-CG2 4.34Å; M2046-T2098 HydrophobicContact SD-CG2 4.22Å; I2050-T2098 HydrophobicContact CD1-CG2 3.49Å; I2050-T2098 VanDerWaalsContact CD1-CG2 3.49Å; I2050-T2098 HydrophobicContact CG1-CG2 4.37Å; Y2094-T2098 PolarHBondContact O-N 2.8Å; Y2094-T2098 VanDerWaalsContact O-N 3.11Å; Y2094-T2098 PolarHBondContact O-OG1 3.33Å; C2095-T2098 WeakPolarHBondContact O-CA 3.35Å; C2095-T2098 VanDerWaalsContact O-CB 3.3Å; C2095-T2098 WeakPolarHBondContact O-CB 3.26Å; C2095-T2098 PolarHBondContact O-N 2.84Å; C2095-T2098 VanDerWaalsContact O-N 3.16Å; E2096-T2098 PolarHBondContact O-N 3.13Å; T2098-L2100 VanDerWaalsContact C-N 3.34Å; T2098-S2102 VanDerWaalsContact O-CB 3.29Å; T2098-S2102 WeakPolarHBondContact O-CB 2.89Å; T2098-S2102 PolarHBondContact O-N 3.45Å |
| 2099 | L | 71.4 | Confident | 75.1 | Confident | 13 Ų | 13 | 45 Ų | 45 | 7% | 0.068 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.6 | -21.2 | 172.1 | -56.5 | 175.2 | 0 | 0 | 0 | 114.3 | C2095 E2096 E2097 R2108 A2111 I2112 V2158 | C2095-L2099 WeakPolarHBondContact O-CG 3.5Å; C2095-L2099 PolarHBondContact O-N 3.21Å; C2095-L2099 VanDerWaalsContact O-N 3.08Å; E2096-L2099 HydrophobicContact CG-CD1 4.45Å; E2096-L2099 WeakPolarHBondContact O-CA 3.12Å; E2096-L2099 WeakPolarHBondContact O-CB 3.35Å; E2096-L2099 PolarHBondContact O-N 3.08Å; E2097-L2099 PolarHBondContact O-N 3.14Å; L2099-R2108 HydrophobicContact CB-CG 4.25Å; L2099-R2108 HydrophobicContact CD2-CB 4.28Å; L2099-R2108 HydrophobicContact CD2-CG 3.73Å; L2099-R2108 WeakPolarHBondContact CD2-O 3.34Å; L2099-R2108 PolarHBondContact O-NE 2.87Å; L2099-R2108 VanDerWaalsContact O-NE 3.09Å; L2099-R2108 PolarHBondContact O-NH2 2.8Å; L2099-A2111 HydrophobicContact CD2-CB 3.31Å; L2099-A2111 HydrophobicContact CG-CB 4.08Å; L2099-I2112 HydrophobicContact CD1-CD1 4.13Å; L2099-I2112 HydrophobicContact CD1-CG1 3.44Å; L2099-I2112 VanDerWaalsContact CD1-CG1 3.44Å; L2099-I2112 HydrophobicContact CD2-CD1 4.43Å; L2099-I2112 HydrophobicContact CD2-CG1 3.79Å; L2099-I2112 HydrophobicContact CG-CG1 4.29Å; L2099-V2158 HydrophobicContact CD1-CG2 4.27Å |
| 2100 | L | 70.2 | Confident | 74 | Confident | 62 Ų | 62 | 50.6 Ų | 50.6 | 33% | 0.325 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -91.4 | -41 | -179.2 | -64.9 | 177.2 | 0 | 0 | 0 | 111.3 | E2096 E2097 T2098 A2195 | E2096-L2100 PolarHBondContact O-N 3.45Å; E2096-L2100 VanDerWaalsContact O-N 3.16Å; E2097-L2100 PolarHBondContact O-N 3.28Å; T2098-L2100 VanDerWaalsContact C-N 3.34Å; L2100-A2195 HydrophobicContact CD1-CB 3.94Å; L2100-A2195 HydrophobicContact CD2-CB 3.85Å |
| 2101 | H | 67.8 | Low | 73.1 | Confident | 93 Ų | 93 | 50.6 Ų | 50.6 | 43% | 0.431 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -87.5 | -14 | -178.1 | -79 | -90.1 | 0 | 0 | 0 | 115.2 | S2042 F2044 E2097 | S2042-H2101 PolarHBondContact O-ND1 3.4Å; F2044-H2101 HydrophobicContact CB-CB 3.73Å; F2044-H2101 VanDerWaalsContact CB-CD2 3.45Å; F2044-H2101 WeakPolarHBondContact CB-CD2 3.16Å; F2044-H2101 HydrophobicContact CG-CB 4.48Å; E2097-H2101 PolarHBondContact O-N 2.96Å; E2097-H2101 IonicContact OE2-CD2 2.68Å; E2097-H2101 PolarHBondContact OE2-CD2 3.17Å; E2097-H2101 IonicContact OE2-NE2 3.76Å |
| 2102 | S | 62.8 | Low | 72.3 | Confident | 46 Ų | 46 | 52.2 Ų | 52.2 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | trans | -83.5 | 123.7 | 175.7 | -170.5 | 0 | 0 | 0 | 0 | 112.9 | T2098 N2104 S2107 | T2098-S2102 VanDerWaalsContact O-CB 3.29Å; T2098-S2102 WeakPolarHBondContact O-CB 2.89Å; T2098-S2102 PolarHBondContact O-N 3.45Å; S2102-N2104 VanDerWaalsContact C-N 3.25Å; S2102-N2104 PolarHBondContact O-N 3.14Å; S2102-N2104 PolarHBondContact OG-N 2.92Å; S2102-S2107 WeakPolarHBondContact CB-OG 3.33Å; S2102-S2107 PolarHBondContact OG-OG 3.45Å | ||
| 2103 | C | 54.9 | Low | 71.9 | Confident | 130 Ų | 130 | 55 Ų | 55 | 88% | 0.878 | 31% | 0.307 | S | S | * | . | trans | -71.6 | -13.8 | 175.7 | -63 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 2104 | N | 55.9 | Low | 71.6 | Confident | 107 Ų | 107 | 55.8 Ų | 55.8 | 57% | 0.572 | 31% | 0.312 | S | S | * | . | trans | -96.8 | 122.5 | -173.2 | -74.3 | -12.2 | 0 | 0 | 0 | 112 | S2102 S2106 S2107 R2108 | S2102-N2104 VanDerWaalsContact C-N 3.25Å; S2102-N2104 PolarHBondContact O-N 3.14Å; S2102-N2104 PolarHBondContact OG-N 2.92Å; N2104-S2106 VanDerWaalsContact C-N 3.28Å; N2104-S2106 PolarHBondContact O-N 3.27Å; N2104-S2107 PolarHBondContact O-N 2.69Å; N2104-S2107 PolarHBondContact O-OG 2.87Å; N2104-R2108 PolarHBondContact O-N 2.89Å | ||
| 2105 | S | 60.5 | Low | 71.5 | Confident | 101 Ų | 101 | 55.8 Ų | 55.8 | 71% | 0.706 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -57.2 | -36.2 | 178 | 51.2 | 0 | 0 | 0 | 0 | 113.8 | R2108 E2109 | S2105-R2108 VanDerWaalsContact O-CB 3.28Å; S2105-R2108 WeakPolarHBondContact O-CB 3.3Å; S2105-R2108 PolarHBondContact O-N 3.32Å; S2105-E2109 PolarHBondContact O-N 3.02Å |
| 2106 | S | 64.7 | Low | 71.5 | Confident | 62 Ų | 62 | 58.1 Ų | 58.1 | 43% | 0.434 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.8 | -48.8 | 177.8 | 57.5 | 0 | 0 | 0 | 0 | 112.4 | N2104 R2108 E2109 E2110 | N2104-S2106 VanDerWaalsContact C-N 3.28Å; N2104-S2106 PolarHBondContact O-N 3.27Å; S2106-R2108 PolarHBondContact O-N 3.49Å; S2106-R2108 VanDerWaalsContact O-N 3.14Å; S2106-E2109 PolarHBondContact O-N 3.11Å; S2106-E2110 WeakPolarHBondContact O-CG 3.09Å; S2106-E2110 PolarHBondContact O-N 3.08Å |
| 2107 | S | 64.6 | Low | 71.7 | Confident | 24 Ų | 24 | 61.4 Ų | 61.4 | 17% | 0.168 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.8 | -21.7 | 178.7 | 63 | 0 | 0 | 0 | 0 | 113.5 | S2102 N2104 E2110 A2111 | S2102-S2107 WeakPolarHBondContact CB-OG 3.33Å; S2102-S2107 PolarHBondContact OG-OG 3.45Å; N2104-S2107 PolarHBondContact O-N 2.69Å; N2104-S2107 PolarHBondContact O-OG 2.87Å; S2107-E2110 WeakPolarHBondContact CA-OE2 3.4Å; S2107-A2111 PolarHBondContact O-N 3.26Å |
| 2108 | R | 64.8 | Low | 72.3 | Confident | 126 Ų | 126 | 60.6 Ų | 60.6 | 48% | 0.475 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -71.4 | -40.2 | 173.5 | -162.6 | 178.2 | -122.1 | 179 | 2.2 | 111.7 | L2099 N2104 S2105 S2106 I2112 | L2099-R2108 HydrophobicContact CB-CG 4.25Å; L2099-R2108 HydrophobicContact CD2-CB 4.28Å; L2099-R2108 HydrophobicContact CD2-CG 3.73Å; L2099-R2108 WeakPolarHBondContact CD2-O 3.34Å; L2099-R2108 PolarHBondContact O-NE 2.87Å; L2099-R2108 VanDerWaalsContact O-NE 3.09Å; L2099-R2108 PolarHBondContact O-NH2 2.8Å; N2104-R2108 PolarHBondContact O-N 2.89Å; S2105-R2108 VanDerWaalsContact O-CB 3.28Å; S2105-R2108 WeakPolarHBondContact O-CB 3.3Å; S2105-R2108 PolarHBondContact O-N 3.32Å; S2106-R2108 PolarHBondContact O-N 3.49Å; S2106-R2108 VanDerWaalsContact O-N 3.14Å; R2108-I2112 HydrophobicContact CG-CD1 4.42Å; R2108-I2112 WeakPolarHBondContact O-CG1 3.37Å; R2108-I2112 PolarHBondContact O-N 3.07Å |
| 2109 | E | 69.5 | Low | 73.2 | Confident | 150 Ų | 150 | 60.1 Ų | 60.1 | 70% | 0.701 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -70.1 | -40.4 | 174.8 | -65.1 | -178.4 | 170.4 | 0 | 0 | 110.7 | S2105 S2106 I2112 A2113 | S2105-E2109 PolarHBondContact O-N 3.02Å; S2106-E2109 PolarHBondContact O-N 3.11Å; E2109-I2112 PolarHBondContact O-N 2.93Å; E2109-A2113 WeakPolarHBondContact O-CB 3.47Å; E2109-A2113 PolarHBondContact O-N 2.75Å |
| 2110 | E | 69.9 | Low | 73.9 | Confident | 119 Ų | 119 | 61.6 Ų | 61.6 | 56% | 0.556 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.9 | -46.7 | 176.1 | -69.7 | 166.5 | 175 | 0 | 0 | 112.8 | S2106 S2107 A2113 S2114 | S2106-E2110 WeakPolarHBondContact O-CG 3.09Å; S2106-E2110 PolarHBondContact O-N 3.08Å; S2107-E2110 WeakPolarHBondContact CA-OE2 3.4Å; E2110-A2113 PolarHBondContact O-N 3.44Å; E2110-S2114 VanDerWaalsContact O-CB 3.23Å; E2110-S2114 WeakPolarHBondContact O-CB 3.29Å; E2110-S2114 PolarHBondContact O-N 3.33Å |
| 2111 | A | 73.9 | Confident | 74.8 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -71.7 | -35.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I2050 L2099 S2107 S2114 V2115 | I2050-A2111 HydrophobicContact CD1-CB 3.73Å; I2050-A2111 HydrophobicContact CG1-CB 4.35Å; I2050-A2111 HydrophobicContact CG2-CB 4.2Å; L2099-A2111 HydrophobicContact CD2-CB 3.31Å; L2099-A2111 HydrophobicContact CG-CB 4.08Å; S2107-A2111 PolarHBondContact O-N 3.26Å; A2111-S2114 PolarHBondContact O-N 3.05Å; A2111-V2115 WeakPolarHBondContact O-CG2 3.48Å; A2111-V2115 PolarHBondContact O-N 3.17Å |
| 2112 | I | 76.3 | Confident | 75.9 | Confident | 34 Ų | 34 | 57.2 Ų | 57.2 | 17% | 0.174 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.8 | -44.7 | 172.3 | -64.5 | 167.7 | 0 | 0 | 0 | 110 | L2099 R2108 E2109 S2114 V2115 M2116 | L2099-I2112 HydrophobicContact CD1-CD1 4.13Å; L2099-I2112 HydrophobicContact CD1-CG1 3.44Å; L2099-I2112 VanDerWaalsContact CD1-CG1 3.44Å; L2099-I2112 HydrophobicContact CD2-CD1 4.43Å; L2099-I2112 HydrophobicContact CD2-CG1 3.79Å; L2099-I2112 HydrophobicContact CG-CG1 4.29Å; R2108-I2112 HydrophobicContact CG-CD1 4.42Å; R2108-I2112 WeakPolarHBondContact O-CG1 3.37Å; R2108-I2112 PolarHBondContact O-N 3.07Å; E2109-I2112 PolarHBondContact O-N 2.93Å; I2112-S2114 VanDerWaalsContact C-N 3.28Å; I2112-S2114 PolarHBondContact O-N 3.5Å; I2112-V2115 PolarHBondContact O-N 2.74Å; I2112-M2116 HydrophobicContact CG2-CG 4.28Å; I2112-M2116 VanDerWaalsContact O-CG 3.31Å; I2112-M2116 WeakPolarHBondContact O-CG 3.44Å; I2112-M2116 PolarHBondContact O-N 3.19Å |
| 2113 | A | 81.4 | Confident | 77.1 | Confident | 59 Ų | 59 | 55.5 Ų | 55.5 | 49% | 0.488 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.6 | -41.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E2109 E2110 M2116 D2117 | E2109-A2113 WeakPolarHBondContact O-CB 3.47Å; E2109-A2113 PolarHBondContact O-N 2.75Å; E2110-A2113 PolarHBondContact O-N 3.44Å; A2113-M2116 PolarHBondContact O-N 3.39Å; A2113-D2117 VanDerWaalsContact O-CB 3.26Å; A2113-D2117 WeakPolarHBondContact O-CB 3.32Å; A2113-D2117 PolarHBondContact O-N 3.2Å |
| 2114 | S | 82.3 | Confident | 78.7 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 11% | 0.105 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.6 | -37 | 177.6 | -174.2 | 0 | 0 | 0 | 0 | 113.6 | I2050 S2053 E2110 A2111 I2112 F2118 | I2050-S2114 VanDerWaalsContact CG2-OG 3.25Å; I2050-S2114 WeakPolarHBondContact CG2-OG 3.11Å; I2050-S2114 PolarHBondContact O-OG 3.16Å; S2053-S2114 WeakPolarHBondContact CB-OG 3.44Å; S2053-S2114 PolarHBondContact OG-O 3.46Å; S2053-S2114 VanDerWaalsContact OG-O 3.08Å; S2053-S2114 PolarHBondContact OG-OG 2.81Å; E2110-S2114 VanDerWaalsContact O-CB 3.23Å; E2110-S2114 WeakPolarHBondContact O-CB 3.29Å; E2110-S2114 PolarHBondContact O-N 3.33Å; A2111-S2114 PolarHBondContact O-N 3.05Å; I2112-S2114 VanDerWaalsContact C-N 3.28Å; I2112-S2114 PolarHBondContact O-N 3.5Å; S2114-F2118 WeakPolarHBondContact O-CB 3.25Å; S2114-F2118 PolarHBondContact O-N 3.48Å |
| 2115 | V | 86.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.7 | -41.5 | 172.6 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | T2092 C2095 A2111 I2112 F2118 W2119 V2158 L2162 | T2092-V2115 HydrophobicContact CG2-CG1 4.17Å; C2095-V2115 HydrophobicContact CB-CG2 3.19Å; A2111-V2115 WeakPolarHBondContact O-CG2 3.48Å; A2111-V2115 PolarHBondContact O-N 3.17Å; I2112-V2115 PolarHBondContact O-N 2.74Å; V2115-F2118 WeakPolarHBondContact O-CB 3.14Å; V2115-F2118 PolarHBondContact O-N 2.8Å; V2115-W2119 VanDerWaalsContact O-CD1 3.29Å; V2115-W2119 PolarHBondContact O-N 3.14Å; V2115-W2119 VanDerWaalsContact O-N 3.09Å; V2115-V2158 HydrophobicContact CB-CG1 4.46Å; V2115-V2158 HydrophobicContact CG1-CG1 3.73Å; V2115-L2162 HydrophobicContact CG1-CD1 4.28Å |
| 2116 | M | 86.8 | Confident | 81.5 | Confident | 49 Ų | 49 | 43.8 Ų | 43.8 | 24% | 0.241 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.6 | -38.8 | 177.4 | -65.3 | -57.1 | -64.2 | 0 | 0 | 111.6 | I2112 A2113 A2120 V2158 R2161 L2162 M2165 | I2112-M2116 HydrophobicContact CG2-CG 4.28Å; I2112-M2116 VanDerWaalsContact O-CG 3.31Å; I2112-M2116 WeakPolarHBondContact O-CG 3.44Å; I2112-M2116 PolarHBondContact O-N 3.19Å; A2113-M2116 PolarHBondContact O-N 3.39Å; M2116-A2120 WeakPolarHBondContact O-CB 3.47Å; M2116-A2120 PolarHBondContact O-N 3.36Å; M2116-V2158 HydrophobicContact SD-CG1 4.39Å; M2116-R2161 HydrophobicContact CE-CB 4.44Å; M2116-R2161 HydrophobicContact SD-CB 4.03Å; M2116-L2162 HydrophobicContact SD-CD2 3.88Å; M2116-L2162 HydrophobicContact SD-CG 4.39Å; M2116-M2165 HydrophobicContact CE-CE 3.82Å |
| 2117 | D | 86.8 | Confident | 82.5 | Confident | 73 Ų | 73 | 43.6 Ų | 43.6 | 39% | 0.39 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.1 | -42.5 | 175.1 | 175.2 | 37.5 | 0 | 0 | 0 | 112.4 | A2113 W2119 A2120 R2121 | A2113-D2117 VanDerWaalsContact O-CB 3.26Å; A2113-D2117 WeakPolarHBondContact O-CB 3.32Å; A2113-D2117 PolarHBondContact O-N 3.2Å; D2117-W2119 VanDerWaalsContact C-N 3.34Å; D2117-W2119 PolarHBondContact O-N 2.8Å; D2117-A2120 PolarHBondContact O-N 2.72Å; D2117-R2121 VanDerWaalsContact CG-NH2 3.28Å; D2117-R2121 PolarHBondContact O-N 3.31Å; D2117-R2121 IonicContact OD1-CZ 3.57Å; D2117-R2121 IonicContact OD1-NE 3.59Å; D2117-R2121 PolarHBondContact OD1-NE 3.31Å; D2117-R2121 IonicContact OD1-NH2 2.69Å; D2117-R2121 PolarHBondContact OD1-NH2 3.33Å; D2117-R2121 IonicContact OD2-CZ 3.34Å; D2117-R2121 IonicContact OD2-NE 3.95Å; D2117-R2121 IonicContact OD2-NH2 3.58Å; D2117-R2121 PolarHBondContact OD2-NH2 2.84Å |
| 2118 | F | 92.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -50.9 | -53.2 | 171.5 | 178.1 | -104.2 | 0 | 0 | 0 | 111.6 | S2053 I2056 I2060 C2088 W2091 S2114 V2115 R2121 I2122 | S2053-F2118 WeakPolarHBondContact OG-CB 3.48Å; I2056-F2118 HydrophobicContact CB-CE2 4.24Å; I2056-F2118 HydrophobicContact CG2-CE2 3.87Å; I2060-F2118 HydrophobicContact CD1-CE2 3.76Å; I2060-F2118 HydrophobicContact CD1-CZ 3.46Å; I2060-F2118 VanDerWaalsContact CD1-CZ 3.46Å; C2088-F2118 HydrophobicContact CB-CE1 4.37Å; W2091-F2118 HydrophobicContact CB-CZ 4.19Å; W2091-F2118 AromaticContact CD1-CD1 3.81Å; W2091-F2118 AromaticContact CD1-CD2 3.53Å; W2091-F2118 AromaticContact CD1-CE1 3.74Å; W2091-F2118 AromaticContact CD1-CE2 3.47Å; W2091-F2118 VanDerWaalsContact CD1-CE2 3.47Å; W2091-F2118 AromaticContact CD1-CG 3.69Å; W2091-F2118 AromaticContact CD1-CZ 3.56Å; W2091-F2118 HydrophobicContact CG-CE1 4.49Å; W2091-F2118 HydrophobicContact CG-CE2 4.15Å; W2091-F2118 HydrophobicContact CG-CZ 4.09Å; W2091-F2118 AromaticContact NE1-CD2 3.65Å; W2091-F2118 AromaticContact NE1-CE2 3.95Å; W2091-F2118 AromaticContact NE1-CG 3.94Å; S2114-F2118 WeakPolarHBondContact O-CB 3.25Å; S2114-F2118 PolarHBondContact O-N 3.48Å; V2115-F2118 WeakPolarHBondContact O-CB 3.14Å; V2115-F2118 PolarHBondContact O-N 2.8Å; F2118-R2121 PolarHBondContact O-N 2.87Å; F2118-I2122 HydrophobicContact CD1-CD1 3.8Å; F2118-I2122 HydrophobicContact CD2-CD1 3.9Å; F2118-I2122 HydrophobicContact CE1-CD1 3.43Å; F2118-I2122 VanDerWaalsContact CE1-CD1 3.43Å; F2118-I2122 HydrophobicContact CE2-CD1 3.52Å; F2118-I2122 HydrophobicContact CG-CD1 4.03Å; F2118-I2122 HydrophobicContact CZ-CD1 3.29Å; F2118-I2122 WeakPolarHBondContact O-CG1 3.46Å; F2118-I2122 PolarHBondContact O-N 3.09Å |
| 2119 | W | 92.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -75.5 | -31.6 | -178.7 | -76.9 | 112.7 | 0 | 0 | 0 | 113.4 | C2088 T2092 V2115 D2117 R2121 I2122 T2123 I2126 L2162 M2165 W2166 | C2088-W2119 HydrophobicContact CB-CH2 3.51Å; C2088-W2119 HydrophobicContact CB-CZ2 3.57Å; C2088-W2119 HydrophobicContact CB-CZ3 4.44Å; T2092-W2119 PolarHBondContact OG1-NE1 3.47Å; V2115-W2119 VanDerWaalsContact O-CD1 3.29Å; V2115-W2119 PolarHBondContact O-N 3.14Å; V2115-W2119 VanDerWaalsContact O-N 3.09Å; D2117-W2119 VanDerWaalsContact C-N 3.34Å; D2117-W2119 PolarHBondContact O-N 2.8Å; W2119-R2121 PolarHBondContact O-N 2.91Å; W2119-I2122 HydrophobicContact CE3-CB 4.33Å; W2119-I2122 HydrophobicContact CE3-CG2 4.17Å; W2119-I2122 HydrophobicContact CZ3-CG2 4.18Å; W2119-I2122 PolarHBondContact O-N 3.36Å; W2119-T2123 WeakPolarHBondContact O-CB 3.23Å; W2119-T2123 PolarHBondContact O-N 2.83Å; W2119-T2123 PolarHBondContact O-OG1 2.77Å; W2119-I2126 HydrophobicContact CZ3-CD1 4.16Å; W2119-L2162 HydrophobicContact CB-CD2 3.61Å; W2119-L2162 VanDerWaalsContact CD1-CD2 3.45Å; W2119-L2162 HydrophobicContact CG-CD1 4.46Å; W2119-L2162 HydrophobicContact CG-CD2 3.63Å; W2119-M2165 VanDerWaalsContact C-SD 3.55Å; W2119-M2165 HydrophobicContact CB-SD 3.93Å; W2119-W2166 AromaticContact CD2-CZ2 3.47Å; W2119-W2166 HydrophobicContact CD2-CZ2 3.47Å; W2119-W2166 VanDerWaalsContact CD2-CZ2 3.47Å; W2119-W2166 AromaticContact CD2-NE1 3.92Å; W2119-W2166 AromaticContact CE2-CZ2 3.45Å; W2119-W2166 VanDerWaalsContact CE2-CZ2 3.45Å; W2119-W2166 AromaticContact CE3-CE2 3.84Å; W2119-W2166 AromaticContact CE3-CZ2 3.62Å; W2119-W2166 HydrophobicContact CE3-CZ2 3.62Å; W2119-W2166 AromaticContact CE3-NE1 3.57Å; W2119-W2166 HydrophobicContact CG-CZ2 4.02Å; W2119-W2166 HydrophobicContact CH2-CH2 4.14Å; W2119-W2166 AromaticContact CH2-CZ2 3.64Å; W2119-W2166 HydrophobicContact CH2-CZ2 3.64Å; W2119-W2166 AromaticContact CZ2-CH2 3.95Å; W2119-W2166 HydrophobicContact CZ2-CH2 3.95Å; W2119-W2166 AromaticContact CZ2-CZ2 3.53Å; W2119-W2166 HydrophobicContact CZ2-CZ2 3.53Å; W2119-W2166 AromaticContact CZ3-CZ2 3.7Å; W2119-W2166 HydrophobicContact CZ3-CZ2 3.7Å |
| 2120 | A | 87.8 | Confident | 85.1 | Confident | 44 Ų | 44 | 35.9 Ų | 35.9 | 36% | 0.364 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.5 | -32.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | M2116 D2117 P2124 M2165 | M2116-A2120 WeakPolarHBondContact O-CB 3.47Å; M2116-A2120 PolarHBondContact O-N 3.36Å; D2117-A2120 PolarHBondContact O-N 2.72Å; A2120-P2124 WeakPolarHBondContact O-CD 3.49Å; A2120-M2165 HydrophobicContact CB-CE 3.79Å; A2120-M2165 HydrophobicContact CB-SD 4.25Å; A2120-M2165 PolarHBondContact N-SD 3.5Å; A2120-M2165 VanDerWaalsContact N-SD 3.43Å |
| 2121 | R | 88.7 | Confident | 85.6 | Confident | 61 Ų | 61 | 34.7 Ų | 34.7 | 23% | 0.23 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -86.5 | -29.4 | 177 | -70.6 | -170.3 | -80.8 | 116.2 | 5.2 | 113.7 | H2054 S2057 D2058 Q2061 D2117 F2118 W2119 | H2054-R2121 VanDerWaalsContact CA-NH1 3.32Å; H2054-R2121 VanDerWaalsContact CB-NH2 3.29Å; H2054-R2121 PolarHBondContact O-NH1 3.09Å; S2057-R2121 PolarHBondContact OG-NH1 3.32Å; D2058-R2121 IonicContact OD1-NH1 2.69Å; Q2061-R2121 PolarHBondContact NE2-O 2.8Å; D2117-R2121 VanDerWaalsContact CG-NH2 3.28Å; D2117-R2121 PolarHBondContact O-N 3.31Å; D2117-R2121 IonicContact OD1-CZ 3.57Å; D2117-R2121 IonicContact OD1-NE 3.59Å; D2117-R2121 PolarHBondContact OD1-NE 3.31Å; D2117-R2121 IonicContact OD1-NH2 2.69Å; D2117-R2121 PolarHBondContact OD1-NH2 3.33Å; D2117-R2121 IonicContact OD2-CZ 3.34Å; D2117-R2121 IonicContact OD2-NE 3.95Å; D2117-R2121 IonicContact OD2-NH2 3.58Å; D2117-R2121 PolarHBondContact OD2-NH2 2.84Å; F2118-R2121 PolarHBondContact O-N 2.87Å; W2119-R2121 PolarHBondContact O-N 2.91Å |
| 2122 | I | 90.8 | Very high | 86 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -80.4 | -36 | 176.4 | -70.1 | 165.5 | 0 | 0 | 0 | 112.7 | I2060 L2064 F2118 W2119 A2125 I2126 | I2060-I2122 HydrophobicContact CB-CD1 4.16Å; I2060-I2122 HydrophobicContact CB-CG1 4.44Å; I2060-I2122 HydrophobicContact CD1-CD1 3.9Å; I2060-I2122 HydrophobicContact CG2-CD1 3.91Å; I2060-I2122 HydrophobicContact CG2-CG1 4.07Å; I2060-I2122 HydrophobicContact CG2-CG2 4.24Å; L2064-I2122 HydrophobicContact CD1-CG2 3.99Å; F2118-I2122 HydrophobicContact CD1-CD1 3.8Å; F2118-I2122 HydrophobicContact CD2-CD1 3.9Å; F2118-I2122 HydrophobicContact CE1-CD1 3.43Å; F2118-I2122 VanDerWaalsContact CE1-CD1 3.43Å; F2118-I2122 HydrophobicContact CE2-CD1 3.52Å; F2118-I2122 HydrophobicContact CG-CD1 4.03Å; F2118-I2122 HydrophobicContact CZ-CD1 3.29Å; F2118-I2122 WeakPolarHBondContact O-CG1 3.46Å; F2118-I2122 PolarHBondContact O-N 3.09Å; W2119-I2122 HydrophobicContact CE3-CB 4.33Å; W2119-I2122 HydrophobicContact CE3-CG2 4.17Å; W2119-I2122 HydrophobicContact CZ3-CG2 4.18Å; W2119-I2122 PolarHBondContact O-N 3.36Å; I2122-A2125 WeakPolarHBondContact O-CB 3.44Å; I2122-A2125 PolarHBondContact O-N 3.2Å; I2122-I2126 HydrophobicContact CG2-CD1 3.71Å; I2122-I2126 HydrophobicContact CG2-CG1 4Å; I2122-I2126 PolarHBondContact O-N 3.49Å; I2122-I2126 VanDerWaalsContact O-N 3.14Å |
| 2123 | T | 88.5 | Confident | 86.3 | Confident | 11 Ų | 11 | 40.9 Ų | 40.9 | 7% | 0.067 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -52.1 | -45.4 | -177.3 | -68.5 | 0 | 0 | 0 | 0 | 114 | W2119 A2125 I2126 L2127 I2169 | W2119-T2123 WeakPolarHBondContact O-CB 3.23Å; W2119-T2123 PolarHBondContact O-N 2.83Å; W2119-T2123 PolarHBondContact O-OG1 2.77Å; T2123-A2125 VanDerWaalsContact C-N 3.34Å; T2123-A2125 PolarHBondContact O-N 3.41Å; T2123-I2126 PolarHBondContact O-N 3.26Å; T2123-L2127 HydrophobicContact CG2-CD1 4.02Å; T2123-L2127 WeakPolarHBondContact O-CG 3.05Å; T2123-L2127 PolarHBondContact O-N 3.09Å; T2123-I2169 HydrophobicContact CG2-CD1 3.96Å; T2123-I2169 HydrophobicContact CG2-CG1 4.17Å |
| 2124 | P | 87.6 | Confident | 86.2 | Confident | 74 Ų | 74 | 44.7 Ų | 44.7 | 48% | 0.481 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.6 | -38.6 | 175.3 | -26.1 | 35.6 | 0 | 0 | 0 | 114.1 | A2120 L2127 Q2128 | A2120-P2124 WeakPolarHBondContact O-CD 3.49Å; P2124-L2127 PolarHBondContact O-N 2.71Å; P2124-Q2128 WeakPolarHBondContact O-CB 3.27Å; P2124-Q2128 PolarHBondContact O-N 3.37Å |
| 2125 | A | 86.6 | Confident | 86 | Confident | 17 Ų | 17 | 48.5 Ų | 48.5 | 14% | 0.14 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.2 | -36.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q2061 L2064 I2122 T2123 Q2128 L2129 | Q2061-A2125 HydrophobicContact CG-CB 4.31Å; L2064-A2125 HydrophobicContact CB-CB 4.32Å; L2064-A2125 HydrophobicContact CD1-CB 3.98Å; I2122-A2125 WeakPolarHBondContact O-CB 3.44Å; I2122-A2125 PolarHBondContact O-N 3.2Å; T2123-A2125 VanDerWaalsContact C-N 3.34Å; T2123-A2125 PolarHBondContact O-N 3.41Å; A2125-Q2128 PolarHBondContact O-N 3.21Å; A2125-L2129 PolarHBondContact O-N 3.4Å |
| 2126 | I | 89.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.8 | -46.9 | 172.1 | -62 | 174.3 | 0 | 0 | 0 | 110.3 | L2064 F2085 W2119 I2122 T2123 Q2128 L2129 L2130 V2140 F2144 I2169 | L2064-I2126 HydrophobicContact CD1-CG1 3.99Å; F2085-I2126 HydrophobicContact CE1-CD1 3.84Å; F2085-I2126 HydrophobicContact CE1-CG1 4.49Å; F2085-I2126 HydrophobicContact CZ-CD1 4.12Å; F2085-I2126 HydrophobicContact CZ-CG1 4.3Å; W2119-I2126 HydrophobicContact CZ3-CD1 4.16Å; I2122-I2126 HydrophobicContact CG2-CD1 3.71Å; I2122-I2126 HydrophobicContact CG2-CG1 4Å; I2122-I2126 PolarHBondContact O-N 3.49Å; I2122-I2126 VanDerWaalsContact O-N 3.14Å; T2123-I2126 PolarHBondContact O-N 3.26Å; I2126-Q2128 VanDerWaalsContact C-N 3.31Å; I2126-Q2128 PolarHBondContact O-N 2.91Å; I2126-L2129 WeakPolarHBondContact O-CB 3.38Å; I2126-L2129 PolarHBondContact O-N 2.63Å; I2126-L2130 HydrophobicContact CG2-CD1 4.43Å; I2126-L2130 HydrophobicContact CG2-CG 4.48Å; I2126-L2130 WeakPolarHBondContact O-CG 3.42Å; I2126-L2130 PolarHBondContact O-N 3.17Å; I2126-V2140 HydrophobicContact CG2-CG1 3.84Å; I2126-F2144 HydrophobicContact CD1-CD2 4.35Å; I2126-I2169 HydrophobicContact CB-CD1 4.31Å; I2126-I2169 HydrophobicContact CD1-CD1 4.24Å; I2126-I2169 HydrophobicContact CG2-CD1 4.12Å; I2126-I2169 HydrophobicContact CG2-CG1 4.42Å; I2126-I2169 HydrophobicContact CG2-CG2 3.79Å |
| 2127 | L | 85.9 | Confident | 85.6 | Confident | 59 Ų | 59 | 47 Ų | 47 | 31% | 0.309 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 178.1 | -70.4 | 169.6 | 0 | 0 | 0 | 112.4 | T2123 P2124 L2130 S2131 P2168 I2169 | T2123-L2127 HydrophobicContact CG2-CD1 4.02Å; T2123-L2127 WeakPolarHBondContact O-CG 3.05Å; T2123-L2127 PolarHBondContact O-N 3.09Å; P2124-L2127 PolarHBondContact O-N 2.71Å; L2127-L2130 PolarHBondContact O-N 2.94Å; L2127-S2131 PolarHBondContact O-N 3.49Å; L2127-P2168 HydrophobicContact CD2-CB 4.34Å; L2127-I2169 HydrophobicContact CD2-CB 4.44Å; L2127-I2169 HydrophobicContact CD2-CG1 3.94Å; L2127-I2169 HydrophobicContact CG-CG1 4.13Å |
| 2128 | Q | 84.8 | Confident | 85.3 | Confident | 127 Ų | 127 | 46.9 Ų | 46.9 | 59% | 0.593 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63 | -44.3 | 174.2 | -174.4 | 177.1 | -6.9 | 0 | 0 | 111.6 | P2124 A2125 I2126 L2130 S2131 | P2124-Q2128 WeakPolarHBondContact O-CB 3.27Å; P2124-Q2128 PolarHBondContact O-N 3.37Å; A2125-Q2128 PolarHBondContact O-N 3.21Å; I2126-Q2128 VanDerWaalsContact C-N 3.31Å; I2126-Q2128 PolarHBondContact O-N 2.91Å; Q2128-L2130 PolarHBondContact O-N 3.5Å; Q2128-S2131 PolarHBondContact O-N 2.79Å; Q2128-S2131 VanDerWaalsContact O-N 3.13Å; Q2128-S2131 PolarHBondContact O-OG 2.79Å |
| 2129 | L | 84.3 | Confident | 84.8 | Confident | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 174.7 | -88.1 | 169.5 | 0 | 0 | 0 | 113.2 | L2064 A2068 L2081 A2125 I2126 S2131 H2132 L2136 V2140 | L2064-L2129 HydrophobicContact CB-CD1 3.65Å; L2064-L2129 HydrophobicContact CD2-CD1 3.52Å; L2064-L2129 HydrophobicContact CG-CD1 4.09Å; L2064-L2129 WeakPolarHBondContact O-CD1 3.46Å; L2064-L2129 WeakPolarHBondContact O-CD2 3.35Å; A2068-L2129 HydrophobicContact CB-CD2 4.11Å; L2081-L2129 HydrophobicContact CD2-CD1 4.42Å; A2125-L2129 PolarHBondContact O-N 3.4Å; I2126-L2129 WeakPolarHBondContact O-CB 3.38Å; I2126-L2129 PolarHBondContact O-N 2.63Å; L2129-S2131 PolarHBondContact O-N 3.49Å; L2129-H2132 PolarHBondContact O-N 3.04Å; L2129-H2132 VanDerWaalsContact O-N 3.16Å; L2129-L2136 HydrophobicContact CD2-CD1 4.24Å; L2129-L2136 HydrophobicContact CD2-CD2 3.61Å; L2129-L2136 HydrophobicContact CD2-CG 4.12Å; L2129-V2140 HydrophobicContact CB-CG2 4.17Å; L2129-V2140 HydrophobicContact CD1-CG2 4.24Å |
| 2130 | L | 83.5 | Confident | 84.5 | Confident | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.5 | -25 | 175.7 | -68.9 | 179.6 | 0 | 0 | 0 | 112.6 | I2126 L2127 Q2128 A2137 V2140 N2141 I2169 A2172 | I2126-L2130 HydrophobicContact CG2-CD1 4.43Å; I2126-L2130 HydrophobicContact CG2-CG 4.48Å; I2126-L2130 WeakPolarHBondContact O-CG 3.42Å; I2126-L2130 PolarHBondContact O-N 3.17Å; L2127-L2130 PolarHBondContact O-N 2.94Å; Q2128-L2130 PolarHBondContact O-N 3.5Å; L2130-A2137 HydrophobicContact CD2-CB 3.99Å; L2130-V2140 HydrophobicContact CD2-CB 3.95Å; L2130-V2140 HydrophobicContact CD2-CG1 3.74Å; L2130-V2140 HydrophobicContact CG-CG1 4.2Å; L2130-N2141 WeakPolarHBondContact CD2-OD1 3.4Å; L2130-I2169 HydrophobicContact CD1-CG2 3.83Å; L2130-A2172 HydrophobicContact CD1-CB 4.15Å |
| 2131 | S | 81.4 | Confident | 84.3 | Confident | 93 Ų | 93 | 49.7 Ų | 49.7 | 65% | 0.65 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -83 | -13.8 | 177.7 | 77.3 | 0 | 0 | 0 | 0 | 114.8 | L2127 Q2128 L2129 | L2127-S2131 PolarHBondContact O-N 3.49Å; Q2128-S2131 PolarHBondContact O-N 2.79Å; Q2128-S2131 VanDerWaalsContact O-N 3.13Å; Q2128-S2131 PolarHBondContact O-OG 2.79Å; L2129-S2131 PolarHBondContact O-N 3.49Å |
| 2132 | H | 82.3 | Confident | 84.1 | Confident | 108 Ų | 108 | 51.6 Ų | 51.6 | 50% | 0.5 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -74.7 | -47.3 | -170.1 | -115.1 | -90.1 | 0 | 0 | 0 | 114.1 | L2129 L2136 | L2129-H2132 PolarHBondContact O-N 3.04Å; L2129-H2132 VanDerWaalsContact O-N 3.16Å; H2132-L2136 HydrophobicContact CB-CD2 3.76Å |
| 2133 | S | 82.3 | Confident | 84 | Confident | 57 Ų | 57 | 53.5 Ų | 53.5 | 40% | 0.399 | 29% | 0.289 | S | S | . | . | trans | -162.9 | 158.3 | 176.1 | 76.3 | 0 | 0 | 0 | 0 | 111.1 | V2135 L2136 A2137 | S2133-V2135 PolarHBondContact O-N 3.23Å; S2133-L2136 PolarHBondContact O-N 3.03Å; S2133-L2136 VanDerWaalsContact OG-CB 3.26Å; S2133-L2136 WeakPolarHBondContact OG-CB 3.24Å; S2133-L2136 PolarHBondContact OG-N 2.84Å; S2133-A2137 WeakPolarHBondContact O-CB 3.4Å; S2133-A2137 PolarHBondContact O-N 3.31Å | ||
| 2134 | K | 79.3 | Confident | 83.9 | Confident | 138 Ų | 138 | 53 Ų | 53 | 60% | 0.6 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60.4 | -45.4 | 178.9 | 179.3 | 169.4 | -179.4 | -177.2 | 0 | 113.5 | L2136 A2137 D2138 Y2173 | K2134-L2136 VanDerWaalsContact C-N 3.32Å; K2134-L2136 PolarHBondContact O-N 3.41Å; K2134-A2137 PolarHBondContact O-N 2.99Å; K2134-D2138 VanDerWaalsContact O-CG 3.29Å; K2134-D2138 PolarHBondContact O-N 3.13Å; K2134-Y2173 VanDerWaalsContact CA-OH 3.31Å; K2134-Y2173 WeakPolarHBondContact CA-OH 3.47Å; K2134-Y2173 WeakPolarHBondContact CB-OH 3.34Å; K2134-Y2173 HydrophobicContact CG-CE1 4.08Å |
| 2135 | V | 77.8 | Confident | 83.7 | Confident | 96 Ų | 96 | 51.4 Ų | 51.4 | 58% | 0.582 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.3 | -41.7 | -179.6 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | S2133 D2138 M2139 | S2133-V2135 PolarHBondContact O-N 3.23Å; V2135-D2138 PolarHBondContact O-N 3.36Å; V2135-M2139 HydrophobicContact CG1-CE 4.02Å; V2135-M2139 WeakPolarHBondContact O-CG 3.11Å; V2135-M2139 PolarHBondContact O-N 2.99Å |
| 2136 | L | 82.1 | Confident | 83.6 | Confident | 16 Ų | 16 | 53.2 Ų | 53.2 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.8 | -39.2 | 176.4 | -176.1 | 56 | 0 | 0 | 0 | 111.8 | F2067 A2068 L2081 L2129 H2132 S2133 K2134 M2139 V2140 | F2067-L2136 HydrophobicContact CD1-CD1 3.56Å; F2067-L2136 HydrophobicContact CE1-CD1 3.49Å; F2067-L2136 VanDerWaalsContact CE1-CD1 3.49Å; A2068-L2136 HydrophobicContact CB-CD2 4.05Å; L2081-L2136 HydrophobicContact CD1-CD1 4.49Å; L2129-L2136 HydrophobicContact CD2-CD1 4.24Å; L2129-L2136 HydrophobicContact CD2-CD2 3.61Å; L2129-L2136 HydrophobicContact CD2-CG 4.12Å; H2132-L2136 HydrophobicContact CB-CD2 3.76Å; S2133-L2136 PolarHBondContact O-N 3.03Å; S2133-L2136 VanDerWaalsContact OG-CB 3.26Å; S2133-L2136 WeakPolarHBondContact OG-CB 3.24Å; S2133-L2136 PolarHBondContact OG-N 2.84Å; K2134-L2136 VanDerWaalsContact C-N 3.32Å; K2134-L2136 PolarHBondContact O-N 3.41Å; L2136-M2139 PolarHBondContact O-N 3.09Å; L2136-V2140 HydrophobicContact CD1-CG2 4.04Å; L2136-V2140 HydrophobicContact CG-CG2 4.35Å; L2136-V2140 WeakPolarHBondContact O-CB 3.24Å; L2136-V2140 VanDerWaalsContact O-CG2 3.25Å; L2136-V2140 WeakPolarHBondContact O-CG2 3.47Å; L2136-V2140 PolarHBondContact O-N 3.06Å |
| 2137 | A | 81.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L2130 S2133 K2134 M2139 V2140 N2141 Y2173 | L2130-A2137 HydrophobicContact CD2-CB 3.99Å; S2133-A2137 WeakPolarHBondContact O-CB 3.4Å; S2133-A2137 PolarHBondContact O-N 3.31Å; K2134-A2137 PolarHBondContact O-N 2.99Å; A2137-M2139 PolarHBondContact O-N 3.21Å; A2137-V2140 PolarHBondContact O-N 3.39Å; A2137-N2141 WeakPolarHBondContact O-CB 3.3Å; A2137-N2141 PolarHBondContact O-N 2.85Å; A2137-N2141 PolarHBondContact O-ND2 3.38Å; A2137-Y2173 HydrophobicContact CB-CD1 4.25Å; A2137-Y2173 HydrophobicContact CB-CD2 3.71Å; A2137-Y2173 HydrophobicContact CB-CE1 4.03Å; A2137-Y2173 HydrophobicContact CB-CE2 3.45Å; A2137-Y2173 VanDerWaalsContact CB-CE2 3.45Å; A2137-Y2173 HydrophobicContact CB-CG 4.1Å |
| 2138 | D | 81 | Confident | 83.3 | Confident | 71 Ų | 71 | 50.6 Ų | 50.6 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 176.3 | -68.1 | -29 | 0 | 0 | 0 | 111.5 | K2134 V2135 L2142 | K2134-D2138 VanDerWaalsContact O-CG 3.29Å; K2134-D2138 PolarHBondContact O-N 3.13Å; V2135-D2138 PolarHBondContact O-N 3.36Å; D2138-L2142 WeakPolarHBondContact O-CB 3.43Å; D2138-L2142 PolarHBondContact O-N 3.02Å |
| 2139 | M | 83.3 | Confident | 83.3 | Confident | 88 Ų | 88 | 47.1 Ų | 47.1 | 43% | 0.433 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.1 | -47.4 | 174 | -72.7 | 178.7 | 179.1 | 0 | 0 | 113.1 | L2081 V2135 L2136 A2137 L2142 H2143 | L2081-M2139 HydrophobicContact CD1-CB 4.44Å; V2135-M2139 HydrophobicContact CG1-CE 4.02Å; V2135-M2139 WeakPolarHBondContact O-CG 3.11Å; V2135-M2139 PolarHBondContact O-N 2.99Å; L2136-M2139 PolarHBondContact O-N 3.09Å; A2137-M2139 PolarHBondContact O-N 3.21Å; M2139-L2142 PolarHBondContact O-N 3.09Å; M2139-H2143 PolarHBondContact O-CD2 3.39Å; M2139-H2143 PolarHBondContact O-N 3.38Å |
| 2140 | V | 85.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66 | -42.4 | -179.3 | 169.3 | 0 | 0 | 0 | 0 | 110.3 | L2081 F2085 I2126 L2129 L2130 L2136 A2137 L2142 H2143 F2144 | L2081-V2140 HydrophobicContact CD1-CG2 3.72Å; L2081-V2140 HydrophobicContact CD2-CG2 4.4Å; F2085-V2140 HydrophobicContact CE2-CG1 4.5Å; F2085-V2140 HydrophobicContact CZ-CG1 4.23Å; I2126-V2140 HydrophobicContact CG2-CG1 3.84Å; L2129-V2140 HydrophobicContact CB-CG2 4.17Å; L2129-V2140 HydrophobicContact CD1-CG2 4.24Å; L2130-V2140 HydrophobicContact CD2-CB 3.95Å; L2130-V2140 HydrophobicContact CD2-CG1 3.74Å; L2130-V2140 HydrophobicContact CG-CG1 4.2Å; L2136-V2140 HydrophobicContact CD1-CG2 4.04Å; L2136-V2140 HydrophobicContact CG-CG2 4.35Å; L2136-V2140 WeakPolarHBondContact O-CB 3.24Å; L2136-V2140 VanDerWaalsContact O-CG2 3.25Å; L2136-V2140 WeakPolarHBondContact O-CG2 3.47Å; L2136-V2140 PolarHBondContact O-N 3.06Å; A2137-V2140 PolarHBondContact O-N 3.39Å; V2140-L2142 PolarHBondContact O-N 3.43Å; V2140-H2143 PolarHBondContact O-N 2.85Å; V2140-F2144 WeakPolarHBondContact O-CB 3.35Å; V2140-F2144 PolarHBondContact O-N 2.84Å |
| 2141 | N | 83.6 | Confident | 83.4 | Confident | 16 Ų | 16 | 46.7 Ų | 46.7 | 9% | 0.086 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58 | -46.9 | 171.9 | -76.1 | -33.8 | 0 | 0 | 0 | 111.1 | L2130 A2137 H2143 F2144 L2145 Y2173 | L2130-N2141 WeakPolarHBondContact CD2-OD1 3.4Å; A2137-N2141 WeakPolarHBondContact O-CB 3.3Å; A2137-N2141 PolarHBondContact O-N 2.85Å; A2137-N2141 PolarHBondContact O-ND2 3.38Å; N2141-H2143 PolarHBondContact O-N 3.19Å; N2141-F2144 PolarHBondContact O-N 3.46Å; N2141-L2145 VanDerWaalsContact O-CB 3.28Å; N2141-L2145 WeakPolarHBondContact O-CB 3.04Å; N2141-L2145 PolarHBondContact O-N 2.81Å; N2141-Y2173 VanDerWaalsContact ND2-CB 3.34Å; N2141-Y2173 WeakPolarHBondContact ND2-CB 3.42Å |
| 2142 | L | 84.8 | Confident | 83.3 | Confident | 101 Ų | 101 | 42.8 Ų | 42.8 | 53% | 0.529 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.6 | -47 | 178 | 177.7 | 62.9 | 0 | 0 | 0 | 112.3 | D2138 M2139 V2140 L2145 N2146 | D2138-L2142 WeakPolarHBondContact O-CB 3.43Å; D2138-L2142 PolarHBondContact O-N 3.02Å; M2139-L2142 PolarHBondContact O-N 3.09Å; V2140-L2142 PolarHBondContact O-N 3.43Å; L2142-L2145 PolarHBondContact O-N 3.14Å; L2142-N2146 PolarHBondContact O-N 3.41Å; L2142-N2146 PolarHBondContact O-ND2 2.9Å |
| 2143 | H | 88.2 | Confident | 83.2 | Confident | 40 Ų | 40 | 41.9 Ų | 41.9 | 19% | 0.185 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.5 | -36.4 | 179.3 | -70.4 | -63 | 0 | 0 | 0 | 112.9 | F2085 M2139 V2140 N2141 N2146 A2147 | F2085-H2143 HydrophobicContact CB-CB 4.25Å; F2085-H2143 HydrophobicContact CD2-CB 3.29Å; F2085-H2143 HydrophobicContact CE2-CB 3.75Å; F2085-H2143 HydrophobicContact CG-CB 3.89Å; M2139-H2143 PolarHBondContact O-CD2 3.39Å; M2139-H2143 PolarHBondContact O-N 3.38Å; V2140-H2143 PolarHBondContact O-N 2.85Å; N2141-H2143 PolarHBondContact O-N 3.19Å; H2143-N2146 PolarHBondContact O-N 2.92Å; H2143-A2147 PolarHBondContact O-N 3.48Å |
| 2144 | F | 87.1 | Confident | 83.1 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.1 | -41.1 | 173.2 | -177.5 | -108.7 | 0 | 0 | 0 | 111.7 | F2085 I2126 V2140 N2141 A2147 V2148 W2166 I2169 L2170 | F2085-F2144 HydrophobicContact CE1-CB 3.98Å; F2085-F2144 AromaticContact CE1-CD2 3.86Å; F2085-F2144 HydrophobicContact CE1-CD2 3.86Å; F2085-F2144 HydrophobicContact CE1-CG 4.43Å; F2085-F2144 HydrophobicContact CZ-CB 4.16Å; I2126-F2144 HydrophobicContact CD1-CD2 4.35Å; V2140-F2144 WeakPolarHBondContact O-CB 3.35Å; V2140-F2144 PolarHBondContact O-N 2.84Å; N2141-F2144 PolarHBondContact O-N 3.46Å; F2144-A2147 CarbonylContact O-C 3.58Å; F2144-A2147 WeakPolarHBondContact O-CA 3.2Å; F2144-A2147 WeakPolarHBondContact O-CB 3.42Å; F2144-A2147 PolarHBondContact O-N 2.93Å; F2144-V2148 HydrophobicContact CD1-CG2 4.46Å; F2144-V2148 HydrophobicContact CE1-CG2 4.08Å; F2144-V2148 HydrophobicContact CZ-CG2 4.16Å; F2144-V2148 WeakPolarHBondContact O-CG2 3.37Å; F2144-V2148 PolarHBondContact O-N 3.48Å; F2144-W2166 AromaticContact CE2-CD2 3.85Å; F2144-W2166 HydrophobicContact CE2-CD2 3.85Å; F2144-W2166 HydrophobicContact CE2-CE3 4.03Å; F2144-W2166 HydrophobicContact CE2-CG 4.21Å; F2144-W2166 HydrophobicContact CE2-CZ3 4.42Å; F2144-W2166 HydrophobicContact CZ-CB 3.85Å; F2144-W2166 AromaticContact CZ-CD2 3.51Å; F2144-W2166 HydrophobicContact CZ-CD2 3.51Å; F2144-W2166 AromaticContact CZ-CE3 3.57Å; F2144-W2166 HydrophobicContact CZ-CE3 3.57Å; F2144-W2166 AromaticContact CZ-CG 3.65Å; F2144-W2166 HydrophobicContact CZ-CG 3.65Å; F2144-W2166 HydrophobicContact CZ-CZ3 4.3Å; F2144-I2169 HydrophobicContact CD1-CG2 3.79Å; F2144-I2169 HydrophobicContact CE1-CB 4.17Å; F2144-I2169 HydrophobicContact CE1-CG2 3.69Å; F2144-I2169 HydrophobicContact CE2-CD1 4.06Å; F2144-I2169 HydrophobicContact CE2-CG2 4.48Å; F2144-I2169 HydrophobicContact CG-CG2 4.23Å; F2144-I2169 HydrophobicContact CZ-CB 4.32Å; F2144-I2169 HydrophobicContact CZ-CD1 3.98Å; F2144-I2169 HydrophobicContact CZ-CG2 4.05Å; F2144-L2170 HydrophobicContact CD1-CD2 4.17Å; F2144-L2170 HydrophobicContact CE1-CD2 3.67Å; F2144-L2170 HydrophobicContact CE1-CG 3.97Å |
| 2145 | L | 82.6 | Confident | 83.1 | Confident | 39 Ų | 39 | 36.6 Ų | 36.6 | 20% | 0.204 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.2 | -46.6 | 174.6 | -145.4 | 70.4 | 0 | 0 | 0 | 111.4 | N2141 L2142 A2147 V2148 E2149 L2181 | N2141-L2145 VanDerWaalsContact O-CB 3.28Å; N2141-L2145 WeakPolarHBondContact O-CB 3.04Å; N2141-L2145 PolarHBondContact O-N 2.81Å; L2142-L2145 PolarHBondContact O-N 3.14Å; L2145-A2147 PolarHBondContact O-N 3.22Å; L2145-V2148 PolarHBondContact O-N 2.94Å; L2145-E2149 WeakPolarHBondContact O-CG 3.3Å; L2145-E2149 PolarHBondContact O-N 3.44Å; L2145-L2181 HydrophobicContact CD1-CD1 3.3Å; L2145-L2181 HydrophobicContact CD1-CD2 4.34Å; L2145-L2181 HydrophobicContact CD1-CG 4.46Å; L2145-L2181 HydrophobicContact CD2-CD1 3.86Å; L2145-L2181 HydrophobicContact CG-CD1 3.62Å |
| 2146 | N | 85.3 | Confident | 83.3 | Confident | 56 Ų | 56 | 32.5 Ų | 32.5 | 30% | 0.299 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61 | -28.9 | 173.9 | -79.5 | -69.6 | 0 | 0 | 0 | 112.3 | L2142 H2143 G2150 | L2142-N2146 PolarHBondContact O-N 3.41Å; L2142-N2146 PolarHBondContact O-ND2 2.9Å; H2143-N2146 PolarHBondContact O-N 2.92Å; N2146-G2150 PolarHBondContact O-N 3.33Å |
| 2147 | A | 86.2 | Confident | 83 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -74.5 | -42.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F2085 Q2089 H2143 F2144 L2145 G2150 L2151 | F2085-A2147 HydrophobicContact CB-CB 4.44Å; F2085-A2147 HydrophobicContact CD1-CB 4.21Å; Q2089-A2147 HydrophobicContact CG-CB 3.75Å; H2143-A2147 PolarHBondContact O-N 3.48Å; F2144-A2147 CarbonylContact O-C 3.58Å; F2144-A2147 WeakPolarHBondContact O-CA 3.2Å; F2144-A2147 WeakPolarHBondContact O-CB 3.42Å; F2144-A2147 PolarHBondContact O-N 2.93Å; L2145-A2147 PolarHBondContact O-N 3.22Å; A2147-G2150 PolarHBondContact O-N 3.09Å; A2147-L2151 VanDerWaalsContact O-CG 3.31Å; A2147-L2151 WeakPolarHBondContact O-CG 3.5Å; A2147-L2151 PolarHBondContact O-N 3.25Å |
| 2148 | V | 83 | Confident | 82.8 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.3 | -47.2 | 172 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | F2144 L2145 G2150 L2151 L2152 L2159 W2166 L2181 | F2144-V2148 HydrophobicContact CD1-CG2 4.46Å; F2144-V2148 HydrophobicContact CE1-CG2 4.08Å; F2144-V2148 HydrophobicContact CZ-CG2 4.16Å; F2144-V2148 WeakPolarHBondContact O-CG2 3.37Å; F2144-V2148 PolarHBondContact O-N 3.48Å; L2145-V2148 PolarHBondContact O-N 2.94Å; V2148-G2150 VanDerWaalsContact C-N 3.33Å; V2148-G2150 PolarHBondContact O-N 3.48Å; V2148-L2151 PolarHBondContact O-N 3.43Å; V2148-L2152 HydrophobicContact CG1-CD1 4.04Å; V2148-L2152 VanDerWaalsContact O-CG 3.32Å; V2148-L2152 WeakPolarHBondContact O-CG 3.46Å; V2148-L2152 PolarHBondContact O-N 2.85Å; V2148-L2159 HydrophobicContact CG1-CD1 4.42Å; V2148-W2166 HydrophobicContact CG2-CE3 4.1Å; V2148-W2166 HydrophobicContact CG2-CZ3 3.88Å; V2148-L2181 HydrophobicContact CB-CD2 4.27Å; V2148-L2181 HydrophobicContact CG1-CD2 3.59Å |
| 2149 | E | 83.3 | Confident | 82.7 | Confident | 54 Ų | 54 | 32.5 Ų | 32.5 | 25% | 0.252 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.7 | -34.6 | 176.1 | -68.3 | -161.7 | 143.2 | 0 | 0 | 112.7 | L2145 L2152 E2153 H2180 L2181 R2184 | L2145-E2149 WeakPolarHBondContact O-CG 3.3Å; L2145-E2149 PolarHBondContact O-N 3.44Å; E2149-L2152 PolarHBondContact O-N 2.92Å; E2149-E2153 WeakPolarHBondContact O-CB 3.31Å; E2149-E2153 PolarHBondContact O-N 3.09Å; E2149-H2180 IonicContact OE1-CD2 2.69Å; E2149-H2180 IonicContact OE1-CE1 3.69Å; E2149-H2180 IonicContact OE1-NE2 3.81Å; E2149-H2180 PolarHBondContact OE1-NE2 3.18Å; E2149-L2181 HydrophobicContact CG-CD2 4.14Å; E2149-R2184 IonicContact OE1-NH1 2.73Å; E2149-R2184 PolarHBondContact OE1-NH1 3.17Å |
| 2150 | G | 84.5 | Confident | 82.3 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.8 | -41.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N2146 A2147 V2148 E2153 A2154 W2203 | N2146-G2150 PolarHBondContact O-N 3.33Å; A2147-G2150 PolarHBondContact O-N 3.09Å; V2148-G2150 VanDerWaalsContact C-N 3.33Å; V2148-G2150 PolarHBondContact O-N 3.48Å; G2150-E2153 PolarHBondContact O-N 2.91Å; G2150-A2154 PolarHBondContact O-N 2.97Å; G2150-W2203 PolarHBondContact O-NE1 2.88Å |
| 2151 | L | 85.8 | Confident | 81.9 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.6 | -35 | 175.3 | -69.4 | 173.7 | 0 | 0 | 0 | 112.5 | T2092 I2093 A2147 V2148 A2154 D2155 S2156 L2159 W2166 | T2092-L2151 HydrophobicContact CG2-CD1 4.33Å; T2092-L2151 HydrophobicContact CG2-CD2 3.87Å; I2093-L2151 HydrophobicContact CD1-CD2 3.66Å; I2093-L2151 HydrophobicContact CG1-CD2 3.79Å; A2147-L2151 VanDerWaalsContact O-CG 3.31Å; A2147-L2151 WeakPolarHBondContact O-CG 3.5Å; A2147-L2151 PolarHBondContact O-N 3.25Å; V2148-L2151 PolarHBondContact O-N 3.43Å; L2151-A2154 PolarHBondContact O-N 3.28Å; L2151-D2155 PolarHBondContact O-N 2.98Å; L2151-S2156 WeakPolarHBondContact O-CB 3.46Å; L2151-S2156 PolarHBondContact O-N 3.37Å; L2151-L2159 HydrophobicContact CB-CD1 4.28Å; L2151-L2159 HydrophobicContact CB-CD2 4.36Å; L2151-L2159 HydrophobicContact CD1-CD1 4.21Å; L2151-W2166 HydrophobicContact CD1-CH2 3.76Å; L2151-W2166 HydrophobicContact CD1-CZ3 4.3Å |
| 2152 | L | 79.2 | Confident | 81.9 | Confident | 11 Ų | 11 | 37.2 Ų | 37.2 | 6% | 0.058 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.8 | -38.4 | 170.6 | -73.3 | 166.1 | 0 | 0 | 0 | 111.9 | V2148 E2149 A2154 D2155 L2159 L2181 R2184 L2185 F2188 | V2148-L2152 HydrophobicContact CG1-CD1 4.04Å; V2148-L2152 VanDerWaalsContact O-CG 3.32Å; V2148-L2152 WeakPolarHBondContact O-CG 3.46Å; V2148-L2152 PolarHBondContact O-N 2.85Å; E2149-L2152 PolarHBondContact O-N 2.92Å; L2152-A2154 PolarHBondContact O-N 3.44Å; L2152-D2155 PolarHBondContact O-N 3.04Å; L2152-L2159 HydrophobicContact CD2-CD2 3.43Å; L2152-L2159 VanDerWaalsContact CD2-CD2 3.43Å; L2152-L2159 HydrophobicContact CG-CD2 3.54Å; L2152-L2181 HydrophobicContact CD1-CD2 4.23Å; L2152-R2184 HydrophobicContact CD1-CB 4.05Å; L2152-R2184 HydrophobicContact CD2-CB 4.48Å; L2152-L2185 HydrophobicContact CD2-CD2 4.32Å; L2152-F2188 HydrophobicContact CD2-CD2 3.47Å; L2152-F2188 VanDerWaalsContact CD2-CD2 3.47Å; L2152-F2188 HydrophobicContact CD2-CE2 3.78Å; L2152-F2188 HydrophobicContact CD2-CG 4.35Å |
| 2153 | E | 81.3 | Confident | 81.5 | Confident | 88 Ų | 88 | 34.9 Ų | 34.9 | 41% | 0.411 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -71.8 | -17 | 177.2 | -167.4 | 177.9 | -169.8 | 0 | 0 | 113.1 | E2149 G2150 K2206 | E2149-E2153 WeakPolarHBondContact O-CB 3.31Å; E2149-E2153 PolarHBondContact O-N 3.09Å; G2150-E2153 PolarHBondContact O-N 2.91Å; E2153-K2206 VanDerWaalsContact OE1-CD 3.25Å; E2153-K2206 WeakPolarHBondContact OE1-CD 3.28Å; E2153-K2206 WeakPolarHBondContact OE1-CE 3.29Å; E2153-K2206 IonicContact OE1-NZ 2.78Å; E2153-K2206 PolarHBondContact OE1-NZ 2.67Å; E2153-K2206 IonicContact OE2-NZ 3.72Å; E2153-K2206 PolarHBondContact OE2-NZ 2.81Å |
| 2154 | A | 78.9 | Confident | 81 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 2% | 0.017 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 7.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | I2093 G2150 L2151 L2152 S2156 L2200 W2203 | I2093-A2154 HydrophobicContact CD1-CB 3.58Å; I2093-A2154 HydrophobicContact CG1-CB 3.89Å; G2150-A2154 PolarHBondContact O-N 2.97Å; L2151-A2154 PolarHBondContact O-N 3.28Å; L2152-A2154 PolarHBondContact O-N 3.44Å; A2154-S2156 VanDerWaalsContact C-N 3.3Å; A2154-S2156 PolarHBondContact O-N 2.84Å; A2154-L2200 HydrophobicContact CB-CD2 4.08Å; A2154-W2203 HydrophobicContact CB-CD2 3.87Å; A2154-W2203 HydrophobicContact CB-CE3 4.39Å; A2154-W2203 HydrophobicContact CB-CG 4.15Å; A2154-W2203 HydrophobicContact CB-CH2 4.45Å; A2154-W2203 HydrophobicContact CB-CZ2 3.89Å |
| 2155 | D | 79.4 | Confident | 80.7 | Confident | 83 Ų | 83 | 39 Ų | 39 | 44% | 0.444 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 47.9 | -173.1 | -61 | -38.9 | 0 | 0 | 0 | 112.5 | L2151 L2152 V2157 F2188 | L2151-D2155 PolarHBondContact O-N 2.98Å; L2152-D2155 PolarHBondContact O-N 3.04Å; D2155-V2157 PolarHBondContact O-N 3.04Å; D2155-F2188 VanDerWaalsContact OD1-CE1 3.29Å; D2155-F2188 WeakPolarHBondContact OD1-CE1 3.29Å; D2155-F2188 VanDerWaalsContact OD1-CZ 3.23Å; D2155-F2188 WeakPolarHBondContact OD1-CZ 3.31Å |
| 2156 | S | 81.4 | Confident | 80.8 | Confident | 10 Ų | 10 | 37.3 Ų | 37.3 | 7% | 0.07 | 20% | 0.197 | C | C | . | . | trans | -62.3 | 116.6 | -178.6 | 174.7 | 0 | 0 | 0 | 0 | 112.2 | E2096 L2151 A2154 L2159 | E2096-S2156 WeakPolarHBondContact OE1-CA 3.35Å; E2096-S2156 WeakPolarHBondContact OE1-CB 3.3Å; E2096-S2156 PolarHBondContact OE1-OG 3.41Å; E2096-S2156 WeakPolarHBondContact OE2-CA 3.44Å; L2151-S2156 WeakPolarHBondContact O-CB 3.46Å; L2151-S2156 PolarHBondContact O-N 3.37Å; A2154-S2156 VanDerWaalsContact C-N 3.3Å; A2154-S2156 PolarHBondContact O-N 2.84Å; S2156-L2159 WeakPolarHBondContact O-CB 3.39Å; S2156-L2159 PolarHBondContact OG-N 2.88Å | ||
| 2157 | V | 75.8 | Confident | 80.5 | Confident | 77 Ų | 77 | 41 Ų | 41 | 47% | 0.467 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -72.1 | -33.2 | -179.5 | -172.4 | 0 | 0 | 0 | 0 | 111.4 | E2096 D2155 L2159 T2160 A2195 | E2096-V2157 PolarHBondContact OE1-N 3.34Å; E2096-V2157 PolarHBondContact OE2-N 3.37Å; D2155-V2157 PolarHBondContact O-N 3.04Å; V2157-L2159 VanDerWaalsContact C-N 3.34Å; V2157-T2160 PolarHBondContact O-OG1 2.86Å; V2157-T2160 VanDerWaalsContact O-OG1 3.09Å; V2157-A2195 HydrophobicContact CG2-CB 4.12Å |
| 2158 | V | 78.9 | Confident | 80 | Confident | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.03 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -16.3 | -176 | -175.9 | 0 | 0 | 0 | 0 | 112 | E2096 L2099 V2115 M2116 T2160 R2161 L2162 | E2096-V2158 HydrophobicContact CG-CB 4.36Å; E2096-V2158 HydrophobicContact CG-CG2 3.67Å; E2096-V2158 WeakPolarHBondContact OE1-CB 3.23Å; E2096-V2158 WeakPolarHBondContact OE1-CG2 3.43Å; E2096-V2158 PolarHBondContact OE1-N 3.32Å; L2099-V2158 HydrophobicContact CD1-CG2 4.27Å; V2115-V2158 HydrophobicContact CB-CG1 4.46Å; V2115-V2158 HydrophobicContact CG1-CG1 3.73Å; M2116-V2158 HydrophobicContact SD-CG1 4.39Å; V2158-T2160 VanDerWaalsContact C-N 3.25Å; V2158-T2160 PolarHBondContact O-N 2.76Å; V2158-R2161 WeakPolarHBondContact O-CB 3.39Å; V2158-R2161 PolarHBondContact O-N 3.31Å; V2158-L2162 HydrophobicContact CG1-CD1 3.98Å; V2158-L2162 HydrophobicContact CG1-CG 4.02Å; V2158-L2162 PolarHBondContact O-N 2.97Å |
| 2159 | L | 78.7 | Confident | 79.9 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -52.9 | -39.9 | 177.3 | -177.3 | 64.1 | 0 | 0 | 0 | 113.3 | V2148 L2151 L2152 S2156 V2157 R2161 L2162 Y2163 W2166 L2185 | V2148-L2159 HydrophobicContact CG1-CD1 4.42Å; L2151-L2159 HydrophobicContact CB-CD1 4.28Å; L2151-L2159 HydrophobicContact CB-CD2 4.36Å; L2151-L2159 HydrophobicContact CD1-CD1 4.21Å; L2152-L2159 HydrophobicContact CD2-CD2 3.43Å; L2152-L2159 VanDerWaalsContact CD2-CD2 3.43Å; L2152-L2159 HydrophobicContact CG-CD2 3.54Å; S2156-L2159 WeakPolarHBondContact O-CB 3.39Å; S2156-L2159 PolarHBondContact OG-N 2.88Å; V2157-L2159 VanDerWaalsContact C-N 3.34Å; L2159-R2161 VanDerWaalsContact C-N 3.27Å; L2159-R2161 PolarHBondContact O-N 2.79Å; L2159-L2162 PolarHBondContact O-N 2.99Å; L2159-Y2163 PolarHBondContact O-N 2.58Å; L2159-W2166 HydrophobicContact CD1-CE3 4.38Å; L2159-W2166 HydrophobicContact CD1-CH2 4.27Å; L2159-W2166 HydrophobicContact CD1-CZ3 3.57Å; L2159-L2185 HydrophobicContact CD2-CD2 3.85Å; L2159-L2185 HydrophobicContact CG-CD2 4Å |
| 2160 | T | 74.6 | Confident | 79.5 | Confident | 58 Ų | 58 | 42.1 Ų | 42.1 | 36% | 0.356 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59 | -36.2 | 176 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | V2157 V2158 E2189 | V2157-T2160 PolarHBondContact O-OG1 2.86Å; V2157-T2160 VanDerWaalsContact O-OG1 3.09Å; V2158-T2160 VanDerWaalsContact C-N 3.25Å; V2158-T2160 PolarHBondContact O-N 2.76Å; T2160-E2189 HydrophobicContact CG2-CG 4.38Å |
| 2161 | R | 78 | Confident | 78.9 | Confident | 145 Ų | 145 | 44.1 Ų | 44.1 | 55% | 0.547 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -79.4 | -34 | 176.8 | -61.4 | -174.3 | 178.3 | -162.4 | -0.4 | 112.3 | M2116 V2158 L2159 | M2116-R2161 HydrophobicContact CE-CB 4.44Å; M2116-R2161 HydrophobicContact SD-CB 4.03Å; V2158-R2161 WeakPolarHBondContact O-CB 3.39Å; V2158-R2161 PolarHBondContact O-N 3.31Å; L2159-R2161 VanDerWaalsContact C-N 3.27Å; L2159-R2161 PolarHBondContact O-N 2.79Å |
| 2162 | L | 83.1 | Confident | 78.1 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.5 | -30.9 | 177.7 | -68.7 | 168.4 | 0 | 0 | 0 | 112.2 | T2092 V2115 M2116 W2119 V2158 L2159 A2164 M2165 W2166 | T2092-L2162 HydrophobicContact CG2-CD1 4.16Å; V2115-L2162 HydrophobicContact CG1-CD1 4.28Å; M2116-L2162 HydrophobicContact SD-CD2 3.88Å; M2116-L2162 HydrophobicContact SD-CG 4.39Å; W2119-L2162 HydrophobicContact CB-CD2 3.61Å; W2119-L2162 VanDerWaalsContact CD1-CD2 3.45Å; W2119-L2162 HydrophobicContact CG-CD1 4.46Å; W2119-L2162 HydrophobicContact CG-CD2 3.63Å; V2158-L2162 HydrophobicContact CG1-CD1 3.98Å; V2158-L2162 HydrophobicContact CG1-CG 4.02Å; V2158-L2162 PolarHBondContact O-N 2.97Å; L2159-L2162 PolarHBondContact O-N 2.99Å; L2162-A2164 VanDerWaalsContact C-N 3.29Å; L2162-A2164 PolarHBondContact O-N 2.77Å; L2162-M2165 WeakPolarHBondContact O-CA 3.37Å; L2162-M2165 WeakPolarHBondContact O-CB 3.47Å; L2162-M2165 PolarHBondContact O-N 2.78Å; L2162-W2166 HydrophobicContact CB-CD2 4.03Å; L2162-W2166 HydrophobicContact CB-CE3 4.15Å; L2162-W2166 HydrophobicContact CB-CH2 3.92Å; L2162-W2166 HydrophobicContact CB-CZ2 3.76Å; L2162-W2166 HydrophobicContact CB-CZ3 4.12Å; L2162-W2166 HydrophobicContact CD1-CH2 3.8Å; L2162-W2166 HydrophobicContact CD1-CZ2 3.73Å; L2162-W2166 HydrophobicContact CD2-CZ2 4.16Å; L2162-W2166 HydrophobicContact CG-CH2 4.4Å; L2162-W2166 HydrophobicContact CG-CZ2 4.08Å; L2162-W2166 WeakPolarHBondContact O-CB 3.39Å; L2162-W2166 PolarHBondContact O-N 3.03Å |
| 2163 | Y | 76 | Confident | 77.3 | Confident | 51 Ų | 51 | 50.5 Ų | 50.5 | 20% | 0.2 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -51.7 | -45.1 | 176.4 | 179.1 | -117.5 | 0 | 0 | 0 | 113.1 | L2159 M2165 W2166 Y2167 L2170 I2177 L2185 | L2159-Y2163 PolarHBondContact O-N 2.58Å; Y2163-M2165 VanDerWaalsContact C-N 3.29Å; Y2163-M2165 PolarHBondContact O-N 3.11Å; Y2163-W2166 PolarHBondContact O-N 3.33Å; Y2163-Y2167 PolarHBondContact O-N 2.8Å; Y2163-L2170 HydrophobicContact CD2-CD1 4.14Å; Y2163-L2170 HydrophobicContact CE2-CD1 3.99Å; Y2163-I2177 HydrophobicContact CE2-CD1 4Å; Y2163-L2185 HydrophobicContact CD2-CD1 3.89Å; Y2163-L2185 HydrophobicContact CE2-CD1 3.85Å |
| 2164 | A | 77.1 | Confident | 76.3 | Confident | 80 Ų | 80 | 49.7 Ų | 49.7 | 66% | 0.661 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62.8 | -32.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L2162 | L2162-A2164 VanDerWaalsContact C-N 3.29Å; L2162-A2164 PolarHBondContact O-N 2.77Å |
| 2165 | M | 81.6 | Confident | 75.3 | Confident | 49 Ų | 49 | 55.5 Ų | 55.5 | 24% | 0.241 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -79.5 | -32.3 | 176 | -177.7 | -177.9 | -73.4 | 0 | 0 | 112.3 | M2116 W2119 A2120 L2162 Y2163 P2168 | M2116-M2165 HydrophobicContact CE-CE 3.82Å; W2119-M2165 VanDerWaalsContact C-SD 3.55Å; W2119-M2165 HydrophobicContact CB-SD 3.93Å; A2120-M2165 HydrophobicContact CB-CE 3.79Å; A2120-M2165 HydrophobicContact CB-SD 4.25Å; A2120-M2165 PolarHBondContact N-SD 3.5Å; A2120-M2165 VanDerWaalsContact N-SD 3.43Å; L2162-M2165 WeakPolarHBondContact O-CA 3.37Å; L2162-M2165 WeakPolarHBondContact O-CB 3.47Å; L2162-M2165 PolarHBondContact O-N 2.78Å; Y2163-M2165 VanDerWaalsContact C-N 3.29Å; Y2163-M2165 PolarHBondContact O-N 3.11Å; M2165-P2168 VanDerWaalsContact O-CD 3.31Å; M2165-P2168 WeakPolarHBondContact O-CD 3.45Å |
| 2166 | W | 85.6 | Confident | 74.3 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 1% | 0.011 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -90.5 | -8.5 | -176.3 | -66.3 | -12.1 | 0 | 0 | 0 | 114.7 | W2119 F2144 V2148 L2151 L2159 L2162 Y2163 P2168 I2169 L2170 | W2119-W2166 AromaticContact CD2-CZ2 3.47Å; W2119-W2166 HydrophobicContact CD2-CZ2 3.47Å; W2119-W2166 VanDerWaalsContact CD2-CZ2 3.47Å; W2119-W2166 AromaticContact CD2-NE1 3.92Å; W2119-W2166 AromaticContact CE2-CZ2 3.45Å; W2119-W2166 VanDerWaalsContact CE2-CZ2 3.45Å; W2119-W2166 AromaticContact CE3-CE2 3.84Å; W2119-W2166 AromaticContact CE3-CZ2 3.62Å; W2119-W2166 HydrophobicContact CE3-CZ2 3.62Å; W2119-W2166 AromaticContact CE3-NE1 3.57Å; W2119-W2166 HydrophobicContact CG-CZ2 4.02Å; W2119-W2166 HydrophobicContact CH2-CH2 4.14Å; W2119-W2166 AromaticContact CH2-CZ2 3.64Å; W2119-W2166 HydrophobicContact CH2-CZ2 3.64Å; W2119-W2166 AromaticContact CZ2-CH2 3.95Å; W2119-W2166 HydrophobicContact CZ2-CH2 3.95Å; W2119-W2166 AromaticContact CZ2-CZ2 3.53Å; W2119-W2166 HydrophobicContact CZ2-CZ2 3.53Å; W2119-W2166 AromaticContact CZ3-CZ2 3.7Å; W2119-W2166 HydrophobicContact CZ3-CZ2 3.7Å; F2144-W2166 AromaticContact CE2-CD2 3.85Å; F2144-W2166 HydrophobicContact CE2-CD2 3.85Å; F2144-W2166 HydrophobicContact CE2-CE3 4.03Å; F2144-W2166 HydrophobicContact CE2-CG 4.21Å; F2144-W2166 HydrophobicContact CE2-CZ3 4.42Å; F2144-W2166 HydrophobicContact CZ-CB 3.85Å; F2144-W2166 AromaticContact CZ-CD2 3.51Å; F2144-W2166 HydrophobicContact CZ-CD2 3.51Å; F2144-W2166 AromaticContact CZ-CE3 3.57Å; F2144-W2166 HydrophobicContact CZ-CE3 3.57Å; F2144-W2166 AromaticContact CZ-CG 3.65Å; F2144-W2166 HydrophobicContact CZ-CG 3.65Å; F2144-W2166 HydrophobicContact CZ-CZ3 4.3Å; V2148-W2166 HydrophobicContact CG2-CE3 4.1Å; V2148-W2166 HydrophobicContact CG2-CZ3 3.88Å; L2151-W2166 HydrophobicContact CD1-CH2 3.76Å; L2151-W2166 HydrophobicContact CD1-CZ3 4.3Å; L2159-W2166 HydrophobicContact CD1-CE3 4.38Å; L2159-W2166 HydrophobicContact CD1-CH2 4.27Å; L2159-W2166 HydrophobicContact CD1-CZ3 3.57Å; L2162-W2166 HydrophobicContact CB-CD2 4.03Å; L2162-W2166 HydrophobicContact CB-CE3 4.15Å; L2162-W2166 HydrophobicContact CB-CH2 3.92Å; L2162-W2166 HydrophobicContact CB-CZ2 3.76Å; L2162-W2166 HydrophobicContact CB-CZ3 4.12Å; L2162-W2166 HydrophobicContact CD1-CH2 3.8Å; L2162-W2166 HydrophobicContact CD1-CZ2 3.73Å; L2162-W2166 HydrophobicContact CD2-CZ2 4.16Å; L2162-W2166 HydrophobicContact CG-CH2 4.4Å; L2162-W2166 HydrophobicContact CG-CZ2 4.08Å; L2162-W2166 WeakPolarHBondContact O-CB 3.39Å; L2162-W2166 PolarHBondContact O-N 3.03Å; Y2163-W2166 PolarHBondContact O-N 3.33Å; W2166-P2168 VanDerWaalsContact C-N 3.26Å; W2166-I2169 HydrophobicContact CB-CD1 4.38Å; W2166-I2169 HydrophobicContact CG-CD1 4.2Å; W2166-I2169 WeakPolarHBondContact O-CA 3.46Å; W2166-I2169 WeakPolarHBondContact O-CB 3.35Å; W2166-I2169 PolarHBondContact O-N 3.2Å; W2166-L2170 PolarHBondContact O-N 3.23Å |
| 2167 | Y | 78.3 | Confident | 73.4 | Confident | 135 Ų | 135 | 58.7 Ų | 58.7 | 53% | 0.529 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -47 | -42.3 | 175 | -175.1 | -93.5 | 0 | 0 | 0 | 113.4 | Y2163 I2169 L2170 A2171 I2177 | Y2163-Y2167 PolarHBondContact O-N 2.8Å; Y2167-I2169 PolarHBondContact O-N 3.37Å; Y2167-L2170 PolarHBondContact O-N 2.86Å; Y2167-A2171 HydrophobicContact CE1-CB 4.35Å; Y2167-A2171 VanDerWaalsContact O-CB 3.22Å; Y2167-A2171 WeakPolarHBondContact O-CB 3.33Å; Y2167-A2171 PolarHBondContact O-N 3.3Å; Y2167-I2177 HydrophobicContact CD2-CD1 4.35Å; Y2167-I2177 HydrophobicContact CE2-CD1 4.39Å |
| 2168 | P | 76.1 | Confident | 72.8 | Confident | 64 Ų | 64 | 57 Ų | 57 | 42% | 0.416 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.8 | -33.4 | 174.1 | -21.2 | 34.9 | 0 | 0 | 0 | 114.2 | L2127 M2165 W2166 A2172 | L2127-P2168 HydrophobicContact CD2-CB 4.34Å; M2165-P2168 VanDerWaalsContact O-CD 3.31Å; M2165-P2168 WeakPolarHBondContact O-CD 3.45Å; W2166-P2168 VanDerWaalsContact C-N 3.26Å; P2168-A2172 WeakPolarHBondContact O-CB 3.49Å; P2168-A2172 PolarHBondContact O-N 3.15Å |
| 2169 | I | 80.3 | Confident | 72.1 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.2 | -50.3 | 176.2 | -56.1 | 175.7 | 0 | 0 | 0 | 109.1 | T2123 I2126 L2127 L2130 F2144 W2166 Y2167 A2171 A2172 | T2123-I2169 HydrophobicContact CG2-CD1 3.96Å; T2123-I2169 HydrophobicContact CG2-CG1 4.17Å; I2126-I2169 HydrophobicContact CB-CD1 4.31Å; I2126-I2169 HydrophobicContact CD1-CD1 4.24Å; I2126-I2169 HydrophobicContact CG2-CD1 4.12Å; I2126-I2169 HydrophobicContact CG2-CG1 4.42Å; I2126-I2169 HydrophobicContact CG2-CG2 3.79Å; L2127-I2169 HydrophobicContact CD2-CB 4.44Å; L2127-I2169 HydrophobicContact CD2-CG1 3.94Å; L2127-I2169 HydrophobicContact CG-CG1 4.13Å; L2130-I2169 HydrophobicContact CD1-CG2 3.83Å; F2144-I2169 HydrophobicContact CD1-CG2 3.79Å; F2144-I2169 HydrophobicContact CE1-CB 4.17Å; F2144-I2169 HydrophobicContact CE1-CG2 3.69Å; F2144-I2169 HydrophobicContact CE2-CD1 4.06Å; F2144-I2169 HydrophobicContact CE2-CG2 4.48Å; F2144-I2169 HydrophobicContact CG-CG2 4.23Å; F2144-I2169 HydrophobicContact CZ-CB 4.32Å; F2144-I2169 HydrophobicContact CZ-CD1 3.98Å; F2144-I2169 HydrophobicContact CZ-CG2 4.05Å; W2166-I2169 HydrophobicContact CB-CD1 4.38Å; W2166-I2169 HydrophobicContact CG-CD1 4.2Å; W2166-I2169 WeakPolarHBondContact O-CA 3.46Å; W2166-I2169 WeakPolarHBondContact O-CB 3.35Å; W2166-I2169 PolarHBondContact O-N 3.2Å; Y2167-I2169 PolarHBondContact O-N 3.37Å; I2169-A2171 PolarHBondContact O-N 3.17Å; I2169-A2172 PolarHBondContact O-N 3.42Å |
| 2170 | L | 75.2 | Confident | 71.5 | Confident | 16 Ų | 16 | 64.7 Ų | 64.7 | 8% | 0.084 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.8 | -37.6 | -178.5 | -67.7 | 170 | 0 | 0 | 0 | 112.4 | F2144 Y2163 W2166 Y2167 I2177 | F2144-L2170 HydrophobicContact CD1-CD2 4.17Å; F2144-L2170 HydrophobicContact CE1-CD2 3.67Å; F2144-L2170 HydrophobicContact CE1-CG 3.97Å; Y2163-L2170 HydrophobicContact CD2-CD1 4.14Å; Y2163-L2170 HydrophobicContact CE2-CD1 3.99Å; W2166-L2170 PolarHBondContact O-N 3.23Å; Y2167-L2170 PolarHBondContact O-N 2.86Å; L2170-I2177 HydrophobicContact CB-CD1 4.12Å; L2170-I2177 HydrophobicContact CB-CG1 4.11Å; L2170-I2177 HydrophobicContact CD1-CD1 4.08Å |
| 2171 | A | 72.5 | Confident | 70.9 | Confident | 44 Ų | 44 | 62.1 Ų | 62.1 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -84.5 | -16.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y2167 I2169 Y2173 | Y2167-A2171 HydrophobicContact CE1-CB 4.35Å; Y2167-A2171 VanDerWaalsContact O-CB 3.22Å; Y2167-A2171 WeakPolarHBondContact O-CB 3.33Å; Y2167-A2171 PolarHBondContact O-N 3.3Å; I2169-A2171 PolarHBondContact O-N 3.17Å; A2171-Y2173 VanDerWaalsContact C-N 3.27Å; A2171-Y2173 PolarHBondContact O-N 2.78Å |
| 2172 | A | 68.3 | Low | 70.3 | Confident | 56 Ų | 56 | 58.9 Ų | 58.9 | 46% | 0.463 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -29.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114 | L2130 P2168 I2169 | L2130-A2172 HydrophobicContact CD1-CB 4.15Å; P2168-A2172 WeakPolarHBondContact O-CB 3.49Å; P2168-A2172 PolarHBondContact O-N 3.15Å; I2169-A2172 PolarHBondContact O-N 3.42Å |
| 2173 | Y | 63.1 | Low | 69.5 | Low | 90 Ų | 90 | 63.4 Ų | 63.4 | 35% | 0.353 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | -14.1 | -173.3 | -123.2 | -91.8 | 0 | 0 | 0 | 115.1 | K2134 A2137 N2141 A2171 | K2134-Y2173 VanDerWaalsContact CA-OH 3.31Å; K2134-Y2173 WeakPolarHBondContact CA-OH 3.47Å; K2134-Y2173 WeakPolarHBondContact CB-OH 3.34Å; K2134-Y2173 HydrophobicContact CG-CE1 4.08Å; A2137-Y2173 HydrophobicContact CB-CD1 4.25Å; A2137-Y2173 HydrophobicContact CB-CD2 3.71Å; A2137-Y2173 HydrophobicContact CB-CE1 4.03Å; A2137-Y2173 HydrophobicContact CB-CE2 3.45Å; A2137-Y2173 VanDerWaalsContact CB-CE2 3.45Å; A2137-Y2173 HydrophobicContact CB-CG 4.1Å; N2141-Y2173 VanDerWaalsContact ND2-CB 3.34Å; N2141-Y2173 WeakPolarHBondContact ND2-CB 3.42Å; A2171-Y2173 VanDerWaalsContact C-N 3.27Å; A2171-Y2173 PolarHBondContact O-N 2.78Å |
| 2174 | H | 58.6 | Low | 68.8 | Low | 70 Ų | 70 | 66.9 Ų | 66.9 | 32% | 0.324 | 38% | 0.375 | S | S | . | . | trans | -118.9 | 119 | 174.9 | -61.8 | -15.2 | 0 | 0 | 0 | 108.1 | N2176 | H2174-N2176 WeakPolarHBondContact CB-O 3.4Å; H2174-N2176 PolarHBondContact O-N 2.69Å; H2174-N2176 VanDerWaalsContact O-N 3.09Å | ||
| 2175 | S | 58.7 | Low | 68 | Low | 124 Ų | 124 | 63.7 Ų | 63.7 | 87% | 0.867 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -63.2 | -16.9 | -178.1 | 50.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 2176 | N | 58.6 | Low | 67.2 | Low | 138 Ų | 138 | 64.6 Ų | 64.6 | 74% | 0.738 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -141.7 | 146.2 | 161.8 | -74.1 | -57.1 | 0 | 0 | 0 | 109 | H2174 | H2174-N2176 WeakPolarHBondContact CB-O 3.4Å; H2174-N2176 PolarHBondContact O-N 2.69Å; H2174-N2176 VanDerWaalsContact O-N 3.09Å |
| 2177 | I | 62.3 | Low | 66.1 | Low | 22 Ų | 22 | 71.2 Ų | 71.2 | 11% | 0.113 | 38% | 0.382 | C | S | . | . | trans | -61.7 | 138.7 | 171.8 | -55.6 | 178.7 | 0 | 0 | 0 | 108.7 | Y2163 Y2167 L2170 S2179 L2181 | Y2163-I2177 HydrophobicContact CE2-CD1 4Å; Y2167-I2177 HydrophobicContact CD2-CD1 4.35Å; Y2167-I2177 HydrophobicContact CE2-CD1 4.39Å; L2170-I2177 HydrophobicContact CB-CD1 4.12Å; L2170-I2177 HydrophobicContact CB-CG1 4.11Å; L2170-I2177 HydrophobicContact CD1-CD1 4.08Å; I2177-S2179 PolarHBondContact O-N 3.03Å; I2177-L2181 HydrophobicContact CG2-CB 4.41Å | ||
| 2178 | P | 62.5 | Low | 65 | Low | 41 Ų | 41 | 67.6 Ų | 67.6 | 27% | 0.266 | 37% | 0.369 | S | S | . | . | trans | -55.1 | 128 | 177 | -24.5 | 33.2 | 0 | 0 | 0 | 111.2 | H2180 L2181 M2182 | P2178-H2180 PolarHBondContact O-N 2.77Å; P2178-H2180 VanDerWaalsContact O-N 3.12Å; P2178-L2181 HydrophobicContact CB-CD1 4.1Å; P2178-L2181 HydrophobicContact CG-CD1 4.15Å; P2178-L2181 WeakPolarHBondContact O-CB 3.43Å; P2178-L2181 PolarHBondContact O-N 3.33Å; P2178-M2182 PolarHBondContact O-N 3.3Å; P2178-M2182 VanDerWaalsContact O-N 3.13Å | ||
| 2179 | S | 64.7 | Low | 64 | Low | 88 Ų | 88 | 70.1 Ų | 70.1 | 62% | 0.615 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.1 | -26.4 | -169.4 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | I2177 M2182 V2183 | I2177-S2179 PolarHBondContact O-N 3.03Å; S2179-M2182 PolarHBondContact O-N 3.13Å; S2179-V2183 WeakPolarHBondContact O-CB 3.4Å; S2179-V2183 VanDerWaalsContact O-CG2 3.23Å; S2179-V2183 WeakPolarHBondContact O-CG2 3.45Å; S2179-V2183 PolarHBondContact O-N 3.36Å |
| 2180 | H | 66.6 | Low | 62.7 | Low | 85 Ų | 85 | 76.8 Ų | 76.8 | 39% | 0.394 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.2 | -33.8 | 175.7 | 90.5 | -77.2 | 0 | 0 | 0 | 112.8 | E2149 P2178 R2184 | E2149-H2180 IonicContact OE1-CD2 2.69Å; E2149-H2180 IonicContact OE1-CE1 3.69Å; E2149-H2180 IonicContact OE1-NE2 3.81Å; E2149-H2180 PolarHBondContact OE1-NE2 3.18Å; P2178-H2180 PolarHBondContact O-N 2.77Å; P2178-H2180 VanDerWaalsContact O-N 3.12Å; H2180-R2184 WeakPolarHBondContact O-CB 3.44Å; H2180-R2184 VanDerWaalsContact O-CG 3.31Å; H2180-R2184 WeakPolarHBondContact O-CG 3.43Å; H2180-R2184 PolarHBondContact O-N 2.83Å |
| 2181 | L | 61 | Low | 61.3 | Low | 3 Ų | 3 | 77.4 Ų | 77.4 | 2% | 0.016 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -73.5 | -42.9 | 173.7 | -87.1 | 138.7 | 0 | 0 | 0 | 111.1 | L2145 V2148 E2149 L2152 I2177 P2178 R2184 L2185 | L2145-L2181 HydrophobicContact CD1-CD1 3.3Å; L2145-L2181 HydrophobicContact CD1-CD2 4.34Å; L2145-L2181 HydrophobicContact CD1-CG 4.46Å; L2145-L2181 HydrophobicContact CD2-CD1 3.86Å; L2145-L2181 HydrophobicContact CG-CD1 3.62Å; V2148-L2181 HydrophobicContact CB-CD2 4.27Å; V2148-L2181 HydrophobicContact CG1-CD2 3.59Å; E2149-L2181 HydrophobicContact CG-CD2 4.14Å; L2152-L2181 HydrophobicContact CD1-CD2 4.23Å; I2177-L2181 HydrophobicContact CG2-CB 4.41Å; P2178-L2181 HydrophobicContact CB-CD1 4.1Å; P2178-L2181 HydrophobicContact CG-CD1 4.15Å; P2178-L2181 WeakPolarHBondContact O-CB 3.43Å; P2178-L2181 PolarHBondContact O-N 3.33Å; L2181-R2184 PolarHBondContact O-N 3.45Å; L2181-L2185 WeakPolarHBondContact O-CB 3.24Å; L2181-L2185 WeakPolarHBondContact O-CD1 3.09Å; L2181-L2185 VanDerWaalsContact O-CG 3.26Å; L2181-L2185 WeakPolarHBondContact O-CG 3.37Å; L2181-L2185 PolarHBondContact O-N 3.29Å |
| 2182 | M | 66.5 | Low | 60.2 | Low | 78 Ų | 78 | 81.7 Ų | 81.7 | 38% | 0.384 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 176.5 | -161.9 | 167.2 | 71.8 | 0 | 0 | 110.5 | P2178 S2179 R2184 L2185 D2186 | P2178-M2182 PolarHBondContact O-N 3.3Å; P2178-M2182 VanDerWaalsContact O-N 3.13Å; S2179-M2182 PolarHBondContact O-N 3.13Å; M2182-R2184 VanDerWaalsContact C-N 3.31Å; M2182-R2184 PolarHBondContact O-N 2.66Å; M2182-L2185 PolarHBondContact O-N 3.04Å; M2182-D2186 WeakPolarHBondContact O-CB 3.18Å; M2182-D2186 PolarHBondContact O-N 2.94Å |
| 2183 | V | 65.3 | Low | 59.1 | Low | 94 Ų | 94 | 86.8 Ų | 86.8 | 57% | 0.57 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -59.8 | -37.9 | 174.1 | 168.9 | 0 | 0 | 0 | 0 | 112.5 | S2179 F2187 | S2179-V2183 WeakPolarHBondContact O-CB 3.4Å; S2179-V2183 VanDerWaalsContact O-CG2 3.23Å; S2179-V2183 WeakPolarHBondContact O-CG2 3.45Å; S2179-V2183 PolarHBondContact O-N 3.36Å; V2183-F2187 VanDerWaalsContact O-CB 3.24Å; V2183-F2187 WeakPolarHBondContact O-CB 3.43Å; V2183-F2187 PolarHBondContact O-N 3.11Å |
| 2184 | R | 60.9 | Low | 58.5 | Low | 124 Ų | 124 | 87.4 Ų | 87.4 | 47% | 0.468 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.7 | -44.8 | 174.9 | -82.5 | 175.6 | 161.9 | 177.8 | -8 | 112.2 | E2149 L2152 H2180 L2181 M2182 F2187 F2188 | E2149-R2184 IonicContact OE1-NH1 2.73Å; E2149-R2184 PolarHBondContact OE1-NH1 3.17Å; L2152-R2184 HydrophobicContact CD1-CB 4.05Å; L2152-R2184 HydrophobicContact CD2-CB 4.48Å; H2180-R2184 WeakPolarHBondContact O-CB 3.44Å; H2180-R2184 VanDerWaalsContact O-CG 3.31Å; H2180-R2184 WeakPolarHBondContact O-CG 3.43Å; H2180-R2184 PolarHBondContact O-N 2.83Å; L2181-R2184 PolarHBondContact O-N 3.45Å; M2182-R2184 VanDerWaalsContact C-N 3.31Å; M2182-R2184 PolarHBondContact O-N 2.66Å; R2184-F2187 WeakPolarHBondContact O-CB 3.23Å; R2184-F2187 PolarHBondContact O-N 3.21Å; R2184-F2188 WeakPolarHBondContact O-CD2 3.34Å; R2184-F2188 PolarHBondContact O-N 2.97Å; R2184-F2188 VanDerWaalsContact O-N 3.14Å |
| 2185 | L | 61.4 | Low | 58.3 | Low | 14 Ų | 14 | 85.2 Ų | 85.2 | 7% | 0.073 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.3 | -46 | 178.2 | -71.5 | 161.8 | 0 | 0 | 0 | 111.1 | L2152 L2159 Y2163 L2181 M2182 F2187 F2188 E2189 | L2152-L2185 HydrophobicContact CD2-CD2 4.32Å; L2159-L2185 HydrophobicContact CD2-CD2 3.85Å; L2159-L2185 HydrophobicContact CG-CD2 4Å; Y2163-L2185 HydrophobicContact CD2-CD1 3.89Å; Y2163-L2185 HydrophobicContact CE2-CD1 3.85Å; L2181-L2185 WeakPolarHBondContact O-CB 3.24Å; L2181-L2185 WeakPolarHBondContact O-CD1 3.09Å; L2181-L2185 VanDerWaalsContact O-CG 3.26Å; L2181-L2185 WeakPolarHBondContact O-CG 3.37Å; L2181-L2185 PolarHBondContact O-N 3.29Å; M2182-L2185 PolarHBondContact O-N 3.04Å; L2185-F2187 VanDerWaalsContact C-N 3.3Å; L2185-F2187 PolarHBondContact O-N 2.77Å; L2185-F2188 PolarHBondContact O-N 3.34Å; L2185-F2188 VanDerWaalsContact O-N 3.16Å; L2185-E2189 PolarHBondContact O-N 3.46Å |
| 2186 | D | 65.4 | Low | 58.1 | Low | 68 Ų | 68 | 83.8 Ų | 83.8 | 36% | 0.364 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.5 | -38.3 | 174.5 | -66.2 | -10.4 | 0 | 0 | 0 | 111.5 | M2182 F2188 E2189 N2190 | M2182-D2186 WeakPolarHBondContact O-CB 3.18Å; M2182-D2186 PolarHBondContact O-N 2.94Å; D2186-F2188 VanDerWaalsContact C-N 3.33Å; D2186-F2188 PolarHBondContact O-N 2.95Å; D2186-E2189 PolarHBondContact O-N 2.9Å; D2186-N2190 PolarHBondContact O-N 3.33Å; D2186-N2190 PolarHBondContact O-ND2 3.36Å |
| 2187 | F | 62.1 | Low | 57.9 | Low | 142 Ų | 142 | 80.7 Ų | 80.7 | 62% | 0.623 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.8 | -40.8 | 176.3 | -167.6 | -92 | 0 | 0 | 0 | 111.4 | V2183 R2184 L2185 N2190 S2191 | V2183-F2187 VanDerWaalsContact O-CB 3.24Å; V2183-F2187 WeakPolarHBondContact O-CB 3.43Å; V2183-F2187 PolarHBondContact O-N 3.11Å; R2184-F2187 WeakPolarHBondContact O-CB 3.23Å; R2184-F2187 PolarHBondContact O-N 3.21Å; L2185-F2187 VanDerWaalsContact C-N 3.3Å; L2185-F2187 PolarHBondContact O-N 2.77Å; F2187-N2190 PolarHBondContact O-N 3.17Å; F2187-S2191 WeakPolarHBondContact O-CB 3.34Å; F2187-S2191 PolarHBondContact O-N 3.21Å; F2187-S2191 PolarHBondContact O-OG 3.48Å |
| 2188 | F | 55.5 | Low | 58.4 | Low | 58 Ų | 58 | 81.5 Ų | 81.5 | 25% | 0.254 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -76.3 | -30.2 | 177.3 | -83.3 | -76.1 | 0 | 0 | 0 | 114.6 | L2152 D2155 R2184 L2185 D2186 N2190 S2191 | L2152-F2188 HydrophobicContact CD2-CD2 3.47Å; L2152-F2188 VanDerWaalsContact CD2-CD2 3.47Å; L2152-F2188 HydrophobicContact CD2-CE2 3.78Å; L2152-F2188 HydrophobicContact CD2-CG 4.35Å; D2155-F2188 VanDerWaalsContact OD1-CE1 3.29Å; D2155-F2188 WeakPolarHBondContact OD1-CE1 3.29Å; D2155-F2188 VanDerWaalsContact OD1-CZ 3.23Å; D2155-F2188 WeakPolarHBondContact OD1-CZ 3.31Å; R2184-F2188 WeakPolarHBondContact O-CD2 3.34Å; R2184-F2188 PolarHBondContact O-N 2.97Å; R2184-F2188 VanDerWaalsContact O-N 3.14Å; L2185-F2188 PolarHBondContact O-N 3.34Å; L2185-F2188 VanDerWaalsContact O-N 3.16Å; D2186-F2188 VanDerWaalsContact C-N 3.33Å; D2186-F2188 PolarHBondContact O-N 2.95Å; F2188-N2190 PolarHBondContact O-N 2.91Å; F2188-S2191 CarbonylContact O-C 3.43Å; F2188-S2191 PolarHBondContact O-N 3.23Å |
| 2189 | E | 54.5 | Low | 58.9 | Low | 118 Ų | 118 | 85 Ų | 85 | 55% | 0.551 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -56.7 | -34.8 | 167.1 | -96.1 | -162.1 | 161.8 | 0 | 0 | 111.5 | T2160 L2185 D2186 | T2160-E2189 HydrophobicContact CG2-CG 4.38Å; L2185-E2189 PolarHBondContact O-N 3.46Å; D2186-E2189 PolarHBondContact O-N 2.9Å |
| 2190 | N | 52.4 | Low | 59.7 | Low | 139 Ų | 139 | 81.5 Ų | 81.5 | 74% | 0.743 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -89.2 | -19.1 | 179.1 | -69.9 | -76 | 0 | 0 | 0 | 113.8 | D2186 F2187 F2188 | D2186-N2190 PolarHBondContact O-N 3.33Å; D2186-N2190 PolarHBondContact O-ND2 3.36Å; F2187-N2190 PolarHBondContact O-N 3.17Å; F2188-N2190 PolarHBondContact O-N 2.91Å |
| 2191 | S | 46.6 | Very low | 60.4 | Low | 30 Ų | 30 | 79.7 Ų | 79.7 | 21% | 0.21 | 45% | 0.45 | C | S | . | . | trans | -106.1 | 66.7 | 178.1 | 78.4 | 0 | 0 | 0 | 0 | 112.6 | F2187 F2188 Q2193 | F2187-S2191 WeakPolarHBondContact O-CB 3.34Å; F2187-S2191 PolarHBondContact O-N 3.21Å; F2187-S2191 PolarHBondContact O-OG 3.48Å; F2188-S2191 CarbonylContact O-C 3.43Å; F2188-S2191 PolarHBondContact O-N 3.23Å; S2191-Q2193 PolarHBondContact O-N 3.4Å | ||
| 2192 | V | 48.7 | Very low | 61.4 | Low | 133 Ų | 133 | 83.5 Ų | 83.5 | 81% | 0.806 | 47% | 0.474 | S | S | * | . | trans | -71.5 | 70.3 | 166.1 | -171.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 2193 | Q | 45.2 | Very low | 62.4 | Low | 164 Ų | 164 | 80.1 Ų | 80.1 | 77% | 0.766 | 46% | 0.457 | S | S | * | . | trans | -71.9 | 143.2 | 170.5 | -67.9 | -160.5 | 8.9 | 0 | 0 | 109.9 | S2191 A2195 | S2191-Q2193 PolarHBondContact O-N 3.4Å; Q2193-A2195 PolarHBondContact O-N 3.04Å; Q2193-A2195 VanDerWaalsContact O-N 3.12Å | ||
| 2194 | S | 50.5 | Low | 63.5 | Low | 103 Ų | 103 | 75.8 Ų | 75.8 | 72% | 0.72 | 43% | 0.431 | S | S | * | . | trans | -64.5 | 111.6 | 171.7 | 177.3 | 0 | 0 | 0 | 0 | 109.1 | A2196 | S2194-A2196 PolarHBondContact O-N 3.44Š| ||
| 2195 | A | 53.9 | Low | 64.6 | Low | 23 Ų | 23 | 76.4 Ų | 76.4 | 19% | 0.19 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -62.8 | 2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | L2100 V2157 Q2193 G2197 R2198 | L2100-A2195 HydrophobicContact CD1-CB 3.94Å; L2100-A2195 HydrophobicContact CD2-CB 3.85Å; V2157-A2195 HydrophobicContact CG2-CB 4.12Å; Q2193-A2195 PolarHBondContact O-N 3.04Å; Q2193-A2195 VanDerWaalsContact O-N 3.12Å; A2195-G2197 PolarHBondContact O-N 2.98Å; A2195-R2198 PolarHBondContact O-N 3.02Å |
| 2196 | A | 55 | Low | 65.9 | Low | 95 Ų | 95 | 79.8 Ų | 79.8 | 79% | 0.785 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 17.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S2194 | S2194-A2196 PolarHBondContact O-N 3.44Š|
| 2197 | G | 55.9 | Low | 67.1 | Low | 73 Ų | 73 | 76.6 Ų | 76.6 | 75% | 0.753 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -153.5 | 18.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A2195 | A2195-G2197 PolarHBondContact O-N 2.98Š|
| 2198 | R | 72.2 | Confident | 68.3 | Low | 38 Ų | 38 | 69.8 Ų | 69.8 | 14% | 0.143 | 40% | 0.404 | C | S | . | . | trans | -74.9 | 125.3 | 177.6 | 70 | -177.7 | -173.2 | 179.5 | 2.7 | 110.9 | E2096 E2097 A2195 L2200 | E2096-R2198 IonicContact OE2-CZ 2.72Å; E2096-R2198 IonicContact OE2-NH1 3.65Å; E2096-R2198 PolarHBondContact OE2-NH1 3.36Å; E2096-R2198 IonicContact OE2-NH2 3.81Å; E2097-R2198 VanDerWaalsContact CD-NH2 3.33Å; E2097-R2198 IonicContact OE1-CZ 2.77Å; E2097-R2198 IonicContact OE1-NE 3.76Å; E2097-R2198 PolarHBondContact OE1-NE 3.43Å; E2097-R2198 IonicContact OE1-NH2 3.67Å; E2097-R2198 PolarHBondContact OE1-NH2 3Å; A2195-R2198 PolarHBondContact O-N 3.02Å; R2198-L2200 HydrophobicContact CG-CG 4.46Å | ||
| 2199 | D | 73.5 | Confident | 69.8 | Low | 115 Ų | 115 | 72.1 Ų | 72.1 | 62% | 0.615 | 41% | 0.414 | S | S | * | . | trans | -94.9 | 102.1 | 169.8 | 179.2 | 16.5 | 0 | 0 | 0 | 109.3 | S2201 P2202 | D2199-S2201 PolarHBondContact O-N 2.73Å; D2199-S2201 WeakPolarHBondContact OD1-CB 3.37Å; D2199-S2201 PolarHBondContact OD1-N 3.41Å; D2199-P2202 VanDerWaalsContact O-CD 3.29Å; D2199-P2202 WeakPolarHBondContact O-CD 3.16Å | ||
| 2200 | L | 80.7 | Confident | 71.4 | Confident | 14 Ų | 14 | 69.3 Ų | 69.3 | 7% | 0.073 | 40% | 0.401 | C | S | . | . | trans | -75.8 | -9 | 175.9 | -67.2 | 179.4 | 0 | 0 | 0 | 113.2 | L2037 I2093 E2097 A2154 R2198 W2203 L2204 | L2037-L2200 HydrophobicContact CD2-CD1 4.07Å; I2093-L2200 HydrophobicContact CG2-CD1 3.61Å; I2093-L2200 HydrophobicContact CG2-CD2 4.19Å; E2097-L2200 HydrophobicContact CG-CD1 3.88Å; E2097-L2200 VanDerWaalsContact OE1-CD1 3.26Å; E2097-L2200 WeakPolarHBondContact OE1-CD1 3.28Å; A2154-L2200 HydrophobicContact CB-CD2 4.08Å; R2198-L2200 HydrophobicContact CG-CG 4.46Å; L2200-W2203 HydrophobicContact CD2-CE3 4.47Å; L2200-W2203 PolarHBondContact O-N 2.82Å; L2200-W2203 VanDerWaalsContact O-N 3.13Å; L2200-L2204 HydrophobicContact CB-CD1 3.72Å; L2200-L2204 HydrophobicContact CB-CG 4.11Å; L2200-L2204 WeakPolarHBondContact O-CB 3.34Å; L2200-L2204 VanDerWaalsContact O-CG 3.25Å; L2200-L2204 WeakPolarHBondContact O-CG 3.48Å; L2200-L2204 PolarHBondContact O-N 3.42Å | ||
| 2201 | S | 80.7 | Confident | 73.3 | Confident | 48 Ų | 48 | 62.7 Ų | 62.7 | 34% | 0.336 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -54.4 | -44.3 | -175.7 | -172.6 | 0 | 0 | 0 | 0 | 114.2 | D2199 K2205 | D2199-S2201 PolarHBondContact O-N 2.73Å; D2199-S2201 WeakPolarHBondContact OD1-CB 3.37Å; D2199-S2201 PolarHBondContact OD1-N 3.41Å; S2201-K2205 WeakPolarHBondContact O-CB 3.2Å; S2201-K2205 VanDerWaalsContact O-CG 3.31Å; S2201-K2205 WeakPolarHBondContact O-CG 3.49Å; S2201-K2205 PolarHBondContact O-N 3.39Å |
| 2202 | P | 82 | Confident | 75.2 | Confident | 82 Ų | 82 | 61.7 Ų | 61.7 | 53% | 0.532 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 177 | -18.8 | 33.3 | 0 | 0 | 0 | 112.3 | D2199 K2206 | D2199-P2202 VanDerWaalsContact O-CD 3.29Å; D2199-P2202 WeakPolarHBondContact O-CD 3.16Å; P2202-K2206 WeakPolarHBondContact O-CB 3.36Å; P2202-K2206 PolarHBondContact O-N 3.47Å |
| 2203 | W | 88.1 | Confident | 77.1 | Confident | 7 Ų | 7 | 57.4 Ų | 57.4 | 3% | 0.027 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.3 | -44.3 | 179.5 | -177.5 | 84.8 | 0 | 0 | 0 | 111.9 | L2037 Q2089 L2090 I2093 G2150 A2154 L2200 K2206 I2207 | L2037-W2203 HydrophobicContact CD1-CZ3 4.44Å; Q2089-W2203 HydrophobicContact CB-CZ2 4.38Å; L2090-W2203 HydrophobicContact CD2-CH2 4.06Å; L2090-W2203 HydrophobicContact CD2-CZ3 3.97Å; I2093-W2203 HydrophobicContact CB-CH2 3.98Å; I2093-W2203 HydrophobicContact CB-CZ3 4.21Å; I2093-W2203 HydrophobicContact CG1-CH2 3.55Å; I2093-W2203 HydrophobicContact CG1-CZ2 3.99Å; I2093-W2203 HydrophobicContact CG1-CZ3 4.14Å; I2093-W2203 HydrophobicContact CG2-CH2 4.34Å; I2093-W2203 HydrophobicContact CG2-CZ3 4.09Å; G2150-W2203 PolarHBondContact O-NE1 2.88Å; A2154-W2203 HydrophobicContact CB-CD2 3.87Å; A2154-W2203 HydrophobicContact CB-CE3 4.39Å; A2154-W2203 HydrophobicContact CB-CG 4.15Å; A2154-W2203 HydrophobicContact CB-CH2 4.45Å; A2154-W2203 HydrophobicContact CB-CZ2 3.89Å; L2200-W2203 HydrophobicContact CD2-CE3 4.47Å; L2200-W2203 PolarHBondContact O-N 2.82Å; L2200-W2203 VanDerWaalsContact O-N 3.13Å; W2203-K2206 WeakPolarHBondContact O-CB 3.26Å; W2203-K2206 PolarHBondContact O-N 2.89Å; W2203-I2207 HydrophobicContact CD2-CD1 3.81Å; W2203-I2207 HydrophobicContact CD2-CG1 4.46Å; W2203-I2207 HydrophobicContact CE3-CD1 4.13Å; W2203-I2207 HydrophobicContact CH2-CD1 3.56Å; W2203-I2207 HydrophobicContact CZ2-CD1 3.19Å; W2203-I2207 HydrophobicContact CZ3-CD1 4.01Å; W2203-I2207 PolarHBondContact O-N 2.87Å |
| 2204 | L | 88.3 | Confident | 79.1 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.5 | -42 | 177.6 | -68.4 | 166.4 | 0 | 0 | 0 | 112 | L2037 L2090 L2200 K2206 I2207 G2208 | L2037-L2204 VanDerWaalsContact C-CD1 3.48Å; L2037-L2204 HydrophobicContact CB-CD1 3.76Å; L2037-L2204 HydrophobicContact CB-CD2 3.54Å; L2037-L2204 HydrophobicContact CB-CG 4.3Å; L2037-L2204 HydrophobicContact CD1-CD2 3.91Å; L2037-L2204 HydrophobicContact CG-CD2 4.33Å; L2037-L2204 VanDerWaalsContact O-CD1 3.28Å; L2037-L2204 WeakPolarHBondContact O-CD1 3.35Å; L2090-L2204 HydrophobicContact CD2-CD2 4.43Å; L2200-L2204 HydrophobicContact CB-CD1 3.72Å; L2200-L2204 HydrophobicContact CB-CG 4.11Å; L2200-L2204 WeakPolarHBondContact O-CB 3.34Å; L2200-L2204 VanDerWaalsContact O-CG 3.25Å; L2200-L2204 WeakPolarHBondContact O-CG 3.48Å; L2200-L2204 PolarHBondContact O-N 3.42Å; L2204-K2206 VanDerWaalsContact C-N 3.33Å; L2204-K2206 PolarHBondContact O-N 2.79Å; L2204-I2207 PolarHBondContact O-N 3.39Å; L2204-G2208 PolarHBondContact O-N 3.23Å |
| 2205 | K | 85 | Confident | 80.9 | Confident | 136 Ų | 136 | 45.9 Ų | 45.9 | 59% | 0.591 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.1 | -43.8 | 171.5 | -75.2 | 177.3 | -178.5 | -178.9 | 0 | 111.3 | S2201 F2209 | S2201-K2205 WeakPolarHBondContact O-CB 3.2Å; S2201-K2205 VanDerWaalsContact O-CG 3.31Å; S2201-K2205 WeakPolarHBondContact O-CG 3.49Å; S2201-K2205 PolarHBondContact O-N 3.39Å; K2205-F2209 VanDerWaalsContact O-CB 3.26Å; K2205-F2209 WeakPolarHBondContact O-CB 3.28Å; K2205-F2209 PolarHBondContact O-N 3.4Å |
| 2206 | K | 87.5 | Confident | 82.4 | Confident | 85 Ų | 85 | 45.7 Ų | 45.7 | 37% | 0.37 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 177.8 | -169.5 | -174.8 | -171.6 | -174.1 | 0 | 112.4 | E2153 P2202 W2203 L2204 K2210 | E2153-K2206 VanDerWaalsContact OE1-CD 3.25Å; E2153-K2206 WeakPolarHBondContact OE1-CD 3.28Å; E2153-K2206 WeakPolarHBondContact OE1-CE 3.29Å; E2153-K2206 IonicContact OE1-NZ 2.78Å; E2153-K2206 PolarHBondContact OE1-NZ 2.67Å; E2153-K2206 IonicContact OE2-NZ 3.72Å; E2153-K2206 PolarHBondContact OE2-NZ 2.81Å; P2202-K2206 WeakPolarHBondContact O-CB 3.36Å; P2202-K2206 PolarHBondContact O-N 3.47Å; W2203-K2206 WeakPolarHBondContact O-CB 3.26Å; W2203-K2206 PolarHBondContact O-N 2.89Å; L2204-K2206 VanDerWaalsContact C-N 3.33Å; L2204-K2206 PolarHBondContact O-N 2.79Å; K2206-K2210 WeakPolarHBondContact O-CB 3.5Å; K2206-K2210 VanDerWaalsContact O-CG 3.3Å; K2206-K2210 WeakPolarHBondContact O-CG 3.17Å; K2206-K2210 PolarHBondContact O-N 2.8Å |
| 2207 | I | 90.1 | Very high | 83.9 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -71.1 | -45.1 | 177.1 | -71.5 | -173.1 | 0 | 0 | 0 | 111.5 | I2034 L2090 W2203 L2204 F2209 K2210 I2211 | I2034-I2207 HydrophobicContact CD1-CG2 3.99Å; I2034-I2207 HydrophobicContact CG1-CG2 4.48Å; L2090-I2207 HydrophobicContact CD1-CG2 4.29Å; L2090-I2207 HydrophobicContact CD2-CG2 4.28Å; L2090-I2207 HydrophobicContact CG-CG2 4.48Å; W2203-I2207 HydrophobicContact CD2-CD1 3.81Å; W2203-I2207 HydrophobicContact CD2-CG1 4.46Å; W2203-I2207 HydrophobicContact CE3-CD1 4.13Å; W2203-I2207 HydrophobicContact CH2-CD1 3.56Å; W2203-I2207 HydrophobicContact CZ2-CD1 3.19Å; W2203-I2207 HydrophobicContact CZ3-CD1 4.01Å; W2203-I2207 PolarHBondContact O-N 2.87Å; L2204-I2207 PolarHBondContact O-N 3.39Å; I2207-F2209 VanDerWaalsContact C-N 3.28Å; I2207-F2209 PolarHBondContact O-N 3.3Å; I2207-K2210 PolarHBondContact O-N 2.89Å; I2207-K2210 VanDerWaalsContact O-N 3.12Å; I2207-I2211 HydrophobicContact CG2-CD1 3.88Å; I2207-I2211 HydrophobicContact CG2-CG1 4.2Å; I2207-I2211 WeakPolarHBondContact O-CG1 3.29Å; I2207-I2211 PolarHBondContact O-N 3.22Å |
| 2208 | G | 87.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.7 | -42.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L2204 G2212 | L2204-G2208 PolarHBondContact O-N 3.23Å; G2208-G2212 PolarHBondContact O-N 3.47Å |
| 2209 | F | 87.8 | Confident | 85.8 | Confident | 106 Ų | 106 | 41.4 Ų | 41.4 | 47% | 0.465 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.6 | -46.1 | 172.7 | -177.2 | -99.2 | 0 | 0 | 0 | 112.8 | T1970 K2205 I2207 I2211 G2212 Q2213 | T1970-F2209 HydrophobicContact CG2-CE2 4.47Å; K2205-F2209 VanDerWaalsContact O-CB 3.26Å; K2205-F2209 WeakPolarHBondContact O-CB 3.28Å; K2205-F2209 PolarHBondContact O-N 3.4Å; I2207-F2209 VanDerWaalsContact C-N 3.28Å; I2207-F2209 PolarHBondContact O-N 3.3Å; F2209-I2211 PolarHBondContact O-N 3.11Å; F2209-G2212 PolarHBondContact O-N 3.11Å; F2209-Q2213 HydrophobicContact CD1-CG 4.16Å; F2209-Q2213 HydrophobicContact CD2-CG 4.46Å; F2209-Q2213 HydrophobicContact CE1-CG 3.71Å; F2209-Q2213 HydrophobicContact CE2-CG 4.04Å; F2209-Q2213 HydrophobicContact CZ-CG 3.64Å; F2209-Q2213 WeakPolarHBondContact O-CB 3.44Å; F2209-Q2213 WeakPolarHBondContact O-CG 3.48Å; F2209-Q2213 PolarHBondContact O-N 3.41Å |
| 2210 | K | 88.6 | Confident | 86.2 | Confident | 60 Ų | 60 | 37.5 Ų | 37.5 | 26% | 0.261 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.3 | -47.5 | 175.8 | -78.4 | 173.3 | 173.9 | -178 | 0 | 112 | F2082 K2206 I2207 Q2213 V2214 | F2082-K2210 HydrophobicContact CZ-CB 4.17Å; K2206-K2210 WeakPolarHBondContact O-CB 3.5Å; K2206-K2210 VanDerWaalsContact O-CG 3.3Å; K2206-K2210 WeakPolarHBondContact O-CG 3.17Å; K2206-K2210 PolarHBondContact O-N 2.8Å; I2207-K2210 PolarHBondContact O-N 2.89Å; I2207-K2210 VanDerWaalsContact O-N 3.12Å; K2210-Q2213 PolarHBondContact O-N 3.01Å; K2210-V2214 WeakPolarHBondContact O-CG2 3.31Å; K2210-V2214 PolarHBondContact O-N 3.16Å |
| 2211 | I | 90.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.5 | -44 | 179.4 | -63.8 | -176.8 | 0 | 0 | 0 | 110.4 | W2031 I2034 F2082 H2086 L2090 I2207 F2209 Q2213 V2214 E2215 | W2031-I2211 HydrophobicContact CH2-CB 4.44Å; W2031-I2211 HydrophobicContact CH2-CG2 4.3Å; W2031-I2211 HydrophobicContact CZ2-CB 4.23Å; W2031-I2211 HydrophobicContact CZ2-CG2 3.63Å; I2034-I2211 HydrophobicContact CD1-CD1 3.86Å; F2082-I2211 HydrophobicContact CE1-CG1 4.13Å; F2082-I2211 HydrophobicContact CZ-CG1 4.36Å; H2086-I2211 HydrophobicContact CB-CD1 4.25Å; L2090-I2211 HydrophobicContact CD1-CD1 4.26Å; I2207-I2211 HydrophobicContact CG2-CD1 3.88Å; I2207-I2211 HydrophobicContact CG2-CG1 4.2Å; I2207-I2211 WeakPolarHBondContact O-CG1 3.29Å; I2207-I2211 PolarHBondContact O-N 3.22Å; F2209-I2211 PolarHBondContact O-N 3.11Å; I2211-Q2213 PolarHBondContact O-N 3.41Å; I2211-V2214 PolarHBondContact O-N 3.41Å; I2211-E2215 HydrophobicContact CG2-CG 4.49Å; I2211-E2215 WeakPolarHBondContact O-CG 3.23Å; I2211-E2215 PolarHBondContact O-N 3.05Å |
| 2212 | G | 87.9 | Confident | 85.8 | Confident | 8 Ų | 8 | 37.6 Ų | 37.6 | 8% | 0.082 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.4 | -42.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1953 G2208 F2209 E2215 L2216 | L1953-G2212 WeakPolarHBondContact CD1-O 3.25Å; G2208-G2212 PolarHBondContact O-N 3.47Å; F2209-G2212 PolarHBondContact O-N 3.11Å; G2212-E2215 PolarHBondContact O-N 3.19Å; G2212-L2216 VanDerWaalsContact O-CB 3.3Å; G2212-L2216 WeakPolarHBondContact O-CB 3.31Å; G2212-L2216 PolarHBondContact O-N 3.17Å |
| 2213 | Q | 87.6 | Confident | 85 | Confident | 44 Ų | 44 | 39.1 Ų | 39.1 | 21% | 0.206 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 174.3 | -81 | -69.4 | -30.9 | 0 | 0 | 112.2 | F2209 K2210 I2211 L2216 Q2217 | F2209-Q2213 HydrophobicContact CD1-CG 4.16Å; F2209-Q2213 HydrophobicContact CD2-CG 4.46Å; F2209-Q2213 HydrophobicContact CE1-CG 3.71Å; F2209-Q2213 HydrophobicContact CE2-CG 4.04Å; F2209-Q2213 HydrophobicContact CZ-CG 3.64Å; F2209-Q2213 WeakPolarHBondContact O-CB 3.44Å; F2209-Q2213 WeakPolarHBondContact O-CG 3.48Å; F2209-Q2213 PolarHBondContact O-N 3.41Å; K2210-Q2213 PolarHBondContact O-N 3.01Å; I2211-Q2213 PolarHBondContact O-N 3.41Å; Q2213-L2216 PolarHBondContact O-N 3.33Å; Q2213-Q2217 WeakPolarHBondContact O-CB 3.27Å; Q2213-Q2217 WeakPolarHBondContact O-CG 3.27Å; Q2213-Q2217 PolarHBondContact O-N 3.38Å |
| 2214 | V | 88.1 | Confident | 83.9 | Confident | 25 Ų | 25 | 46.7 Ų | 46.7 | 15% | 0.152 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.2 | -36.1 | 177.4 | 172.2 | 0 | 0 | 0 | 0 | 111.9 | F2082 K2210 I2211 S2218 | F2082-V2214 HydrophobicContact CD1-CB 4.09Å; F2082-V2214 HydrophobicContact CD1-CG1 3.76Å; F2082-V2214 HydrophobicContact CD1-CG2 4.08Å; F2082-V2214 HydrophobicContact CD2-CG2 4.22Å; F2082-V2214 HydrophobicContact CE1-CB 3.71Å; F2082-V2214 HydrophobicContact CE1-CG1 3.91Å; F2082-V2214 HydrophobicContact CE1-CG2 3.68Å; F2082-V2214 HydrophobicContact CE2-CG2 3.81Å; F2082-V2214 HydrophobicContact CG-CG1 4.38Å; F2082-V2214 HydrophobicContact CG-CG2 4.35Å; F2082-V2214 HydrophobicContact CZ-CB 4.06Å; F2082-V2214 HydrophobicContact CZ-CG2 3.54Å; K2210-V2214 WeakPolarHBondContact O-CG2 3.31Å; K2210-V2214 PolarHBondContact O-N 3.16Å; I2211-V2214 PolarHBondContact O-N 3.41Å; V2214-S2218 WeakPolarHBondContact O-CB 3.33Å; V2214-S2218 PolarHBondContact O-N 2.8Å; V2214-S2218 PolarHBondContact O-OG 3.47Å |
| 2215 | E | 88.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.8 | -44 | 172 | -78.2 | -169.3 | 176.2 | 0 | 0 | 112.1 | L1953 K1976 R2027 W2031 I2211 G2212 S2218 S2219 | L1953-E2215 HydrophobicContact CD1-CB 3.8Å; K1976-E2215 IonicContact NZ-OE2 3.11Å; K1976-E2215 PolarHBondContact NZ-OE2 3.29Å; R2027-E2215 IonicContact CZ-OE1 3.42Å; R2027-E2215 IonicContact NE-OE1 3.88Å; R2027-E2215 PolarHBondContact NE-OE1 3.17Å; R2027-E2215 VanDerWaalsContact NH2-CD 3.33Å; R2027-E2215 IonicContact NH2-OE1 2.74Å; R2027-E2215 PolarHBondContact NH2-OE1 2.9Å; R2027-E2215 IonicContact NH2-OE2 3.2Å; W2031-E2215 PolarHBondContact NE1-OE1 3.11Å; W2031-E2215 PolarHBondContact NE1-OE2 2.9Å; I2211-E2215 HydrophobicContact CG2-CG 4.49Å; I2211-E2215 WeakPolarHBondContact O-CG 3.23Å; I2211-E2215 PolarHBondContact O-N 3.05Å; G2212-E2215 PolarHBondContact O-N 3.19Å; E2215-S2218 PolarHBondContact O-N 3.44Å; E2215-S2219 WeakPolarHBondContact O-CB 3.17Å; E2215-S2219 PolarHBondContact O-N 3.12Å |
| 2216 | L | 85.5 | Confident | 81.2 | Confident | 19 Ų | 19 | 51 Ų | 51 | 10% | 0.099 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 176.9 | -177.9 | 66.1 | 0 | 0 | 0 | 111.5 | L1953 N1954 K1957 G2212 Q2213 S2219 A2220 | L1953-L2216 HydrophobicContact CB-CD1 4.28Å; N1954-L2216 HydrophobicContact CB-CD1 3.93Å; K1957-L2216 HydrophobicContact CD-CD1 4.21Å; K1957-L2216 HydrophobicContact CD-CD2 4.06Å; G2212-L2216 VanDerWaalsContact O-CB 3.3Å; G2212-L2216 WeakPolarHBondContact O-CB 3.31Å; G2212-L2216 PolarHBondContact O-N 3.17Å; Q2213-L2216 PolarHBondContact O-N 3.33Å; L2216-S2219 PolarHBondContact O-N 3.11Å; L2216-A2220 WeakPolarHBondContact O-CB 3.37Å; L2216-A2220 PolarHBondContact O-N 3.07Å |
| 2217 | Q | 85.1 | Confident | 79.1 | Confident | 112 Ų | 112 | 55.4 Ų | 55.4 | 52% | 0.523 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 175.8 | -72.2 | 171.4 | 19.2 | 0 | 0 | 111.6 | Q2213 A2220 A2221 | Q2213-Q2217 WeakPolarHBondContact O-CB 3.27Å; Q2213-Q2217 WeakPolarHBondContact O-CG 3.27Å; Q2213-Q2217 PolarHBondContact O-N 3.38Å; Q2217-A2220 PolarHBondContact O-N 3.37Å; Q2217-A2221 WeakPolarHBondContact O-CB 3.41Å; Q2217-A2221 PolarHBondContact O-N 2.9Å |
| 2218 | S | 84.8 | Confident | 78.5 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.6 | -47 | 175.9 | -59.2 | 0 | 0 | 0 | 0 | 110.4 | S2079 V2214 E2215 A2220 A2221 T2222 | S2079-S2218 PolarHBondContact OG-OG 3.06Å; V2214-S2218 WeakPolarHBondContact O-CB 3.33Å; V2214-S2218 PolarHBondContact O-N 2.8Å; V2214-S2218 PolarHBondContact O-OG 3.47Å; E2215-S2218 PolarHBondContact O-N 3.44Å; S2218-A2220 PolarHBondContact O-N 3.09Å; S2218-A2221 PolarHBondContact O-N 2.87Å; S2218-T2222 WeakPolarHBondContact O-CB 3.14Å; S2218-T2222 PolarHBondContact O-N 3.22Å; S2218-T2222 PolarHBondContact O-OG1 3.13Å |
| 2219 | S | 84 | Confident | 78 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.007 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 176.8 | 177.5 | 0 | 0 | 0 | 0 | 113 | H1951 N1954 E2215 L2216 | H1951-S2219 PolarHBondContact ND1-OG 2.71Å; N1954-S2219 WeakPolarHBondContact CB-OG 3.16Å; E2215-S2219 WeakPolarHBondContact O-CB 3.17Å; E2215-S2219 PolarHBondContact O-N 3.12Å; L2216-S2219 PolarHBondContact O-N 3.11Å |
| 2220 | A | 80.6 | Confident | 77.5 | Confident | 32 Ų | 32 | 58.7 Ų | 58.7 | 26% | 0.264 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69.3 | -43.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L2216 Q2217 S2218 Q2223 F2224 | L2216-A2220 WeakPolarHBondContact O-CB 3.37Å; L2216-A2220 PolarHBondContact O-N 3.07Å; Q2217-A2220 PolarHBondContact O-N 3.37Å; S2218-A2220 PolarHBondContact O-N 3.09Å; A2220-Q2223 WeakPolarHBondContact O-CB 3.29Å; A2220-Q2223 PolarHBondContact O-N 3.37Å; A2220-F2224 WeakPolarHBondContact O-CD2 3.49Å |
| 2221 | A | 78.6 | Confident | 76.8 | Confident | 31 Ų | 31 | 58.6 Ų | 58.6 | 26% | 0.256 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -72.6 | -27.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V2075 Q2217 S2218 Q2223 F2224 Y2225 | V2075-A2221 HydrophobicContact CB-CB 4.24Å; V2075-A2221 HydrophobicContact CG1-CB 3.88Å; V2075-A2221 HydrophobicContact CG2-CB 3.74Å; Q2217-A2221 WeakPolarHBondContact O-CB 3.41Å; Q2217-A2221 PolarHBondContact O-N 2.9Å; S2218-A2221 PolarHBondContact O-N 2.87Å; A2221-Q2223 PolarHBondContact O-N 3.39Å; A2221-F2224 PolarHBondContact O-N 3.46Å; A2221-Y2225 PolarHBondContact O-N 3.47Å; A2221-Y2225 VanDerWaalsContact O-N 3.1Å |
| 2222 | T | 74.8 | Confident | 76 | Confident | 34 Ų | 34 | 62.3 Ų | 62.3 | 21% | 0.209 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.3 | -35 | 169.8 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | S2218 F2224 Y2225 S2226 | S2218-T2222 WeakPolarHBondContact O-CB 3.14Å; S2218-T2222 PolarHBondContact O-N 3.22Å; S2218-T2222 PolarHBondContact O-OG1 3.13Å; T2222-F2224 PolarHBondContact O-N 3.27Å; T2222-Y2225 PolarHBondContact O-N 2.9Å; T2222-Y2225 VanDerWaalsContact O-N 3.17Å; T2222-S2226 PolarHBondContact O-N 3.29Å; T2222-S2226 PolarHBondContact O-OG 3.18Å |
| 2223 | Q | 66.4 | Low | 75.2 | Confident | 113 Ų | 113 | 65.9 Ų | 65.9 | 53% | 0.528 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66 | -26 | 176.7 | -60.5 | -179.6 | -26.7 | 0 | 0 | 113.1 | A2220 A2221 S2226 V2227 | A2220-Q2223 WeakPolarHBondContact O-CB 3.29Å; A2220-Q2223 PolarHBondContact O-N 3.37Å; A2221-Q2223 PolarHBondContact O-N 3.39Å; Q2223-S2226 PolarHBondContact O-OG 3.46Å; Q2223-S2226 VanDerWaalsContact O-OG 3.1Å; Q2223-V2227 WeakPolarHBondContact O-CG2 3.4Å |
| 2224 | F | 63.5 | Low | 74.3 | Confident | 167 Ų | 167 | 67.4 Ų | 67.4 | 73% | 0.732 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -88.3 | -17.9 | 174.4 | -67.2 | -83.1 | 0 | 0 | 0 | 113.4 | A2220 A2221 T2222 | A2220-F2224 WeakPolarHBondContact O-CD2 3.49Å; A2221-F2224 PolarHBondContact O-N 3.46Å; T2222-F2224 PolarHBondContact O-N 3.27Å |
| 2225 | Y | 62.6 | Low | 73.2 | Confident | 134 Ų | 134 | 70.7 Ų | 70.7 | 53% | 0.525 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -88.5 | -18.3 | 173.6 | -95.4 | -103.2 | 0 | 0 | 0 | 113.2 | V2075 M2078 A2221 T2222 V2227 | V2075-Y2225 HydrophobicContact CG2-CD2 3.29Å; V2075-Y2225 HydrophobicContact CG2-CE2 3.49Å; V2075-Y2225 VanDerWaalsContact CG2-CE2 3.49Å; V2075-Y2225 HydrophobicContact CG2-CG 3.92Å; M2078-Y2225 HydrophobicContact CE-CE2 4.01Å; M2078-Y2225 VanDerWaalsContact CE-OH 3.29Å; M2078-Y2225 WeakPolarHBondContact CE-OH 3.39Å; A2221-Y2225 PolarHBondContact O-N 3.47Å; A2221-Y2225 VanDerWaalsContact O-N 3.1Å; T2222-Y2225 PolarHBondContact O-N 2.9Å; T2222-Y2225 VanDerWaalsContact O-N 3.17Å; Y2225-V2227 VanDerWaalsContact C-N 3.31Å |
| 2226 | S | 54.1 | Low | 71.9 | Confident | 96 Ų | 96 | 76.6 Ų | 76.6 | 67% | 0.671 | 41% | 0.409 | S | S | * | . | trans | -84 | -2.8 | 173.6 | 55.7 | 0 | 0 | 0 | 0 | 114.3 | T2222 Q2223 | T2222-S2226 PolarHBondContact O-N 3.29Å; T2222-S2226 PolarHBondContact O-OG 3.18Å; Q2223-S2226 PolarHBondContact O-OG 3.46Å; Q2223-S2226 VanDerWaalsContact O-OG 3.1Å | ||
| 2227 | V | 43.2 | Very low | 70.7 | Confident | 177 Ų | 177 | 81.8 Ų | 81.8 | 100% | 1.073 | 44% | 0.437 | S | S | * | . | trans | -112.7 | 0 | 179.4 | 178 | 0 | 0 | 0 | 0 | 109 | Q2223 Y2225 | Q2223-V2227 WeakPolarHBondContact O-CG2 3.4Å; Y2225-V2227 VanDerWaalsContact C-N 3.31Å |
Retrieved 2,227 of 2,227 residues in 963.8 ms
(Link to these results)