| 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 | 31.8 | Very low | 44.8 | Very low | 245 Ų | 245 | 152.1 Ų | 152.1 | 100% | 1.207 | 77% | 0.766 | S | S | * | * | 0 | 137.6 | 0 | -75.5 | -173.5 | 177.1 | 0 | 0 | 108.6 | G3 | M1-G3 PolarHBondContact O-N 3.47Š| |||
| 2 | K | 32.3 | Very low | 48 | Very low | 197 Ų | 197 | 144.2 Ų | 144.2 | 86% | 0.857 | 72% | 0.724 | S | S | * | * | trans | -47.3 | 101.7 | -170.3 | -66.1 | 173.9 | 176.8 | 177.5 | 0 | 112.9 | S4 | K2-S4 PolarHBondContact O-N 2.81Å; K2-S4 PolarHBondContact O-OG 3.08Å | ||
| 3 | G | 32.2 | Very low | 50.8 | Low | 72 Ų | 72 | 142.2 Ų | 142.2 | 74% | 0.742 | 72% | 0.717 | S | S | * | * | trans | -68.5 | 73 | 161 | 0 | 0 | 0 | 0 | 0 | 108.5 | M1 Y5 | M1-G3 PolarHBondContact O-N 3.47Å; G3-Y5 PolarHBondContact O-N 2.95Å | ||
| 4 | S | 35.4 | Very low | 53.1 | Low | 85 Ų | 85 | 138.3 Ų | 138.3 | 59% | 0.594 | 70% | 0.699 | S | S | * | * | trans | -66.3 | 115.6 | 179.3 | -53.1 | 0 | 0 | 0 | 0 | 106.5 | K2 R6 | K2-S4 PolarHBondContact O-N 2.81Å; K2-S4 PolarHBondContact O-OG 3.08Å; S4-R6 VanDerWaalsContact C-N 3.32Å; S4-R6 PolarHBondContact O-N 2.63Å | ||
| 5 | Y | 35.5 | Very low | 55.1 | Low | 199 Ų | 199 | 132.2 Ų | 132.2 | 78% | 0.78 | 67% | 0.669 | S | S | * | * | trans | -45.2 | 99.4 | 165.6 | -71.7 | -97.1 | 0 | 0 | 0 | 108 | G3 L7 | G3-Y5 PolarHBondContact O-N 2.95Å; Y5-L7 PolarHBondContact O-N 3.19Å | ||
| 6 | R | 35.8 | Very low | 57 | Low | 235 Ų | 235 | 125.1 Ų | 125.1 | 89% | 0.887 | 63% | 0.633 | S | S | * | * | trans | -71.9 | 83 | 168.3 | -75.2 | -171.4 | -174.6 | -168.4 | 2.4 | 105.8 | S4 K8 | S4-R6 VanDerWaalsContact C-N 3.32Å; S4-R6 PolarHBondContact O-N 2.63Å; R6-K8 VanDerWaalsContact C-N 3.32Å; R6-K8 PolarHBondContact O-N 3.24Å | ||
| 7 | L | 38.6 | Very low | 58.8 | Low | 161 Ų | 161 | 122 Ų | 122 | 84% | 0.843 | 63% | 0.626 | S | S | * | * | trans | -48.1 | 108.7 | 150.6 | -80.1 | 155.3 | 0 | 0 | 0 | 104.8 | Y5 S9 | Y5-L7 PolarHBondContact O-N 3.19Å; L7-S9 PolarHBondContact O-N 3.35Å | ||
| 8 | K | 43.7 | Very low | 60.4 | Low | 166 Ų | 166 | 118.5 Ų | 118.5 | 72% | 0.722 | 61% | 0.614 | S | S | * | * | trans | -57.5 | 114 | 172.1 | -74.9 | -178.8 | -177.7 | 170.8 | 0 | 105.6 | R6 K10 | R6-K8 VanDerWaalsContact C-N 3.32Å; R6-K8 PolarHBondContact O-N 3.24Å; K8-K10 PolarHBondContact O-N 3.27Å | ||
| 9 | S | 59.7 | Low | 61.7 | Low | 104 Ų | 104 | 112.7 Ų | 112.7 | 73% | 0.727 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -56 | 129.4 | 173.9 | 56.1 | 0 | 0 | 0 | 0 | 107.9 | L7 | L7-S9 PolarHBondContact O-N 3.35Š|
| 10 | K | 68.6 | Low | 62.9 | Low | 137 Ų | 137 | 113.5 Ų | 113.5 | 60% | 0.596 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 140.1 | 171 | -72.8 | -171.2 | 175.1 | -173.6 | 0 | 108.9 | K8 I15 | K8-K10 PolarHBondContact O-N 3.27Å; K10-I15 HydrophobicContact CB-CD1 4.26Å; K10-I15 HydrophobicContact CB-CG1 3.96Å |
| 11 | P | 79.4 | Confident | 63.9 | Low | 72 Ų | 72 | 113.7 Ų | 113.7 | 47% | 0.468 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -50 | 148 | 168.9 | -23.4 | 30.8 | 0 | 0 | 0 | 111.5 | D13 D14 I15 | P11-D13 PolarHBondContact O-N 3.31Å; P11-D14 HydrophobicContact CB-CB 4.49Å; P11-D14 VanDerWaalsContact CD-OD2 3.28Å; P11-D14 WeakPolarHBondContact CD-OD2 3.13Å; P11-D14 PolarHBondContact O-N 2.91Å; P11-I15 PolarHBondContact O-N 3.42Å |
| 12 | Q | 82.9 | Confident | 66.3 | Low | 57 Ų | 57 | 104.4 Ų | 104.4 | 27% | 0.266 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -52 | -47.2 | 174.9 | 180 | -178.1 | -9.7 | 0 | 0 | 111.4 | D14 I15 L16 V61 S62 F65 | Q12-D14 VanDerWaalsContact C-N 3.3Å; Q12-D14 PolarHBondContact O-N 2.77Å; Q12-I15 PolarHBondContact O-N 3.12Å; Q12-I15 VanDerWaalsContact O-N 3.16Å; Q12-L16 HydrophobicContact CG-CD1 3.77Å; Q12-L16 HydrophobicContact CG-CG 4.17Å; Q12-L16 WeakPolarHBondContact O-CG 3.48Å; Q12-L16 PolarHBondContact O-N 2.95Å; Q12-V61 HydrophobicContact CG-CG1 4.21Å; Q12-S62 PolarHBondContact NE2-OG 2.94Å; Q12-F65 HydrophobicContact CB-CB 4.41Å; Q12-F65 HydrophobicContact CB-CD1 3.92Å; Q12-F65 HydrophobicContact CB-CD2 3.61Å; Q12-F65 HydrophobicContact CB-CE1 4Å; Q12-F65 HydrophobicContact CB-CE2 3.71Å; Q12-F65 HydrophobicContact CB-CG 3.72Å; Q12-F65 HydrophobicContact CB-CZ 3.9Å; Q12-F65 HydrophobicContact CG-CB 4.25Å; Q12-F65 HydrophobicContact CG-CD2 3.61Å; Q12-F65 HydrophobicContact CG-CE2 4.06Å; Q12-F65 HydrophobicContact CG-CG 3.92Å |
| 13 | D | 84.2 | Confident | 68.7 | Low | 119 Ų | 119 | 96.1 Ų | 96.1 | 64% | 0.636 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.2 | -39.2 | -176.7 | -65.3 | -34.4 | 0 | 0 | 0 | 112.2 | P11 L16 S17 | P11-D13 PolarHBondContact O-N 3.31Å; D13-L16 PolarHBondContact O-N 3.43Å; D13-S17 WeakPolarHBondContact O-CB 3.18Å; D13-S17 PolarHBondContact O-N 3.42Å |
| 14 | D | 83.2 | Confident | 71 | Confident | 87 Ų | 87 | 98.9 Ų | 98.9 | 47% | 0.465 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 177.1 | -69.8 | -5 | 0 | 0 | 0 | 111.2 | P11 Q12 S17 S18 | P11-D14 HydrophobicContact CB-CB 4.49Å; P11-D14 VanDerWaalsContact CD-OD2 3.28Å; P11-D14 WeakPolarHBondContact CD-OD2 3.13Å; P11-D14 PolarHBondContact O-N 2.91Å; Q12-D14 VanDerWaalsContact C-N 3.3Å; Q12-D14 PolarHBondContact O-N 2.77Å; D14-S17 PolarHBondContact O-N 2.97Å; D14-S18 PolarHBondContact O-N 3.44Å; D14-S18 PolarHBondContact O-OG 2.89Å; D14-S18 VanDerWaalsContact O-OG 3.11Å |
| 15 | I | 83 | Confident | 73.1 | Confident | 47 Ų | 47 | 99.5 Ų | 99.5 | 24% | 0.241 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -63.1 | -48.7 | 178.9 | -61.7 | 170.2 | 0 | 0 | 0 | 109.9 | K10 P11 Q12 S17 S18 V19 F57 V61 F65 | K10-I15 HydrophobicContact CB-CD1 4.26Å; K10-I15 HydrophobicContact CB-CG1 3.96Å; P11-I15 PolarHBondContact O-N 3.42Å; Q12-I15 PolarHBondContact O-N 3.12Å; Q12-I15 VanDerWaalsContact O-N 3.16Å; I15-S17 VanDerWaalsContact C-N 3.32Å; I15-S17 PolarHBondContact O-N 3.49Å; I15-S18 PolarHBondContact O-N 2.88Å; I15-V19 WeakPolarHBondContact O-CG2 3.46Å; I15-V19 PolarHBondContact O-N 3.28Å; I15-V19 VanDerWaalsContact O-N 3.13Å; I15-F57 HydrophobicContact CG2-CE1 4.05Å; I15-F57 HydrophobicContact CG2-CZ 4.22Å; I15-V61 HydrophobicContact CG2-CG1 4.32Å; I15-V61 HydrophobicContact CG2-CG2 4.29Å; I15-F65 HydrophobicContact CD1-CE2 4.19Å; I15-F65 HydrophobicContact CD1-CZ 4.34Å |
| 16 | L | 86.5 | Confident | 75 | Confident | 19 Ų | 19 | 90.8 Ų | 90.8 | 10% | 0.099 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 179.9 | -66.9 | -178.7 | 0 | 0 | 0 | 111.6 | Q12 D13 V19 K20 C58 V61 | Q12-L16 HydrophobicContact CG-CD1 3.77Å; Q12-L16 HydrophobicContact CG-CG 4.17Å; Q12-L16 WeakPolarHBondContact O-CG 3.48Å; Q12-L16 PolarHBondContact O-N 2.95Å; D13-L16 PolarHBondContact O-N 3.43Å; L16-V19 PolarHBondContact O-N 3.38Å; L16-K20 WeakPolarHBondContact O-CB 3.49Å; L16-K20 VanDerWaalsContact O-CG 3.25Å; L16-K20 WeakPolarHBondContact O-CG 3.46Å; L16-K20 PolarHBondContact O-N 3.49Å; L16-C58 HydrophobicContact CD2-CB 3.78Å; L16-V61 HydrophobicContact CD2-CB 4.15Å; L16-V61 HydrophobicContact CD2-CG1 4.01Å; L16-V61 HydrophobicContact CG-CG1 4.36Å |
| 17 | S | 87.7 | Confident | 76.7 | Confident | 72 Ų | 72 | 82.7 Ų | 82.7 | 50% | 0.503 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.2 | -48 | 176.3 | -170.8 | 0 | 0 | 0 | 0 | 111.2 | D13 D14 I15 V19 K20 E21 | D13-S17 WeakPolarHBondContact O-CB 3.18Å; D13-S17 PolarHBondContact O-N 3.42Å; D14-S17 PolarHBondContact O-N 2.97Å; I15-S17 VanDerWaalsContact C-N 3.32Å; I15-S17 PolarHBondContact O-N 3.49Å; S17-V19 VanDerWaalsContact C-N 3.35Å; S17-V19 PolarHBondContact O-N 2.96Å; S17-K20 PolarHBondContact O-N 2.82Å; S17-E21 WeakPolarHBondContact O-CB 3.35Å; S17-E21 PolarHBondContact O-N 2.9Å |
| 18 | S | 85.9 | Confident | 78.1 | Confident | 59 Ų | 59 | 79.6 Ų | 79.6 | 41% | 0.413 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.2 | -41.3 | 177.5 | -61.8 | 0 | 0 | 0 | 0 | 112.9 | D14 I15 E21 V22 | D14-S18 PolarHBondContact O-N 3.44Å; D14-S18 PolarHBondContact O-OG 2.89Å; D14-S18 VanDerWaalsContact O-OG 3.11Å; I15-S18 PolarHBondContact O-N 2.88Å; S18-E21 PolarHBondContact O-N 3.23Å; S18-V22 WeakPolarHBondContact O-CG2 3.38Å; S18-V22 PolarHBondContact O-N 3.4Å |
| 19 | V | 85.3 | Confident | 78.8 | Confident | 9 Ų | 9 | 79.7 Ų | 79.7 | 6% | 0.055 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -70.1 | -41.4 | 178.7 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | I15 L16 S17 E21 V22 I23 F57 C58 F84 | I15-V19 WeakPolarHBondContact O-CG2 3.46Å; I15-V19 PolarHBondContact O-N 3.28Å; I15-V19 VanDerWaalsContact O-N 3.13Å; L16-V19 PolarHBondContact O-N 3.38Å; S17-V19 VanDerWaalsContact C-N 3.35Å; S17-V19 PolarHBondContact O-N 2.96Å; V19-E21 VanDerWaalsContact C-N 3.3Å; V19-E21 PolarHBondContact O-N 3.43Å; V19-V22 PolarHBondContact O-N 3.15Å; V19-I23 HydrophobicContact CG1-CD1 3.87Å; V19-I23 HydrophobicContact CG1-CG1 4.4Å; V19-I23 WeakPolarHBondContact O-CG1 3.37Å; V19-I23 PolarHBondContact O-N 3.03Å; V19-F57 HydrophobicContact CG1-CD1 4.39Å; V19-F57 HydrophobicContact CG2-CD1 3.63Å; V19-F57 HydrophobicContact CG2-CE1 3.62Å; V19-C58 VanDerWaalsContact CG1-SG 3.5Å; V19-F84 HydrophobicContact CG1-CE1 4.25Å; V19-F84 HydrophobicContact CG1-CZ 4.04Å; V19-F84 HydrophobicContact CG2-CE1 4.41Å |
| 20 | K | 85.7 | Confident | 79 | Confident | 128 Ų | 128 | 77.8 Ų | 77.8 | 56% | 0.557 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.4 | -38.6 | 175.7 | -77.7 | 176.3 | 180 | 179.2 | 0 | 112 | L16 S17 I23 Q24 | L16-K20 WeakPolarHBondContact O-CB 3.49Å; L16-K20 VanDerWaalsContact O-CG 3.25Å; L16-K20 WeakPolarHBondContact O-CG 3.46Å; L16-K20 PolarHBondContact O-N 3.49Å; S17-K20 PolarHBondContact O-N 2.82Å; K20-I23 PolarHBondContact O-N 3Å; K20-Q24 VanDerWaalsContact O-CB 3.26Å; K20-Q24 WeakPolarHBondContact O-CB 3.43Å; K20-Q24 PolarHBondContact O-N 3.43Å |
| 21 | E | 85.2 | Confident | 78.7 | Confident | 118 Ų | 118 | 74.2 Ų | 74.2 | 55% | 0.551 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60.7 | -46.4 | 175.2 | -172.9 | 178.5 | -173.4 | 0 | 0 | 111.3 | S17 S18 V19 Q24 L25 | S17-E21 WeakPolarHBondContact O-CB 3.35Å; S17-E21 PolarHBondContact O-N 2.9Å; S18-E21 PolarHBondContact O-N 3.23Å; V19-E21 VanDerWaalsContact C-N 3.3Å; V19-E21 PolarHBondContact O-N 3.43Å; E21-Q24 PolarHBondContact O-N 2.97Å; E21-L25 HydrophobicContact CG-CD1 4.39Å; E21-L25 WeakPolarHBondContact O-CB 3.48Å; E21-L25 WeakPolarHBondContact O-CG 3.42Å; E21-L25 PolarHBondContact O-N 3.07Å |
| 22 | V | 82.2 | Confident | 77.9 | Confident | 49 Ų | 49 | 71.2 Ų | 71.2 | 30% | 0.297 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 174.9 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | S18 V19 Q24 L25 L26 F84 L88 | S18-V22 WeakPolarHBondContact O-CG2 3.38Å; S18-V22 PolarHBondContact O-N 3.4Å; V19-V22 PolarHBondContact O-N 3.15Å; V22-Q24 VanDerWaalsContact C-N 3.3Å; V22-Q24 PolarHBondContact O-N 2.86Å; V22-L25 PolarHBondContact O-N 2.74Å; V22-L26 HydrophobicContact CG1-CD1 4.21Å; V22-L26 WeakPolarHBondContact O-CG 3.49Å; V22-L26 PolarHBondContact O-N 3.05Å; V22-F84 HydrophobicContact CG1-CZ 4.31Å; V22-L88 HydrophobicContact CG1-CD2 4.01Å |
| 23 | I | 81.2 | Confident | 77 | Confident | 24 Ų | 24 | 70.2 Ų | 70.2 | 12% | 0.123 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 177.2 | -72.5 | 172.5 | 0 | 0 | 0 | 110.8 | V19 K20 L26 S27 L51 Q55 | V19-I23 HydrophobicContact CG1-CD1 3.87Å; V19-I23 HydrophobicContact CG1-CG1 4.4Å; V19-I23 WeakPolarHBondContact O-CG1 3.37Å; V19-I23 PolarHBondContact O-N 3.03Å; K20-I23 PolarHBondContact O-N 3Å; I23-L26 PolarHBondContact O-N 3.21Å; I23-S27 WeakPolarHBondContact O-CB 3.3Å; I23-S27 PolarHBondContact O-N 3.18Å; I23-S27 PolarHBondContact O-OG 2.94Å; I23-L51 HydrophobicContact CB-CD2 4.3Å; I23-L51 HydrophobicContact CG1-CD2 4.46Å; I23-L51 HydrophobicContact CG2-CD2 3.72Å; I23-Q55 HydrophobicContact CD1-CG 4.42Å |
| 24 | Q | 81.7 | Confident | 76.2 | Confident | 130 Ų | 130 | 72.5 Ų | 72.5 | 61% | 0.607 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -68.1 | -41.9 | -180 | -171.5 | 173.3 | 7.8 | 0 | 0 | 111.8 | K20 E21 V22 L26 S27 N28 | K20-Q24 VanDerWaalsContact O-CB 3.26Å; K20-Q24 WeakPolarHBondContact O-CB 3.43Å; K20-Q24 PolarHBondContact O-N 3.43Å; E21-Q24 PolarHBondContact O-N 2.97Å; V22-Q24 VanDerWaalsContact C-N 3.3Å; V22-Q24 PolarHBondContact O-N 2.86Å; Q24-L26 VanDerWaalsContact C-N 3.3Å; Q24-L26 PolarHBondContact O-N 2.86Å; Q24-S27 PolarHBondContact O-N 3.4Å; Q24-N28 PolarHBondContact O-N 2.94Å; Q24-N28 PolarHBondContact O-ND2 3.37Å |
| 25 | L | 78.8 | Confident | 75.5 | Confident | 97 Ų | 97 | 71.3 Ų | 71.3 | 51% | 0.508 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.9 | -42 | 174.2 | -76.1 | 170 | 0 | 0 | 0 | 111.8 | E21 V22 | E21-L25 HydrophobicContact CG-CD1 4.39Å; E21-L25 WeakPolarHBondContact O-CB 3.48Å; E21-L25 WeakPolarHBondContact O-CG 3.42Å; E21-L25 PolarHBondContact O-N 3.07Å; V22-L25 PolarHBondContact O-N 2.74Å |
| 26 | L | 75.9 | Confident | 75.3 | Confident | 16 Ų | 16 | 69.6 Ų | 69.6 | 8% | 0.084 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -74.5 | -27.9 | 178 | -65.9 | 178.6 | 0 | 0 | 0 | 113 | V22 I23 Q24 N28 F30 K47 V50 L51 L91 | V22-L26 HydrophobicContact CG1-CD1 4.21Å; V22-L26 WeakPolarHBondContact O-CG 3.49Å; V22-L26 PolarHBondContact O-N 3.05Å; I23-L26 PolarHBondContact O-N 3.21Å; Q24-L26 VanDerWaalsContact C-N 3.3Å; Q24-L26 PolarHBondContact O-N 2.86Å; L26-N28 VanDerWaalsContact C-N 3.33Å; L26-F30 HydrophobicContact CD2-CD2 4.49Å; L26-F30 HydrophobicContact CD2-CE2 3.48Å; L26-F30 VanDerWaalsContact CD2-CE2 3.48Å; L26-F30 HydrophobicContact CD2-CZ 3.72Å; L26-K47 WeakPolarHBondContact O-CE 2.93Å; L26-K47 PolarHBondContact O-NZ 3.21Å; L26-V50 HydrophobicContact CD1-CB 4.01Å; L26-V50 HydrophobicContact CD1-CG1 3.31Å; L26-L51 HydrophobicContact CB-CD2 4.46Å; L26-L91 HydrophobicContact CD1-CD2 3.84Å; L26-L91 HydrophobicContact CD2-CD2 3.54Å; L26-L91 HydrophobicContact CG-CD2 4.35Å |
| 27 | S | 71.3 | Confident | 75 | Confident | 65 Ų | 65 | 73.3 Ų | 73.3 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.9 | -32.9 | -179.7 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | I23 Q24 | I23-S27 WeakPolarHBondContact O-CB 3.3Å; I23-S27 PolarHBondContact O-N 3.18Å; I23-S27 PolarHBondContact O-OG 2.94Å; Q24-S27 PolarHBondContact O-N 3.4Å |
| 28 | N | 68 | Low | 74.9 | Confident | 96 Ų | 96 | 74.4 Ų | 74.4 | 51% | 0.513 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -63 | 159.1 | 174.8 | -65.1 | -25 | 0 | 0 | 0 | 112.1 | Q24 L26 F30 | Q24-N28 PolarHBondContact O-N 2.94Å; Q24-N28 PolarHBondContact O-ND2 3.37Å; L26-N28 VanDerWaalsContact C-N 3.33Å; N28-F30 PolarHBondContact O-N 3.46Å |
| 29 | D | 59.1 | Low | 74.8 | Confident | 168 Ų | 168 | 72.6 Ų | 72.6 | 90% | 0.898 | 40% | 0.396 | S | S | * | . | trans | -53.7 | 121.8 | -177.4 | -86.2 | -28.5 | 0 | 0 | 0 | 112.1 | S31 | D29-S31 PolarHBondContact O-N 3.35Š| ||
| 30 | F | 63.3 | Low | 74.8 | Confident | 65 Ų | 65 | 74.5 Ų | 74.5 | 29% | 0.285 | 41% | 0.41 | S | S | . | . | trans | -96.3 | 90 | -174.7 | -129.8 | -101.6 | 0 | 0 | 0 | 110.1 | L26 N28 V32 V33 | L26-F30 HydrophobicContact CD2-CD2 4.49Å; L26-F30 HydrophobicContact CD2-CE2 3.48Å; L26-F30 VanDerWaalsContact CD2-CE2 3.48Å; L26-F30 HydrophobicContact CD2-CZ 3.72Å; N28-F30 PolarHBondContact O-N 3.46Å; F30-V32 HydrophobicContact CD1-CB 4.23Å; F30-V32 HydrophobicContact CD1-CG2 4.28Å; F30-V32 HydrophobicContact CE1-CG2 4.26Å; F30-V32 PolarHBondContact O-N 3.31Å; F30-V33 PolarHBondContact O-N 2.94Å | ||
| 31 | S | 63 | Low | 74.9 | Confident | 61 Ų | 61 | 72.5 Ų | 72.5 | 43% | 0.427 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23.7 | -175.4 | 55.8 | 0 | 0 | 0 | 0 | 114.6 | D29 V33 Q34 | D29-S31 PolarHBondContact O-N 3.35Å; S31-V33 PolarHBondContact O-N 3.14Å; S31-V33 VanDerWaalsContact O-N 3.13Å; S31-Q34 WeakPolarHBondContact O-CB 3.49Å; S31-Q34 PolarHBondContact O-N 3.34Å |
| 32 | V | 62.7 | Low | 75 | Confident | 10 Ų | 10 | 70.4 Ų | 70.4 | 6% | 0.061 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -54.8 | -33.6 | 178.8 | -177.8 | 0 | 0 | 0 | 0 | 112 | F30 Q34 S35 V36 F43 A98 V888 | F30-V32 HydrophobicContact CD1-CB 4.23Å; F30-V32 HydrophobicContact CD1-CG2 4.28Å; F30-V32 HydrophobicContact CE1-CG2 4.26Å; F30-V32 PolarHBondContact O-N 3.31Å; V32-Q34 VanDerWaalsContact C-N 3.26Å; V32-Q34 PolarHBondContact O-N 3.31Å; V32-S35 PolarHBondContact O-N 3.5Å; V32-S35 PolarHBondContact O-OG 3.42Å; V32-V36 PolarHBondContact O-N 2.96Å; V32-F43 HydrophobicContact CG1-CE1 4.41Å; V32-F43 HydrophobicContact CG1-CE2 4.36Å; V32-F43 HydrophobicContact CG1-CZ 3.92Å; V32-A98 HydrophobicContact CG1-CB 3.89Å; V32-V888 HydrophobicContact CG2-CB 4.48Å; V32-V888 HydrophobicContact CG2-CG1 4.1Å; V32-V888 HydrophobicContact CG2-CG2 3.79Å |
| 33 | V | 62.8 | Low | 75.2 | Confident | 36 Ų | 36 | 68.3 Ų | 68.3 | 22% | 0.218 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.1 | -28.1 | 179.6 | 178 | 0 | 0 | 0 | 0 | 112 | F30 S31 V36 S40 F43 | F30-V33 PolarHBondContact O-N 2.94Å; S31-V33 PolarHBondContact O-N 3.14Å; S31-V33 VanDerWaalsContact O-N 3.13Å; V33-V36 CarbonylContact O-C 3.13Å; V33-S40 WeakPolarHBondContact CG1-OG 3.34Å; V33-F43 HydrophobicContact CG2-CB 3.85Å; V33-F43 HydrophobicContact CG2-CG 4.19Å |
| 34 | Q | 67.5 | Low | 75.5 | Confident | 167 Ų | 167 | 72.6 Ų | 72.6 | 78% | 0.78 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -73.8 | -31.2 | 179.1 | -62.8 | -179.6 | -14.6 | 0 | 0 | 112.2 | S31 V32 | S31-Q34 WeakPolarHBondContact O-CB 3.49Å; S31-Q34 PolarHBondContact O-N 3.34Å; V32-Q34 VanDerWaalsContact C-N 3.26Å; V32-Q34 PolarHBondContact O-N 3.31Å |
| 35 | S | 69.4 | Low | 75.9 | Confident | 61 Ų | 61 | 69.3 Ų | 69.3 | 43% | 0.427 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -76.7 | -28.6 | 178.8 | 40.8 | 0 | 0 | 0 | 0 | 113.5 | V32 | V32-S35 PolarHBondContact O-N 3.5Å; V32-S35 PolarHBondContact O-OG 3.42Å |
| 36 | V | 78.1 | Confident | 76.4 | Confident | 11 Ų | 11 | 64.7 Ų | 64.7 | 7% | 0.067 | 38% | 0.379 | C | S | . | . | trans | -131.5 | 79.9 | -177.6 | -169.9 | 0 | 0 | 0 | 0 | 110.3 | V32 V33 S38 L39 A98 L101 V102 | V32-V36 PolarHBondContact O-N 2.96Å; V33-V36 CarbonylContact O-C 3.13Å; V36-S38 WeakPolarHBondContact CG1-OG 3.45Å; V36-S38 PolarHBondContact O-N 3.12Å; V36-S38 VanDerWaalsContact O-N 3.12Å; V36-L39 HydrophobicContact CG1-CB 4.3Å; V36-L39 HydrophobicContact CG1-CD1 3.98Å; V36-L39 HydrophobicContact CG1-CG 3.95Å; V36-L39 PolarHBondContact O-N 3.24Å; V36-A98 HydrophobicContact CG2-CB 4.11Å; V36-L101 HydrophobicContact CG1-CD1 3.88Å; V36-V102 HydrophobicContact CG2-CG2 3.65Å | ||
| 37 | P | 81.1 | Confident | 76.9 | Confident | 97 Ų | 97 | 66 Ų | 66 | 63% | 0.63 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -57.8 | -29 | -177.4 | -26.4 | 35 | 0 | 0 | 0 | 113.9 | L39 S40 | P37-L39 VanDerWaalsContact C-N 3.25Å; P37-L39 PolarHBondContact O-N 3.18Å; P37-S40 VanDerWaalsContact O-CB 3.23Å; P37-S40 WeakPolarHBondContact O-CB 3.27Å; P37-S40 PolarHBondContact O-N 3.36Å |
| 38 | S | 84.1 | Confident | 77.8 | Confident | 95 Ų | 95 | 65.9 Ų | 65.9 | 66% | 0.664 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -62.6 | -27.8 | -179.7 | 53 | 0 | 0 | 0 | 0 | 113.9 | V36 | V36-S38 WeakPolarHBondContact CG1-OG 3.45Å; V36-S38 PolarHBondContact O-N 3.12Å; V36-S38 VanDerWaalsContact O-N 3.12Å |
| 39 | L | 85.1 | Confident | 79 | Confident | 22 Ų | 22 | 64.2 Ų | 64.2 | 12% | 0.115 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -98.1 | 2.1 | 179.6 | -63.4 | 178.2 | 0 | 0 | 0 | 113 | V36 P37 S41 D42 F43 I97 A98 L101 | V36-L39 HydrophobicContact CG1-CB 4.3Å; V36-L39 HydrophobicContact CG1-CD1 3.98Å; V36-L39 HydrophobicContact CG1-CG 3.95Å; V36-L39 PolarHBondContact O-N 3.24Å; P37-L39 VanDerWaalsContact C-N 3.25Å; P37-L39 PolarHBondContact O-N 3.18Å; L39-S41 VanDerWaalsContact C-N 3.32Å; L39-S41 PolarHBondContact O-N 3.35Å; L39-D42 PolarHBondContact O-N 3.02Å; L39-D42 VanDerWaalsContact O-N 3.11Å; L39-F43 HydrophobicContact CB-CD2 3.63Å; L39-F43 HydrophobicContact CB-CE2 3.71Å; L39-F43 HydrophobicContact CD1-CE2 3.99Å; L39-F43 WeakPolarHBondContact O-CD2 3.44Å; L39-F43 PolarHBondContact O-N 3.02Å; L39-I97 HydrophobicContact CD1-CG2 3.98Å; L39-A98 HydrophobicContact CD1-CB 4.05Å; L39-L101 HydrophobicContact CD1-CD1 3.91Å; L39-L101 HydrophobicContact CG-CD1 4.44Å |
| 40 | S | 85.1 | Confident | 80.5 | Confident | 48 Ų | 48 | 56.2 Ų | 56.2 | 34% | 0.336 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -55 | -44.4 | -171.4 | -178 | 0 | 0 | 0 | 0 | 113.4 | V33 P37 L44 | V33-S40 WeakPolarHBondContact CG1-OG 3.34Å; P37-S40 VanDerWaalsContact O-CB 3.23Å; P37-S40 WeakPolarHBondContact O-CB 3.27Å; P37-S40 PolarHBondContact O-N 3.36Å; S40-L44 WeakPolarHBondContact O-CB 3.49Å; S40-L44 PolarHBondContact O-N 3.27Å |
| 41 | S | 87 | Confident | 81.9 | Confident | 86 Ų | 86 | 54.6 Ų | 54.6 | 60% | 0.601 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64.9 | -44.1 | 177.9 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | L39 L44 T45 | L39-S41 VanDerWaalsContact C-N 3.32Å; L39-S41 PolarHBondContact O-N 3.35Å; S41-L44 PolarHBondContact O-N 3.31Å; S41-T45 PolarHBondContact O-N 3.11Å; S41-T45 PolarHBondContact O-OG1 3.38Å |
| 42 | D | 88 | Confident | 83.3 | Confident | 75 Ų | 75 | 56.1 Ų | 56.1 | 40% | 0.401 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | -179.2 | -66.1 | -41.6 | 0 | 0 | 0 | 111.2 | L39 T45 A46 L94 | L39-D42 PolarHBondContact O-N 3.02Å; L39-D42 VanDerWaalsContact O-N 3.11Å; D42-T45 PolarHBondContact O-N 2.8Å; D42-A46 WeakPolarHBondContact O-CB 3.33Å; D42-A46 PolarHBondContact O-N 3.24Å; D42-L94 HydrophobicContact CB-CD1 4.07Å; D42-L94 HydrophobicContact CB-CD2 4.04Å |
| 43 | F | 86.5 | Confident | 84.8 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 174.1 | -89.9 | -73.1 | 0 | 0 | 0 | 112.4 | V32 V33 L39 T45 A46 K47 L91 L94 A95 A98 | V32-F43 HydrophobicContact CG1-CE1 4.41Å; V32-F43 HydrophobicContact CG1-CE2 4.36Å; V32-F43 HydrophobicContact CG1-CZ 3.92Å; V33-F43 HydrophobicContact CG2-CB 3.85Å; V33-F43 HydrophobicContact CG2-CG 4.19Å; L39-F43 HydrophobicContact CB-CD2 3.63Å; L39-F43 HydrophobicContact CB-CE2 3.71Å; L39-F43 HydrophobicContact CD1-CE2 3.99Å; L39-F43 WeakPolarHBondContact O-CD2 3.44Å; L39-F43 PolarHBondContact O-N 3.02Å; F43-T45 VanDerWaalsContact C-N 3.28Å; F43-T45 PolarHBondContact O-N 3.44Å; F43-A46 PolarHBondContact O-N 3.49Å; F43-K47 VanDerWaalsContact O-CB 3.27Å; F43-K47 WeakPolarHBondContact O-CB 3.48Å; F43-K47 PolarHBondContact O-N 2.81Å; F43-L91 HydrophobicContact CD1-CD1 3.78Å; F43-L91 HydrophobicContact CE1-CD1 4.17Å; F43-L94 HydrophobicContact CD1-CB 4.21Å; F43-L94 HydrophobicContact CE1-CB 3.75Å; F43-L94 HydrophobicContact CE2-CB 4.22Å; F43-L94 HydrophobicContact CZ-CB 3.78Å; F43-L94 WeakPolarHBondContact CZ-O 3.49Å; F43-A95 HydrophobicContact CE1-CB 4.39Å; F43-A98 HydrophobicContact CE2-CB 3.81Å; F43-A98 HydrophobicContact CZ-CB 3.75Å |
| 44 | L | 86.6 | Confident | 86.2 | Confident | 115 Ų | 115 | 55.1 Ų | 55.1 | 60% | 0.602 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -62.9 | -39.9 | -179.8 | -169.6 | 67.6 | 0 | 0 | 0 | 111 | S40 S41 T48 | S40-L44 WeakPolarHBondContact O-CB 3.49Å; S40-L44 PolarHBondContact O-N 3.27Å; S41-L44 PolarHBondContact O-N 3.31Å; L44-T48 WeakPolarHBondContact O-CB 3.29Å; L44-T48 PolarHBondContact O-N 3.01Å; L44-T48 PolarHBondContact O-OG1 3.02Å |
| 45 | T | 90.1 | Very high | 87.3 | Confident | 61 Ų | 61 | 52.7 Ų | 52.7 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65 | -49 | 175.3 | -50.3 | 0 | 0 | 0 | 0 | 110.9 | S41 D42 F43 K47 T48 D49 | S41-T45 PolarHBondContact O-N 3.11Å; S41-T45 PolarHBondContact O-OG1 3.38Å; D42-T45 PolarHBondContact O-N 2.8Å; F43-T45 VanDerWaalsContact C-N 3.28Å; F43-T45 PolarHBondContact O-N 3.44Å; T45-K47 VanDerWaalsContact C-N 3.35Å; T45-K47 PolarHBondContact O-N 3.03Å; T45-T48 PolarHBondContact O-N 2.96Å; T45-D49 PolarHBondContact O-N 3.25Å |
| 46 | A | 89 | Confident | 88.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.5 | -39 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D42 F43 D49 V50 L91 L94 | D42-A46 WeakPolarHBondContact O-CB 3.33Å; D42-A46 PolarHBondContact O-N 3.24Å; F43-A46 PolarHBondContact O-N 3.49Å; A46-D49 PolarHBondContact O-N 2.62Å; A46-V50 VanDerWaalsContact O-CG2 3.27Å; A46-V50 WeakPolarHBondContact O-CG2 3.27Å; A46-V50 PolarHBondContact O-N 3.43Å; A46-L91 HydrophobicContact CB-CB 4.28Å; A46-L91 HydrophobicContact CB-CD1 4.13Å; A46-L94 HydrophobicContact CB-CD1 3.69Å |
| 47 | K | 88.3 | Confident | 89.2 | Confident | 44 Ų | 44 | 55.2 Ų | 55.2 | 19% | 0.191 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.7 | -48.1 | 172.9 | 173.2 | 172.8 | 164.9 | 164.9 | 0 | 110.7 | L26 F43 T45 D49 V50 L51 | L26-K47 WeakPolarHBondContact O-CE 2.93Å; L26-K47 PolarHBondContact O-NZ 3.21Å; F43-K47 VanDerWaalsContact O-CB 3.27Å; F43-K47 WeakPolarHBondContact O-CB 3.48Å; F43-K47 PolarHBondContact O-N 2.81Å; T45-K47 VanDerWaalsContact C-N 3.35Å; T45-K47 PolarHBondContact O-N 3.03Å; K47-D49 PolarHBondContact O-N 3.44Å; K47-V50 PolarHBondContact O-N 3.31Å; K47-L51 HydrophobicContact CG-CD1 4.05Å; K47-L51 VanDerWaalsContact O-CG 3.29Å; K47-L51 WeakPolarHBondContact O-CG 3.44Å; K47-L51 PolarHBondContact O-N 3.33Å |
| 48 | T | 90.1 | Very high | 89.7 | Confident | 62 Ų | 62 | 51.5 Ų | 51.5 | 38% | 0.38 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.9 | -47.1 | 178.9 | -53.9 | 0 | 0 | 0 | 0 | 111 | L44 T45 V50 L51 D52 | L44-T48 WeakPolarHBondContact O-CB 3.29Å; L44-T48 PolarHBondContact O-N 3.01Å; L44-T48 PolarHBondContact O-OG1 3.02Å; T45-T48 PolarHBondContact O-N 2.96Å; T48-V50 VanDerWaalsContact C-N 3.32Å; T48-V50 PolarHBondContact O-N 3.42Å; T48-L51 PolarHBondContact O-N 2.6Å; T48-L51 VanDerWaalsContact O-N 3.12Å; T48-D52 PolarHBondContact O-N 2.7Å |
| 49 | D | 92.2 | Very high | 90.1 | Very high | 60 Ų | 60 | 50.6 Ų | 50.6 | 32% | 0.321 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.4 | -41.7 | 176.8 | -72.1 | -0 | 0 | 0 | 0 | 112.6 | T45 A46 K47 T53 A87 R90 | T45-D49 PolarHBondContact O-N 3.25Å; A46-D49 PolarHBondContact O-N 2.62Å; K47-D49 PolarHBondContact O-N 3.44Å; D49-T53 VanDerWaalsContact O-CB 3.28Å; D49-T53 WeakPolarHBondContact O-CB 3.27Å; D49-T53 VanDerWaalsContact O-CG2 3.27Å; D49-T53 WeakPolarHBondContact O-CG2 3.49Å; D49-T53 PolarHBondContact O-N 3.34Å; D49-T53 PolarHBondContact O-OG1 3.02Å; D49-A87 HydrophobicContact CB-CB 4.01Å; D49-R90 IonicContact OD2-CZ 3.4Å; D49-R90 IonicContact OD2-NE 3.78Å; D49-R90 IonicContact OD2-NH2 2.6Å; D49-R90 PolarHBondContact OD2-NH2 2.93Å |
| 50 | V | 91.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 178.2 | 175.5 | 0 | 0 | 0 | 0 | 111 | L26 A46 K47 T48 T53 G54 F84 A87 L88 L91 | L26-V50 HydrophobicContact CD1-CB 4.01Å; L26-V50 HydrophobicContact CD1-CG1 3.31Å; A46-V50 VanDerWaalsContact O-CG2 3.27Å; A46-V50 WeakPolarHBondContact O-CG2 3.27Å; A46-V50 PolarHBondContact O-N 3.43Å; K47-V50 PolarHBondContact O-N 3.31Å; T48-V50 VanDerWaalsContact C-N 3.32Å; T48-V50 PolarHBondContact O-N 3.42Å; V50-T53 PolarHBondContact O-OG1 3.39Å; V50-G54 WeakPolarHBondContact O-CA 3.38Å; V50-G54 PolarHBondContact O-N 3.38Å; V50-F84 HydrophobicContact CG1-CD2 4.33Å; V50-F84 HydrophobicContact CG1-CE2 3.73Å; V50-A87 HydrophobicContact CB-CB 4.41Å; V50-A87 HydrophobicContact CG2-CB 3.67Å; V50-A87 WeakPolarHBondContact CG2-O 3.13Å; V50-L88 HydrophobicContact CG1-CD2 3.69Å; V50-L88 HydrophobicContact CG1-CG 3.99Å; V50-L88 HydrophobicContact CG2-CD2 4.34Å; V50-L88 HydrophobicContact CG2-CG 4.33Å; V50-L91 HydrophobicContact CG2-CB 4.18Å; V50-L91 HydrophobicContact CG2-CD2 4.14Å |
| 51 | L | 91 | Very high | 90.7 | Very high | 31 Ų | 31 | 48 Ų | 48 | 16% | 0.162 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65 | -47.7 | 177.2 | -66.1 | 171.6 | 0 | 0 | 0 | 111 | I23 L26 K47 T48 G54 Q55 | I23-L51 HydrophobicContact CB-CD2 4.3Å; I23-L51 HydrophobicContact CG1-CD2 4.46Å; I23-L51 HydrophobicContact CG2-CD2 3.72Å; L26-L51 HydrophobicContact CB-CD2 4.46Å; K47-L51 HydrophobicContact CG-CD1 4.05Å; K47-L51 VanDerWaalsContact O-CG 3.29Å; K47-L51 WeakPolarHBondContact O-CG 3.44Å; K47-L51 PolarHBondContact O-N 3.33Å; T48-L51 PolarHBondContact O-N 2.6Å; T48-L51 VanDerWaalsContact O-N 3.12Å; L51-G54 PolarHBondContact O-N 2.94Å; L51-Q55 WeakPolarHBondContact O-CG 3.34Å; L51-Q55 PolarHBondContact O-N 3.15Å |
| 52 | D | 93.1 | Very high | 90.9 | Very high | 93 Ų | 93 | 46.1 Ų | 46.1 | 50% | 0.497 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.3 | -48.2 | -179.2 | -70.8 | -12.5 | 0 | 0 | 0 | 111.7 | T48 G54 Q55 Y56 | T48-D52 PolarHBondContact O-N 2.7Å; D52-G54 VanDerWaalsContact C-N 3.35Å; D52-G54 PolarHBondContact O-N 2.97Å; D52-Q55 PolarHBondContact O-N 2.7Å; D52-Y56 WeakPolarHBondContact O-CB 3.28Å; D52-Y56 PolarHBondContact O-N 3.45Å |
| 53 | T | 94.3 | Very high | 91 | Very high | 26 Ų | 26 | 44.7 Ų | 44.7 | 16% | 0.16 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.9 | -32 | 178.7 | 56.8 | 0 | 0 | 0 | 0 | 112.4 | D49 V50 Y56 F57 A83 F84 A87 | D49-T53 VanDerWaalsContact O-CB 3.28Å; D49-T53 WeakPolarHBondContact O-CB 3.27Å; D49-T53 VanDerWaalsContact O-CG2 3.27Å; D49-T53 WeakPolarHBondContact O-CG2 3.49Å; D49-T53 PolarHBondContact O-N 3.34Å; D49-T53 PolarHBondContact O-OG1 3.02Å; V50-T53 PolarHBondContact O-OG1 3.39Å; T53-Y56 PolarHBondContact O-N 2.97Å; T53-F57 WeakPolarHBondContact O-CB 3.38Å; T53-F57 PolarHBondContact O-N 3.45Å; T53-A83 HydrophobicContact CG2-CB 3.91Å; T53-F84 WeakPolarHBondContact OG1-CA 3.43Å; T53-A87 HydrophobicContact CG2-CB 4.47Å |
| 54 | G | 92.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.5 | -45.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V50 L51 D52 F57 C58 F84 | V50-G54 WeakPolarHBondContact O-CA 3.38Å; V50-G54 PolarHBondContact O-N 3.38Å; L51-G54 PolarHBondContact O-N 2.94Å; D52-G54 VanDerWaalsContact C-N 3.35Å; D52-G54 PolarHBondContact O-N 2.97Å; G54-F57 PolarHBondContact O-N 3.42Å; G54-C58 PolarHBondContact O-N 3.26Å; G54-C58 PolarHBondContact O-SG 3.5Å; G54-F84 VanDerWaalsContact CA-CD2 3.43Å |
| 55 | Q | 91.1 | Very high | 91.2 | Very high | 116 Ų | 116 | 45.1 Ų | 45.1 | 54% | 0.542 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.1 | -43 | 173.2 | -72.1 | -179.9 | 15.1 | 0 | 0 | 111.7 | I23 L51 D52 F57 C58 S59 | I23-Q55 HydrophobicContact CD1-CG 4.42Å; L51-Q55 WeakPolarHBondContact O-CG 3.34Å; L51-Q55 PolarHBondContact O-N 3.15Å; D52-Q55 PolarHBondContact O-N 2.7Å; Q55-F57 VanDerWaalsContact C-N 3.29Å; Q55-F57 PolarHBondContact O-N 3.14Å; Q55-C58 PolarHBondContact O-N 2.92Å; Q55-S59 PolarHBondContact O-N 3.4Å; Q55-S59 PolarHBondContact O-OG 3.33Å |
| 56 | Y | 93.8 | Very high | 91.2 | Very high | 109 Ų | 109 | 46.5 Ų | 46.5 | 43% | 0.427 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.7 | -39.1 | 175 | 178.6 | -127.5 | 0 | 0 | 0 | 112.4 | D52 T53 S59 S60 A80 | D52-Y56 WeakPolarHBondContact O-CB 3.28Å; D52-Y56 PolarHBondContact O-N 3.45Å; T53-Y56 PolarHBondContact O-N 2.97Å; Y56-S59 PolarHBondContact O-N 2.86Å; Y56-S60 WeakPolarHBondContact O-CB 3.42Å; Y56-S60 PolarHBondContact O-N 2.9Å; Y56-S60 PolarHBondContact O-OG 3.33Å; Y56-A80 HydrophobicContact CD1-CB 3.49Å; Y56-A80 VanDerWaalsContact CD1-CB 3.49Å; Y56-A80 HydrophobicContact CE1-CB 3.48Å; Y56-A80 VanDerWaalsContact CE1-CB 3.48Å; Y56-A80 HydrophobicContact CG-CB 4.21Å |
| 57 | F | 93.9 | Very high | 91.2 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 7% | 0.066 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 173.9 | 179.9 | -118.7 | 0 | 0 | 0 | 112.1 | I15 V19 T53 G54 Q55 S59 S60 V61 V77 A80 I81 F84 | I15-F57 HydrophobicContact CG2-CE1 4.05Å; I15-F57 HydrophobicContact CG2-CZ 4.22Å; V19-F57 HydrophobicContact CG1-CD1 4.39Å; V19-F57 HydrophobicContact CG2-CD1 3.63Å; V19-F57 HydrophobicContact CG2-CE1 3.62Å; T53-F57 WeakPolarHBondContact O-CB 3.38Å; T53-F57 PolarHBondContact O-N 3.45Å; G54-F57 PolarHBondContact O-N 3.42Å; Q55-F57 VanDerWaalsContact C-N 3.29Å; Q55-F57 PolarHBondContact O-N 3.14Å; F57-S59 VanDerWaalsContact C-N 3.33Å; F57-S59 PolarHBondContact O-N 3.46Å; F57-S60 PolarHBondContact O-N 3.12Å; F57-V61 HydrophobicContact CD1-CG2 4.39Å; F57-V61 HydrophobicContact CD2-CG2 3.96Å; F57-V61 HydrophobicContact CE1-CG2 4.01Å; F57-V61 HydrophobicContact CE2-CG2 3.52Å; F57-V61 HydrophobicContact CG-CG2 4.37Å; F57-V61 HydrophobicContact CZ-CG2 3.55Å; F57-V61 WeakPolarHBondContact O-CB 3.41Å; F57-V61 VanDerWaalsContact O-CG2 3.3Å; F57-V61 WeakPolarHBondContact O-CG2 3.37Å; F57-V61 PolarHBondContact O-N 3.25Å; F57-V77 HydrophobicContact CE2-CG1 3.98Å; F57-A80 HydrophobicContact CB-CB 4.14Å; F57-A80 HydrophobicContact CD2-CB 4.09Å; F57-I81 HydrophobicContact CD2-CB 3.79Å; F57-I81 HydrophobicContact CD2-CG1 4.3Å; F57-I81 HydrophobicContact CE2-CB 3.53Å; F57-I81 HydrophobicContact CE2-CD1 3.93Å; F57-I81 HydrophobicContact CE2-CG1 3.83Å; F57-I81 HydrophobicContact CZ-CB 4.25Å; F57-I81 HydrophobicContact CZ-CD1 3.83Å; F57-I81 HydrophobicContact CZ-CG1 4.02Å; F57-F84 HydrophobicContact CB-CB 4.46Å; F57-F84 HydrophobicContact CD1-CD1 4.33Å |
| 58 | C | 91.4 | Very high | 90.9 | Very high | 19 Ų | 19 | 51.1 Ų | 51.1 | 13% | 0.128 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.2 | -43.6 | 175 | -72.5 | 0 | 0 | 0 | 0 | 112.9 | L16 V19 G54 Q55 S62 | L16-C58 HydrophobicContact CD2-CB 3.78Å; V19-C58 VanDerWaalsContact CG1-SG 3.5Å; G54-C58 PolarHBondContact O-N 3.26Å; G54-C58 PolarHBondContact O-SG 3.5Å; Q55-C58 PolarHBondContact O-N 2.92Å; C58-S62 PolarHBondContact O-N 2.93Å; C58-S62 PolarHBondContact O-OG 2.93Å; C58-S62 VanDerWaalsContact O-OG 3.07Å |
| 59 | S | 91.6 | Very high | 90.7 | Very high | 76 Ų | 76 | 52.5 Ų | 52.5 | 53% | 0.531 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.3 | -38.9 | 176.8 | -67.7 | 0 | 0 | 0 | 0 | 112.3 | Q55 Y56 F57 S62 S63 | Q55-S59 PolarHBondContact O-N 3.4Å; Q55-S59 PolarHBondContact O-OG 3.33Å; Y56-S59 PolarHBondContact O-N 2.86Å; F57-S59 VanDerWaalsContact C-N 3.33Å; F57-S59 PolarHBondContact O-N 3.46Å; S59-S62 PolarHBondContact O-N 3.16Å; S59-S63 WeakPolarHBondContact O-CB 3.4Å; S59-S63 PolarHBondContact O-N 3.34Å; S59-S63 PolarHBondContact O-OG 3.21Å |
| 60 | S | 91.7 | Very high | 90.4 | Very high | 12 Ų | 12 | 52 Ų | 52 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.5 | -41.1 | 177.4 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | Y56 F57 S63 F64 V77 A80 | Y56-S60 WeakPolarHBondContact O-CB 3.42Å; Y56-S60 PolarHBondContact O-N 2.9Å; Y56-S60 PolarHBondContact O-OG 3.33Å; F57-S60 PolarHBondContact O-N 3.12Å; S60-S63 PolarHBondContact O-N 3.18Å; S60-F64 WeakPolarHBondContact O-CB 3.25Å; S60-F64 PolarHBondContact O-N 3.29Å; S60-V77 VanDerWaalsContact O-CG2 3.27Å; S60-V77 WeakPolarHBondContact O-CG2 3.48Å; S60-A80 WeakPolarHBondContact OG-CB 3.43Å |
| 61 | V | 91.1 | Very high | 90.2 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.024 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.3 | -48.8 | 174.7 | 168.8 | 0 | 0 | 0 | 0 | 110.2 | Q12 I15 L16 F57 S63 F64 F65 V77 | Q12-V61 HydrophobicContact CG-CG1 4.21Å; I15-V61 HydrophobicContact CG2-CG1 4.32Å; I15-V61 HydrophobicContact CG2-CG2 4.29Å; L16-V61 HydrophobicContact CD2-CB 4.15Å; L16-V61 HydrophobicContact CD2-CG1 4.01Å; L16-V61 HydrophobicContact CG-CG1 4.36Å; F57-V61 HydrophobicContact CD1-CG2 4.39Å; F57-V61 HydrophobicContact CD2-CG2 3.96Å; F57-V61 HydrophobicContact CE1-CG2 4.01Å; F57-V61 HydrophobicContact CE2-CG2 3.52Å; F57-V61 HydrophobicContact CG-CG2 4.37Å; F57-V61 HydrophobicContact CZ-CG2 3.55Å; F57-V61 WeakPolarHBondContact O-CB 3.41Å; F57-V61 VanDerWaalsContact O-CG2 3.3Å; F57-V61 WeakPolarHBondContact O-CG2 3.37Å; F57-V61 PolarHBondContact O-N 3.25Å; V61-S63 VanDerWaalsContact C-N 3.29Å; V61-S63 PolarHBondContact O-N 2.87Å; V61-F64 PolarHBondContact O-N 3.02Å; V61-F65 HydrophobicContact CG1-CD2 3.71Å; V61-F65 HydrophobicContact CG1-CE2 3.77Å; V61-F65 WeakPolarHBondContact O-CD2 3.34Å; V61-F65 PolarHBondContact O-N 3.28Å; V61-V77 HydrophobicContact CG2-CG1 4.48Å |
| 62 | S | 90.9 | Very high | 90.1 | Very high | 46 Ų | 46 | 61.7 Ų | 61.7 | 32% | 0.322 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 177.9 | -60.1 | 0 | 0 | 0 | 0 | 112.7 | Q12 C58 S59 F65 S66 | Q12-S62 PolarHBondContact NE2-OG 2.94Å; C58-S62 PolarHBondContact O-N 2.93Å; C58-S62 PolarHBondContact O-OG 2.93Å; C58-S62 VanDerWaalsContact O-OG 3.07Å; S59-S62 PolarHBondContact O-N 3.16Å; S62-F65 PolarHBondContact O-N 3.42Å; S62-S66 PolarHBondContact O-N 3.17Å; S62-S66 VanDerWaalsContact O-N 3.12Å |
| 63 | S | 90.6 | Very high | 90 | Very high | 46 Ų | 46 | 61.5 Ų | 61.5 | 32% | 0.322 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 175.5 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | S59 S60 V61 S66 D67 Y73 | S59-S63 WeakPolarHBondContact O-CB 3.4Å; S59-S63 PolarHBondContact O-N 3.34Å; S59-S63 PolarHBondContact O-OG 3.21Å; S60-S63 PolarHBondContact O-N 3.18Å; V61-S63 VanDerWaalsContact C-N 3.29Å; V61-S63 PolarHBondContact O-N 2.87Å; S63-S66 PolarHBondContact O-N 3.42Å; S63-S66 PolarHBondContact O-OG 3Å; S63-D67 PolarHBondContact O-N 3.35Å; S63-Y73 WeakPolarHBondContact O-CD2 3.36Å |
| 64 | F | 90.1 | Very high | 89.5 | Confident | 56 Ų | 56 | 65.4 Ų | 65.4 | 25% | 0.246 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 176.6 | 172.3 | -100.3 | 0 | 0 | 0 | 113.2 | S60 V61 S66 D67 P68 Q74 V77 | S60-F64 WeakPolarHBondContact O-CB 3.25Å; S60-F64 PolarHBondContact O-N 3.29Å; V61-F64 PolarHBondContact O-N 3.02Å; F64-S66 PolarHBondContact O-N 3.48Å; F64-D67 CarbonylContact O-C 3.57Å; F64-D67 PolarHBondContact O-N 3.22Å; F64-P68 HydrophobicContact CE2-CB 4.32Å; F64-P68 HydrophobicContact CZ-CB 4.21Å; F64-P68 WeakPolarHBondContact O-CA 3.1Å; F64-P68 WeakPolarHBondContact O-CD 3.23Å; F64-P68 VanDerWaalsContact O-N 3.07Å; F64-Q74 HydrophobicContact CD2-CB 4.33Å; F64-Q74 HydrophobicContact CE2-CB 4.2Å; F64-Q74 HydrophobicContact CE2-CG 4.41Å; F64-V77 HydrophobicContact CB-CG2 3.45Å; F64-V77 VanDerWaalsContact CB-CG2 3.45Å; F64-V77 HydrophobicContact CG-CG2 4.02Å |
| 65 | F | 88 | Confident | 89.2 | Confident | 71 Ų | 71 | 67.8 Ų | 67.8 | 31% | 0.311 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.6 | -22.9 | 176.9 | -84.2 | -83.1 | 0 | 0 | 0 | 113 | Q12 I15 V61 S62 | Q12-F65 HydrophobicContact CB-CB 4.41Å; Q12-F65 HydrophobicContact CB-CD1 3.92Å; Q12-F65 HydrophobicContact CB-CD2 3.61Å; Q12-F65 HydrophobicContact CB-CE1 4Å; Q12-F65 HydrophobicContact CB-CE2 3.71Å; Q12-F65 HydrophobicContact CB-CG 3.72Å; Q12-F65 HydrophobicContact CB-CZ 3.9Å; Q12-F65 HydrophobicContact CG-CB 4.25Å; Q12-F65 HydrophobicContact CG-CD2 3.61Å; Q12-F65 HydrophobicContact CG-CE2 4.06Å; Q12-F65 HydrophobicContact CG-CG 3.92Å; I15-F65 HydrophobicContact CD1-CE2 4.19Å; I15-F65 HydrophobicContact CD1-CZ 4.34Å; V61-F65 HydrophobicContact CG1-CD2 3.71Å; V61-F65 HydrophobicContact CG1-CE2 3.77Å; V61-F65 WeakPolarHBondContact O-CD2 3.34Å; V61-F65 PolarHBondContact O-N 3.28Å; S62-F65 PolarHBondContact O-N 3.42Å |
| 66 | S | 89.3 | Confident | 89.2 | Confident | 90 Ų | 90 | 62.7 Ų | 62.7 | 63% | 0.629 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -71.5 | -32.1 | 173.6 | 77.3 | 0 | 0 | 0 | 0 | 113.4 | S62 S63 F64 | S62-S66 PolarHBondContact O-N 3.17Å; S62-S66 VanDerWaalsContact O-N 3.12Å; S63-S66 PolarHBondContact O-N 3.42Å; S63-S66 PolarHBondContact O-OG 3Å; F64-S66 PolarHBondContact O-N 3.48Å |
| 67 | D | 88.7 | Confident | 89.1 | Confident | 65 Ų | 65 | 58.8 Ų | 58.8 | 35% | 0.348 | 35% | 0.345 | S | S | . | . | trans | -150.3 | 86.9 | 175 | -177.5 | 5 | 0 | 0 | 0 | 111.2 | S63 F64 A69 N70 Y73 | S63-D67 PolarHBondContact O-N 3.35Å; F64-D67 CarbonylContact O-C 3.57Å; F64-D67 PolarHBondContact O-N 3.22Å; D67-A69 PolarHBondContact O-N 3.49Å; D67-A69 PolarHBondContact OD1-N 3.37Å; D67-N70 HydrophobicContact CB-CB 4.33Å; D67-N70 WeakPolarHBondContact O-CB 3.33Å; D67-N70 PolarHBondContact O-N 3.21Å; D67-Y73 HydrophobicContact CB-CD2 3.98Å; D67-Y73 HydrophobicContact CB-CE2 3.85Å | ||
| 68 | P | 83.2 | Confident | 88.9 | Confident | 77 Ų | 77 | 61.3 Ų | 61.3 | 50% | 0.5 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -16.5 | -176.7 | -22.2 | 33.7 | 0 | 0 | 0 | 114.5 | F64 N70 | F64-P68 HydrophobicContact CE2-CB 4.32Å; F64-P68 HydrophobicContact CZ-CB 4.21Å; F64-P68 WeakPolarHBondContact O-CA 3.1Å; F64-P68 WeakPolarHBondContact O-CD 3.23Å; F64-P68 VanDerWaalsContact O-N 3.07Å; P68-N70 VanDerWaalsContact C-N 3.28Å |
| 69 | A | 84.4 | Confident | 89 | Confident | 91 Ų | 91 | 67.5 Ų | 67.5 | 75% | 0.752 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -11.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D67 E71 | D67-A69 PolarHBondContact O-N 3.49Å; D67-A69 PolarHBondContact OD1-N 3.37Å; A69-E71 PolarHBondContact O-N 3.42Å |
| 70 | N | 86.8 | Confident | 89.1 | Confident | 50 Ų | 50 | 63.9 Ų | 63.9 | 27% | 0.267 | 36% | 0.359 | S | S | . | . | trans | -80.3 | 108.6 | -179 | -166.7 | -35.8 | 0 | 0 | 0 | 111.7 | D67 P68 S72 Y73 Q74 | D67-N70 HydrophobicContact CB-CB 4.33Å; D67-N70 WeakPolarHBondContact O-CB 3.33Å; D67-N70 PolarHBondContact O-N 3.21Å; P68-N70 VanDerWaalsContact C-N 3.28Å; N70-S72 PolarHBondContact O-N 2.88Å; N70-S72 WeakPolarHBondContact OD1-CA 3.45Å; N70-S72 WeakPolarHBondContact OD1-CB 3.35Å; N70-S72 PolarHBondContact OD1-N 2.89Å; N70-Y73 HydrophobicContact CB-CD2 3.65Å; N70-Y73 HydrophobicContact CB-CE2 4.21Å; N70-Y73 HydrophobicContact CB-CG 4.01Å; N70-Y73 PolarHBondContact O-N 3.34Å; N70-Y73 VanDerWaalsContact O-N 3.08Å; N70-Q74 PolarHBondContact O-N 3.46Å; N70-Q74 VanDerWaalsContact O-N 3.14Å | ||
| 71 | E | 86.2 | Confident | 89.1 | Confident | 164 Ų | 164 | 66.1 Ų | 66.1 | 77% | 0.766 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -57.7 | -31.4 | 177.6 | -66.9 | -171.1 | 165.4 | 0 | 0 | 112.9 | A69 Q74 S75 | A69-E71 PolarHBondContact O-N 3.42Å; E71-Q74 PolarHBondContact O-N 2.96Å; E71-S75 WeakPolarHBondContact O-CB 3.27Å; E71-S75 PolarHBondContact O-N 2.69Å |
| 72 | S | 90.5 | Very high | 89.2 | Confident | 69 Ų | 69 | 70.9 Ų | 70.9 | 48% | 0.483 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 176.6 | -172.8 | 0 | 0 | 0 | 0 | 111.2 | N70 S75 G76 | N70-S72 PolarHBondContact O-N 2.88Å; N70-S72 WeakPolarHBondContact OD1-CA 3.45Å; N70-S72 WeakPolarHBondContact OD1-CB 3.35Å; N70-S72 PolarHBondContact OD1-N 2.89Å; S72-S75 PolarHBondContact O-N 2.83Å; S72-S75 PolarHBondContact O-OG 3.42Å; S72-G76 PolarHBondContact O-N 3.04Å |
| 73 | Y | 89.5 | Confident | 89.3 | Confident | 89 Ų | 89 | 70.6 Ų | 70.6 | 35% | 0.349 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 177.4 | -64.5 | -19.9 | 0 | 0 | 0 | 112.1 | S63 D67 N70 S75 G76 V77 | S63-Y73 WeakPolarHBondContact O-CD2 3.36Å; D67-Y73 HydrophobicContact CB-CD2 3.98Å; D67-Y73 HydrophobicContact CB-CE2 3.85Å; N70-Y73 HydrophobicContact CB-CD2 3.65Å; N70-Y73 HydrophobicContact CB-CE2 4.21Å; N70-Y73 HydrophobicContact CB-CG 4.01Å; N70-Y73 PolarHBondContact O-N 3.34Å; N70-Y73 VanDerWaalsContact O-N 3.08Å; Y73-S75 VanDerWaalsContact C-N 3.34Å; Y73-S75 PolarHBondContact O-N 3.32Å; Y73-G76 PolarHBondContact O-N 3.48Å; Y73-G76 VanDerWaalsContact O-N 3.15Å; Y73-V77 WeakPolarHBondContact O-CG2 3.37Å; Y73-V77 PolarHBondContact O-N 2.89Å |
| 74 | Q | 83.9 | Confident | 89.5 | Confident | 109 Ų | 109 | 69 Ų | 69 | 51% | 0.509 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.2 | -46.3 | 172.9 | -171.1 | 179.2 | -3.9 | 0 | 0 | 111.3 | F64 N70 E71 G76 V77 C78 | F64-Q74 HydrophobicContact CD2-CB 4.33Å; F64-Q74 HydrophobicContact CE2-CB 4.2Å; F64-Q74 HydrophobicContact CE2-CG 4.41Å; N70-Q74 PolarHBondContact O-N 3.46Å; N70-Q74 VanDerWaalsContact O-N 3.14Å; E71-Q74 PolarHBondContact O-N 2.96Å; Q74-G76 VanDerWaalsContact C-N 3.29Å; Q74-G76 PolarHBondContact O-N 3.34Å; Q74-V77 PolarHBondContact O-N 3.27Å; Q74-C78 PolarHBondContact O-N 2.81Å; Q74-C78 VanDerWaalsContact O-N 3.14Å; Q74-C78 PolarHBondContact O-SG 3.25Å |
| 75 | S | 87.5 | Confident | 89.6 | Confident | 50 Ų | 50 | 70.7 Ų | 70.7 | 35% | 0.35 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.3 | -33.2 | 175.5 | 83.2 | 0 | 0 | 0 | 0 | 112.9 | E71 S72 Y73 R79 | E71-S75 WeakPolarHBondContact O-CB 3.27Å; E71-S75 PolarHBondContact O-N 2.69Å; S72-S75 PolarHBondContact O-N 2.83Å; S72-S75 PolarHBondContact O-OG 3.42Å; Y73-S75 VanDerWaalsContact C-N 3.34Å; Y73-S75 PolarHBondContact O-N 3.32Å; S75-R79 WeakPolarHBondContact O-CG 3.32Å; S75-R79 PolarHBondContact O-N 3.21Å; S75-R79 PolarHBondContact O-NE 2.89Å |
| 76 | G | 91.1 | Very high | 89.8 | Confident | 9 Ų | 9 | 70.2 Ų | 70.2 | 9% | 0.093 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.2 | -48.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S72 Y73 Q74 C78 R79 A80 | S72-G76 PolarHBondContact O-N 3.04Å; Y73-G76 PolarHBondContact O-N 3.48Å; Y73-G76 VanDerWaalsContact O-N 3.15Å; Q74-G76 VanDerWaalsContact C-N 3.29Å; Q74-G76 PolarHBondContact O-N 3.34Å; G76-C78 VanDerWaalsContact C-N 3.34Å; G76-C78 PolarHBondContact O-N 2.93Å; G76-R79 PolarHBondContact O-N 3.4Å; G76-A80 WeakPolarHBondContact O-CB 3.38Å; G76-A80 PolarHBondContact O-N 3.33Å |
| 77 | V | 90.5 | Very high | 89.9 | Confident | 27 Ų | 27 | 66.2 Ų | 66.2 | 16% | 0.164 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 175.1 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | F57 S60 V61 F64 Y73 Q74 R79 A80 I81 | F57-V77 HydrophobicContact CE2-CG1 3.98Å; S60-V77 VanDerWaalsContact O-CG2 3.27Å; S60-V77 WeakPolarHBondContact O-CG2 3.48Å; V61-V77 HydrophobicContact CG2-CG1 4.48Å; F64-V77 HydrophobicContact CB-CG2 3.45Å; F64-V77 VanDerWaalsContact CB-CG2 3.45Å; F64-V77 HydrophobicContact CG-CG2 4.02Å; Y73-V77 WeakPolarHBondContact O-CG2 3.37Å; Y73-V77 PolarHBondContact O-N 2.89Å; Q74-V77 PolarHBondContact O-N 3.27Å; V77-R79 PolarHBondContact O-N 3.23Å; V77-A80 PolarHBondContact O-N 3.43Å; V77-I81 WeakPolarHBondContact O-CG2 3.35Å; V77-I81 PolarHBondContact O-N 3.48Å |
| 78 | C | 89.5 | Confident | 90 | Very high | 67 Ų | 67 | 64.7 Ų | 64.7 | 45% | 0.453 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.2 | -40 | 178.2 | -70 | 0 | 0 | 0 | 0 | 112.8 | Q74 G76 I81 N82 | Q74-C78 PolarHBondContact O-N 2.81Å; Q74-C78 VanDerWaalsContact O-N 3.14Å; Q74-C78 PolarHBondContact O-SG 3.25Å; G76-C78 VanDerWaalsContact C-N 3.34Å; G76-C78 PolarHBondContact O-N 2.93Å; C78-I81 WeakPolarHBondContact O-CG2 3.35Å; C78-N82 WeakPolarHBondContact O-CB 3.25Å; C78-N82 PolarHBondContact O-N 3.37Å; C78-N82 PolarHBondContact O-ND2 3.37Å; C78-N82 VanDerWaalsContact O-ND2 3.15Å |
| 79 | R | 93.5 | Very high | 90.4 | Very high | 149 Ų | 149 | 64 Ų | 64 | 56% | 0.562 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -67.9 | -44.9 | 175.5 | -76.9 | -178.2 | -71.4 | 174.3 | -3.6 | 111.7 | S75 G76 V77 N82 A83 | S75-R79 WeakPolarHBondContact O-CG 3.32Å; S75-R79 PolarHBondContact O-N 3.21Å; S75-R79 PolarHBondContact O-NE 2.89Å; G76-R79 PolarHBondContact O-N 3.4Å; V77-R79 PolarHBondContact O-N 3.23Å; R79-N82 PolarHBondContact O-N 3.13Å; R79-A83 PolarHBondContact O-N 3Å |
| 80 | A | 93.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.1 | -42.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y56 F57 S60 G76 V77 N82 A83 F84 | Y56-A80 HydrophobicContact CD1-CB 3.49Å; Y56-A80 VanDerWaalsContact CD1-CB 3.49Å; Y56-A80 HydrophobicContact CE1-CB 3.48Å; Y56-A80 VanDerWaalsContact CE1-CB 3.48Å; Y56-A80 HydrophobicContact CG-CB 4.21Å; F57-A80 HydrophobicContact CB-CB 4.14Å; F57-A80 HydrophobicContact CD2-CB 4.09Å; S60-A80 WeakPolarHBondContact OG-CB 3.43Å; G76-A80 WeakPolarHBondContact O-CB 3.38Å; G76-A80 PolarHBondContact O-N 3.33Å; V77-A80 PolarHBondContact O-N 3.43Å; A80-N82 PolarHBondContact O-N 3.42Å; A80-A83 PolarHBondContact O-N 3.47Å; A80-F84 WeakPolarHBondContact O-CB 3.26Å; A80-F84 PolarHBondContact O-N 3.11Å |
| 81 | I | 93.1 | Very high | 90.8 | Very high | 60 Ų | 60 | 62.2 Ų | 62.2 | 31% | 0.308 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 177.4 | -160.7 | 169.6 | 0 | 0 | 0 | 111.9 | F57 V77 C78 F84 L85 | F57-I81 HydrophobicContact CD2-CB 3.79Å; F57-I81 HydrophobicContact CD2-CG1 4.3Å; F57-I81 HydrophobicContact CE2-CB 3.53Å; F57-I81 HydrophobicContact CE2-CD1 3.93Å; F57-I81 HydrophobicContact CE2-CG1 3.83Å; F57-I81 HydrophobicContact CZ-CB 4.25Å; F57-I81 HydrophobicContact CZ-CD1 3.83Å; F57-I81 HydrophobicContact CZ-CG1 4.02Å; V77-I81 WeakPolarHBondContact O-CG2 3.35Å; V77-I81 PolarHBondContact O-N 3.48Å; C78-I81 WeakPolarHBondContact O-CG2 3.35Å; I81-F84 PolarHBondContact O-N 3.3Å; I81-L85 HydrophobicContact CG1-CD1 4.11Å; I81-L85 HydrophobicContact CG1-CG 4.27Å; I81-L85 WeakPolarHBondContact O-CB 3.32Å; I81-L85 VanDerWaalsContact O-CG 3.25Å; I81-L85 WeakPolarHBondContact O-CG 3.48Å; I81-L85 PolarHBondContact O-N 3.24Å |
| 82 | N | 92.9 | Very high | 90.8 | Very high | 104 Ų | 104 | 60 Ų | 60 | 56% | 0.556 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.1 | -41.9 | 177.3 | -75.4 | -20.9 | 0 | 0 | 0 | 111.6 | C78 R79 A80 A86 | C78-N82 WeakPolarHBondContact O-CB 3.25Å; C78-N82 PolarHBondContact O-N 3.37Å; C78-N82 PolarHBondContact O-ND2 3.37Å; C78-N82 VanDerWaalsContact O-ND2 3.15Å; R79-N82 PolarHBondContact O-N 3.13Å; A80-N82 PolarHBondContact O-N 3.42Å; N82-A86 WeakPolarHBondContact O-CB 3.47Å; N82-A86 PolarHBondContact O-N 3.46Å |
| 83 | A | 93.8 | Very high | 90.6 | Very high | 39 Ų | 39 | 61.7 Ų | 61.7 | 32% | 0.322 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | T53 R79 A80 A86 A87 | T53-A83 HydrophobicContact CG2-CB 3.91Å; R79-A83 PolarHBondContact O-N 3Å; A80-A83 PolarHBondContact O-N 3.47Å; A83-A86 PolarHBondContact O-N 3.42Å; A83-A87 WeakPolarHBondContact O-CB 3.34Å; A83-A87 PolarHBondContact O-N 2.81Å |
| 84 | F | 94 | Very high | 90.5 | Very high | 14 Ų | 14 | 58.4 Ų | 58.4 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 177.9 | -178.4 | -127.4 | 0 | 0 | 0 | 112.7 | V19 V22 V50 T53 G54 F57 A80 I81 A86 A87 L88 | V19-F84 HydrophobicContact CG1-CE1 4.25Å; V19-F84 HydrophobicContact CG1-CZ 4.04Å; V19-F84 HydrophobicContact CG2-CE1 4.41Å; V22-F84 HydrophobicContact CG1-CZ 4.31Å; V50-F84 HydrophobicContact CG1-CD2 4.33Å; V50-F84 HydrophobicContact CG1-CE2 3.73Å; T53-F84 WeakPolarHBondContact OG1-CA 3.43Å; G54-F84 VanDerWaalsContact CA-CD2 3.43Å; F57-F84 HydrophobicContact CB-CB 4.46Å; F57-F84 HydrophobicContact CD1-CD1 4.33Å; A80-F84 WeakPolarHBondContact O-CB 3.26Å; A80-F84 PolarHBondContact O-N 3.11Å; I81-F84 PolarHBondContact O-N 3.3Å; F84-A86 VanDerWaalsContact C-N 3.34Å; F84-A86 PolarHBondContact O-N 3.31Å; F84-A87 PolarHBondContact O-N 2.89Å; F84-L88 HydrophobicContact CD1-CD1 3.79Å; F84-L88 HydrophobicContact CD2-CD1 4.08Å; F84-L88 HydrophobicContact CD2-CG 4.27Å; F84-L88 HydrophobicContact CE1-CD1 3.44Å; F84-L88 VanDerWaalsContact CE1-CD1 3.44Å; F84-L88 HydrophobicContact CE2-CD1 3.78Å; F84-L88 HydrophobicContact CE2-CD2 4.49Å; F84-L88 HydrophobicContact CE2-CG 3.99Å; F84-L88 HydrophobicContact CG-CD1 4.1Å; F84-L88 HydrophobicContact CZ-CD1 3.45Å; F84-L88 VanDerWaalsContact CZ-CD1 3.45Å; F84-L88 HydrophobicContact CZ-CD2 4.5Å; F84-L88 HydrophobicContact CZ-CG 4.12Å; F84-L88 WeakPolarHBondContact O-CB 3.28Å; F84-L88 WeakPolarHBondContact O-CG 3.33Å; F84-L88 PolarHBondContact O-N 3Å |
| 85 | L | 91.7 | Very high | 90.5 | Very high | 90 Ų | 90 | 54.4 Ų | 54.4 | 47% | 0.471 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 176.4 | -72.6 | 173.7 | 0 | 0 | 0 | 112 | I81 S89 | I81-L85 HydrophobicContact CG1-CD1 4.11Å; I81-L85 HydrophobicContact CG1-CG 4.27Å; I81-L85 WeakPolarHBondContact O-CB 3.32Å; I81-L85 VanDerWaalsContact O-CG 3.25Å; I81-L85 WeakPolarHBondContact O-CG 3.48Å; I81-L85 PolarHBondContact O-N 3.24Å; L85-S89 VanDerWaalsContact O-CB 3.28Å; L85-S89 WeakPolarHBondContact O-CB 3.5Å; L85-S89 PolarHBondContact O-N 2.97Å; L85-S89 PolarHBondContact O-OG 3.27Å |
| 86 | A | 92.8 | Very high | 90.4 | Very high | 61 Ų | 61 | 56 Ų | 56 | 50% | 0.504 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N82 A83 F84 S89 R90 | N82-A86 WeakPolarHBondContact O-CB 3.47Å; N82-A86 PolarHBondContact O-N 3.46Å; A83-A86 PolarHBondContact O-N 3.42Å; F84-A86 VanDerWaalsContact C-N 3.34Å; F84-A86 PolarHBondContact O-N 3.31Å; A86-S89 PolarHBondContact O-N 3.34Å; A86-R90 PolarHBondContact O-N 3.29Å |
| 87 | A | 91.4 | Very high | 90.1 | Very high | 7 Ų | 7 | 59 Ų | 59 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D49 V50 T53 A83 F84 S89 R90 L91 | D49-A87 HydrophobicContact CB-CB 4.01Å; V50-A87 HydrophobicContact CB-CB 4.41Å; V50-A87 HydrophobicContact CG2-CB 3.67Å; V50-A87 WeakPolarHBondContact CG2-O 3.13Å; T53-A87 HydrophobicContact CG2-CB 4.47Å; A83-A87 WeakPolarHBondContact O-CB 3.34Å; A83-A87 PolarHBondContact O-N 2.81Å; F84-A87 PolarHBondContact O-N 2.89Å; A87-S89 PolarHBondContact O-N 3.32Å; A87-R90 WeakPolarHBondContact O-CB 3.46Å; A87-R90 PolarHBondContact O-N 3.42Å; A87-L91 PolarHBondContact O-N 3.13Å |
| 88 | L | 91 | Very high | 89.9 | Confident | 33 Ų | 33 | 57.7 Ų | 57.7 | 17% | 0.173 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 176.3 | -82.8 | 167.3 | 0 | 0 | 0 | 111.8 | V22 V50 F84 R90 L91 L92 | V22-L88 HydrophobicContact CG1-CD2 4.01Å; V50-L88 HydrophobicContact CG1-CD2 3.69Å; V50-L88 HydrophobicContact CG1-CG 3.99Å; V50-L88 HydrophobicContact CG2-CD2 4.34Å; V50-L88 HydrophobicContact CG2-CG 4.33Å; F84-L88 HydrophobicContact CD1-CD1 3.79Å; F84-L88 HydrophobicContact CD2-CD1 4.08Å; F84-L88 HydrophobicContact CD2-CG 4.27Å; F84-L88 HydrophobicContact CE1-CD1 3.44Å; F84-L88 VanDerWaalsContact CE1-CD1 3.44Å; F84-L88 HydrophobicContact CE2-CD1 3.78Å; F84-L88 HydrophobicContact CE2-CD2 4.49Å; F84-L88 HydrophobicContact CE2-CG 3.99Å; F84-L88 HydrophobicContact CG-CD1 4.1Å; F84-L88 HydrophobicContact CZ-CD1 3.45Å; F84-L88 VanDerWaalsContact CZ-CD1 3.45Å; F84-L88 HydrophobicContact CZ-CD2 4.5Å; F84-L88 HydrophobicContact CZ-CG 4.12Å; F84-L88 WeakPolarHBondContact O-CB 3.28Å; F84-L88 WeakPolarHBondContact O-CG 3.33Å; F84-L88 PolarHBondContact O-N 3Å; L88-R90 VanDerWaalsContact C-N 3.3Å; L88-R90 PolarHBondContact O-N 3.35Å; L88-L91 PolarHBondContact O-N 2.76Å; L88-L92 WeakPolarHBondContact O-CG 3.2Å; L88-L92 PolarHBondContact O-N 2.94Å |
| 89 | S | 90.5 | Very high | 89.5 | Confident | 62 Ų | 62 | 56.8 Ų | 56.8 | 43% | 0.434 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.3 | -43.1 | 177.9 | -59.9 | 0 | 0 | 0 | 0 | 110.9 | L85 A86 A87 L91 L92 I93 | L85-S89 VanDerWaalsContact O-CB 3.28Å; L85-S89 WeakPolarHBondContact O-CB 3.5Å; L85-S89 PolarHBondContact O-N 2.97Å; L85-S89 PolarHBondContact O-OG 3.27Å; A86-S89 PolarHBondContact O-N 3.34Å; A87-S89 PolarHBondContact O-N 3.32Å; S89-L91 PolarHBondContact O-N 3.35Å; S89-L92 PolarHBondContact O-N 3.04Å; S89-I93 WeakPolarHBondContact O-CB 3.29Å; S89-I93 WeakPolarHBondContact O-CD1 3.36Å; S89-I93 WeakPolarHBondContact O-CG1 3.43Å; S89-I93 PolarHBondContact O-N 2.92Å |
| 90 | R | 91.3 | Very high | 89.1 | Confident | 92 Ų | 92 | 50.9 Ų | 50.9 | 35% | 0.347 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 175.8 | -172.3 | 169.9 | 82.7 | 130.2 | -1.6 | 112 | D49 A86 A87 L88 I93 L94 | D49-R90 IonicContact OD2-CZ 3.4Å; D49-R90 IonicContact OD2-NE 3.78Å; D49-R90 IonicContact OD2-NH2 2.6Å; D49-R90 PolarHBondContact OD2-NH2 2.93Å; A86-R90 PolarHBondContact O-N 3.29Å; A87-R90 WeakPolarHBondContact O-CB 3.46Å; A87-R90 PolarHBondContact O-N 3.42Å; L88-R90 VanDerWaalsContact C-N 3.3Å; L88-R90 PolarHBondContact O-N 3.35Å; R90-I93 PolarHBondContact O-N 3.35Å; R90-L94 HydrophobicContact CG-CD1 4.5Å; R90-L94 WeakPolarHBondContact O-CG 3.2Å; R90-L94 PolarHBondContact O-N 2.97Å |
| 91 | L | 88.6 | Confident | 88.8 | Confident | 11 Ų | 11 | 54.3 Ų | 54.3 | 6% | 0.058 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 177.5 | -179.5 | 63 | 0 | 0 | 0 | 112.1 | L26 F43 A46 V50 A87 L88 S89 L94 A95 | L26-L91 HydrophobicContact CD1-CD2 3.84Å; L26-L91 HydrophobicContact CD2-CD2 3.54Å; L26-L91 HydrophobicContact CG-CD2 4.35Å; F43-L91 HydrophobicContact CD1-CD1 3.78Å; F43-L91 HydrophobicContact CE1-CD1 4.17Å; A46-L91 HydrophobicContact CB-CB 4.28Å; A46-L91 HydrophobicContact CB-CD1 4.13Å; V50-L91 HydrophobicContact CG2-CB 4.18Å; V50-L91 HydrophobicContact CG2-CD2 4.14Å; A87-L91 PolarHBondContact O-N 3.13Å; L88-L91 PolarHBondContact O-N 2.76Å; S89-L91 PolarHBondContact O-N 3.35Å; L91-L94 PolarHBondContact O-N 2.96Å; L91-A95 PolarHBondContact O-N 3.13Å |
| 92 | L | 86.8 | Confident | 88.5 | Confident | 119 Ų | 119 | 52.6 Ų | 52.6 | 62% | 0.623 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -66 | -37.5 | 177.9 | -69.5 | 173.4 | 0 | 0 | 0 | 112.3 | L88 S89 A95 D96 | L88-L92 WeakPolarHBondContact O-CG 3.2Å; L88-L92 PolarHBondContact O-N 2.94Å; S89-L92 PolarHBondContact O-N 3.04Å; L92-A95 WeakPolarHBondContact O-CB 3.28Å; L92-A95 PolarHBondContact O-N 2.93Å; L92-D96 PolarHBondContact O-N 3.41Å |
| 93 | I | 87.1 | Confident | 88.3 | Confident | 104 Ų | 104 | 47.9 Ų | 47.9 | 53% | 0.533 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64 | -44.9 | 173.7 | -69.9 | 163.4 | 0 | 0 | 0 | 110.3 | S89 R90 A95 D96 I97 | S89-I93 WeakPolarHBondContact O-CB 3.29Å; S89-I93 WeakPolarHBondContact O-CD1 3.36Å; S89-I93 WeakPolarHBondContact O-CG1 3.43Å; S89-I93 PolarHBondContact O-N 2.92Å; R90-I93 PolarHBondContact O-N 3.35Å; I93-A95 VanDerWaalsContact C-N 3.3Å; I93-A95 PolarHBondContact O-N 2.91Å; I93-D96 PolarHBondContact O-N 2.84Å; I93-I97 HydrophobicContact CG2-CD1 3.87Å; I93-I97 HydrophobicContact CG2-CG1 4.46Å; I93-I97 VanDerWaalsContact O-CG1 3.29Å; I93-I97 WeakPolarHBondContact O-CG1 3.47Å; I93-I97 PolarHBondContact O-N 3.38Å |
| 94 | L | 86.7 | Confident | 88.1 | Confident | 20 Ų | 20 | 48.4 Ų | 48.4 | 11% | 0.105 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 175.8 | -74.3 | 168.4 | 0 | 0 | 0 | 111.9 | D42 F43 A46 R90 L91 I97 A98 | D42-L94 HydrophobicContact CB-CD1 4.07Å; D42-L94 HydrophobicContact CB-CD2 4.04Å; F43-L94 HydrophobicContact CD1-CB 4.21Å; F43-L94 HydrophobicContact CE1-CB 3.75Å; F43-L94 HydrophobicContact CE2-CB 4.22Å; F43-L94 HydrophobicContact CZ-CB 3.78Å; F43-L94 WeakPolarHBondContact CZ-O 3.49Å; A46-L94 HydrophobicContact CB-CD1 3.69Å; R90-L94 HydrophobicContact CG-CD1 4.5Å; R90-L94 WeakPolarHBondContact O-CG 3.2Å; R90-L94 PolarHBondContact O-N 2.97Å; L91-L94 PolarHBondContact O-N 2.96Å; L94-I97 PolarHBondContact O-N 2.79Å; L94-A98 WeakPolarHBondContact O-CB 3.35Å; L94-A98 PolarHBondContact O-N 2.8Å |
| 95 | A | 84 | Confident | 88 | Confident | 25 Ų | 25 | 52.7 Ų | 52.7 | 21% | 0.207 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | F43 L91 L92 I93 I97 A98 D99 | F43-A95 HydrophobicContact CE1-CB 4.39Å; L91-A95 PolarHBondContact O-N 3.13Å; L92-A95 WeakPolarHBondContact O-CB 3.28Å; L92-A95 PolarHBondContact O-N 2.93Å; I93-A95 VanDerWaalsContact C-N 3.3Å; I93-A95 PolarHBondContact O-N 2.91Å; A95-I97 VanDerWaalsContact C-N 3.34Å; A95-I97 PolarHBondContact O-N 2.91Å; A95-A98 WeakPolarHBondContact O-CB 3.44Å; A95-A98 PolarHBondContact O-N 3.19Å; A95-D99 PolarHBondContact O-N 3.44Å |
| 96 | D | 84.5 | Confident | 88.1 | Confident | 83 Ų | 83 | 49.4 Ų | 49.4 | 44% | 0.444 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65 | -35.9 | 177.4 | 179.3 | 62.3 | 0 | 0 | 0 | 112.7 | L92 I93 S100 R147 | L92-D96 PolarHBondContact O-N 3.41Å; I93-D96 PolarHBondContact O-N 2.84Å; D96-S100 WeakPolarHBondContact O-CB 3.32Å; D96-S100 PolarHBondContact O-N 2.96Å; D96-S100 PolarHBondContact O-OG 3.5Å; D96-R147 IonicContact OD1-CZ 3.89Å; D96-R147 IonicContact OD1-NH2 3.9Å; D96-R147 PolarHBondContact OD1-NH2 3.4Å; D96-R147 IonicContact OD2-NH2 2.91Å |
| 97 | I | 86 | Confident | 88.2 | Confident | 71 Ų | 71 | 46.5 Ų | 46.5 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.6 | -45.7 | 172.7 | -66.3 | 166.9 | 0 | 0 | 0 | 110.2 | L39 I93 L94 A95 S100 L101 | L39-I97 HydrophobicContact CD1-CG2 3.98Å; I93-I97 HydrophobicContact CG2-CD1 3.87Å; I93-I97 HydrophobicContact CG2-CG1 4.46Å; I93-I97 VanDerWaalsContact O-CG1 3.29Å; I93-I97 WeakPolarHBondContact O-CG1 3.47Å; I93-I97 PolarHBondContact O-N 3.38Å; L94-I97 PolarHBondContact O-N 2.79Å; A95-I97 VanDerWaalsContact C-N 3.34Å; A95-I97 PolarHBondContact O-N 2.91Å; I97-S100 WeakPolarHBondContact O-CB 3.48Å; I97-S100 PolarHBondContact O-N 3.38Å; I97-L101 HydrophobicContact CG2-CD1 4.14Å; I97-L101 HydrophobicContact CG2-CG 4.47Å; I97-L101 WeakPolarHBondContact O-CG 3.34Å; I97-L101 PolarHBondContact O-N 2.95Å |
| 98 | A | 84.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.7 | -46 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V32 V36 L39 F43 L94 A95 S100 L101 V102 | V32-A98 HydrophobicContact CG1-CB 3.89Å; V36-A98 HydrophobicContact CG2-CB 4.11Å; L39-A98 HydrophobicContact CD1-CB 4.05Å; F43-A98 HydrophobicContact CE2-CB 3.81Å; F43-A98 HydrophobicContact CZ-CB 3.75Å; L94-A98 WeakPolarHBondContact O-CB 3.35Å; L94-A98 PolarHBondContact O-N 2.8Å; A95-A98 WeakPolarHBondContact O-CB 3.44Å; A95-A98 PolarHBondContact O-N 3.19Å; A98-S100 VanDerWaalsContact C-N 3.27Å; A98-S100 PolarHBondContact O-N 3.25Å; A98-L101 PolarHBondContact O-N 3.19Å; A98-L101 VanDerWaalsContact O-N 3.13Å; A98-V102 WeakPolarHBondContact O-CG2 3.33Å; A98-V102 PolarHBondContact O-N 3.47Å |
| 99 | D | 82.5 | Confident | 88.6 | Confident | 48 Ų | 48 | 53.5 Ų | 53.5 | 26% | 0.257 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.4 | -39.7 | 176.2 | -73.6 | -21.3 | 0 | 0 | 0 | 111.4 | A95 V102 L103 L887 | A95-D99 PolarHBondContact O-N 3.44Å; D99-V102 PolarHBondContact O-N 3.28Å; D99-L103 WeakPolarHBondContact O-CB 3.32Å; D99-L103 PolarHBondContact O-N 3.27Å; D99-L887 WeakPolarHBondContact OD2-CD1 3.42Å |
| 100 | S | 84.4 | Confident | 88.9 | Confident | 25 Ų | 25 | 50.6 Ų | 50.6 | 18% | 0.175 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 174.8 | -59.1 | 0 | 0 | 0 | 0 | 112.8 | D96 I97 A98 L103 N104 R147 | D96-S100 WeakPolarHBondContact O-CB 3.32Å; D96-S100 PolarHBondContact O-N 2.96Å; D96-S100 PolarHBondContact O-OG 3.5Å; I97-S100 WeakPolarHBondContact O-CB 3.48Å; I97-S100 PolarHBondContact O-N 3.38Å; A98-S100 VanDerWaalsContact C-N 3.27Å; A98-S100 PolarHBondContact O-N 3.25Å; S100-L103 PolarHBondContact O-N 2.73Å; S100-N104 WeakPolarHBondContact O-CB 3.44Å; S100-N104 VanDerWaalsContact O-CG 3.29Å; S100-N104 PolarHBondContact O-N 3.37Å; S100-N104 PolarHBondContact O-ND2 3.29Å; S100-R147 VanDerWaalsContact OG-CZ 3.29Å; S100-R147 PolarHBondContact OG-NH1 3.32Å; S100-R147 PolarHBondContact OG-NH2 3.36Å |
| 101 | L | 86.6 | Confident | 89.2 | Confident | 73 Ų | 73 | 48.2 Ų | 48.2 | 38% | 0.382 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.5 | -43.5 | 177.9 | -71.9 | 172.5 | 0 | 0 | 0 | 112 | V36 L39 I97 A98 L103 N104 Q105 | V36-L101 HydrophobicContact CG1-CD1 3.88Å; L39-L101 HydrophobicContact CD1-CD1 3.91Å; L39-L101 HydrophobicContact CG-CD1 4.44Å; I97-L101 HydrophobicContact CG2-CD1 4.14Å; I97-L101 HydrophobicContact CG2-CG 4.47Å; I97-L101 WeakPolarHBondContact O-CG 3.34Å; I97-L101 PolarHBondContact O-N 2.95Å; A98-L101 PolarHBondContact O-N 3.19Å; A98-L101 VanDerWaalsContact O-N 3.13Å; L101-L103 VanDerWaalsContact C-N 3.29Å; L101-L103 PolarHBondContact O-N 3.15Å; L101-N104 PolarHBondContact O-N 3.17Å; L101-Q105 PolarHBondContact O-N 3.39Å |
| 102 | V | 87.3 | Confident | 89.6 | Confident | 24 Ų | 24 | 50.6 Ų | 50.6 | 15% | 0.145 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 174.9 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | V36 A98 D99 N104 Q105 H106 L143 | V36-V102 HydrophobicContact CG2-CG2 3.65Å; A98-V102 WeakPolarHBondContact O-CG2 3.33Å; A98-V102 PolarHBondContact O-N 3.47Å; D99-V102 PolarHBondContact O-N 3.28Å; V102-N104 PolarHBondContact O-N 2.99Å; V102-Q105 WeakPolarHBondContact O-CB 3.27Å; V102-Q105 PolarHBondContact O-N 3.18Å; V102-H106 PolarHBondContact O-CD2 3.15Å; V102-H106 PolarHBondContact O-N 3.47Å; V102-L143 HydrophobicContact CG1-CD1 3.96Å |
| 103 | L | 88.5 | Confident | 90.1 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.5 | -43.2 | 177.4 | -172.4 | 66.4 | 0 | 0 | 0 | 112.3 | D99 S100 L101 Q105 H106 F107 L140 L143 F212 | D99-L103 WeakPolarHBondContact O-CB 3.32Å; D99-L103 PolarHBondContact O-N 3.27Å; S100-L103 PolarHBondContact O-N 2.73Å; L101-L103 VanDerWaalsContact C-N 3.29Å; L101-L103 PolarHBondContact O-N 3.15Å; L103-Q105 VanDerWaalsContact C-N 3.34Å; L103-Q105 PolarHBondContact O-N 3.19Å; L103-H106 PolarHBondContact O-N 3.31Å; L103-F107 HydrophobicContact CD1-CE2 4.43Å; L103-F107 HydrophobicContact CD1-CZ 4.39Å; L103-F107 HydrophobicContact CD2-CE2 4.05Å; L103-F107 HydrophobicContact CD2-CZ 4.36Å; L103-F107 HydrophobicContact CG-CD2 4.34Å; L103-F107 HydrophobicContact CG-CE2 3.7Å; L103-F107 HydrophobicContact CG-CZ 4.09Å; L103-F107 WeakPolarHBondContact O-CD2 3.46Å; L103-F107 PolarHBondContact O-N 3.26Å; L103-L140 HydrophobicContact CD1-CD1 3.64Å; L103-L143 HydrophobicContact CD1-CB 3.86Å; L103-F212 HydrophobicContact CD2-CD2 3.44Å; L103-F212 VanDerWaalsContact CD2-CD2 3.44Å; L103-F212 HydrophobicContact CD2-CE2 3.54Å; L103-F212 HydrophobicContact CD2-CG 4.05Å; L103-F212 HydrophobicContact CD2-CZ 4.26Å |
| 104 | N | 89.5 | Confident | 90.6 | Very high | 50 Ų | 50 | 40.1 Ų | 40.1 | 27% | 0.267 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.7 | -38.6 | 176 | -76.8 | -27.6 | 0 | 0 | 0 | 112.9 | S100 L101 V102 H106 F107 E108 | S100-N104 WeakPolarHBondContact O-CB 3.44Å; S100-N104 VanDerWaalsContact O-CG 3.29Å; S100-N104 PolarHBondContact O-N 3.37Å; S100-N104 PolarHBondContact O-ND2 3.29Å; L101-N104 PolarHBondContact O-N 3.17Å; V102-N104 PolarHBondContact O-N 2.99Å; N104-H106 VanDerWaalsContact C-N 3.29Å; N104-H106 PolarHBondContact O-N 2.95Å; N104-F107 WeakPolarHBondContact O-CB 3.43Å; N104-F107 PolarHBondContact O-N 3.05Å; N104-F107 VanDerWaalsContact O-N 3.15Å; N104-E108 PolarHBondContact O-N 3.49Å |
| 105 | Q | 91.2 | Very high | 91 | Very high | 105 Ų | 105 | 43.4 Ų | 43.4 | 49% | 0.491 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.3 | -42.2 | 173.7 | -175 | -176.6 | 6 | 0 | 0 | 111.4 | L101 V102 L103 E108 V109 | L101-Q105 PolarHBondContact O-N 3.39Å; V102-Q105 WeakPolarHBondContact O-CB 3.27Å; V102-Q105 PolarHBondContact O-N 3.18Å; L103-Q105 VanDerWaalsContact C-N 3.34Å; L103-Q105 PolarHBondContact O-N 3.19Å; Q105-E108 PolarHBondContact O-N 3.44Å; Q105-V109 WeakPolarHBondContact O-CG2 3.2Å; Q105-V109 PolarHBondContact O-N 3Å; Q105-V109 VanDerWaalsContact O-N 3.1Å |
| 106 | H | 94.1 | Very high | 91.6 | Very high | 20 Ų | 20 | 45.8 Ų | 45.8 | 9% | 0.093 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.6 | -38 | 175.7 | -76.5 | -72.4 | 0 | 0 | 0 | 112.5 | V102 L103 N104 V110 H136 Q139 L140 | V102-H106 PolarHBondContact O-CD2 3.15Å; V102-H106 PolarHBondContact O-N 3.47Å; L103-H106 PolarHBondContact O-N 3.31Å; N104-H106 VanDerWaalsContact C-N 3.29Å; N104-H106 PolarHBondContact O-N 2.95Å; H106-V110 WeakPolarHBondContact O-CB 3.32Å; H106-V110 WeakPolarHBondContact O-CG2 3.5Å; H106-V110 PolarHBondContact O-N 3Å; H106-H136 AromaticContact CE1-ND1 3.29Å; H106-H136 PolarHBondContact CE1-ND1 3.14Å; H106-H136 VanDerWaalsContact CE1-ND1 3.29Å; H106-H136 AromaticContact ND1-CG 3.83Å; H106-H136 AromaticContact ND1-ND1 3.05Å; H106-H136 PolarHBondContact ND1-ND1 2.9Å; H106-Q139 WeakPolarHBondContact CE1-CG 3.32Å; H106-Q139 VanDerWaalsContact NE2-CG 3.27Å; H106-Q139 WeakPolarHBondContact NE2-CG 3.48Å; H106-L140 HydrophobicContact CB-CB 4.2Å; H106-L140 HydrophobicContact CB-CD1 4.16Å |
| 107 | F | 95.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.3 | -49.2 | 173.9 | -70.9 | -47.5 | 0 | 0 | 0 | 112.2 | L103 N104 V109 V110 L111 L140 V205 I208 Q209 F212 | L103-F107 HydrophobicContact CD1-CE2 4.43Å; L103-F107 HydrophobicContact CD1-CZ 4.39Å; L103-F107 HydrophobicContact CD2-CE2 4.05Å; L103-F107 HydrophobicContact CD2-CZ 4.36Å; L103-F107 HydrophobicContact CG-CD2 4.34Å; L103-F107 HydrophobicContact CG-CE2 3.7Å; L103-F107 HydrophobicContact CG-CZ 4.09Å; L103-F107 WeakPolarHBondContact O-CD2 3.46Å; L103-F107 PolarHBondContact O-N 3.26Å; N104-F107 WeakPolarHBondContact O-CB 3.43Å; N104-F107 PolarHBondContact O-N 3.05Å; N104-F107 VanDerWaalsContact O-N 3.15Å; F107-V109 PolarHBondContact O-N 2.78Å; F107-V110 PolarHBondContact O-N 3.26Å; F107-L111 WeakPolarHBondContact O-CB 3.5Å; F107-L111 WeakPolarHBondContact O-CG 3.31Å; F107-L111 PolarHBondContact O-N 2.94Å; F107-L140 HydrophobicContact CD1-CD1 3.57Å; F107-L140 HydrophobicContact CD1-CD2 3.79Å; F107-L140 HydrophobicContact CD1-CG 4.32Å; F107-L140 HydrophobicContact CE1-CD1 3.42Å; F107-L140 VanDerWaalsContact CE1-CD1 3.42Å; F107-L140 HydrophobicContact CE1-CD2 4.01Å; F107-L140 HydrophobicContact CE1-CG 4.24Å; F107-L140 HydrophobicContact CG-CD1 4.34Å; F107-L140 HydrophobicContact CZ-CD1 3.99Å; F107-V205 HydrophobicContact CB-CG1 4.48Å; F107-V205 HydrophobicContact CD1-CG1 3.55Å; F107-V205 HydrophobicContact CE1-CG1 4.14Å; F107-V205 HydrophobicContact CG-CG1 4.41Å; F107-I208 HydrophobicContact CE1-CB 4.04Å; F107-I208 HydrophobicContact CE1-CG2 3.87Å; F107-I208 HydrophobicContact CZ-CB 4.18Å; F107-I208 HydrophobicContact CZ-CG2 3.66Å; F107-Q209 HydrophobicContact CD1-CB 4.43Å; F107-Q209 HydrophobicContact CD2-CB 4.22Å; F107-Q209 HydrophobicContact CD2-CG 3.9Å; F107-Q209 HydrophobicContact CE1-CB 4.13Å; F107-Q209 HydrophobicContact CE2-CB 3.99Å; F107-Q209 HydrophobicContact CE2-CG 3.95Å; F107-Q209 HydrophobicContact CG-CB 4.46Å; F107-Q209 HydrophobicContact CG-CG 4.39Å; F107-Q209 HydrophobicContact CZ-CB 3.94Å; F107-Q209 HydrophobicContact CZ-CG 4.41Å; F107-F212 HydrophobicContact CE2-CD2 4.28Å; F107-F212 AromaticContact CZ-CD2 3.95Å; F107-F212 HydrophobicContact CZ-CD2 3.95Å; F107-F212 HydrophobicContact CZ-CE2 4.39Å |
| 108 | E | 95 | Very high | 92.4 | Very high | 138 Ų | 138 | 42.5 Ų | 42.5 | 65% | 0.645 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -61.2 | -46.2 | -179.2 | -70.7 | 177.9 | 176.5 | 0 | 0 | 112 | N104 Q105 V110 L111 S112 | N104-E108 PolarHBondContact O-N 3.49Å; Q105-E108 PolarHBondContact O-N 3.44Å; E108-V110 VanDerWaalsContact C-N 3.34Å; E108-V110 PolarHBondContact O-N 3.47Å; E108-L111 PolarHBondContact O-N 3.16Å; E108-S112 VanDerWaalsContact O-CB 3.3Å; E108-S112 WeakPolarHBondContact O-CB 3.3Å; E108-S112 PolarHBondContact O-N 2.67Å |
| 109 | V | 95.7 | Very high | 92.7 | Very high | 48 Ų | 48 | 46.9 Ų | 46.9 | 29% | 0.291 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 179.7 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | Q105 F107 G113 H136 | Q105-V109 WeakPolarHBondContact O-CG2 3.2Å; Q105-V109 PolarHBondContact O-N 3Å; Q105-V109 VanDerWaalsContact O-N 3.1Å; F107-V109 PolarHBondContact O-N 2.78Å; V109-G113 PolarHBondContact O-N 2.99Å; V109-H136 HydrophobicContact CG1-CB 4.08Å; V109-H136 VanDerWaalsContact CG1-CD2 3.49Å; V109-H136 WeakPolarHBondContact CG1-CD2 3.47Å |
| 110 | V | 98 | Very high | 93.2 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.8 | -45.9 | 178.8 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | H106 F107 E108 S112 G113 I114 F133 H136 V137 L140 V205 | H106-V110 WeakPolarHBondContact O-CB 3.32Å; H106-V110 WeakPolarHBondContact O-CG2 3.5Å; H106-V110 PolarHBondContact O-N 3Å; F107-V110 PolarHBondContact O-N 3.26Å; E108-V110 VanDerWaalsContact C-N 3.34Å; E108-V110 PolarHBondContact O-N 3.47Å; V110-S112 PolarHBondContact O-N 3.13Å; V110-G113 PolarHBondContact O-N 2.68Å; V110-I114 HydrophobicContact CG1-CD1 3.95Å; V110-I114 HydrophobicContact CG1-CG1 4.49Å; V110-I114 VanDerWaalsContact O-CG1 3.3Å; V110-I114 WeakPolarHBondContact O-CG1 3.4Å; V110-I114 PolarHBondContact O-N 3.29Å; V110-F133 HydrophobicContact CB-CE2 4.31Å; V110-F133 HydrophobicContact CG1-CE2 3.83Å; V110-F133 HydrophobicContact CG1-CZ 4.19Å; V110-F133 WeakPolarHBondContact O-CE2 3.43Å; V110-H136 HydrophobicContact CG2-CB 4.05Å; V110-V137 HydrophobicContact CG1-CG2 4.06Å; V110-V137 HydrophobicContact CG2-CG2 3.93Å; V110-L140 HydrophobicContact CB-CD2 4.45Å; V110-L140 HydrophobicContact CG2-CD2 4.19Å; V110-V205 HydrophobicContact CB-CG2 4.5Å; V110-V205 HydrophobicContact CG1-CG2 3.65Å |
| 111 | L | 97.5 | Very high | 93.6 | Very high | 43 Ų | 43 | 49 Ų | 49 | 23% | 0.225 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 178.5 | -71.3 | 170 | 0 | 0 | 0 | 112.5 | F107 E108 I114 T115 V205 | F107-L111 WeakPolarHBondContact O-CB 3.5Å; F107-L111 WeakPolarHBondContact O-CG 3.31Å; F107-L111 PolarHBondContact O-N 2.94Å; E108-L111 PolarHBondContact O-N 3.16Å; L111-I114 PolarHBondContact O-N 3.37Å; L111-T115 PolarHBondContact O-N 3.23Å; L111-T115 PolarHBondContact O-OG1 3.04Å; L111-T115 VanDerWaalsContact O-OG1 3.09Å; L111-V205 HydrophobicContact CD1-CG1 3.98Å; L111-V205 HydrophobicContact CD2-CB 3.97Å; L111-V205 HydrophobicContact CD2-CG1 3.8Å; L111-V205 HydrophobicContact CG-CB 4.4Å; L111-V205 HydrophobicContact CG-CG1 3.72Å |
| 112 | S | 96.9 | Very high | 94 | Very high | 60 Ų | 60 | 47.8 Ų | 47.8 | 42% | 0.42 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60 | -49 | 172.3 | -172.9 | 0 | 0 | 0 | 0 | 110.7 | E108 V110 I114 T115 E116 | E108-S112 VanDerWaalsContact O-CB 3.3Å; E108-S112 WeakPolarHBondContact O-CB 3.3Å; E108-S112 PolarHBondContact O-N 2.67Å; V110-S112 PolarHBondContact O-N 3.13Å; S112-I114 PolarHBondContact O-N 3.36Å; S112-T115 WeakPolarHBondContact O-CA 3.47Å; S112-T115 WeakPolarHBondContact O-CB 3.41Å; S112-T115 PolarHBondContact O-N 2.8Å; S112-E116 WeakPolarHBondContact O-CG 3.5Å; S112-E116 PolarHBondContact O-N 2.87Å; S112-E116 PolarHBondContact OG-OE1 2.98Å |
| 113 | G | 96.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.1 | -46.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V109 V110 T115 E116 F117 | V109-G113 PolarHBondContact O-N 2.99Å; V110-G113 PolarHBondContact O-N 2.68Å; G113-T115 VanDerWaalsContact C-N 3.26Å; G113-T115 PolarHBondContact O-N 3.38Å; G113-E116 WeakPolarHBondContact O-CB 3.47Å; G113-E116 PolarHBondContact O-N 2.97Å; G113-E116 VanDerWaalsContact O-N 3.12Å; G113-F117 WeakPolarHBondContact O-CD2 3.21Å; G113-F117 PolarHBondContact O-N 3.08Å |
| 114 | I | 97.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55.9 | -42.4 | 176.4 | -68.3 | 162.1 | 0 | 0 | 0 | 111 | V110 L111 S112 F133 L201 | V110-I114 HydrophobicContact CG1-CD1 3.95Å; V110-I114 HydrophobicContact CG1-CG1 4.49Å; V110-I114 VanDerWaalsContact O-CG1 3.3Å; V110-I114 WeakPolarHBondContact O-CG1 3.4Å; V110-I114 PolarHBondContact O-N 3.29Å; L111-I114 PolarHBondContact O-N 3.37Å; S112-I114 PolarHBondContact O-N 3.36Å; I114-F133 HydrophobicContact CG1-CE2 3.9Å; I114-F133 HydrophobicContact CG1-CZ 3.84Å; I114-L201 HydrophobicContact CD1-CB 3.67Å; I114-L201 HydrophobicContact CG1-CB 4.25Å |
| 115 | T | 95.7 | Very high | 95 | Very high | 89 Ų | 89 | 56.1 Ų | 56.1 | 55% | 0.546 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 177.5 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | L111 S112 G113 F117 Q118 | L111-T115 PolarHBondContact O-N 3.23Å; L111-T115 PolarHBondContact O-OG1 3.04Å; L111-T115 VanDerWaalsContact O-OG1 3.09Å; S112-T115 WeakPolarHBondContact O-CA 3.47Å; S112-T115 WeakPolarHBondContact O-CB 3.41Å; S112-T115 PolarHBondContact O-N 2.8Å; G113-T115 VanDerWaalsContact C-N 3.26Å; G113-T115 PolarHBondContact O-N 3.38Å; T115-F117 VanDerWaalsContact C-N 3.32Å; T115-F117 PolarHBondContact O-N 3.18Å; T115-Q118 WeakPolarHBondContact O-CB 3.49Å; T115-Q118 PolarHBondContact O-N 3.28Å; T115-Q118 VanDerWaalsContact O-N 3.11Å |
| 116 | E | 96 | Very high | 95.3 | Very high | 74 Ų | 74 | 51.1 Ų | 51.1 | 35% | 0.346 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.4 | -40.1 | 178 | -72.3 | 172.1 | -118.8 | 0 | 0 | 111.8 | S112 G113 Q118 S119 V120 L129 | S112-E116 WeakPolarHBondContact O-CG 3.5Å; S112-E116 PolarHBondContact O-N 2.87Å; S112-E116 PolarHBondContact OG-OE1 2.98Å; G113-E116 WeakPolarHBondContact O-CB 3.47Å; G113-E116 PolarHBondContact O-N 2.97Å; G113-E116 VanDerWaalsContact O-N 3.12Å; E116-Q118 PolarHBondContact O-N 2.99Å; E116-Q118 VanDerWaalsContact O-N 3.11Å; E116-S119 PolarHBondContact O-N 2.83Å; E116-S119 PolarHBondContact O-OG 2.91Å; E116-V120 PolarHBondContact O-N 3.26Å; E116-L129 HydrophobicContact CB-CD1 4.08Å; E116-L129 HydrophobicContact CB-CD2 3.8Å |
| 117 | F | 95.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.1 | -28.7 | 176.4 | -86.4 | -79.5 | 0 | 0 | 0 | 113.5 | G113 T115 S119 L126 L129 W130 F133 L174 C178 R194 | G113-F117 WeakPolarHBondContact O-CD2 3.21Å; G113-F117 PolarHBondContact O-N 3.08Å; T115-F117 VanDerWaalsContact C-N 3.32Å; T115-F117 PolarHBondContact O-N 3.18Å; F117-S119 VanDerWaalsContact C-N 3.27Å; F117-S119 PolarHBondContact O-N 2.91Å; F117-L126 HydrophobicContact CD1-CD1 3.58Å; F117-L126 HydrophobicContact CE1-CD1 3.44Å; F117-L126 VanDerWaalsContact CE1-CD1 3.44Å; F117-L129 HydrophobicContact CB-CD2 4.26Å; F117-L129 HydrophobicContact CD1-CD2 3.86Å; F117-L129 HydrophobicContact CD2-CD2 3.58Å; F117-L129 HydrophobicContact CD2-CG 4.08Å; F117-L129 HydrophobicContact CE1-CD2 4.04Å; F117-L129 HydrophobicContact CE1-CG 4.28Å; F117-L129 HydrophobicContact CE2-CD2 3.71Å; F117-L129 HydrophobicContact CE2-CG 3.69Å; F117-L129 HydrophobicContact CG-CD2 3.61Å; F117-L129 HydrophobicContact CG-CG 4.47Å; F117-L129 HydrophobicContact CZ-CB 4.45Å; F117-L129 HydrophobicContact CZ-CD2 3.95Å; F117-L129 HydrophobicContact CZ-CG 3.8Å; F117-W130 HydrophobicContact CZ-CB 4.42Å; F117-W130 HydrophobicContact CZ-CE3 4.21Å; F117-F133 HydrophobicContact CE2-CB 3.89Å; F117-F133 AromaticContact CE2-CD1 3.51Å; F117-F133 HydrophobicContact CE2-CD1 3.51Å; F117-F133 HydrophobicContact CE2-CD2 4.07Å; F117-F133 AromaticContact CE2-CE1 3.95Å; F117-F133 HydrophobicContact CE2-CE1 3.95Å; F117-F133 HydrophobicContact CE2-CE2 4.46Å; F117-F133 AromaticContact CE2-CG 3.56Å; F117-F133 HydrophobicContact CE2-CG 3.56Å; F117-F133 HydrophobicContact CE2-CZ 4.41Å; F117-F133 HydrophobicContact CZ-CB 4.3Å; F117-F133 AromaticContact CZ-CD1 3.98Å; F117-F133 HydrophobicContact CZ-CD1 3.98Å; F117-F133 HydrophobicContact CZ-CG 4.26Å; F117-L174 HydrophobicContact CB-CD1 4.14Å; F117-L174 HydrophobicContact CB-CD2 3.89Å; F117-L174 HydrophobicContact CB-CG 4.06Å; F117-L174 HydrophobicContact CD1-CD2 4.3Å; F117-L174 HydrophobicContact CD1-CG 4.15Å; F117-L174 HydrophobicContact CD2-CD2 3.51Å; F117-L174 HydrophobicContact CD2-CG 4.24Å; F117-L174 HydrophobicContact CE2-CD2 4.13Å; F117-L174 HydrophobicContact CG-CD2 3.66Å; F117-L174 HydrophobicContact CG-CG 3.91Å; F117-C178 PolarHBondContact O-SG 3.31Å; F117-R194 PolarHBondContact O-NH1 2.82Å |
| 118 | Q | 91.3 | Very high | 95.4 | Very high | 85 Ų | 85 | 59.2 Ų | 59.2 | 40% | 0.397 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.2 | -27.2 | 178.2 | -57.2 | -175.6 | 7.2 | 0 | 0 | 112.4 | T115 E116 R194 | T115-Q118 WeakPolarHBondContact O-CB 3.49Å; T115-Q118 PolarHBondContact O-N 3.28Å; T115-Q118 VanDerWaalsContact O-N 3.11Å; E116-Q118 PolarHBondContact O-N 2.99Å; E116-Q118 VanDerWaalsContact O-N 3.11Å; Q118-R194 VanDerWaalsContact O-CZ 3.24Å; Q118-R194 PolarHBondContact O-NH1 2.66Å; Q118-R194 PolarHBondContact O-NH2 2.85Å; Q118-R194 VanDerWaalsContact O-NH2 3.13Å |
| 119 | S | 90.3 | Very high | 95.5 | Very high | 92 Ų | 92 | 53 Ų | 53 | 64% | 0.643 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -101.6 | -1.4 | -175.6 | 70.2 | 0 | 0 | 0 | 0 | 114.6 | E116 F117 S121 | E116-S119 PolarHBondContact O-N 2.83Å; E116-S119 PolarHBondContact O-OG 2.91Å; F117-S119 VanDerWaalsContact C-N 3.27Å; F117-S119 PolarHBondContact O-N 2.91Å; S119-S121 PolarHBondContact O-N 3.5Å |
| 120 | V | 94.2 | Very high | 95.5 | Very high | 14 Ų | 14 | 52.8 Ų | 52.8 | 9% | 0.085 | 29% | 0.292 | C | S | . | . | trans | -57.4 | 129.5 | -179.5 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | E116 S122 L126 L129 L182 | E116-V120 PolarHBondContact O-N 3.26Å; V120-S122 WeakPolarHBondContact CG1-O 3.41Å; V120-L126 HydrophobicContact CG1-CB 3.78Å; V120-L126 HydrophobicContact CG1-CD1 4.22Å; V120-L126 HydrophobicContact CG2-CD1 4.47Å; V120-L129 HydrophobicContact CG2-CD2 3.77Å; V120-L182 HydrophobicContact CG1-CD1 4.2Å; V120-L182 HydrophobicContact CG1-CD2 4.41Å | ||
| 121 | S | 92.7 | Very high | 95.4 | Very high | 103 Ų | 103 | 58.1 Ų | 58.1 | 72% | 0.72 | 32% | 0.321 | S | S | * | . | trans | -115.2 | -9 | -174.1 | 58.9 | 0 | 0 | 0 | 0 | 114.7 | S119 L182 | S119-S121 PolarHBondContact O-N 3.5Å; S121-L182 VanDerWaalsContact C-CD2 3.43Å | ||
| 122 | S | 95.1 | Very high | 95.3 | Very high | 48 Ų | 48 | 59.4 Ų | 59.4 | 34% | 0.336 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -146.4 | 157.5 | 178.7 | 75.8 | 0 | 0 | 0 | 0 | 112.9 | V120 T124 E125 L126 | V120-S122 WeakPolarHBondContact CG1-O 3.41Å; S122-T124 VanDerWaalsContact C-N 3.35Å; S122-T124 PolarHBondContact O-N 3.45Å; S122-E125 PolarHBondContact O-N 2.92Å; S122-E125 VanDerWaalsContact OG-CB 3.28Å; S122-E125 WeakPolarHBondContact OG-CB 3.35Å; S122-E125 PolarHBondContact OG-N 3.1Å; S122-L126 PolarHBondContact O-N 3.18Å |
| 123 | Q | 94.8 | Very high | 95.3 | Very high | 74 Ų | 74 | 56.8 Ų | 56.8 | 35% | 0.346 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.8 | -35.8 | 178.8 | -173.9 | 61.4 | 53.8 | 0 | 0 | 112.5 | E125 L126 N127 | Q123-E125 VanDerWaalsContact C-N 3.33Å; Q123-L126 WeakPolarHBondContact O-CB 3.42Å; Q123-L126 PolarHBondContact O-N 3.49Å; Q123-N127 PolarHBondContact NE2-OD1 3.27Å; Q123-N127 VanDerWaalsContact O-CG 3.24Å; Q123-N127 PolarHBondContact O-N 3.48Å; Q123-N127 PolarHBondContact O-ND2 3.45Å |
| 124 | T | 95.1 | Very high | 95.3 | Very high | 116 Ų | 116 | 60.3 Ų | 60.3 | 71% | 0.712 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.3 | -43.5 | 176.5 | -48.9 | 0 | 0 | 0 | 0 | 110.6 | S122 N127 R128 | S122-T124 VanDerWaalsContact C-N 3.35Å; S122-T124 PolarHBondContact O-N 3.45Å; T124-N127 PolarHBondContact O-N 3.44Å; T124-R128 WeakPolarHBondContact O-CB 3.41Å; T124-R128 PolarHBondContact O-N 3.02Å |
| 125 | E | 95.9 | Very high | 95.3 | Very high | 62 Ų | 62 | 63.7 Ų | 63.7 | 29% | 0.29 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 176.7 | -178.1 | 61.2 | -178.9 | 0 | 0 | 111.8 | S122 Q123 N127 R128 L129 | S122-E125 PolarHBondContact O-N 2.92Å; S122-E125 VanDerWaalsContact OG-CB 3.28Å; S122-E125 WeakPolarHBondContact OG-CB 3.35Å; S122-E125 PolarHBondContact OG-N 3.1Å; Q123-E125 VanDerWaalsContact C-N 3.33Å; E125-N127 VanDerWaalsContact C-N 3.33Å; E125-N127 PolarHBondContact O-N 3.33Å; E125-R128 VanDerWaalsContact CD-NH2 3.33Å; E125-R128 PolarHBondContact O-N 3.48Å; E125-R128 IonicContact OE1-CZ 2.89Å; E125-R128 IonicContact OE1-NE 2.68Å; E125-R128 IonicContact OE1-NH2 3.3Å; E125-R128 PolarHBondContact OE1-NH2 3.02Å; E125-R128 IonicContact OE2-CZ 3.78Å; E125-R128 IonicContact OE2-NE 3.25Å; E125-R128 PolarHBondContact OE2-NE 3.31Å; E125-R128 IonicContact OE2-NH2 3.22Å; E125-R128 PolarHBondContact OE2-NH2 3.19Å; E125-L129 WeakPolarHBondContact O-CB 3.49Å; E125-L129 PolarHBondContact O-N 3.04Å |
| 126 | L | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.5 | -47 | 175.1 | -174.7 | 55.6 | 0 | 0 | 0 | 112.2 | F117 V120 S122 Q123 L129 W130 C178 K179 L182 | F117-L126 HydrophobicContact CD1-CD1 3.58Å; F117-L126 HydrophobicContact CE1-CD1 3.44Å; F117-L126 VanDerWaalsContact CE1-CD1 3.44Å; V120-L126 HydrophobicContact CG1-CB 3.78Å; V120-L126 HydrophobicContact CG1-CD1 4.22Å; V120-L126 HydrophobicContact CG2-CD1 4.47Å; S122-L126 PolarHBondContact O-N 3.18Å; Q123-L126 WeakPolarHBondContact O-CB 3.42Å; Q123-L126 PolarHBondContact O-N 3.49Å; L126-L129 PolarHBondContact O-N 3.04Å; L126-W130 VanDerWaalsContact O-CB 3.29Å; L126-W130 WeakPolarHBondContact O-CB 3.29Å; L126-W130 PolarHBondContact O-N 2.88Å; L126-C178 HydrophobicContact CD1-CB 3.64Å; L126-C178 HydrophobicContact CD2-CB 3.88Å; L126-C178 HydrophobicContact CG-CB 4.46Å; L126-K179 HydrophobicContact CD2-CB 4.35Å; L126-K179 HydrophobicContact CD2-CG 3.5Å; L126-K179 VanDerWaalsContact CD2-CG 3.5Å; L126-L182 HydrophobicContact CB-CD1 4.26Å; L126-L182 HydrophobicContact CD2-CD1 3.93Å |
| 127 | N | 95.7 | Very high | 95.4 | Very high | 65 Ų | 65 | 58.2 Ų | 58.2 | 35% | 0.348 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.1 | -39.8 | -179.3 | -67.5 | -15.6 | 0 | 0 | 0 | 111.5 | Q123 T124 E125 W130 N131 | Q123-N127 PolarHBondContact NE2-OD1 3.27Å; Q123-N127 VanDerWaalsContact O-CG 3.24Å; Q123-N127 PolarHBondContact O-N 3.48Å; Q123-N127 PolarHBondContact O-ND2 3.45Å; T124-N127 PolarHBondContact O-N 3.44Å; E125-N127 VanDerWaalsContact C-N 3.33Å; E125-N127 PolarHBondContact O-N 3.33Å; N127-W130 PolarHBondContact O-N 3.44Å; N127-N131 WeakPolarHBondContact O-CB 3.48Å; N127-N131 PolarHBondContact O-N 3.15Å; N127-N131 PolarHBondContact O-ND2 3.2Å |
| 128 | R | 96.1 | Very high | 95.5 | Very high | 127 Ų | 127 | 61.6 Ų | 61.6 | 48% | 0.479 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 176.5 | -171.6 | -168.1 | 69 | 74.5 | -0.9 | 111.3 | T124 E125 N131 T132 | T124-R128 WeakPolarHBondContact O-CB 3.41Å; T124-R128 PolarHBondContact O-N 3.02Å; E125-R128 VanDerWaalsContact CD-NH2 3.33Å; E125-R128 PolarHBondContact O-N 3.48Å; E125-R128 IonicContact OE1-CZ 2.89Å; E125-R128 IonicContact OE1-NE 2.68Å; E125-R128 IonicContact OE1-NH2 3.3Å; E125-R128 PolarHBondContact OE1-NH2 3.02Å; E125-R128 IonicContact OE2-CZ 3.78Å; E125-R128 IonicContact OE2-NE 3.25Å; E125-R128 PolarHBondContact OE2-NE 3.31Å; E125-R128 IonicContact OE2-NH2 3.22Å; E125-R128 PolarHBondContact OE2-NH2 3.19Å; R128-N131 PolarHBondContact O-N 2.8Å; R128-T132 PolarHBondContact O-N 3.14Å; R128-T132 PolarHBondContact O-OG1 3.41Å |
| 129 | L | 96.5 | Very high | 95.6 | Very high | 7 Ų | 7 | 60.4 Ų | 60.4 | 4% | 0.037 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 176.9 | -178.9 | 60.7 | 0 | 0 | 0 | 110.6 | E116 F117 V120 E125 L126 N131 T132 F133 | E116-L129 HydrophobicContact CB-CD1 4.08Å; E116-L129 HydrophobicContact CB-CD2 3.8Å; F117-L129 HydrophobicContact CB-CD2 4.26Å; F117-L129 HydrophobicContact CD1-CD2 3.86Å; F117-L129 HydrophobicContact CD2-CD2 3.58Å; F117-L129 HydrophobicContact CD2-CG 4.08Å; F117-L129 HydrophobicContact CE1-CD2 4.04Å; F117-L129 HydrophobicContact CE1-CG 4.28Å; F117-L129 HydrophobicContact CE2-CD2 3.71Å; F117-L129 HydrophobicContact CE2-CG 3.69Å; F117-L129 HydrophobicContact CG-CD2 3.61Å; F117-L129 HydrophobicContact CG-CG 4.47Å; F117-L129 HydrophobicContact CZ-CB 4.45Å; F117-L129 HydrophobicContact CZ-CD2 3.95Å; F117-L129 HydrophobicContact CZ-CG 3.8Å; V120-L129 HydrophobicContact CG2-CD2 3.77Å; E125-L129 WeakPolarHBondContact O-CB 3.49Å; E125-L129 PolarHBondContact O-N 3.04Å; L126-L129 PolarHBondContact O-N 3.04Å; L129-N131 PolarHBondContact O-N 3.41Å; L129-T132 PolarHBondContact O-N 3.09Å; L129-F133 WeakPolarHBondContact O-CB 3.4Å; L129-F133 PolarHBondContact O-N 3.12Å |
| 130 | W | 97.2 | Very high | 95.8 | Very high | 43 Ų | 43 | 56 Ų | 56 | 16% | 0.163 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.3 | -48.9 | 176.9 | 175.1 | -99.8 | 0 | 0 | 0 | 113.3 | F117 L126 N127 T132 F133 Y134 T171 H175 | F117-W130 HydrophobicContact CZ-CB 4.42Å; F117-W130 HydrophobicContact CZ-CE3 4.21Å; L126-W130 VanDerWaalsContact O-CB 3.29Å; L126-W130 WeakPolarHBondContact O-CB 3.29Å; L126-W130 PolarHBondContact O-N 2.88Å; N127-W130 PolarHBondContact O-N 3.44Å; W130-T132 PolarHBondContact O-N 3.36Å; W130-F133 PolarHBondContact O-N 3.47Å; W130-Y134 AromaticContact CH2-CD2 3.51Å; W130-Y134 HydrophobicContact CH2-CD2 3.51Å; W130-Y134 HydrophobicContact CH2-CE2 4Å; W130-Y134 AromaticContact CH2-CG 3.96Å; W130-Y134 HydrophobicContact CH2-CG 3.96Å; W130-Y134 HydrophobicContact CZ2-CD1 4.15Å; W130-Y134 AromaticContact CZ2-CD2 3.65Å; W130-Y134 HydrophobicContact CZ2-CD2 3.65Å; W130-Y134 HydrophobicContact CZ2-CE2 4.12Å; W130-Y134 AromaticContact CZ2-CG 3.65Å; W130-Y134 HydrophobicContact CZ2-CG 3.65Å; W130-Y134 HydrophobicContact CZ3-CD2 4.17Å; W130-Y134 WeakPolarHBondContact O-CB 3.23Å; W130-Y134 PolarHBondContact O-N 3.29Å; W130-T171 HydrophobicContact CH2-CG2 3.83Å; W130-T171 HydrophobicContact CZ3-CG2 3.67Å; W130-H175 HydrophobicContact CD2-CB 4.17Å; W130-H175 AromaticContact CD2-CG 3.94Å; W130-H175 HydrophobicContact CE3-CB 3.51Å; W130-H175 AromaticContact CE3-CG 3.79Å; W130-H175 HydrophobicContact CH2-CB 4.25Å; W130-H175 HydrophobicContact CZ3-CB 3.54Å |
| 131 | N | 96.2 | Very high | 95.8 | Very high | 113 Ų | 113 | 55.6 Ų | 55.6 | 60% | 0.604 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.7 | -23.6 | -178.6 | -71.1 | -19.2 | 0 | 0 | 0 | 113 | N127 R128 L129 P135 | N127-N131 WeakPolarHBondContact O-CB 3.48Å; N127-N131 PolarHBondContact O-N 3.15Å; N127-N131 PolarHBondContact O-ND2 3.2Å; R128-N131 PolarHBondContact O-N 2.8Å; L129-N131 PolarHBondContact O-N 3.41Å; N131-P135 WeakPolarHBondContact O-CD 3.43Å; N131-P135 WeakPolarHBondContact O-CG 3.42Å |
| 132 | T | 94.2 | Very high | 95.8 | Very high | 71 Ų | 71 | 53 Ų | 53 | 44% | 0.436 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -87.6 | -48.8 | 174.4 | -47.8 | 0 | 0 | 0 | 0 | 110.3 | R128 L129 W130 P135 H136 | R128-T132 PolarHBondContact O-N 3.14Å; R128-T132 PolarHBondContact O-OG1 3.41Å; L129-T132 PolarHBondContact O-N 3.09Å; W130-T132 PolarHBondContact O-N 3.36Å; T132-P135 WeakPolarHBondContact O-CD 3.35Å; T132-H136 PolarHBondContact O-CD2 2.86Å |
| 133 | F | 97.1 | Very high | 95.5 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.4 | -48.8 | -173.9 | 174.4 | -104.3 | 0 | 0 | 0 | 114.1 | V110 I114 F117 L129 W130 H136 V137 T171 | V110-F133 HydrophobicContact CB-CE2 4.31Å; V110-F133 HydrophobicContact CG1-CE2 3.83Å; V110-F133 HydrophobicContact CG1-CZ 4.19Å; V110-F133 WeakPolarHBondContact O-CE2 3.43Å; I114-F133 HydrophobicContact CG1-CE2 3.9Å; I114-F133 HydrophobicContact CG1-CZ 3.84Å; F117-F133 HydrophobicContact CE2-CB 3.89Å; F117-F133 AromaticContact CE2-CD1 3.51Å; F117-F133 HydrophobicContact CE2-CD1 3.51Å; F117-F133 HydrophobicContact CE2-CD2 4.07Å; F117-F133 AromaticContact CE2-CE1 3.95Å; F117-F133 HydrophobicContact CE2-CE1 3.95Å; F117-F133 HydrophobicContact CE2-CE2 4.46Å; F117-F133 AromaticContact CE2-CG 3.56Å; F117-F133 HydrophobicContact CE2-CG 3.56Å; F117-F133 HydrophobicContact CE2-CZ 4.41Å; F117-F133 HydrophobicContact CZ-CB 4.3Å; F117-F133 AromaticContact CZ-CD1 3.98Å; F117-F133 HydrophobicContact CZ-CD1 3.98Å; F117-F133 HydrophobicContact CZ-CG 4.26Å; L129-F133 WeakPolarHBondContact O-CB 3.4Å; L129-F133 PolarHBondContact O-N 3.12Å; W130-F133 PolarHBondContact O-N 3.47Å; F133-H136 WeakPolarHBondContact O-CB 3.42Å; F133-H136 PolarHBondContact O-N 2.86Å; F133-V137 HydrophobicContact CD1-CG2 4.07Å; F133-V137 HydrophobicContact CD2-CG2 4.39Å; F133-V137 HydrophobicContact CE1-CG2 3.6Å; F133-V137 HydrophobicContact CE2-CG2 3.95Å; F133-V137 HydrophobicContact CG-CG2 4.45Å; F133-V137 HydrophobicContact CZ-CG2 3.54Å; F133-V137 PolarHBondContact O-N 3.34Å; F133-V137 VanDerWaalsContact O-N 3.16Å; F133-T171 HydrophobicContact CD1-CG2 4.41Å; F133-T171 HydrophobicContact CE1-CG2 3.82Å |
| 134 | Y | 97.5 | Very high | 95.3 | Very high | 78 Ų | 78 | 49.1 Ų | 49.1 | 31% | 0.306 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | -170.2 | -178.8 | -112.7 | 0 | 0 | 0 | 113.6 | W130 H136 V137 L138 T171 | W130-Y134 AromaticContact CH2-CD2 3.51Å; W130-Y134 HydrophobicContact CH2-CD2 3.51Å; W130-Y134 HydrophobicContact CH2-CE2 4Å; W130-Y134 AromaticContact CH2-CG 3.96Å; W130-Y134 HydrophobicContact CH2-CG 3.96Å; W130-Y134 HydrophobicContact CZ2-CD1 4.15Å; W130-Y134 AromaticContact CZ2-CD2 3.65Å; W130-Y134 HydrophobicContact CZ2-CD2 3.65Å; W130-Y134 HydrophobicContact CZ2-CE2 4.12Å; W130-Y134 AromaticContact CZ2-CG 3.65Å; W130-Y134 HydrophobicContact CZ2-CG 3.65Å; W130-Y134 HydrophobicContact CZ3-CD2 4.17Å; W130-Y134 WeakPolarHBondContact O-CB 3.23Å; W130-Y134 PolarHBondContact O-N 3.29Å; Y134-H136 VanDerWaalsContact C-N 3.3Å; Y134-H136 PolarHBondContact O-N 3.12Å; Y134-V137 PolarHBondContact O-N 3.39Å; Y134-L138 HydrophobicContact CD1-CD1 4.18Å; Y134-L138 HydrophobicContact CE1-CD1 3.64Å; Y134-L138 HydrophobicContact CE1-CG 4.2Å; Y134-L138 HydrophobicContact CE2-CD2 4.29Å; Y134-L138 HydrophobicContact CE2-CG 4.34Å; Y134-L138 PolarHBondContact O-N 2.97Å; Y134-L138 VanDerWaalsContact O-N 3.12Å; Y134-T171 HydrophobicContact CD2-CG2 3.64Å; Y134-T171 HydrophobicContact CE2-CG2 4.08Å |
| 135 | P | 96.9 | Very high | 95 | Very high | 71 Ų | 71 | 47.9 Ų | 47.9 | 46% | 0.461 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57 | -38.2 | 172 | -27.2 | 35.7 | 0 | 0 | 0 | 114.1 | N131 T132 L138 Q139 | N131-P135 WeakPolarHBondContact O-CD 3.43Å; N131-P135 WeakPolarHBondContact O-CG 3.42Å; T132-P135 WeakPolarHBondContact O-CD 3.35Å; P135-L138 PolarHBondContact O-N 3.47Å; P135-Q139 WeakPolarHBondContact O-CB 3.2Å; P135-Q139 PolarHBondContact O-N 3.46Å |
| 136 | H | 96.5 | Very high | 94.4 | Very high | 48 Ų | 48 | 49 Ų | 49 | 22% | 0.222 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.8 | -36.4 | 177.4 | -77.1 | -80.7 | 0 | 0 | 0 | 112.1 | H106 V109 V110 T132 F133 Y134 Q139 L140 | H106-H136 AromaticContact CE1-ND1 3.29Å; H106-H136 PolarHBondContact CE1-ND1 3.14Å; H106-H136 VanDerWaalsContact CE1-ND1 3.29Å; H106-H136 AromaticContact ND1-CG 3.83Å; H106-H136 AromaticContact ND1-ND1 3.05Å; H106-H136 PolarHBondContact ND1-ND1 2.9Å; V109-H136 HydrophobicContact CG1-CB 4.08Å; V109-H136 VanDerWaalsContact CG1-CD2 3.49Å; V109-H136 WeakPolarHBondContact CG1-CD2 3.47Å; V110-H136 HydrophobicContact CG2-CB 4.05Å; T132-H136 PolarHBondContact O-CD2 2.86Å; F133-H136 WeakPolarHBondContact O-CB 3.42Å; F133-H136 PolarHBondContact O-N 2.86Å; Y134-H136 VanDerWaalsContact C-N 3.3Å; Y134-H136 PolarHBondContact O-N 3.12Å; H136-Q139 PolarHBondContact O-N 2.85Å; H136-L140 VanDerWaalsContact O-CB 3.29Å; H136-L140 WeakPolarHBondContact O-CB 3.29Å; H136-L140 PolarHBondContact O-N 3.26Å |
| 137 | V | 97.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63 | -47.3 | 173.8 | 176 | 0 | 0 | 0 | 0 | 111.1 | V110 F133 Y134 Q139 L140 I141 L167 T171 | V110-V137 HydrophobicContact CG1-CG2 4.06Å; V110-V137 HydrophobicContact CG2-CG2 3.93Å; F133-V137 HydrophobicContact CD1-CG2 4.07Å; F133-V137 HydrophobicContact CD2-CG2 4.39Å; F133-V137 HydrophobicContact CE1-CG2 3.6Å; F133-V137 HydrophobicContact CE2-CG2 3.95Å; F133-V137 HydrophobicContact CG-CG2 4.45Å; F133-V137 HydrophobicContact CZ-CG2 3.54Å; F133-V137 PolarHBondContact O-N 3.34Å; F133-V137 VanDerWaalsContact O-N 3.16Å; Y134-V137 PolarHBondContact O-N 3.39Å; V137-Q139 VanDerWaalsContact C-N 3.32Å; V137-Q139 PolarHBondContact O-N 3.26Å; V137-L140 WeakPolarHBondContact O-CB 3.32Å; V137-L140 PolarHBondContact O-N 3.37Å; V137-I141 HydrophobicContact CG1-CD1 3.86Å; V137-I141 VanDerWaalsContact O-CG1 3.32Å; V137-I141 WeakPolarHBondContact O-CG1 3.49Å; V137-I141 PolarHBondContact O-N 3.39Å; V137-L167 HydrophobicContact CG1-CB 4.3Å; V137-T171 HydrophobicContact CG2-CG2 4.46Å |
| 138 | L | 96.9 | Very high | 93.2 | Very high | 72 Ų | 72 | 48.6 Ų | 48.6 | 38% | 0.377 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.9 | -41.7 | 178.6 | -66.9 | -178 | 0 | 0 | 0 | 111.9 | Y134 P135 I141 S142 | Y134-L138 HydrophobicContact CD1-CD1 4.18Å; Y134-L138 HydrophobicContact CE1-CD1 3.64Å; Y134-L138 HydrophobicContact CE1-CG 4.2Å; Y134-L138 HydrophobicContact CE2-CD2 4.29Å; Y134-L138 HydrophobicContact CE2-CG 4.34Å; Y134-L138 PolarHBondContact O-N 2.97Å; Y134-L138 VanDerWaalsContact O-N 3.12Å; P135-L138 PolarHBondContact O-N 3.47Å; L138-I141 PolarHBondContact O-N 3.03Å; L138-S142 WeakPolarHBondContact O-CB 3.34Å; L138-S142 PolarHBondContact O-N 2.96Å |
| 139 | Q | 93.6 | Very high | 92.4 | Very high | 59 Ų | 59 | 44.9 Ų | 44.9 | 28% | 0.276 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.9 | -40 | 177.3 | -172.7 | 60.4 | 15 | 0 | 0 | 111.6 | H106 P135 H136 V137 I141 S142 L143 | H106-Q139 WeakPolarHBondContact CE1-CG 3.32Å; H106-Q139 VanDerWaalsContact NE2-CG 3.27Å; H106-Q139 WeakPolarHBondContact NE2-CG 3.48Å; P135-Q139 WeakPolarHBondContact O-CB 3.2Å; P135-Q139 PolarHBondContact O-N 3.46Å; H136-Q139 PolarHBondContact O-N 2.85Å; V137-Q139 VanDerWaalsContact C-N 3.32Å; V137-Q139 PolarHBondContact O-N 3.26Å; Q139-I141 PolarHBondContact O-N 3.13Å; Q139-S142 PolarHBondContact O-N 2.81Å; Q139-L143 HydrophobicContact CG-CD1 3.99Å; Q139-L143 HydrophobicContact CG-CG 4.34Å; Q139-L143 WeakPolarHBondContact O-CB 3.36Å; Q139-L143 VanDerWaalsContact O-CG 3.31Å; Q139-L143 WeakPolarHBondContact O-CG 3.36Å; Q139-L143 PolarHBondContact O-N 2.71Å |
| 140 | L | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.8 | -47.2 | 174.2 | 178.6 | 58.4 | 0 | 0 | 0 | 111.4 | L103 H106 F107 V110 H136 V137 S142 L143 S144 L167 V205 | L103-L140 HydrophobicContact CD1-CD1 3.64Å; H106-L140 HydrophobicContact CB-CB 4.2Å; H106-L140 HydrophobicContact CB-CD1 4.16Å; F107-L140 HydrophobicContact CD1-CD1 3.57Å; F107-L140 HydrophobicContact CD1-CD2 3.79Å; F107-L140 HydrophobicContact CD1-CG 4.32Å; F107-L140 HydrophobicContact CE1-CD1 3.42Å; F107-L140 VanDerWaalsContact CE1-CD1 3.42Å; F107-L140 HydrophobicContact CE1-CD2 4.01Å; F107-L140 HydrophobicContact CE1-CG 4.24Å; F107-L140 HydrophobicContact CG-CD1 4.34Å; F107-L140 HydrophobicContact CZ-CD1 3.99Å; V110-L140 HydrophobicContact CB-CD2 4.45Å; V110-L140 HydrophobicContact CG2-CD2 4.19Å; H136-L140 VanDerWaalsContact O-CB 3.29Å; H136-L140 WeakPolarHBondContact O-CB 3.29Å; H136-L140 PolarHBondContact O-N 3.26Å; V137-L140 WeakPolarHBondContact O-CB 3.32Å; V137-L140 PolarHBondContact O-N 3.37Å; L140-S142 VanDerWaalsContact C-N 3.34Å; L140-S142 PolarHBondContact O-N 3.39Å; L140-L143 PolarHBondContact O-N 3.43Å; L140-S144 VanDerWaalsContact O-CB 3.23Å; L140-S144 WeakPolarHBondContact O-CB 3.27Å; L140-S144 PolarHBondContact O-N 3.03Å; L140-S144 PolarHBondContact O-OG 3.31Å; L140-S144 VanDerWaalsContact O-OG 3.12Å; L140-L167 HydrophobicContact CD2-CD1 4.21Å; L140-V205 HydrophobicContact CD2-CG2 4.15Å |
| 141 | I | 94.8 | Very high | 90.5 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.8 | -42.2 | 177 | -67.9 | 163.1 | 0 | 0 | 0 | 111.5 | V137 L138 Q139 S144 K145 L167 R168 | V137-I141 HydrophobicContact CG1-CD1 3.86Å; V137-I141 VanDerWaalsContact O-CG1 3.32Å; V137-I141 WeakPolarHBondContact O-CG1 3.49Å; V137-I141 PolarHBondContact O-N 3.39Å; L138-I141 PolarHBondContact O-N 3.03Å; Q139-I141 PolarHBondContact O-N 3.13Å; I141-S144 WeakPolarHBondContact CA-OG 3.44Å; I141-S144 PolarHBondContact O-OG 2.61Å; I141-S144 VanDerWaalsContact O-OG 3.05Å; I141-K145 HydrophobicContact CG2-CD 4.32Å; I141-K145 WeakPolarHBondContact O-CB 2.98Å; I141-K145 WeakPolarHBondContact O-CG 3.39Å; I141-K145 PolarHBondContact O-N 3.06Å; I141-L167 HydrophobicContact CD1-CB 3.82Å; I141-L167 HydrophobicContact CG1-CB 3.97Å; I141-L167 HydrophobicContact CG1-CD1 4.22Å; I141-R168 HydrophobicContact CD1-CB 4.03Å; I141-R168 VanDerWaalsContact CG2-NH2 3.31Å |
| 142 | S | 92 | Very high | 89.4 | Confident | 47 Ų | 47 | 45.2 Ų | 45.2 | 33% | 0.329 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.7 | -47.7 | 179.8 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | L138 Q139 L140 K146 | L138-S142 WeakPolarHBondContact O-CB 3.34Å; L138-S142 PolarHBondContact O-N 2.96Å; Q139-S142 PolarHBondContact O-N 2.81Å; L140-S142 VanDerWaalsContact C-N 3.34Å; L140-S142 PolarHBondContact O-N 3.39Å; S142-K146 WeakPolarHBondContact O-CG 3.45Å; S142-K146 PolarHBondContact O-N 3.3Å; S142-K146 VanDerWaalsContact O-N 3.14Å |
| 143 | L | 89 | Confident | 88.6 | Confident | 42 Ų | 42 | 44.1 Ų | 44.1 | 22% | 0.22 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.2 | -41.5 | 179.4 | -67.8 | 175.3 | 0 | 0 | 0 | 111.9 | V102 L103 Q139 L140 K146 R147 | V102-L143 HydrophobicContact CG1-CD1 3.96Å; L103-L143 HydrophobicContact CD1-CB 3.86Å; Q139-L143 HydrophobicContact CG-CD1 3.99Å; Q139-L143 HydrophobicContact CG-CG 4.34Å; Q139-L143 WeakPolarHBondContact O-CB 3.36Å; Q139-L143 VanDerWaalsContact O-CG 3.31Å; Q139-L143 WeakPolarHBondContact O-CG 3.36Å; Q139-L143 PolarHBondContact O-N 2.71Å; L140-L143 PolarHBondContact O-N 3.43Å; L143-K146 PolarHBondContact O-N 3.31Å; L143-R147 WeakPolarHBondContact O-CB 3.44Å; L143-R147 PolarHBondContact O-N 3.24Å |
| 144 | S | 90.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.5 | -44 | 178.6 | 70.2 | 0 | 0 | 0 | 0 | 111.6 | L140 I141 R147 A148 S164 | L140-S144 VanDerWaalsContact O-CB 3.23Å; L140-S144 WeakPolarHBondContact O-CB 3.27Å; L140-S144 PolarHBondContact O-N 3.03Å; L140-S144 PolarHBondContact O-OG 3.31Å; L140-S144 VanDerWaalsContact O-OG 3.12Å; I141-S144 WeakPolarHBondContact CA-OG 3.44Å; I141-S144 PolarHBondContact O-OG 2.61Å; I141-S144 VanDerWaalsContact O-OG 3.05Å; S144-R147 PolarHBondContact O-N 3.1Å; S144-A148 VanDerWaalsContact O-CB 3.29Å; S144-A148 WeakPolarHBondContact O-CB 3.49Å; S144-A148 PolarHBondContact O-N 2.91Å; S144-S164 PolarHBondContact OG-OG 3.48Å |
| 145 | K | 88.6 | Confident | 86.8 | Confident | 89 Ų | 89 | 48.8 Ų | 48.8 | 39% | 0.387 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 176.1 | -79.6 | -172.5 | 166.8 | -159.3 | 0 | 112.7 | I141 A148 S149 | I141-K145 HydrophobicContact CG2-CD 4.32Å; I141-K145 WeakPolarHBondContact O-CB 2.98Å; I141-K145 WeakPolarHBondContact O-CG 3.39Å; I141-K145 PolarHBondContact O-N 3.06Å; K145-A148 PolarHBondContact O-N 2.8Å; K145-S149 PolarHBondContact O-N 3.17Å |
| 146 | K | 83.3 | Confident | 86.3 | Confident | 87 Ų | 87 | 46.3 Ų | 46.3 | 38% | 0.378 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62 | -49.7 | 176.1 | -73.9 | 176.6 | -178.2 | -176 | 0 | 111 | S142 L143 A148 S149 L887 | S142-K146 WeakPolarHBondContact O-CG 3.45Å; S142-K146 PolarHBondContact O-N 3.3Å; S142-K146 VanDerWaalsContact O-N 3.14Å; L143-K146 PolarHBondContact O-N 3.31Å; K146-A148 VanDerWaalsContact C-N 3.31Å; K146-A148 PolarHBondContact O-N 3.45Å; K146-S149 WeakPolarHBondContact O-CB 3.48Å; K146-S149 PolarHBondContact O-N 3.01Å; K146-S149 PolarHBondContact O-OG 2.83Å; K146-L887 HydrophobicContact CB-CD2 4.01Å |
| 147 | R | 82.4 | Confident | 85.8 | Confident | 46 Ų | 46 | 47 Ų | 47 | 17% | 0.174 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.5 | -31.8 | 179.1 | -164.3 | 172.6 | -169.3 | 175.7 | 9.6 | 112.9 | D96 S100 L143 S144 S149 D150 F212 | D96-R147 IonicContact OD1-CZ 3.89Å; D96-R147 IonicContact OD1-NH2 3.9Å; D96-R147 PolarHBondContact OD1-NH2 3.4Å; D96-R147 IonicContact OD2-NH2 2.91Å; S100-R147 VanDerWaalsContact OG-CZ 3.29Å; S100-R147 PolarHBondContact OG-NH1 3.32Å; S100-R147 PolarHBondContact OG-NH2 3.36Å; L143-R147 WeakPolarHBondContact O-CB 3.44Å; L143-R147 PolarHBondContact O-N 3.24Å; S144-R147 PolarHBondContact O-N 3.1Å; R147-S149 PolarHBondContact O-N 3.26Å; R147-D150 WeakPolarHBondContact O-CB 3.48Å; R147-D150 PolarHBondContact O-N 3.3Å; R147-F212 HydrophobicContact CB-CE1 3.77Å; R147-F212 HydrophobicContact CB-CZ 3.8Å; R147-F212 HydrophobicContact CG-CD1 4.17Å; R147-F212 HydrophobicContact CG-CE1 3.55Å; R147-F212 HydrophobicContact CG-CZ 4.07Å |
| 148 | A | 84.6 | Confident | 85.1 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 7% | 0.074 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.3 | -34.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S144 K145 K146 D150 L151 R157 I160 | S144-A148 VanDerWaalsContact O-CB 3.29Å; S144-A148 WeakPolarHBondContact O-CB 3.49Å; S144-A148 PolarHBondContact O-N 2.91Å; K145-A148 PolarHBondContact O-N 2.8Å; K146-A148 VanDerWaalsContact C-N 3.31Å; K146-A148 PolarHBondContact O-N 3.45Å; A148-D150 PolarHBondContact O-N 3.07Å; A148-D150 VanDerWaalsContact O-N 3.13Å; A148-L151 HydrophobicContact CB-CD1 4.47Å; A148-L151 WeakPolarHBondContact O-CB 3.38Å; A148-L151 PolarHBondContact O-N 3.2Å; A148-R157 WeakPolarHBondContact O-CD 3.28Å; A148-R157 VanDerWaalsContact O-CG 3.23Å; A148-R157 WeakPolarHBondContact O-CG 3.47Å; A148-R157 PolarHBondContact O-NE 2.72Å; A148-I160 HydrophobicContact CB-CB 4.13Å; A148-I160 HydrophobicContact CB-CD1 3.73Å; A148-I160 HydrophobicContact CB-CG2 3.94Å |
| 149 | S | 79 | Confident | 84.8 | Confident | 49 Ų | 49 | 47.3 Ų | 47.3 | 34% | 0.343 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -21.2 | 176.2 | 78.8 | 0 | 0 | 0 | 0 | 113.3 | K145 K146 R147 R157 | K145-S149 PolarHBondContact O-N 3.17Å; K146-S149 WeakPolarHBondContact O-CB 3.48Å; K146-S149 PolarHBondContact O-N 3.01Å; K146-S149 PolarHBondContact O-OG 2.83Å; R147-S149 PolarHBondContact O-N 3.26Å; S149-R157 PolarHBondContact O-NH2 3.13Å |
| 150 | D | 75.2 | Confident | 84.6 | Confident | 42 Ų | 42 | 44.5 Ų | 44.5 | 23% | 0.225 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -11.3 | 176 | -60 | -50.6 | 0 | 0 | 0 | 113.8 | R147 A148 | R147-D150 WeakPolarHBondContact O-CB 3.48Å; R147-D150 PolarHBondContact O-N 3.3Å; A148-D150 PolarHBondContact O-N 3.07Å; A148-D150 VanDerWaalsContact O-N 3.13Å |
| 151 | L | 78.4 | Confident | 84.4 | Confident | 37 Ų | 37 | 49 Ų | 49 | 19% | 0.194 | 24% | 0.242 | C | C | . | . | trans | -72.1 | 135.7 | -179.3 | -66.8 | 177.4 | 0 | 0 | 0 | 112 | A148 D156 R157 I160 V211 F212 | A148-L151 HydrophobicContact CB-CD1 4.47Å; A148-L151 WeakPolarHBondContact O-CB 3.38Å; A148-L151 PolarHBondContact O-N 3.2Å; L151-D156 HydrophobicContact CD1-CB 4.03Å; L151-R157 HydrophobicContact CB-CG 4Å; L151-R157 PolarHBondContact O-NE 3.23Å; L151-R157 PolarHBondContact O-NH1 2.87Å; L151-R157 PolarHBondContact O-NH2 3.37Å; L151-I160 HydrophobicContact CD1-CD1 3.39Å; L151-V211 HydrophobicContact CD1-CG1 3.75Å; L151-F212 HydrophobicContact CD1-CE1 4.38Å | ||
| 152 | I | 74.6 | Confident | 84.3 | Confident | 91 Ų | 91 | 50.1 Ų | 50.1 | 47% | 0.467 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -75.9 | -38.8 | 178.2 | -53.2 | 176.7 | 0 | 0 | 0 | 111 | L154 M879 P882 | I152-L154 PolarHBondContact O-N 2.78Å; I152-M879 HydrophobicContact CG2-CB 4.47Å; I152-P882 HydrophobicContact CB-CG 4.35Å; I152-P882 HydrophobicContact CG1-CG 4.11Å |
| 153 | D | 76.9 | Confident | 84.4 | Confident | 49 Ų | 49 | 48 Ų | 48 | 26% | 0.262 | 24% | 0.236 | S | C | . | . | trans | -76 | 115.6 | -176.4 | -165.2 | -21.8 | 0 | 0 | 0 | 111 | E155 D156 R157 S218 | D153-E155 PolarHBondContact O-N 3.32Å; D153-E155 VanDerWaalsContact OD1-CB 3.29Å; D153-E155 WeakPolarHBondContact OD1-CB 3.5Å; D153-E155 PolarHBondContact OD1-N 3.32Å; D153-D156 HydrophobicContact CB-CB 4.1Å; D153-D156 PolarHBondContact O-N 3.32Å; D153-R157 PolarHBondContact O-N 2.79Å; D153-R157 VanDerWaalsContact O-N 3.12Å; D153-S218 PolarHBondContact OD2-OG 3.12Å | ||
| 154 | L | 78.3 | Confident | 84.8 | Confident | 109 Ų | 109 | 46 Ų | 46 | 57% | 0.571 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -63.4 | -27 | 176.8 | -68.3 | 173.5 | 0 | 0 | 0 | 112.5 | I152 R158 | I152-L154 PolarHBondContact O-N 2.78Å; L154-R158 WeakPolarHBondContact O-CG 3.39Å; L154-R158 PolarHBondContact O-N 2.99Å; L154-R158 VanDerWaalsContact O-N 3.16Å; L154-R158 PolarHBondContact O-NE 2.85Å |
| 155 | E | 78.9 | Confident | 85 | Confident | 71 Ų | 71 | 47.1 Ų | 47.1 | 33% | 0.332 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -70.4 | -42.3 | 175.5 | -167.1 | 61.1 | -139.4 | 0 | 0 | 111.1 | D153 R157 R158 K159 | D153-E155 PolarHBondContact O-N 3.32Å; D153-E155 VanDerWaalsContact OD1-CB 3.29Å; D153-E155 WeakPolarHBondContact OD1-CB 3.5Å; D153-E155 PolarHBondContact OD1-N 3.32Å; E155-R157 VanDerWaalsContact C-N 3.33Å; E155-R157 PolarHBondContact O-N 3.33Å; E155-R158 PolarHBondContact O-N 2.94Å; E155-R158 VanDerWaalsContact O-N 3.14Å; E155-R158 IonicContact OE2-CZ 3.59Å; E155-R158 IonicContact OE2-NE 3.81Å; E155-R158 IonicContact OE2-NH1 3.73Å; E155-R158 PolarHBondContact OE2-NH1 3.12Å; E155-R158 IonicContact OE2-NH2 2.66Å; E155-R158 PolarHBondContact OE2-NH2 2.88Å; E155-K159 WeakPolarHBondContact O-CG 3.41Å; E155-K159 PolarHBondContact O-N 3.11Å |
| 156 | D | 85.6 | Confident | 85.4 | Confident | 19 Ų | 19 | 43.5 Ų | 43.5 | 10% | 0.102 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67 | -36.4 | 177.9 | -74.1 | -15.2 | 0 | 0 | 0 | 112 | L151 D153 R158 K159 I160 V211 | L151-D156 HydrophobicContact CD1-CB 4.03Å; D153-D156 HydrophobicContact CB-CB 4.1Å; D153-D156 PolarHBondContact O-N 3.32Å; D156-R158 VanDerWaalsContact C-N 3.35Å; D156-R158 PolarHBondContact O-N 3.11Å; D156-K159 PolarHBondContact O-N 3.09Å; D156-K159 IonicContact OD1-NZ 2.98Å; D156-K159 PolarHBondContact OD1-NZ 2.85Å; D156-I160 WeakPolarHBondContact O-CG1 3.09Å; D156-I160 PolarHBondContact O-N 3.24Å; D156-V211 HydrophobicContact CB-CG1 3.65Å; D156-V211 HydrophobicContact CB-CG2 4.44Å |
| 157 | R | 86 | Confident | 86.2 | Confident | 62 Ų | 62 | 39.4 Ų | 39.4 | 23% | 0.234 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.4 | -47.5 | 168.6 | -72.5 | -171.8 | 174.2 | 142.7 | -7.4 | 112.1 | A148 S149 L151 D153 E155 I160 E161 | A148-R157 WeakPolarHBondContact O-CD 3.28Å; A148-R157 VanDerWaalsContact O-CG 3.23Å; A148-R157 WeakPolarHBondContact O-CG 3.47Å; A148-R157 PolarHBondContact O-NE 2.72Å; S149-R157 PolarHBondContact O-NH2 3.13Å; L151-R157 HydrophobicContact CB-CG 4Å; L151-R157 PolarHBondContact O-NE 3.23Å; L151-R157 PolarHBondContact O-NH1 2.87Å; L151-R157 PolarHBondContact O-NH2 3.37Å; D153-R157 PolarHBondContact O-N 2.79Å; D153-R157 VanDerWaalsContact O-N 3.12Å; E155-R157 VanDerWaalsContact C-N 3.33Å; E155-R157 PolarHBondContact O-N 3.33Å; R157-I160 PolarHBondContact O-N 3.31Å; R157-E161 WeakPolarHBondContact O-CB 3.3Å; R157-E161 PolarHBondContact O-N 3.37Å |
| 158 | R | 84.4 | Confident | 86.8 | Confident | 36 Ų | 36 | 41.8 Ų | 41.8 | 14% | 0.136 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.2 | -37.2 | 179.3 | -77.5 | 177.9 | -77.9 | 155.7 | 3.5 | 112.6 | L154 E155 D156 E161 S162 S396 | L154-R158 WeakPolarHBondContact O-CG 3.39Å; L154-R158 PolarHBondContact O-N 2.99Å; L154-R158 VanDerWaalsContact O-N 3.16Å; L154-R158 PolarHBondContact O-NE 2.85Å; E155-R158 PolarHBondContact O-N 2.94Å; E155-R158 VanDerWaalsContact O-N 3.14Å; E155-R158 IonicContact OE2-CZ 3.59Å; E155-R158 IonicContact OE2-NE 3.81Å; E155-R158 IonicContact OE2-NH1 3.73Å; E155-R158 PolarHBondContact OE2-NH1 3.12Å; E155-R158 IonicContact OE2-NH2 2.66Å; E155-R158 PolarHBondContact OE2-NH2 2.88Å; D156-R158 VanDerWaalsContact C-N 3.35Å; D156-R158 PolarHBondContact O-N 3.11Å; R158-E161 PolarHBondContact O-N 3.37Å; R158-S162 VanDerWaalsContact O-CB 3.3Å; R158-S162 WeakPolarHBondContact O-CB 3.38Å; R158-S162 PolarHBondContact O-N 2.98Å; R158-S162 PolarHBondContact O-OG 3.29Å; R158-S396 PolarHBondContact NH1-OG 3.26Å |
| 159 | K | 88.6 | Confident | 87.4 | Confident | 44 Ų | 44 | 42.4 Ų | 42.4 | 19% | 0.191 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.1 | -46.3 | 172.3 | -71.9 | 172.3 | -167.6 | 154 | 0 | 111.5 | E155 D156 E161 S162 A163 L207 V211 S216 | E155-K159 WeakPolarHBondContact O-CG 3.41Å; E155-K159 PolarHBondContact O-N 3.11Å; D156-K159 PolarHBondContact O-N 3.09Å; D156-K159 IonicContact OD1-NZ 2.98Å; D156-K159 PolarHBondContact OD1-NZ 2.85Å; K159-E161 VanDerWaalsContact C-N 3.35Å; K159-S162 PolarHBondContact O-N 3.06Å; K159-A163 WeakPolarHBondContact O-CB 3.44Å; K159-A163 PolarHBondContact O-N 3.05Å; K159-L207 HydrophobicContact CB-CD1 4.25Å; K159-L207 HydrophobicContact CB-CD2 4.29Å; K159-L207 HydrophobicContact CB-CG 4.28Å; K159-L207 HydrophobicContact CD-CD1 4.11Å; K159-L207 HydrophobicContact CG-CD1 4.31Å; K159-V211 HydrophobicContact CB-CG2 4.11Å; K159-V211 HydrophobicContact CD-CG2 3.9Å; K159-S216 PolarHBondContact NZ-OG 3.3Å |
| 160 | I | 91.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.7 | -42.2 | 178.2 | -67.8 | 169 | 0 | 0 | 0 | 110.9 | A148 L151 D156 R157 S164 I208 V211 F212 | A148-I160 HydrophobicContact CB-CB 4.13Å; A148-I160 HydrophobicContact CB-CD1 3.73Å; A148-I160 HydrophobicContact CB-CG2 3.94Å; L151-I160 HydrophobicContact CD1-CD1 3.39Å; D156-I160 WeakPolarHBondContact O-CG1 3.09Å; D156-I160 PolarHBondContact O-N 3.24Å; R157-I160 PolarHBondContact O-N 3.31Å; I160-S164 WeakPolarHBondContact O-CB 3.37Å; I160-S164 PolarHBondContact O-N 3.43Å; I160-S164 PolarHBondContact O-OG 3.27Å; I160-I208 HydrophobicContact CG1-CG2 4.41Å; I160-V211 HydrophobicContact CD1-CB 4.43Å; I160-V211 HydrophobicContact CD1-CG1 3.74Å; I160-V211 HydrophobicContact CG1-CB 4.35Å; I160-V211 HydrophobicContact CG1-CG1 4.09Å; I160-F212 HydrophobicContact CD1-CD1 4.47Å; I160-F212 HydrophobicContact CD1-CE1 3.62Å; I160-F212 HydrophobicContact CD1-CE2 4.23Å; I160-F212 HydrophobicContact CD1-CZ 3.49Å; I160-F212 VanDerWaalsContact CD1-CZ 3.49Å; I160-F212 HydrophobicContact CG1-CZ 4.43Å |
| 161 | E | 90.1 | Very high | 89.4 | Confident | 93 Ų | 93 | 38.1 Ų | 38.1 | 44% | 0.435 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.3 | -46.7 | 176.7 | 179.8 | 165.1 | -147.4 | 0 | 0 | 111.8 | R157 R158 K159 S164 Y165 | R157-E161 WeakPolarHBondContact O-CB 3.3Å; R157-E161 PolarHBondContact O-N 3.37Å; R158-E161 PolarHBondContact O-N 3.37Å; K159-E161 VanDerWaalsContact C-N 3.35Å; E161-S164 WeakPolarHBondContact O-CB 3.29Å; E161-S164 PolarHBondContact O-N 3.04Å; E161-Y165 PolarHBondContact O-N 3.39Å |
| 162 | S | 91.8 | Very high | 90.3 | Very high | 30 Ų | 30 | 38.5 Ų | 38.5 | 21% | 0.21 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.3 | -49.6 | 177.1 | -61.8 | 0 | 0 | 0 | 0 | 111.8 | R158 K159 S164 Y165 V166 | R158-S162 VanDerWaalsContact O-CB 3.3Å; R158-S162 WeakPolarHBondContact O-CB 3.38Å; R158-S162 PolarHBondContact O-N 2.98Å; R158-S162 PolarHBondContact O-OG 3.29Å; K159-S162 PolarHBondContact O-N 3.06Å; S162-S164 VanDerWaalsContact C-N 3.3Å; S162-S164 PolarHBondContact O-N 2.9Å; S162-Y165 WeakPolarHBondContact O-CB 3.36Å; S162-Y165 PolarHBondContact O-N 3.36Å; S162-V166 WeakPolarHBondContact O-CG2 3.16Å; S162-V166 PolarHBondContact O-N 2.92Å; S162-V166 VanDerWaalsContact O-N 3.08Å |
| 163 | A | 95.9 | Very high | 91.4 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 3% | 0.025 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.9 | -39.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K159 Y165 V166 L167 A204 L207 I208 | K159-A163 WeakPolarHBondContact O-CB 3.44Å; K159-A163 PolarHBondContact O-N 3.05Å; A163-Y165 VanDerWaalsContact C-N 3.31Å; A163-Y165 PolarHBondContact O-N 3.4Å; A163-V166 PolarHBondContact O-N 3.5Å; A163-L167 WeakPolarHBondContact O-CG 3.41Å; A163-L167 PolarHBondContact O-N 3.26Å; A163-A204 HydrophobicContact CB-CB 4.13Å; A163-A204 WeakPolarHBondContact CB-O 3.41Å; A163-L207 HydrophobicContact CB-CB 4.44Å; A163-L207 HydrophobicContact CB-CD2 4.18Å; A163-L207 HydrophobicContact CB-CG 4.46Å; A163-I208 HydrophobicContact CB-CD1 3.74Å; A163-I208 HydrophobicContact CB-CG1 3.4Å |
| 164 | S | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.2 | -33.5 | 177.4 | -64.2 | 0 | 0 | 0 | 0 | 112.7 | S144 I160 E161 S162 R168 | S144-S164 PolarHBondContact OG-OG 3.48Å; I160-S164 WeakPolarHBondContact O-CB 3.37Å; I160-S164 PolarHBondContact O-N 3.43Å; I160-S164 PolarHBondContact O-OG 3.27Å; E161-S164 WeakPolarHBondContact O-CB 3.29Å; E161-S164 PolarHBondContact O-N 3.04Å; S162-S164 VanDerWaalsContact C-N 3.3Å; S162-S164 PolarHBondContact O-N 2.9Å; S164-R168 WeakPolarHBondContact O-CB 3.46Å; S164-R168 PolarHBondContact O-N 2.98Å; S164-R168 VanDerWaalsContact O-N 3.08Å |
| 165 | Y | 95.6 | Very high | 93.3 | Very high | 24 Ų | 24 | 27.7 Ų | 27.7 | 9% | 0.094 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.6 | -49.3 | 172 | -178.9 | -86.9 | 0 | 0 | 0 | 110.4 | E161 S162 A163 L167 R168 N169 L400 Q404 E441 S442 L445 | E161-Y165 PolarHBondContact O-N 3.39Å; S162-Y165 WeakPolarHBondContact O-CB 3.36Å; S162-Y165 PolarHBondContact O-N 3.36Å; A163-Y165 VanDerWaalsContact C-N 3.31Å; A163-Y165 PolarHBondContact O-N 3.4Å; Y165-L167 PolarHBondContact O-N 2.73Å; Y165-R168 PolarHBondContact O-N 2.92Å; Y165-N169 WeakPolarHBondContact CE1-ND2 3.45Å; Y165-N169 WeakPolarHBondContact CE2-ND2 3.32Å; Y165-N169 WeakPolarHBondContact O-CB 3.28Å; Y165-N169 PolarHBondContact O-N 2.89Å; Y165-N169 PolarHBondContact OH-ND2 3.16Å; Y165-L400 HydrophobicContact CD1-CD1 4.27Å; Y165-L400 HydrophobicContact CD1-CD2 4.04Å; Y165-L400 HydrophobicContact CD1-CG 4.25Å; Y165-L400 HydrophobicContact CG-CD2 3.93Å; Y165-Q404 HydrophobicContact CD1-CG 4.44Å; Y165-Q404 HydrophobicContact CE1-CG 4.11Å; Y165-E441 PolarHBondContact OH-O 3.49Å; Y165-S442 WeakPolarHBondContact OH-CA 3.46Å; Y165-S442 PolarHBondContact OH-N 3.41Å; Y165-L445 HydrophobicContact CD2-CD2 4.28Å; Y165-L445 HydrophobicContact CE1-CD2 4.44Å; Y165-L445 HydrophobicContact CE2-CD2 3.7Å |
| 166 | V | 97.3 | Very high | 94.1 | Very high | 13 Ų | 13 | 24.8 Ų | 24.8 | 8% | 0.079 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.9 | -48.8 | 176.6 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | S162 A163 R168 N169 N170 S200 A204 L400 | S162-V166 WeakPolarHBondContact O-CG2 3.16Å; S162-V166 PolarHBondContact O-N 2.92Å; S162-V166 VanDerWaalsContact O-N 3.08Å; A163-V166 PolarHBondContact O-N 3.5Å; V166-R168 PolarHBondContact O-N 3.46Å; V166-N169 PolarHBondContact O-N 3.25Å; V166-N170 HydrophobicContact CG1-CB 4.49Å; V166-N170 VanDerWaalsContact O-CB 3.25Å; V166-N170 WeakPolarHBondContact O-CB 3.42Å; V166-N170 PolarHBondContact O-N 3.07Å; V166-S200 WeakPolarHBondContact CG1-OG 3.5Å; V166-A204 HydrophobicContact CB-CB 4.05Å; V166-A204 HydrophobicContact CG1-CB 3.87Å; V166-L400 HydrophobicContact CG2-CD1 4.31Å |
| 167 | L | 98 | Very high | 94.7 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.3 | -45.5 | 178.6 | -71.6 | 176.3 | 0 | 0 | 0 | 112.1 | V137 L140 I141 A163 Y165 N169 T171 L201 A204 V205 I208 | V137-L167 HydrophobicContact CG1-CB 4.3Å; L140-L167 HydrophobicContact CD2-CD1 4.21Å; I141-L167 HydrophobicContact CD1-CB 3.82Å; I141-L167 HydrophobicContact CG1-CB 3.97Å; I141-L167 HydrophobicContact CG1-CD1 4.22Å; A163-L167 WeakPolarHBondContact O-CG 3.41Å; A163-L167 PolarHBondContact O-N 3.26Å; Y165-L167 PolarHBondContact O-N 2.73Å; L167-N169 PolarHBondContact O-N 3.44Å; L167-T171 VanDerWaalsContact O-CB 3.25Å; L167-T171 WeakPolarHBondContact O-CB 3.36Å; L167-T171 PolarHBondContact O-N 3.47Å; L167-T171 PolarHBondContact O-OG1 3.22Å; L167-L201 HydrophobicContact CD2-CB 4.49Å; L167-L201 HydrophobicContact CD2-CD2 3.87Å; L167-A204 HydrophobicContact CD2-CB 3.89Å; L167-A204 HydrophobicContact CG-CB 3.86Å; L167-V205 HydrophobicContact CD1-CG2 4.37Å; L167-V205 HydrophobicContact CD2-CG2 3.76Å; L167-I208 HydrophobicContact CD1-CD1 3.65Å |
| 168 | R | 97.1 | Very high | 95.2 | Very high | 96 Ų | 96 | 21 Ų | 21 | 36% | 0.362 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -60.9 | -47.7 | -180 | -175.4 | -179.8 | -63.9 | 104.1 | 9.6 | 111 | I141 S164 Y165 V166 | I141-R168 HydrophobicContact CD1-CB 4.03Å; I141-R168 VanDerWaalsContact CG2-NH2 3.31Å; S164-R168 WeakPolarHBondContact O-CB 3.46Å; S164-R168 PolarHBondContact O-N 2.98Å; S164-R168 VanDerWaalsContact O-N 3.08Å; Y165-R168 PolarHBondContact O-N 2.92Å; V166-R168 PolarHBondContact O-N 3.46Å |
| 169 | N | 96.7 | Very high | 95.8 | Very high | 22 Ų | 22 | 21.7 Ų | 21.7 | 12% | 0.118 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -85.1 | -36.8 | -168.5 | -66.9 | -2.9 | 0 | 0 | 0 | 112.3 | Y165 V166 L167 P172 V438 | Y165-N169 WeakPolarHBondContact CE1-ND2 3.45Å; Y165-N169 WeakPolarHBondContact CE2-ND2 3.32Å; Y165-N169 WeakPolarHBondContact O-CB 3.28Å; Y165-N169 PolarHBondContact O-N 2.89Å; Y165-N169 PolarHBondContact OH-ND2 3.16Å; V166-N169 PolarHBondContact O-N 3.25Å; L167-N169 PolarHBondContact O-N 3.44Å; N169-P172 WeakPolarHBondContact O-CD 3.35Å; N169-V438 HydrophobicContact CB-CG1 3.99Å; N169-V438 HydrophobicContact CB-CG2 4.32Å; N169-V438 WeakPolarHBondContact O-CG2 3.3Å |
| 170 | N | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -86.4 | -17 | -174.2 | -66 | 0.7 | 0 | 0 | 0 | 113.1 | V166 L173 L174 V197 S200 L201 Q404 | V166-N170 HydrophobicContact CG1-CB 4.49Å; V166-N170 VanDerWaalsContact O-CB 3.25Å; V166-N170 WeakPolarHBondContact O-CB 3.42Å; V166-N170 PolarHBondContact O-N 3.07Å; N170-L173 HydrophobicContact CB-CD1 4.31Å; N170-L173 VanDerWaalsContact O-CB 3.23Å; N170-L173 WeakPolarHBondContact O-CB 3.49Å; N170-L173 PolarHBondContact O-N 3.38Å; N170-L174 PolarHBondContact O-N 3.29Å; N170-V197 HydrophobicContact CB-CG1 4.38Å; N170-V197 VanDerWaalsContact O-CG1 3.31Å; N170-V197 WeakPolarHBondContact O-CG1 3.46Å; N170-S200 PolarHBondContact ND2-OG 2.99Å; N170-L201 HydrophobicContact CB-CD2 3.92Å; N170-L201 HydrophobicContact CB-CG 4.4Å; N170-Q404 PolarHBondContact ND2-OE1 2.92Å |
| 171 | T | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.9 | -46.5 | -179.9 | -70.8 | 0 | 0 | 0 | 0 | 113.5 | W130 F133 Y134 V137 L167 L173 L174 | W130-T171 HydrophobicContact CH2-CG2 3.83Å; W130-T171 HydrophobicContact CZ3-CG2 3.67Å; F133-T171 HydrophobicContact CD1-CG2 4.41Å; F133-T171 HydrophobicContact CE1-CG2 3.82Å; Y134-T171 HydrophobicContact CD2-CG2 3.64Å; Y134-T171 HydrophobicContact CE2-CG2 4.08Å; V137-T171 HydrophobicContact CG2-CG2 4.46Å; L167-T171 VanDerWaalsContact O-CB 3.25Å; L167-T171 WeakPolarHBondContact O-CB 3.36Å; L167-T171 PolarHBondContact O-N 3.47Å; L167-T171 PolarHBondContact O-OG1 3.22Å; T171-L173 PolarHBondContact O-N 3.35Å; T171-L174 WeakPolarHBondContact O-CB 3.23Å; T171-L174 PolarHBondContact O-N 3.21Å |
| 172 | P | 97.3 | Very high | 96.7 | Very high | 46 Ų | 46 | 18.1 Ų | 18.1 | 30% | 0.299 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -60 | -28.3 | 172.9 | -25.6 | 35.3 | 0 | 0 | 0 | 114.6 | N169 L174 H175 T176 | N169-P172 WeakPolarHBondContact O-CD 3.35Å; P172-L174 VanDerWaalsContact C-N 3.3Å; P172-L174 PolarHBondContact O-N 3.2Å; P172-H175 PolarHBondContact O-N 3.42Å; P172-T176 PolarHBondContact O-N 3.31Å; P172-T176 VanDerWaalsContact O-N 3.11Å; P172-T176 PolarHBondContact O-OG1 2.78Å |
| 173 | L | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.5 | -34.1 | 178.3 | -51.7 | -175.3 | 0 | 0 | 0 | 111.3 | N170 T171 T176 S177 V197 L408 A434 F435 V438 | N170-L173 HydrophobicContact CB-CD1 4.31Å; N170-L173 VanDerWaalsContact O-CB 3.23Å; N170-L173 WeakPolarHBondContact O-CB 3.49Å; N170-L173 PolarHBondContact O-N 3.38Å; T171-L173 PolarHBondContact O-N 3.35Å; L173-T176 PolarHBondContact O-OG1 3.16Å; L173-S177 WeakPolarHBondContact O-CB 3.45Å; L173-S177 PolarHBondContact O-N 3.12Å; L173-S177 PolarHBondContact O-OG 3.43Å; L173-V197 HydrophobicContact CB-CG1 4.04Å; L173-V197 HydrophobicContact CB-CG2 3.62Å; L173-V197 HydrophobicContact CD1-CG2 4.35Å; L173-L408 HydrophobicContact CD1-CD2 4.01Å; L173-A434 HydrophobicContact CD2-CB 3.85Å; L173-A434 WeakPolarHBondContact CD2-O 3.25Å; L173-F435 HydrophobicContact CB-CD2 4.38Å; L173-F435 HydrophobicContact CB-CE2 3.82Å; L173-F435 HydrophobicContact CB-CZ 3.98Å; L173-F435 HydrophobicContact CD1-CD1 4.09Å; L173-F435 HydrophobicContact CD1-CE1 3.92Å; L173-F435 HydrophobicContact CD1-CE2 4.39Å; L173-F435 HydrophobicContact CD1-CG 4.41Å; L173-F435 HydrophobicContact CD1-CZ 4.09Å; L173-F435 HydrophobicContact CD2-CB 4.39Å; L173-F435 HydrophobicContact CD2-CD1 4.44Å; L173-F435 HydrophobicContact CD2-CD2 3.71Å; L173-F435 HydrophobicContact CD2-CE2 4.03Å; L173-F435 HydrophobicContact CD2-CG 3.94Å; L173-F435 HydrophobicContact CG-CD2 4.43Å; L173-F435 HydrophobicContact CG-CE2 4.3Å; L173-F435 HydrophobicContact CG-CZ 4.44Å; L173-V438 HydrophobicContact CD1-CB 4.3Å; L173-V438 HydrophobicContact CD1-CG1 4.25Å; L173-V438 HydrophobicContact CD1-CG2 4.16Å; L173-V438 HydrophobicContact CD2-CB 4.38Å; L173-V438 HydrophobicContact CD2-CG2 3.76Å; L173-V438 HydrophobicContact CG-CG2 4.07Å |
| 174 | L | 97.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.7 | -48.1 | 178.4 | -177 | 59.3 | 0 | 0 | 0 | 110.3 | F117 N170 T171 P172 S177 C178 R194 V197 S198 L201 | F117-L174 HydrophobicContact CB-CD1 4.14Å; F117-L174 HydrophobicContact CB-CD2 3.89Å; F117-L174 HydrophobicContact CB-CG 4.06Å; F117-L174 HydrophobicContact CD1-CD2 4.3Å; F117-L174 HydrophobicContact CD1-CG 4.15Å; F117-L174 HydrophobicContact CD2-CD2 3.51Å; F117-L174 HydrophobicContact CD2-CG 4.24Å; F117-L174 HydrophobicContact CE2-CD2 4.13Å; F117-L174 HydrophobicContact CG-CD2 3.66Å; F117-L174 HydrophobicContact CG-CG 3.91Å; N170-L174 PolarHBondContact O-N 3.29Å; T171-L174 WeakPolarHBondContact O-CB 3.23Å; T171-L174 PolarHBondContact O-N 3.21Å; P172-L174 VanDerWaalsContact C-N 3.3Å; P172-L174 PolarHBondContact O-N 3.2Å; L174-S177 PolarHBondContact O-N 2.76Å; L174-C178 PolarHBondContact O-N 3.48Å; L174-C178 PolarHBondContact O-SG 3.39Å; L174-R194 HydrophobicContact CD1-CG 4.06Å; L174-V197 HydrophobicContact CB-CG1 3.73Å; L174-V197 HydrophobicContact CD1-CG1 4.45Å; L174-S198 WeakPolarHBondContact CD1-OG 3.43Å; L174-L201 HydrophobicContact CB-CD1 4.05Å; L174-L201 HydrophobicContact CD2-CD1 3.87Å |
| 175 | H | 96.8 | Very high | 96.5 | Very high | 21 Ų | 21 | 29.7 Ų | 29.7 | 10% | 0.097 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.9 | -47.9 | -179.8 | 176.3 | -128.1 | 0 | 0 | 0 | 112.1 | W130 P172 C178 K179 | W130-H175 HydrophobicContact CD2-CB 4.17Å; W130-H175 AromaticContact CD2-CG 3.94Å; W130-H175 HydrophobicContact CE3-CB 3.51Å; W130-H175 AromaticContact CE3-CG 3.79Å; W130-H175 HydrophobicContact CH2-CB 4.25Å; W130-H175 HydrophobicContact CZ3-CB 3.54Å; P172-H175 PolarHBondContact O-N 3.42Å; H175-C178 PolarHBondContact O-N 3.4Å; H175-K179 WeakPolarHBondContact CE1-CE 3.33Å; H175-K179 PolarHBondContact CE1-NZ 2.96Å; H175-K179 VanDerWaalsContact CE1-NZ 3.29Å; H175-K179 VanDerWaalsContact NE2-CE 3.31Å; H175-K179 WeakPolarHBondContact NE2-CE 3.4Å; H175-K179 WeakPolarHBondContact O-CG 3.38Å; H175-K179 PolarHBondContact O-N 3.3Å; H175-K179 VanDerWaalsContact O-N 3.09Å |
| 176 | T | 97.1 | Very high | 96.3 | Very high | 10 Ų | 10 | 35.4 Ų | 35.4 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.8 | -37.9 | 179.5 | 57.6 | 0 | 0 | 0 | 0 | 112.4 | P172 L173 C178 K179 V180 N431 A434 | P172-T176 PolarHBondContact O-N 3.31Å; P172-T176 VanDerWaalsContact O-N 3.11Å; P172-T176 PolarHBondContact O-OG1 2.78Å; L173-T176 PolarHBondContact O-OG1 3.16Å; T176-C178 VanDerWaalsContact C-N 3.32Å; T176-C178 PolarHBondContact O-N 2.82Å; T176-K179 WeakPolarHBondContact O-CB 3.22Å; T176-K179 PolarHBondContact O-N 2.89Å; T176-V180 WeakPolarHBondContact O-CG2 3.34Å; T176-V180 PolarHBondContact O-N 3.07Å; T176-V180 VanDerWaalsContact O-N 3.14Å; T176-N431 PolarHBondContact OG1-ND2 2.9Å; T176-A434 HydrophobicContact CG2-CB 3.92Å |
| 177 | S | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.7 | -39.3 | 175.2 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | L173 L174 V180 C181 N431 | L173-S177 WeakPolarHBondContact O-CB 3.45Å; L173-S177 PolarHBondContact O-N 3.12Å; L173-S177 PolarHBondContact O-OG 3.43Å; L174-S177 PolarHBondContact O-N 2.76Å; S177-V180 PolarHBondContact O-N 3.05Å; S177-C181 PolarHBondContact O-N 2.7Å; S177-C181 PolarHBondContact O-SG 3.46Å; S177-N431 PolarHBondContact N-ND2 3.17Å; S177-N431 PolarHBondContact OG-ND2 2.97Å |
| 178 | C | 97.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.1 | -41.1 | 174.1 | -67.6 | 0 | 0 | 0 | 0 | 112.3 | F117 L126 L174 H175 T176 V180 C181 L182 R194 | F117-C178 PolarHBondContact O-SG 3.31Å; L126-C178 HydrophobicContact CD1-CB 3.64Å; L126-C178 HydrophobicContact CD2-CB 3.88Å; L126-C178 HydrophobicContact CG-CB 4.46Å; L174-C178 PolarHBondContact O-N 3.48Å; L174-C178 PolarHBondContact O-SG 3.39Å; H175-C178 PolarHBondContact O-N 3.4Å; T176-C178 VanDerWaalsContact C-N 3.32Å; T176-C178 PolarHBondContact O-N 2.82Å; C178-V180 VanDerWaalsContact C-N 3.27Å; C178-V180 PolarHBondContact O-N 3.33Å; C178-C181 WeakPolarHBondContact O-CB 3.49Å; C178-C181 PolarHBondContact O-N 3.12Å; C178-L182 WeakPolarHBondContact O-CG 3.41Å; C178-L182 PolarHBondContact O-N 3.34Å; C178-R194 WeakPolarHBondContact SG-CD 3.4Å |
| 179 | K | 97 | Very high | 95.6 | Very high | 52 Ų | 52 | 36.3 Ų | 36.3 | 23% | 0.226 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57 | -42.2 | 174.7 | -72.2 | -177.4 | 175.7 | 176.2 | 0 | 111.7 | L126 H175 T176 L182 R183 | L126-K179 HydrophobicContact CD2-CB 4.35Å; L126-K179 HydrophobicContact CD2-CG 3.5Å; L126-K179 VanDerWaalsContact CD2-CG 3.5Å; H175-K179 WeakPolarHBondContact CE1-CE 3.33Å; H175-K179 PolarHBondContact CE1-NZ 2.96Å; H175-K179 VanDerWaalsContact CE1-NZ 3.29Å; H175-K179 VanDerWaalsContact NE2-CE 3.31Å; H175-K179 WeakPolarHBondContact NE2-CE 3.4Å; H175-K179 WeakPolarHBondContact O-CG 3.38Å; H175-K179 PolarHBondContact O-N 3.3Å; H175-K179 VanDerWaalsContact O-N 3.09Å; T176-K179 WeakPolarHBondContact O-CB 3.22Å; T176-K179 PolarHBondContact O-N 2.89Å; K179-L182 PolarHBondContact O-N 2.81Å; K179-R183 PolarHBondContact O-N 3.48Å |
| 180 | V | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.1 | -40.9 | 177.7 | -173.4 | 0 | 0 | 0 | 0 | 111.2 | T176 S177 C178 L182 R183 Y184 P190 L418 S427 V428 N431 | T176-V180 WeakPolarHBondContact O-CG2 3.34Å; T176-V180 PolarHBondContact O-N 3.07Å; T176-V180 VanDerWaalsContact O-N 3.14Å; S177-V180 PolarHBondContact O-N 3.05Å; C178-V180 VanDerWaalsContact C-N 3.27Å; C178-V180 PolarHBondContact O-N 3.33Å; V180-L182 VanDerWaalsContact C-N 3.3Å; V180-L182 PolarHBondContact O-N 3.18Å; V180-R183 PolarHBondContact O-N 3.03Å; V180-R183 VanDerWaalsContact O-N 3.11Å; V180-Y184 HydrophobicContact CG1-CD2 3.96Å; V180-Y184 PolarHBondContact O-N 3.38Å; V180-P190 HydrophobicContact CB-CB 4.02Å; V180-P190 HydrophobicContact CB-CG 4.2Å; V180-P190 HydrophobicContact CG1-CB 3.78Å; V180-P190 HydrophobicContact CG1-CG 3.39Å; V180-L418 HydrophobicContact CG1-CD2 3.88Å; V180-S427 VanDerWaalsContact CG2-O 3.25Å; V180-S427 WeakPolarHBondContact CG2-O 3.46Å; V180-V428 HydrophobicContact CG1-CG2 4.05Å; V180-N431 HydrophobicContact CG2-CB 3.51Å |
| 181 | C | 96.2 | Very high | 95.1 | Very high | 11 Ų | 11 | 40.4 Ų | 40.4 | 7% | 0.074 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.9 | -42.1 | 174 | -68.8 | 0 | 0 | 0 | 0 | 112.2 | S177 C178 R183 Y184 P185 P190 | S177-C181 PolarHBondContact O-N 2.7Å; S177-C181 PolarHBondContact O-SG 3.46Å; C178-C181 WeakPolarHBondContact O-CB 3.49Å; C178-C181 PolarHBondContact O-N 3.12Å; C181-R183 VanDerWaalsContact C-N 3.3Å; C181-R183 PolarHBondContact O-N 3.31Å; C181-Y184 CarbonylContact O-C 3.6Å; C181-P185 WeakPolarHBondContact O-CA 3.44Å; C181-P185 VanDerWaalsContact O-N 3.16Å; C181-P190 VanDerWaalsContact SG-CB 3.59Å; C181-P190 PolarHBondContact SG-O 3.25Å |
| 182 | L | 95.9 | Very high | 94.9 | Very high | 51 Ų | 51 | 44.7 Ų | 44.7 | 27% | 0.267 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.5 | -34.5 | 177.4 | -70.7 | 174.2 | 0 | 0 | 0 | 112.4 | V120 S121 L126 C178 K179 V180 | V120-L182 HydrophobicContact CG1-CD1 4.2Å; V120-L182 HydrophobicContact CG1-CD2 4.41Å; S121-L182 VanDerWaalsContact C-CD2 3.43Å; L126-L182 HydrophobicContact CB-CD1 4.26Å; L126-L182 HydrophobicContact CD2-CD1 3.93Å; C178-L182 WeakPolarHBondContact O-CG 3.41Å; C178-L182 PolarHBondContact O-N 3.34Å; K179-L182 PolarHBondContact O-N 2.81Å; V180-L182 VanDerWaalsContact C-N 3.3Å; V180-L182 PolarHBondContact O-N 3.18Å |
| 183 | R | 94.6 | Very high | 94.8 | Very high | 157 Ų | 157 | 42.5 Ų | 42.5 | 59% | 0.592 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -79.7 | -35.4 | -179.9 | -172.9 | 64.8 | -179.9 | 114.6 | -5 | 112.9 | K179 V180 C181 | K179-R183 PolarHBondContact O-N 3.48Å; V180-R183 PolarHBondContact O-N 3.03Å; V180-R183 VanDerWaalsContact O-N 3.11Å; C181-R183 VanDerWaalsContact C-N 3.3Å; C181-R183 PolarHBondContact O-N 3.31Å |
| 184 | Y | 94.2 | Very high | 94.7 | Very high | 43 Ų | 43 | 44.4 Ų | 44.4 | 17% | 0.169 | 22% | 0.216 | C | C | . | . | trans | -131 | 69.1 | -176.3 | -56.5 | -83.4 | 0 | 0 | 0 | 111 | V180 C181 D186 H187 Y422 S425 V428 | V180-Y184 HydrophobicContact CG1-CD2 3.96Å; V180-Y184 PolarHBondContact O-N 3.38Å; C181-Y184 CarbonylContact O-C 3.6Å; Y184-D186 VanDerWaalsContact C-N 3.27Å; Y184-D186 PolarHBondContact O-N 3.31Å; Y184-H187 WeakPolarHBondContact O-CB 3.46Å; Y184-H187 PolarHBondContact O-N 3.44Å; Y184-H187 VanDerWaalsContact O-N 3.14Å; Y184-Y422 HydrophobicContact CE1-CD1 4.15Å; Y184-Y422 HydrophobicContact CE1-CD2 4.38Å; Y184-Y422 HydrophobicContact CE1-CE1 4.16Å; Y184-Y422 HydrophobicContact CE1-CE2 4.37Å; Y184-Y422 HydrophobicContact CE1-CG 4.26Å; Y184-S425 WeakPolarHBondContact CE2-OG 3.26Å; Y184-S425 VanDerWaalsContact OH-CB 3.22Å; Y184-S425 WeakPolarHBondContact OH-CB 3.03Å; Y184-S425 PolarHBondContact OH-OG 2.96Å; Y184-V428 HydrophobicContact CD2-CG2 4.27Å; Y184-V428 HydrophobicContact CE2-CG2 3.68Å | ||
| 185 | P | 90.5 | Very high | 94.6 | Very high | 75 Ų | 75 | 47.5 Ų | 47.5 | 49% | 0.487 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -31.1 | -171.9 | 24.4 | -34.7 | 0 | 0 | 0 | 113.7 | C181 H187 | C181-P185 WeakPolarHBondContact O-CA 3.44Å; C181-P185 VanDerWaalsContact O-N 3.16Å; P185-H187 VanDerWaalsContact C-N 3.3Å; P185-H187 PolarHBondContact O-N 2.97Å |
| 186 | D | 91.5 | Very high | 94.6 | Very high | 144 Ų | 144 | 48.3 Ų | 48.3 | 77% | 0.77 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -10.7 | -178.7 | -58.5 | -46.4 | 0 | 0 | 0 | 113.1 | Y184 R191 | Y184-D186 VanDerWaalsContact C-N 3.27Å; Y184-D186 PolarHBondContact O-N 3.31Å; D186-R191 PolarHBondContact O-NH2 2.82Å |
| 187 | H | 92.3 | Very high | 94.6 | Very high | 33 Ų | 33 | 47.8 Ų | 47.8 | 15% | 0.153 | 24% | 0.235 | C | C | . | . | trans | -79.7 | 132.2 | -177.5 | -154.8 | -70.8 | 0 | 0 | 0 | 111.3 | Y184 P185 I189 P190 R191 | Y184-H187 WeakPolarHBondContact O-CB 3.46Å; Y184-H187 PolarHBondContact O-N 3.44Å; Y184-H187 VanDerWaalsContact O-N 3.14Å; P185-H187 VanDerWaalsContact C-N 3.3Å; P185-H187 PolarHBondContact O-N 2.97Å; H187-I189 PolarHBondContact ND1-N 3.17Å; H187-P190 HydrophobicContact CB-CG 4.24Å; H187-P190 WeakPolarHBondContact ND1-CD 3.48Å; H187-R191 PolarHBondContact O-NE 2.88Å; H187-R191 VanDerWaalsContact O-NE 3.11Å | ||
| 188 | P | 93 | Very high | 94.7 | Very high | 67 Ų | 67 | 47.8 Ų | 47.8 | 44% | 0.435 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -71.8 | -45.6 | 179.9 | 25.2 | -32.8 | 0 | 0 | 0 | 112.9 | R191 D192 | P188-R191 WeakPolarHBondContact O-CA 3.4Å; P188-R191 WeakPolarHBondContact O-CB 3.13Å; P188-R191 PolarHBondContact O-N 3.36Å; P188-D192 PolarHBondContact O-N 3.41Å |
| 189 | I | 91.8 | Very high | 94.7 | Very high | 29 Ų | 29 | 51.7 Ų | 51.7 | 15% | 0.149 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -47.3 | -53.1 | -174.9 | -63.1 | 176.4 | 0 | 0 | 0 | 113.8 | H187 R191 D192 S193 N414 I415 | H187-I189 PolarHBondContact ND1-N 3.17Å; I189-R191 VanDerWaalsContact C-N 3.27Å; I189-R191 PolarHBondContact O-N 3.33Å; I189-D192 PolarHBondContact O-N 2.92Å; I189-S193 PolarHBondContact O-N 3.04Å; I189-S193 PolarHBondContact O-OG 3.47Å; I189-N414 HydrophobicContact CD1-CB 4.1Å; I189-N414 WeakPolarHBondContact CD1-O 3.38Å; I189-N414 HydrophobicContact CG1-CB 4.3Å; I189-N414 HydrophobicContact CG2-CB 3.77Å; I189-I415 HydrophobicContact CG2-CG1 4.44Å |
| 190 | P | 91.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.9 | -33.8 | 179.8 | -23.8 | 35.3 | 0 | 0 | 0 | 113.5 | V180 C181 H187 R194 L418 | V180-P190 HydrophobicContact CB-CB 4.02Å; V180-P190 HydrophobicContact CB-CG 4.2Å; V180-P190 HydrophobicContact CG1-CB 3.78Å; V180-P190 HydrophobicContact CG1-CG 3.39Å; C181-P190 VanDerWaalsContact SG-CB 3.59Å; C181-P190 PolarHBondContact SG-O 3.25Å; H187-P190 HydrophobicContact CB-CG 4.24Å; H187-P190 WeakPolarHBondContact ND1-CD 3.48Å; P190-R194 VanDerWaalsContact O-CB 3.27Å; P190-R194 WeakPolarHBondContact O-CB 3.34Å; P190-R194 PolarHBondContact O-N 2.67Å; P190-L418 HydrophobicContact CG-CD2 3.92Å |
| 191 | R | 93.6 | Very high | 94.7 | Very high | 108 Ų | 108 | 49.8 Ų | 49.8 | 41% | 0.408 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -70.3 | -41.7 | 178.1 | -67.6 | -175.2 | -79.6 | -179.6 | -5.8 | 110.8 | D186 H187 P188 I189 R194 T195 | D186-R191 PolarHBondContact O-NH2 2.82Å; H187-R191 PolarHBondContact O-NE 2.88Å; H187-R191 VanDerWaalsContact O-NE 3.11Å; P188-R191 WeakPolarHBondContact O-CA 3.4Å; P188-R191 WeakPolarHBondContact O-CB 3.13Å; P188-R191 PolarHBondContact O-N 3.36Å; I189-R191 VanDerWaalsContact C-N 3.27Å; I189-R191 PolarHBondContact O-N 3.33Å; R191-R194 PolarHBondContact O-N 3.33Å; R191-T195 WeakPolarHBondContact O-CB 3.16Å; R191-T195 PolarHBondContact O-N 2.9Å; R191-T195 PolarHBondContact O-OG1 3.17Å |
| 192 | D | 94.6 | Very high | 94.8 | Very high | 90 Ų | 90 | 50.4 Ų | 50.4 | 48% | 0.481 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 175.9 | -61.2 | -24.8 | 0 | 0 | 0 | 110.5 | P188 I189 T195 F196 | P188-D192 PolarHBondContact O-N 3.41Å; I189-D192 PolarHBondContact O-N 2.92Å; D192-T195 PolarHBondContact O-N 3.03Å; D192-F196 WeakPolarHBondContact O-CB 3.4Å; D192-F196 PolarHBondContact O-N 3.07Å |
| 193 | S | 94.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 175.8 | -60.4 | 0 | 0 | 0 | 0 | 112.5 | I189 T195 F196 V197 Q411 | I189-S193 PolarHBondContact O-N 3.04Å; I189-S193 PolarHBondContact O-OG 3.47Å; S193-T195 VanDerWaalsContact C-N 3.32Å; S193-T195 PolarHBondContact O-N 3.49Å; S193-F196 PolarHBondContact O-N 3.37Å; S193-V197 VanDerWaalsContact O-CG2 3.29Å; S193-V197 WeakPolarHBondContact O-CG2 3.39Å; S193-V197 PolarHBondContact O-N 2.82Å; S193-Q411 VanDerWaalsContact CA-OE1 3.31Å; S193-Q411 PolarHBondContact OG-OE1 3.01Å |
| 194 | R | 95.8 | Very high | 94.9 | Very high | 39 Ų | 39 | 45.5 Ų | 45.5 | 15% | 0.147 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.7 | -42.1 | 174 | -178.6 | 175.2 | 65.6 | 168.5 | 3.4 | 111.8 | F117 Q118 L174 C178 P190 R191 S198 | F117-R194 PolarHBondContact O-NH1 2.82Å; Q118-R194 VanDerWaalsContact O-CZ 3.24Å; Q118-R194 PolarHBondContact O-NH1 2.66Å; Q118-R194 PolarHBondContact O-NH2 2.85Å; Q118-R194 VanDerWaalsContact O-NH2 3.13Å; L174-R194 HydrophobicContact CD1-CG 4.06Å; C178-R194 WeakPolarHBondContact SG-CD 3.4Å; P190-R194 VanDerWaalsContact O-CB 3.27Å; P190-R194 WeakPolarHBondContact O-CB 3.34Å; P190-R194 PolarHBondContact O-N 2.67Å; R191-R194 PolarHBondContact O-N 3.33Å; R194-S198 WeakPolarHBondContact O-CB 3.4Å; R194-S198 PolarHBondContact O-N 3.24Å; R194-S198 PolarHBondContact O-OG 2.78Å |
| 195 | T | 95.8 | Very high | 95.1 | Very high | 66 Ų | 66 | 43.5 Ų | 43.5 | 41% | 0.405 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.7 | -46.6 | 178.7 | -55.2 | 0 | 0 | 0 | 0 | 110.8 | R191 D192 S193 V197 S198 N199 | R191-T195 WeakPolarHBondContact O-CB 3.16Å; R191-T195 PolarHBondContact O-N 2.9Å; R191-T195 PolarHBondContact O-OG1 3.17Å; D192-T195 PolarHBondContact O-N 3.03Å; S193-T195 VanDerWaalsContact C-N 3.32Å; S193-T195 PolarHBondContact O-N 3.49Å; T195-V197 PolarHBondContact O-N 3.27Å; T195-S198 PolarHBondContact O-N 3.23Å; T195-N199 VanDerWaalsContact O-CG 3.3Å; T195-N199 PolarHBondContact O-N 3.24Å; T195-N199 PolarHBondContact O-OD1 3.42Å |
| 196 | F | 96.3 | Very high | 95.3 | Very high | 37 Ų | 37 | 45.1 Ų | 45.1 | 16% | 0.162 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -53.6 | -52 | 174.2 | 162.9 | -101.9 | 0 | 0 | 0 | 111.8 | D192 S193 S198 N199 S200 Q407 Q411 F435 | D192-F196 WeakPolarHBondContact O-CB 3.4Å; D192-F196 PolarHBondContact O-N 3.07Å; S193-F196 PolarHBondContact O-N 3.37Å; F196-S198 VanDerWaalsContact C-N 3.35Å; F196-S198 PolarHBondContact O-N 3.34Å; F196-N199 PolarHBondContact O-N 3.48Å; F196-S200 WeakPolarHBondContact O-CB 3.31Å; F196-S200 PolarHBondContact O-N 3.1Å; F196-Q407 HydrophobicContact CE2-CB 3.77Å; F196-Q407 HydrophobicContact CE2-CG 4.34Å; F196-Q407 HydrophobicContact CZ-CB 3.76Å; F196-Q411 HydrophobicContact CD1-CG 3.68Å; F196-Q411 HydrophobicContact CE1-CG 3.91Å; F196-Q411 HydrophobicContact CG-CG 4.09Å; F196-Q411 HydrophobicContact CZ-CG 4.49Å; F196-F435 HydrophobicContact CE1-CE1 4.45Å |
| 197 | V | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.4 | -39.8 | -179.6 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | N170 L173 L174 S193 T195 N199 S200 L201 F435 | N170-V197 HydrophobicContact CB-CG1 4.38Å; N170-V197 VanDerWaalsContact O-CG1 3.31Å; N170-V197 WeakPolarHBondContact O-CG1 3.46Å; L173-V197 HydrophobicContact CB-CG1 4.04Å; L173-V197 HydrophobicContact CB-CG2 3.62Å; L173-V197 HydrophobicContact CD1-CG2 4.35Å; L174-V197 HydrophobicContact CB-CG1 3.73Å; L174-V197 HydrophobicContact CD1-CG1 4.45Å; S193-V197 VanDerWaalsContact O-CG2 3.29Å; S193-V197 WeakPolarHBondContact O-CG2 3.39Å; S193-V197 PolarHBondContact O-N 2.82Å; T195-V197 PolarHBondContact O-N 3.27Å; V197-N199 VanDerWaalsContact C-N 3.34Å; V197-N199 PolarHBondContact O-N 3.29Å; V197-S200 PolarHBondContact O-N 3.44Å; V197-L201 HydrophobicContact CG1-CD1 3.81Å; V197-L201 HydrophobicContact CG1-CG 4.15Å; V197-L201 WeakPolarHBondContact O-CB 3.32Å; V197-L201 VanDerWaalsContact O-CG 3.31Å; V197-L201 WeakPolarHBondContact O-CG 3.35Å; V197-L201 PolarHBondContact O-N 3.26Å; V197-F435 HydrophobicContact CG2-CE1 4.45Å; V197-F435 HydrophobicContact CG2-CZ 3.77Å |
| 198 | S | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.4 | -44.8 | 178 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | L174 R194 T195 F196 L201 S202 | L174-S198 WeakPolarHBondContact CD1-OG 3.43Å; R194-S198 WeakPolarHBondContact O-CB 3.4Å; R194-S198 PolarHBondContact O-N 3.24Å; R194-S198 PolarHBondContact O-OG 2.78Å; T195-S198 PolarHBondContact O-N 3.23Å; F196-S198 VanDerWaalsContact C-N 3.35Å; F196-S198 PolarHBondContact O-N 3.34Å; S198-L201 PolarHBondContact O-N 3.19Å; S198-S202 WeakPolarHBondContact O-CB 3.37Å; S198-S202 PolarHBondContact O-N 2.95Å; S198-S202 PolarHBondContact O-OG 2.82Å |
| 199 | N | 97.2 | Very high | 95.3 | Very high | 83 Ų | 83 | 38.9 Ų | 38.9 | 44% | 0.444 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.1 | -47 | 176.7 | -65.9 | -8.6 | 0 | 0 | 0 | 110.7 | T195 F196 V197 L201 S202 D203 | T195-N199 VanDerWaalsContact O-CG 3.3Å; T195-N199 PolarHBondContact O-N 3.24Å; T195-N199 PolarHBondContact O-OD1 3.42Å; F196-N199 PolarHBondContact O-N 3.48Å; V197-N199 VanDerWaalsContact C-N 3.34Å; V197-N199 PolarHBondContact O-N 3.29Å; N199-L201 VanDerWaalsContact C-N 3.3Å; N199-L201 PolarHBondContact O-N 3.03Å; N199-S202 PolarHBondContact O-N 3.43Å; N199-S202 VanDerWaalsContact O-N 3.1Å; N199-D203 WeakPolarHBondContact O-CB 3.29Å; N199-D203 PolarHBondContact O-N 3.44Å |
| 200 | S | 96.8 | Very high | 95.2 | Very high | 11 Ų | 11 | 38.9 Ų | 38.9 | 8% | 0.077 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.2 | -41.1 | 178.1 | 177.8 | 0 | 0 | 0 | 0 | 112.9 | V166 N170 F196 V197 A204 | V166-S200 WeakPolarHBondContact CG1-OG 3.5Å; N170-S200 PolarHBondContact ND2-OG 2.99Å; F196-S200 WeakPolarHBondContact O-CB 3.31Å; F196-S200 PolarHBondContact O-N 3.1Å; V197-S200 PolarHBondContact O-N 3.44Å; S200-A204 WeakPolarHBondContact O-CB 3.44Å; S200-A204 PolarHBondContact O-N 3.25Å |
| 201 | L | 98.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -71 | -40.7 | 175.9 | -68.4 | 172.7 | 0 | 0 | 0 | 112 | I114 L167 N170 L174 V197 S198 N199 A204 V205 | I114-L201 HydrophobicContact CD1-CB 3.67Å; I114-L201 HydrophobicContact CG1-CB 4.25Å; L167-L201 HydrophobicContact CD2-CB 4.49Å; L167-L201 HydrophobicContact CD2-CD2 3.87Å; N170-L201 HydrophobicContact CB-CD2 3.92Å; N170-L201 HydrophobicContact CB-CG 4.4Å; L174-L201 HydrophobicContact CB-CD1 4.05Å; L174-L201 HydrophobicContact CD2-CD1 3.87Å; V197-L201 HydrophobicContact CG1-CD1 3.81Å; V197-L201 HydrophobicContact CG1-CG 4.15Å; V197-L201 WeakPolarHBondContact O-CB 3.32Å; V197-L201 VanDerWaalsContact O-CG 3.31Å; V197-L201 WeakPolarHBondContact O-CG 3.35Å; V197-L201 PolarHBondContact O-N 3.26Å; S198-L201 PolarHBondContact O-N 3.19Å; N199-L201 VanDerWaalsContact C-N 3.3Å; N199-L201 PolarHBondContact O-N 3.03Å; L201-A204 PolarHBondContact O-N 3.36Å; L201-V205 WeakPolarHBondContact O-CG2 3.39Å; L201-V205 PolarHBondContact O-N 3.45Å |
| 202 | S | 97.9 | Very high | 94.7 | Very high | 23 Ų | 23 | 35.7 Ų | 35.7 | 16% | 0.161 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.3 | -48.5 | 178.2 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | S198 N199 A204 V205 E206 | S198-S202 WeakPolarHBondContact O-CB 3.37Å; S198-S202 PolarHBondContact O-N 2.95Å; S198-S202 PolarHBondContact O-OG 2.82Å; N199-S202 PolarHBondContact O-N 3.43Å; N199-S202 VanDerWaalsContact O-N 3.1Å; S202-A204 VanDerWaalsContact C-N 3.26Å; S202-A204 PolarHBondContact O-N 2.92Å; S202-V205 PolarHBondContact O-N 3.39Å; S202-V205 VanDerWaalsContact O-N 3.11Å; S202-E206 WeakPolarHBondContact O-CB 3.42Å; S202-E206 WeakPolarHBondContact O-CG 3.44Å; S202-E206 PolarHBondContact O-N 3.49Å |
| 203 | D | 96.1 | Very high | 94.1 | Very high | 101 Ų | 101 | 35.4 Ų | 35.4 | 54% | 0.54 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -57 | -41 | 176.3 | -66.3 | -17.7 | 0 | 0 | 0 | 111.4 | N199 L207 | N199-D203 WeakPolarHBondContact O-CB 3.29Å; N199-D203 PolarHBondContact O-N 3.44Å; D203-L207 WeakPolarHBondContact O-CB 3.38Å; D203-L207 PolarHBondContact O-N 3.44Å |
| 204 | A | 97.1 | Very high | 93.1 | Very high | 5 Ų | 5 | 37.8 Ų | 37.8 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67 | -42.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A163 V166 L167 S200 L201 S202 L207 I208 | A163-A204 HydrophobicContact CB-CB 4.13Å; A163-A204 WeakPolarHBondContact CB-O 3.41Å; V166-A204 HydrophobicContact CB-CB 4.05Å; V166-A204 HydrophobicContact CG1-CB 3.87Å; L167-A204 HydrophobicContact CD2-CB 3.89Å; L167-A204 HydrophobicContact CG-CB 3.86Å; S200-A204 WeakPolarHBondContact O-CB 3.44Å; S200-A204 PolarHBondContact O-N 3.25Å; L201-A204 PolarHBondContact O-N 3.36Å; S202-A204 VanDerWaalsContact C-N 3.26Å; S202-A204 PolarHBondContact O-N 2.92Å; A204-L207 PolarHBondContact O-N 3.22Å; A204-I208 WeakPolarHBondContact O-CG1 3.48Å; A204-I208 PolarHBondContact O-N 2.83Å |
| 205 | V | 97.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.5 | -49.7 | 174.7 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | F107 V110 L111 L140 L167 L201 S202 L207 I208 Q209 | F107-V205 HydrophobicContact CB-CG1 4.48Å; F107-V205 HydrophobicContact CD1-CG1 3.55Å; F107-V205 HydrophobicContact CE1-CG1 4.14Å; F107-V205 HydrophobicContact CG-CG1 4.41Å; V110-V205 HydrophobicContact CB-CG2 4.5Å; V110-V205 HydrophobicContact CG1-CG2 3.65Å; L111-V205 HydrophobicContact CD1-CG1 3.98Å; L111-V205 HydrophobicContact CD2-CB 3.97Å; L111-V205 HydrophobicContact CD2-CG1 3.8Å; L111-V205 HydrophobicContact CG-CB 4.4Å; L111-V205 HydrophobicContact CG-CG1 3.72Å; L140-V205 HydrophobicContact CD2-CG2 4.15Å; L167-V205 HydrophobicContact CD1-CG2 4.37Å; L167-V205 HydrophobicContact CD2-CG2 3.76Å; L201-V205 WeakPolarHBondContact O-CG2 3.39Å; L201-V205 PolarHBondContact O-N 3.45Å; S202-V205 PolarHBondContact O-N 3.39Å; S202-V205 VanDerWaalsContact O-N 3.11Å; V205-L207 VanDerWaalsContact C-N 3.29Å; V205-L207 PolarHBondContact O-N 2.91Å; V205-I208 PolarHBondContact O-N 3.25Å; V205-Q209 WeakPolarHBondContact O-CB 3.31Å; V205-Q209 PolarHBondContact O-N 3.07Å |
| 206 | E | 94.5 | Very high | 89.8 | Confident | 109 Ų | 109 | 40 Ų | 40 | 51% | 0.509 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62 | -36.9 | -179.6 | -72.2 | 179.9 | -170.9 | 0 | 0 | 111.7 | S202 Q209 S210 | S202-E206 WeakPolarHBondContact O-CB 3.42Å; S202-E206 WeakPolarHBondContact O-CG 3.44Å; S202-E206 PolarHBondContact O-N 3.49Å; E206-Q209 PolarHBondContact O-N 2.9Å; E206-S210 VanDerWaalsContact O-CB 3.28Å; E206-S210 WeakPolarHBondContact O-CB 3.27Å; E206-S210 PolarHBondContact O-N 3.34Å |
| 207 | L | 92.9 | Very high | 87.6 | Confident | 62 Ų | 62 | 45.9 Ų | 45.9 | 33% | 0.325 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.1 | -49 | 174.9 | -179.9 | 57.1 | 0 | 0 | 0 | 111.2 | K159 A163 D203 A204 V205 Q209 S210 V211 | K159-L207 HydrophobicContact CB-CD1 4.25Å; K159-L207 HydrophobicContact CB-CD2 4.29Å; K159-L207 HydrophobicContact CB-CG 4.28Å; K159-L207 HydrophobicContact CD-CD1 4.11Å; K159-L207 HydrophobicContact CG-CD1 4.31Å; A163-L207 HydrophobicContact CB-CB 4.44Å; A163-L207 HydrophobicContact CB-CD2 4.18Å; A163-L207 HydrophobicContact CB-CG 4.46Å; D203-L207 WeakPolarHBondContact O-CB 3.38Å; D203-L207 PolarHBondContact O-N 3.44Å; A204-L207 PolarHBondContact O-N 3.22Å; V205-L207 VanDerWaalsContact C-N 3.29Å; V205-L207 PolarHBondContact O-N 2.91Å; L207-Q209 VanDerWaalsContact C-N 3.33Å; L207-Q209 PolarHBondContact O-N 3.49Å; L207-S210 PolarHBondContact O-N 2.92Å; L207-S210 PolarHBondContact O-OG 3.4Å; L207-V211 WeakPolarHBondContact O-CG2 3.36Å; L207-V211 PolarHBondContact O-N 3.45Å |
| 208 | I | 93.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 177.3 | -61.5 | 173.5 | 0 | 0 | 0 | 110 | F107 I160 A163 L167 A204 V205 S210 V211 F212 | F107-I208 HydrophobicContact CE1-CB 4.04Å; F107-I208 HydrophobicContact CE1-CG2 3.87Å; F107-I208 HydrophobicContact CZ-CB 4.18Å; F107-I208 HydrophobicContact CZ-CG2 3.66Å; I160-I208 HydrophobicContact CG1-CG2 4.41Å; A163-I208 HydrophobicContact CB-CD1 3.74Å; A163-I208 HydrophobicContact CB-CG1 3.4Å; L167-I208 HydrophobicContact CD1-CD1 3.65Å; A204-I208 WeakPolarHBondContact O-CG1 3.48Å; A204-I208 PolarHBondContact O-N 2.83Å; V205-I208 PolarHBondContact O-N 3.25Å; I208-S210 VanDerWaalsContact C-N 3.33Å; I208-S210 PolarHBondContact O-N 3.03Å; I208-V211 PolarHBondContact O-N 2.95Å; I208-F212 HydrophobicContact CG2-CD2 3.69Å; I208-F212 HydrophobicContact CG2-CE2 3.28Å; I208-F212 HydrophobicContact CG2-CZ 4.26Å; I208-F212 VanDerWaalsContact O-CD2 3.3Å; I208-F212 WeakPolarHBondContact O-CD2 3.39Å; I208-F212 PolarHBondContact O-N 3.32Å; I208-F212 VanDerWaalsContact O-N 3.15Å |
| 209 | Q | 91.8 | Very high | 82.6 | Confident | 51 Ų | 51 | 56.2 Ų | 56.2 | 24% | 0.238 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 179.6 | -166.7 | 178.2 | 15.8 | 0 | 0 | 111.9 | F107 V205 E206 L207 V211 F212 N213 | F107-Q209 HydrophobicContact CD1-CB 4.43Å; F107-Q209 HydrophobicContact CD2-CB 4.22Å; F107-Q209 HydrophobicContact CD2-CG 3.9Å; F107-Q209 HydrophobicContact CE1-CB 4.13Å; F107-Q209 HydrophobicContact CE2-CB 3.99Å; F107-Q209 HydrophobicContact CE2-CG 3.95Å; F107-Q209 HydrophobicContact CG-CB 4.46Å; F107-Q209 HydrophobicContact CG-CG 4.39Å; F107-Q209 HydrophobicContact CZ-CB 3.94Å; F107-Q209 HydrophobicContact CZ-CG 4.41Å; V205-Q209 WeakPolarHBondContact O-CB 3.31Å; V205-Q209 PolarHBondContact O-N 3.07Å; E206-Q209 PolarHBondContact O-N 2.9Å; L207-Q209 VanDerWaalsContact C-N 3.33Å; L207-Q209 PolarHBondContact O-N 3.49Å; Q209-V211 VanDerWaalsContact C-N 3.31Å; Q209-V211 PolarHBondContact O-N 3.25Å; Q209-F212 PolarHBondContact O-N 3.44Å; Q209-N213 WeakPolarHBondContact O-CB 3.47Å; Q209-N213 VanDerWaalsContact O-CG 3.27Å; Q209-N213 PolarHBondContact O-N 3.19Å; Q209-N213 PolarHBondContact O-ND2 3.35Å |
| 210 | S | 89.2 | Confident | 79.9 | Confident | 30 Ų | 30 | 54.9 Ų | 54.9 | 21% | 0.21 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65 | -34.4 | 178.8 | 78.6 | 0 | 0 | 0 | 0 | 113 | E206 L207 I208 G214 I215 S216 | E206-S210 VanDerWaalsContact O-CB 3.28Å; E206-S210 WeakPolarHBondContact O-CB 3.27Å; E206-S210 PolarHBondContact O-N 3.34Å; L207-S210 PolarHBondContact O-N 2.92Å; L207-S210 PolarHBondContact O-OG 3.4Å; I208-S210 VanDerWaalsContact C-N 3.33Å; I208-S210 PolarHBondContact O-N 3.03Å; S210-G214 PolarHBondContact O-N 3.28Å; S210-I215 PolarHBondContact O-N 3.1Å; S210-I215 VanDerWaalsContact O-N 3.09Å; S210-S216 PolarHBondContact O-N 3.16Å; S210-S216 VanDerWaalsContact O-N 3.16Å |
| 211 | V | 88.2 | Confident | 77.4 | Confident | 8 Ų | 8 | 61.6 Ų | 61.6 | 5% | 0.048 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.3 | -49 | 174.7 | 170.2 | 0 | 0 | 0 | 0 | 109.7 | L151 D156 K159 I160 L207 I208 Q209 N213 G214 | L151-V211 HydrophobicContact CD1-CG1 3.75Å; D156-V211 HydrophobicContact CB-CG1 3.65Å; D156-V211 HydrophobicContact CB-CG2 4.44Å; K159-V211 HydrophobicContact CB-CG2 4.11Å; K159-V211 HydrophobicContact CD-CG2 3.9Å; I160-V211 HydrophobicContact CD1-CB 4.43Å; I160-V211 HydrophobicContact CD1-CG1 3.74Å; I160-V211 HydrophobicContact CG1-CB 4.35Å; I160-V211 HydrophobicContact CG1-CG1 4.09Å; L207-V211 WeakPolarHBondContact O-CG2 3.36Å; L207-V211 PolarHBondContact O-N 3.45Å; I208-V211 PolarHBondContact O-N 2.95Å; Q209-V211 VanDerWaalsContact C-N 3.31Å; Q209-V211 PolarHBondContact O-N 3.25Å; V211-N213 PolarHBondContact O-N 2.98Å; V211-G214 PolarHBondContact O-N 2.87Å; V211-G214 VanDerWaalsContact O-N 3.12Å |
| 212 | F | 85.2 | Confident | 75 | Confident | 33 Ų | 33 | 69.5 Ų | 69.5 | 15% | 0.145 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -70.7 | -28.7 | -179.2 | -66.6 | -47.5 | 0 | 0 | 0 | 114.2 | L103 F107 R147 L151 I160 I208 Q209 G214 | L103-F212 HydrophobicContact CD2-CD2 3.44Å; L103-F212 VanDerWaalsContact CD2-CD2 3.44Å; L103-F212 HydrophobicContact CD2-CE2 3.54Å; L103-F212 HydrophobicContact CD2-CG 4.05Å; L103-F212 HydrophobicContact CD2-CZ 4.26Å; F107-F212 HydrophobicContact CE2-CD2 4.28Å; F107-F212 AromaticContact CZ-CD2 3.95Å; F107-F212 HydrophobicContact CZ-CD2 3.95Å; F107-F212 HydrophobicContact CZ-CE2 4.39Å; R147-F212 HydrophobicContact CB-CE1 3.77Å; R147-F212 HydrophobicContact CB-CZ 3.8Å; R147-F212 HydrophobicContact CG-CD1 4.17Å; R147-F212 HydrophobicContact CG-CE1 3.55Å; R147-F212 HydrophobicContact CG-CZ 4.07Å; L151-F212 HydrophobicContact CD1-CE1 4.38Å; I160-F212 HydrophobicContact CD1-CD1 4.47Å; I160-F212 HydrophobicContact CD1-CE1 3.62Å; I160-F212 HydrophobicContact CD1-CE2 4.23Å; I160-F212 HydrophobicContact CD1-CZ 3.49Å; I160-F212 VanDerWaalsContact CD1-CZ 3.49Å; I160-F212 HydrophobicContact CG1-CZ 4.43Å; I208-F212 HydrophobicContact CG2-CD2 3.69Å; I208-F212 HydrophobicContact CG2-CE2 3.28Å; I208-F212 HydrophobicContact CG2-CZ 4.26Å; I208-F212 VanDerWaalsContact O-CD2 3.3Å; I208-F212 WeakPolarHBondContact O-CD2 3.39Å; I208-F212 PolarHBondContact O-N 3.32Å; I208-F212 VanDerWaalsContact O-N 3.15Å; Q209-F212 PolarHBondContact O-N 3.44Å; F212-G214 PolarHBondContact O-N 3.34Å |
| 213 | N | 82.4 | Confident | 72.8 | Confident | 84 Ų | 84 | 75.3 Ų | 75.3 | 45% | 0.449 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -4.1 | 173.6 | -70.8 | -15.9 | 0 | 0 | 0 | 113.1 | Q209 V211 I215 | Q209-N213 WeakPolarHBondContact O-CB 3.47Å; Q209-N213 VanDerWaalsContact O-CG 3.27Å; Q209-N213 PolarHBondContact O-N 3.19Å; Q209-N213 PolarHBondContact O-ND2 3.35Å; V211-N213 PolarHBondContact O-N 2.98Å; N213-I215 HydrophobicContact CB-CD1 3.73Å; N213-I215 HydrophobicContact CB-CG1 3.82Å; N213-I215 PolarHBondContact O-N 3.27Å; N213-I215 VanDerWaalsContact O-N 3.14Å |
| 214 | G | 73.2 | Confident | 71.3 | Confident | 50 Ų | 50 | 73.2 Ų | 73.2 | 52% | 0.515 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 14.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S210 V211 F212 | S210-G214 PolarHBondContact O-N 3.28Å; V211-G214 PolarHBondContact O-N 2.87Å; V211-G214 VanDerWaalsContact O-N 3.12Å; F212-G214 PolarHBondContact O-N 3.34Å |
| 215 | I | 66.3 | Low | 69.9 | Low | 123 Ų | 123 | 74.8 Ų | 74.8 | 63% | 0.631 | 40% | 0.401 | S | S | * | . | trans | -74.2 | -25.1 | 175.8 | -59.8 | 169.3 | 0 | 0 | 0 | 109.7 | S210 N213 K217 | S210-I215 PolarHBondContact O-N 3.1Å; S210-I215 VanDerWaalsContact O-N 3.09Å; N213-I215 HydrophobicContact CB-CD1 3.73Å; N213-I215 HydrophobicContact CB-CG1 3.82Å; N213-I215 PolarHBondContact O-N 3.27Å; N213-I215 VanDerWaalsContact O-N 3.14Å; I215-K217 PolarHBondContact O-N 3.44Å | ||
| 216 | S | 55.6 | Low | 69.3 | Low | 29 Ų | 29 | 74.8 Ų | 74.8 | 20% | 0.203 | 40% | 0.401 | C | S | . | . | trans | -67.1 | 66.2 | 167.3 | -138.5 | 0 | 0 | 0 | 0 | 110.3 | K159 S210 S218 | K159-S216 PolarHBondContact NZ-OG 3.3Å; S210-S216 PolarHBondContact O-N 3.16Å; S210-S216 VanDerWaalsContact O-N 3.16Å; S216-S218 PolarHBondContact O-N 2.91Å | ||
| 217 | K | 50.7 | Low | 68.9 | Low | 160 Ų | 160 | 69.6 Ų | 69.6 | 70% | 0.696 | 38% | 0.377 | S | S | * | . | trans | -64 | 102.3 | 169.1 | -68.6 | -176.7 | -179.2 | 177.9 | 0 | 106.3 | I215 N219 | I215-K217 PolarHBondContact O-N 3.44Å; K217-N219 HydrophobicContact CB-CB 4.48Å; K217-N219 PolarHBondContact O-N 3.2Å | ||
| 218 | S | 49.2 | Very low | 68.7 | Low | 71 Ų | 71 | 72 Ų | 72 | 50% | 0.497 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 19.1 | 170.2 | 54.2 | 0 | 0 | 0 | 0 | 114 | D153 S216 G220 | D153-S218 PolarHBondContact OD2-OG 3.12Å; S216-S218 PolarHBondContact O-N 2.91Å; S218-G220 PolarHBondContact O-N 2.85Å |
| 219 | N | 41.6 | Very low | 68.7 | Low | 147 Ų | 147 | 72.1 Ų | 72.1 | 79% | 0.786 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -8.7 | 164 | -71.5 | -3.8 | 0 | 0 | 0 | 112.6 | K217 I221 | K217-N219 HydrophobicContact CB-CB 4.48Å; K217-N219 PolarHBondContact O-N 3.2Å; N219-I221 PolarHBondContact O-N 2.89Å |
| 220 | G | 40.7 | Very low | 68.4 | Low | 54 Ų | 54 | 70.4 Ų | 70.4 | 56% | 0.557 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -61.8 | 124.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | S218 R222 | S218-G220 PolarHBondContact O-N 2.85Å; G220-R222 PolarHBondContact O-N 3.16Å |
| 221 | I | 43.2 | Very low | 68.3 | Low | 152 Ų | 152 | 73 Ų | 73 | 78% | 0.779 | 39% | 0.387 | S | S | * | . | trans | -38.7 | 119.8 | 170.3 | -63.6 | 163.1 | 0 | 0 | 0 | 108.2 | N219 L223 | N219-I221 PolarHBondContact O-N 2.89Å; I221-L223 VanDerWaalsContact C-N 3.34Å; I221-L223 PolarHBondContact O-N 2.96Å | ||
| 222 | R | 47.8 | Very low | 68.4 | Low | 167 Ų | 167 | 72.8 Ų | 72.8 | 63% | 0.63 | 39% | 0.386 | S | S | * | . | trans | -54.9 | 96.5 | 177.2 | -177 | -178.5 | -179.6 | -166.7 | -1.2 | 108.6 | G220 R224 | G220-R222 PolarHBondContact O-N 3.16Å; R222-R224 PolarHBondContact O-N 3.07Å | ||
| 223 | L | 52.5 | Low | 68.5 | Low | 146 Ų | 146 | 71.3 Ų | 71.3 | 76% | 0.764 | 38% | 0.38 | S | S | * | . | trans | -79.4 | 81.3 | 176.6 | -80.3 | 161.4 | 0 | 0 | 0 | 107.7 | I221 T225 | I221-L223 VanDerWaalsContact C-N 3.34Å; I221-L223 PolarHBondContact O-N 2.96Å; L223-T225 PolarHBondContact O-N 3.32Å | ||
| 224 | R | 64.6 | Low | 68.5 | Low | 57 Ų | 57 | 70 Ų | 70 | 22% | 0.215 | 37% | 0.372 | C | S | . | . | trans | -55.8 | 124.1 | 172.3 | -157.4 | -173.5 | -174 | -125.8 | -24.3 | 109 | R222 S226 K228 E231 E392 | R222-R224 PolarHBondContact O-N 3.07Å; R224-S226 WeakPolarHBondContact CD-O 3.35Å; R224-S226 PolarHBondContact NH1-O 3.48Å; R224-S226 PolarHBondContact NH2-OG 3Å; R224-K228 WeakPolarHBondContact O-CE 3.42Å; R224-E231 WeakPolarHBondContact CD-OE1 3.21Å; R224-E231 IonicContact CZ-OE1 3.8Å; R224-E231 IonicContact NE-OE1 2.72Å; R224-E231 IonicContact NH1-OE1 2.69Å; R224-E231 PolarHBondContact NH1-OE1 3.44Å; R224-E392 WeakPolarHBondContact CD-OE1 3.43Å; R224-E392 WeakPolarHBondContact CG-OE1 3.4Å; R224-E392 WeakPolarHBondContact CG-OE2 3.5Å; R224-E392 IonicContact CZ-OE1 3.65Å; R224-E392 IonicContact NE-OE1 3.45Å; R224-E392 PolarHBondContact NE-OE1 2.79Å; R224-E392 IonicContact NH2-OE1 3.28Å; R224-E392 PolarHBondContact NH2-OE1 3.39Å | ||
| 225 | T | 68.5 | Low | 69 | Low | 38 Ų | 38 | 70.8 Ų | 70.8 | 23% | 0.233 | 36% | 0.363 | C | S | . | . | trans | -86.8 | -27.2 | 177 | 49.8 | 0 | 0 | 0 | 0 | 111.9 | L223 | L223-T225 PolarHBondContact O-N 3.32Š| ||
| 226 | S | 84.1 | Confident | 70.1 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -89.4 | 156 | 178.3 | 96.2 | 0 | 0 | 0 | 0 | 113.6 | R224 K228 C386 S389 E392 C395 | R224-S226 WeakPolarHBondContact CD-O 3.35Å; R224-S226 PolarHBondContact NH1-O 3.48Å; R224-S226 PolarHBondContact NH2-OG 3Å; S226-K228 VanDerWaalsContact C-N 3.32Å; S226-K228 PolarHBondContact O-N 2.7Å; S226-C386 CarbonylContact C-O 3.5Å; S226-C386 VanDerWaalsContact CA-O 3.3Å; S226-C386 WeakPolarHBondContact CA-O 3.25Å; S226-S389 PolarHBondContact OG-O 3.01Å; S226-E392 WeakPolarHBondContact CB-OE1 3.43Å; S226-E392 PolarHBondContact OG-OE1 2.93Å; S226-C395 WeakPolarHBondContact CB-SG 3.17Å |
| 227 | G | 86.7 | Confident | 71.5 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | trans | 72.4 | 12.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | L229 L230 E231 C386 L387 S389 | G227-L229 VanDerWaalsContact C-N 3.3Å; G227-L229 PolarHBondContact O-N 3.37Å; G227-L230 CarbonylContact O-C 3.58Å; G227-L230 WeakPolarHBondContact O-CA 3.35Å; G227-L230 WeakPolarHBondContact O-CB 3.36Å; G227-L230 PolarHBondContact O-N 3.36Å; G227-E231 WeakPolarHBondContact O-CG 3.41Å; G227-E231 PolarHBondContact O-N 3.22Å; G227-C386 PolarHBondContact N-O 3.39Å; G227-L387 CarbonylContact C-O 3.5Å; G227-L387 VanDerWaalsContact C-O 3.23Å; G227-L387 VanDerWaalsContact CA-O 3.25Å; G227-L387 WeakPolarHBondContact CA-O 3.41Å; G227-S389 WeakPolarHBondContact CA-O 3.5Å; G227-S389 PolarHBondContact N-O 3.46Å | ||
| 228 | K | 88 | Confident | 72.9 | Confident | 111 Ų | 111 | 63.1 Ų | 63.1 | 48% | 0.483 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.4 | -37.2 | -178.1 | -66.6 | -176.9 | -179.4 | 176.2 | 0 | 113.7 | R224 S226 A232 L387 | R224-K228 WeakPolarHBondContact O-CE 3.42Å; S226-K228 VanDerWaalsContact C-N 3.32Å; S226-K228 PolarHBondContact O-N 2.7Å; K228-A232 PolarHBondContact O-N 3.13Å; K228-L387 HydrophobicContact CB-CD2 4.06Å; K228-L387 HydrophobicContact CD-CD2 4.49Å; K228-L387 PolarHBondContact N-O 3.35Å |
| 229 | L | 92.7 | Very high | 74.4 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -76.6 | -34.2 | 175.6 | 178.6 | 56.1 | 0 | 0 | 0 | 110.8 | G227 E231 A232 L233 L263 V267 L270 L330 L387 L388 | G227-L229 VanDerWaalsContact C-N 3.3Å; G227-L229 PolarHBondContact O-N 3.37Å; L229-E231 VanDerWaalsContact C-N 3.32Å; L229-E231 PolarHBondContact O-N 2.63Å; L229-A232 PolarHBondContact O-N 3.01Å; L229-L233 PolarHBondContact O-N 3.01Å; L229-L263 HydrophobicContact CD1-CD1 4.17Å; L229-V267 HydrophobicContact CD1-CG2 4.04Å; L229-L270 HydrophobicContact CD2-CD2 3.6Å; L229-L330 HydrophobicContact CD2-CD1 4.28Å; L229-L387 HydrophobicContact CB-CB 3.98Å; L229-L387 WeakPolarHBondContact CB-O 3.47Å; L229-L387 PolarHBondContact N-O 2.8Å; L229-L388 HydrophobicContact CB-CD2 4.11Å; L229-L388 HydrophobicContact CD2-CD2 3.73Å; L229-L388 HydrophobicContact CD2-CG 4.15Å; L229-L388 HydrophobicContact CG-CD2 3.83Å |
| 230 | L | 86.8 | Confident | 76.2 | Confident | 14 Ų | 14 | 52.9 Ų | 52.9 | 7% | 0.073 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 171.9 | -173.7 | 64.9 | 0 | 0 | 0 | 112 | G227 A232 L233 D234 K327 L387 T390 | G227-L230 CarbonylContact O-C 3.58Å; G227-L230 WeakPolarHBondContact O-CA 3.35Å; G227-L230 WeakPolarHBondContact O-CB 3.36Å; G227-L230 PolarHBondContact O-N 3.36Å; L230-A232 VanDerWaalsContact C-N 3.32Å; L230-A232 PolarHBondContact O-N 3.48Å; L230-L233 HydrophobicContact CD1-CD1 4.44Å; L230-L233 WeakPolarHBondContact O-CB 3.15Å; L230-L233 PolarHBondContact O-N 3.14Å; L230-D234 WeakPolarHBondContact O-CB 3.35Å; L230-D234 VanDerWaalsContact O-CG 3.26Å; L230-D234 PolarHBondContact O-N 3.39Å; L230-K327 HydrophobicContact CD1-CD 4.06Å; L230-K327 VanDerWaalsContact CD1-CE 3.4Å; L230-L387 PolarHBondContact N-O 3.04Å; L230-T390 HydrophobicContact CD2-CG2 3.26Å |
| 231 | E | 86.2 | Confident | 77.7 | Confident | 84 Ų | 84 | 55.9 Ų | 55.9 | 39% | 0.393 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 174 | -75.4 | 169.1 | -167.5 | 0 | 0 | 111.7 | R224 G227 L229 D234 E235 | R224-E231 WeakPolarHBondContact CD-OE1 3.21Å; R224-E231 IonicContact CZ-OE1 3.8Å; R224-E231 IonicContact NE-OE1 2.72Å; R224-E231 IonicContact NH1-OE1 2.69Å; R224-E231 PolarHBondContact NH1-OE1 3.44Å; G227-E231 WeakPolarHBondContact O-CG 3.41Å; G227-E231 PolarHBondContact O-N 3.22Å; L229-E231 VanDerWaalsContact C-N 3.32Å; L229-E231 PolarHBondContact O-N 2.63Å; E231-D234 PolarHBondContact O-N 3.34Å; E231-E235 WeakPolarHBondContact O-CB 3.37Å; E231-E235 PolarHBondContact O-N 2.73Å |
| 232 | A | 89.6 | Confident | 78.9 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.2 | -36 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K228 L229 L230 F236 L263 | K228-A232 PolarHBondContact O-N 3.13Å; L229-A232 PolarHBondContact O-N 3.01Å; L230-A232 VanDerWaalsContact C-N 3.32Å; L230-A232 PolarHBondContact O-N 3.48Å; A232-F236 PolarHBondContact O-N 3.42Å; A232-F236 VanDerWaalsContact O-N 3.15Å; A232-L263 HydrophobicContact CB-CD1 4.25Å |
| 233 | L | 88.6 | Confident | 79.4 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.4 | -51.1 | 172.4 | -73.9 | 163.7 | 0 | 0 | 0 | 110.6 | L229 L230 E235 F236 E237 L263 I323 K327 | L229-L233 PolarHBondContact O-N 3.01Å; L230-L233 HydrophobicContact CD1-CD1 4.44Å; L230-L233 WeakPolarHBondContact O-CB 3.15Å; L230-L233 PolarHBondContact O-N 3.14Å; L233-E235 VanDerWaalsContact C-N 3.32Å; L233-E235 PolarHBondContact O-N 2.95Å; L233-F236 PolarHBondContact O-N 3.48Å; L233-E237 WeakPolarHBondContact O-CB 3.21Å; L233-E237 PolarHBondContact O-N 2.71Å; L233-L263 HydrophobicContact CB-CD1 4.49Å; L233-L263 HydrophobicContact CD2-CD1 3.53Å; L233-L263 HydrophobicContact CD2-CD2 3.96Å; L233-L263 HydrophobicContact CD2-CG 4.39Å; L233-L263 HydrophobicContact CG-CD1 3.72Å; L233-I323 HydrophobicContact CD2-CG2 4.15Å; L233-K327 HydrophobicContact CD1-CB 4.02Å; L233-K327 HydrophobicContact CD1-CD 4.4Å; L233-K327 HydrophobicContact CD1-CG 4.02Å |
| 234 | D | 82.4 | Confident | 79.7 | Confident | 56 Ų | 56 | 45 Ų | 45 | 30% | 0.299 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.5 | -38.5 | 179.8 | -69.8 | -6.1 | 0 | 0 | 0 | 111.1 | L230 E231 E237 N238 | L230-D234 WeakPolarHBondContact O-CB 3.35Å; L230-D234 VanDerWaalsContact O-CG 3.26Å; L230-D234 PolarHBondContact O-N 3.39Å; E231-D234 PolarHBondContact O-N 3.34Å; D234-E237 PolarHBondContact O-N 2.82Å; D234-N238 VanDerWaalsContact O-CB 3.28Å; D234-N238 WeakPolarHBondContact O-CB 3.41Å; D234-N238 PolarHBondContact O-N 3.29Å; D234-N238 PolarHBondContact O-ND2 2.93Å |
| 235 | E | 83.2 | Confident | 79.3 | Confident | 68 Ų | 68 | 48 Ų | 48 | 32% | 0.318 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.1 | -38.5 | 177.6 | -169.9 | 176.1 | 163.2 | 0 | 0 | 111.8 | E231 L233 S239 R262 | E231-E235 WeakPolarHBondContact O-CB 3.37Å; E231-E235 PolarHBondContact O-N 2.73Å; L233-E235 VanDerWaalsContact C-N 3.32Å; L233-E235 PolarHBondContact O-N 2.95Å; E235-S239 WeakPolarHBondContact O-CB 3.47Å; E235-S239 PolarHBondContact O-N 3.1Å; E235-R262 VanDerWaalsContact CD-NH1 3.28Å; E235-R262 IonicContact OE1-CZ 3.89Å; E235-R262 IonicContact OE1-NH1 3.94Å; E235-R262 PolarHBondContact OE1-NH1 3.06Å; E235-R262 IonicContact OE1-NH2 2.77Å; E235-R262 PolarHBondContact OE1-NH2 2.83Å; E235-R262 IonicContact OE2-CZ 3.32Å; E235-R262 IonicContact OE2-NE 2.61Å; E235-R262 PolarHBondContact OE2-NE 3.33Å; E235-R262 IonicContact OE2-NH1 2.57Å; E235-R262 PolarHBondContact OE2-NH1 3.33Å; E235-R262 IonicContact OE2-NH2 2.83Å; E235-R262 PolarHBondContact OE2-NH2 3.31Å |
| 236 | F | 88.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.3 | -47.9 | 171.5 | 178.9 | -105.9 | 0 | 0 | 0 | 111 | A232 L233 N238 S239 L240 I256 S259 L260 L263 L291 T295 I323 | A232-F236 PolarHBondContact O-N 3.42Å; A232-F236 VanDerWaalsContact O-N 3.15Å; L233-F236 PolarHBondContact O-N 3.48Å; F236-N238 PolarHBondContact O-N 2.84Å; F236-S239 WeakPolarHBondContact O-CB 3.18Å; F236-S239 PolarHBondContact O-N 3.32Å; F236-S239 VanDerWaalsContact O-N 3.14Å; F236-S239 PolarHBondContact O-OG 2.93Å; F236-L240 HydrophobicContact CE1-CD1 4.37Å; F236-L240 HydrophobicContact CE1-CD2 4.33Å; F236-L240 HydrophobicContact CE2-CD2 4.3Å; F236-L240 HydrophobicContact CZ-CD2 3.97Å; F236-L240 WeakPolarHBondContact O-CG 3.04Å; F236-L240 PolarHBondContact O-N 3.44Å; F236-I256 HydrophobicContact CE2-CG2 4.13Å; F236-S259 WeakPolarHBondContact CD2-OG 3.36Å; F236-L260 HydrophobicContact CD2-CB 3.9Å; F236-L260 HydrophobicContact CD2-CD1 4.41Å; F236-L260 HydrophobicContact CE2-CB 3.66Å; F236-L260 HydrophobicContact CE2-CD1 4.01Å; F236-L260 HydrophobicContact CE2-CG 4.32Å; F236-L260 HydrophobicContact CZ-CD1 4.18Å; F236-L263 HydrophobicContact CB-CD2 3.9Å; F236-L263 HydrophobicContact CD1-CD2 4Å; F236-L263 HydrophobicContact CG-CD2 3.98Å; F236-L291 HydrophobicContact CE1-CD1 3.66Å; F236-L291 HydrophobicContact CE1-CD2 4.46Å; F236-L291 HydrophobicContact CE1-CG 4.28Å; F236-L291 HydrophobicContact CZ-CD1 4.16Å; F236-L291 HydrophobicContact CZ-CG 4.48Å; F236-T295 HydrophobicContact CE2-CG2 4.28Å; F236-T295 HydrophobicContact CZ-CG2 4.35Å; F236-T295 WeakPolarHBondContact CZ-OG1 3.17Å; F236-I323 HydrophobicContact CD1-CD1 3.52Å; F236-I323 HydrophobicContact CD1-CG1 3.94Å; F236-I323 HydrophobicContact CE1-CD1 3.62Å; F236-I323 HydrophobicContact CE1-CG1 3.99Å |
| 237 | E | 85.6 | Confident | 77.1 | Confident | 56 Ų | 56 | 65.3 Ų | 65.3 | 26% | 0.262 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.8 | -49.2 | 176.5 | 178.7 | 173.4 | 172.7 | 0 | 0 | 112 | L233 D234 S239 L240 F241 L320 I323 | L233-E237 WeakPolarHBondContact O-CB 3.21Å; L233-E237 PolarHBondContact O-N 2.71Å; D234-E237 PolarHBondContact O-N 2.82Å; E237-S239 VanDerWaalsContact C-N 3.25Å; E237-S239 PolarHBondContact O-N 3.29Å; E237-L240 VanDerWaalsContact O-CB 3.28Å; E237-L240 WeakPolarHBondContact O-CB 3.49Å; E237-L240 WeakPolarHBondContact O-CG 3.29Å; E237-L240 PolarHBondContact O-N 3.11Å; E237-L240 VanDerWaalsContact O-N 3.07Å; E237-F241 HydrophobicContact CG-CE2 3.94Å; E237-F241 VanDerWaalsContact O-CD2 3.24Å; E237-F241 WeakPolarHBondContact O-CD2 3.33Å; E237-L320 HydrophobicContact CG-CD2 3.64Å; E237-I323 HydrophobicContact CB-CD1 4.27Å |
| 238 | N | 80.1 | Confident | 75.9 | Confident | 95 Ų | 95 | 67 Ų | 67 | 51% | 0.508 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.5 | -33.2 | 178.3 | -72.7 | -49.4 | 0 | 0 | 0 | 112.1 | D234 F236 L240 F241 | D234-N238 VanDerWaalsContact O-CB 3.28Å; D234-N238 WeakPolarHBondContact O-CB 3.41Å; D234-N238 PolarHBondContact O-N 3.29Å; D234-N238 PolarHBondContact O-ND2 2.93Å; F236-N238 PolarHBondContact O-N 2.84Å; N238-L240 PolarHBondContact O-N 3.19Å; N238-F241 PolarHBondContact O-N 3.26Å |
| 239 | S | 80.1 | Confident | 75.1 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.007 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63 | -26.3 | 177.2 | 75.7 | 0 | 0 | 0 | 0 | 112.7 | E235 F236 E237 F241 T242 S259 | E235-S239 WeakPolarHBondContact O-CB 3.47Å; E235-S239 PolarHBondContact O-N 3.1Å; F236-S239 WeakPolarHBondContact O-CB 3.18Å; F236-S239 PolarHBondContact O-N 3.32Å; F236-S239 VanDerWaalsContact O-N 3.14Å; F236-S239 PolarHBondContact O-OG 2.93Å; E237-S239 VanDerWaalsContact C-N 3.25Å; E237-S239 PolarHBondContact O-N 3.29Å; S239-F241 VanDerWaalsContact C-N 3.29Å; S239-F241 PolarHBondContact O-N 2.97Å; S239-T242 PolarHBondContact O-OG1 3.34Å; S239-S259 PolarHBondContact OG-OG 2.88Å |
| 240 | L | 81.1 | Confident | 74.5 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -23.4 | 177.7 | -52.5 | -178.3 | 0 | 0 | 0 | 113.4 | F236 E237 N238 I256 L298 I316 L319 L320 I323 | F236-L240 HydrophobicContact CE1-CD1 4.37Å; F236-L240 HydrophobicContact CE1-CD2 4.33Å; F236-L240 HydrophobicContact CE2-CD2 4.3Å; F236-L240 HydrophobicContact CZ-CD2 3.97Å; F236-L240 WeakPolarHBondContact O-CG 3.04Å; F236-L240 PolarHBondContact O-N 3.44Å; E237-L240 VanDerWaalsContact O-CB 3.28Å; E237-L240 WeakPolarHBondContact O-CB 3.49Å; E237-L240 WeakPolarHBondContact O-CG 3.29Å; E237-L240 PolarHBondContact O-N 3.11Å; E237-L240 VanDerWaalsContact O-N 3.07Å; N238-L240 PolarHBondContact O-N 3.19Å; L240-I256 HydrophobicContact CD2-CG2 4.38Å; L240-L298 HydrophobicContact CD2-CD2 3.79Å; L240-I316 HydrophobicContact CB-CG1 4.49Å; L240-I316 HydrophobicContact CB-CG2 4.33Å; L240-I316 WeakPolarHBondContact O-CD1 2.98Å; L240-L319 HydrophobicContact CD1-CB 3.81Å; L240-L319 HydrophobicContact CD1-CD1 4.11Å; L240-L319 HydrophobicContact CD2-CD1 3.84Å; L240-L320 HydrophobicContact CD1-CD2 4.31Å; L240-I323 HydrophobicContact CD1-CD1 3.99Å |
| 241 | F | 71.8 | Confident | 74.2 | Confident | 118 Ų | 118 | 72.7 Ų | 72.7 | 52% | 0.518 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 8.8 | -177.2 | -59.6 | -75 | 0 | 0 | 0 | 113.6 | E237 N238 S239 N243 I316 L320 | E237-F241 HydrophobicContact CG-CE2 3.94Å; E237-F241 VanDerWaalsContact O-CD2 3.24Å; E237-F241 WeakPolarHBondContact O-CD2 3.33Å; N238-F241 PolarHBondContact O-N 3.26Å; S239-F241 VanDerWaalsContact C-N 3.29Å; S239-F241 PolarHBondContact O-N 2.97Å; F241-N243 PolarHBondContact O-N 3.5Å; F241-I316 HydrophobicContact CE1-CG2 4.1Å; F241-I316 HydrophobicContact CZ-CG2 4.39Å; F241-L320 HydrophobicContact CE1-CD1 4.46Å; F241-L320 HydrophobicContact CE2-CD2 4.15Å; F241-L320 HydrophobicContact CZ-CD1 3.79Å; F241-L320 HydrophobicContact CZ-CD2 4.01Å; F241-L320 HydrophobicContact CZ-CG 4.46Å |
| 242 | T | 67.7 | Low | 73.9 | Confident | 56 Ų | 56 | 69.1 Ų | 69.1 | 34% | 0.344 | 35% | 0.352 | S | S | . | . | trans | -68.9 | 119 | 179.7 | -49.4 | 0 | 0 | 0 | 0 | 109.9 | S239 P244 I252 | S239-T242 PolarHBondContact O-OG1 3.34Å; T242-P244 WeakPolarHBondContact O-CD 3.41Å; T242-I252 HydrophobicContact CG2-CD1 4.3Å; T242-I252 HydrophobicContact CG2-CG1 4.06Å | ||
| 243 | N | 59.3 | Low | 73.7 | Confident | 139 Ų | 139 | 70.4 Ų | 70.4 | 74% | 0.743 | 36% | 0.357 | S | S | * | . | trans | -65.6 | 124.4 | -174 | -126.1 | -19.5 | 0 | 0 | 0 | 110.9 | F241 D245 | F241-N243 PolarHBondContact O-N 3.5Å; N243-D245 PolarHBondContact O-N 2.87Å | ||
| 244 | P | 58.5 | Low | 73.6 | Confident | 40 Ų | 40 | 75 Ų | 75 | 26% | 0.26 | 38% | 0.378 | S | S | . | . | trans | -75.4 | 88.3 | 177.3 | 29.9 | -32.6 | 0 | 0 | 0 | 110.5 | T242 Q246 I252 Y302 I307 | T242-P244 WeakPolarHBondContact O-CD 3.41Å; P244-Q246 PolarHBondContact O-N 2.87Å; P244-I252 VanDerWaalsContact CA-CD1 3.49Å; P244-I252 HydrophobicContact CB-CD1 4.07Å; P244-Y302 HydrophobicContact CG-CE1 4.33Å; P244-I307 HydrophobicContact CB-CD1 4.04Å; P244-I307 HydrophobicContact CG-CD1 4.22Å | ||
| 245 | D | 56.2 | Low | 73.8 | Confident | 120 Ų | 120 | 76.2 Ų | 76.2 | 64% | 0.642 | 38% | 0.382 | S | S | * | . | trans | -61.7 | 125.2 | 157.7 | -82.2 | -16.9 | 0 | 0 | 0 | 107.5 | N243 K247 S248 | N243-D245 PolarHBondContact O-N 2.87Å; D245-K247 PolarHBondContact O-N 3.19Å; D245-S248 PolarHBondContact O-N 2.76Å; D245-S248 PolarHBondContact O-OG 2.97Å | ||
| 246 | Q | 51.9 | Low | 74.1 | Confident | 189 Ų | 189 | 73 Ų | 73 | 88% | 0.883 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -19.1 | -171.8 | -71.6 | -179.1 | -13.3 | 0 | 0 | 115.2 | P244 | P244-Q246 PolarHBondContact O-N 2.87Š|
| 247 | K | 53.7 | Low | 74.3 | Confident | 213 Ų | 213 | 77 Ų | 77 | 93% | 0.926 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -4.9 | 180 | -68.8 | -175 | 178.1 | 179.5 | 0 | 115 | D245 | D245-K247 PolarHBondContact O-N 3.19Š|
| 248 | S | 62 | Low | 74.6 | Confident | 37 Ų | 37 | 77.6 Ų | 77.6 | 26% | 0.259 | 40% | 0.396 | S | S | . | . | trans | -132 | 18.5 | -169.3 | 75.2 | 0 | 0 | 0 | 0 | 116.4 | D245 V250 H251 I252 | D245-S248 PolarHBondContact O-N 2.76Å; D245-S248 PolarHBondContact O-OG 2.97Å; S248-V250 PolarHBondContact O-N 3.29Å; S248-V250 VanDerWaalsContact O-N 3.11Å; S248-H251 PolarHBondContact O-N 3.34Å; S248-I252 PolarHBondContact O-N 3.08Å | ||
| 249 | T | 70.3 | Confident | 75.2 | Confident | 36 Ų | 36 | 73.1 Ų | 73.1 | 22% | 0.221 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -53.9 | -36.2 | -177.9 | 51.4 | 0 | 0 | 0 | 0 | 113.4 | H251 I252 Q253 I307 | T249-H251 PolarHBondContact O-N 2.64Å; T249-I252 PolarHBondContact O-N 3.49Å; T249-Q253 VanDerWaalsContact O-CG 3.27Å; T249-Q253 WeakPolarHBondContact O-CG 3.39Å; T249-Q253 PolarHBondContact O-N 3.49Å; T249-I307 HydrophobicContact CG2-CD1 4.28Å |
| 250 | V | 80.5 | Confident | 76 | Confident | 83 Ų | 83 | 73.8 Ų | 73.8 | 50% | 0.503 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 176.4 | -179.9 | 0 | 0 | 0 | 0 | 111.9 | S248 I252 Q253 E254 | S248-V250 PolarHBondContact O-N 3.29Å; S248-V250 VanDerWaalsContact O-N 3.11Å; V250-I252 VanDerWaalsContact C-N 3.33Å; V250-I252 PolarHBondContact O-N 2.86Å; V250-Q253 PolarHBondContact O-N 3.26Å; V250-E254 WeakPolarHBondContact O-CG 3.43Å; V250-E254 PolarHBondContact O-N 3.4Å |
| 251 | H | 80.2 | Confident | 76.7 | Confident | 129 Ų | 129 | 80.6 Ų | 80.6 | 60% | 0.597 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -67.1 | -35.5 | -179.7 | -72.1 | -50.4 | 0 | 0 | 0 | 112.5 | S248 T249 E254 H255 | S248-H251 PolarHBondContact O-N 3.34Å; T249-H251 PolarHBondContact O-N 2.64Å; H251-E254 IonicContact ND1-OE2 2.66Å; H251-E254 PolarHBondContact ND1-OE2 3.33Å; H251-E254 PolarHBondContact O-N 3.37Å; H251-H255 VanDerWaalsContact O-CB 3.3Å; H251-H255 WeakPolarHBondContact O-CB 3.34Å; H251-H255 PolarHBondContact O-N 3.42Å |
| 252 | I | 79.7 | Confident | 77.8 | Confident | 9 Ų | 9 | 80 Ų | 80 | 5% | 0.046 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.3 | -44.5 | 175.9 | -62.7 | 171.6 | 0 | 0 | 0 | 110 | T242 P244 S248 T249 V250 H255 I256 Y302 | T242-I252 HydrophobicContact CG2-CD1 4.3Å; T242-I252 HydrophobicContact CG2-CG1 4.06Å; P244-I252 VanDerWaalsContact CA-CD1 3.49Å; P244-I252 HydrophobicContact CB-CD1 4.07Å; S248-I252 PolarHBondContact O-N 3.08Å; T249-I252 PolarHBondContact O-N 3.49Å; V250-I252 VanDerWaalsContact C-N 3.33Å; V250-I252 PolarHBondContact O-N 2.86Å; I252-H255 PolarHBondContact O-N 3.23Å; I252-I256 HydrophobicContact CG2-CD1 3.85Å; I252-I256 HydrophobicContact CG2-CG1 4.47Å; I252-I256 WeakPolarHBondContact O-CG1 3.47Å; I252-I256 PolarHBondContact O-N 3.04Å; I252-Y302 HydrophobicContact CG2-CE2 4.35Å |
| 253 | Q | 86.2 | Confident | 79.2 | Confident | 31 Ų | 31 | 77.3 Ų | 77.3 | 15% | 0.145 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 175.8 | -69 | 169.6 | -17.8 | 0 | 0 | 111.8 | T249 V250 H255 I256 Q257 I299 Y302 | T249-Q253 VanDerWaalsContact O-CG 3.27Å; T249-Q253 WeakPolarHBondContact O-CG 3.39Å; T249-Q253 PolarHBondContact O-N 3.49Å; V250-Q253 PolarHBondContact O-N 3.26Å; Q253-H255 VanDerWaalsContact C-N 3.3Å; Q253-H255 PolarHBondContact O-N 2.84Å; Q253-I256 PolarHBondContact O-N 3.44Å; Q253-Q257 WeakPolarHBondContact O-CB 3.44Å; Q253-Q257 WeakPolarHBondContact O-CG 3.21Å; Q253-Q257 PolarHBondContact O-N 3.4Å; Q253-I299 HydrophobicContact CB-CG2 4.26Å; Q253-I299 HydrophobicContact CG-CG2 3.97Å; Q253-I299 PolarHBondContact NE2-O 3.27Å; Q253-Y302 VanDerWaalsContact NE2-C 3.34Å |
| 254 | E | 87.6 | Confident | 81 | Confident | 99 Ų | 99 | 71.5 Ų | 71.5 | 46% | 0.463 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.5 | -39.9 | 176 | -73.8 | 176.8 | 162.7 | 0 | 0 | 111.9 | V250 H251 S258 | V250-E254 WeakPolarHBondContact O-CG 3.43Å; V250-E254 PolarHBondContact O-N 3.4Å; H251-E254 IonicContact ND1-OE2 2.66Å; H251-E254 PolarHBondContact ND1-OE2 3.33Å; H251-E254 PolarHBondContact O-N 3.37Å; E254-S258 VanDerWaalsContact O-CB 3.25Å; E254-S258 WeakPolarHBondContact O-CB 3.1Å; E254-S258 PolarHBondContact O-N 3.38Å; E254-S258 PolarHBondContact O-OG 3.38Å |
| 255 | H | 86.5 | Confident | 82.8 | Confident | 80 Ų | 80 | 73.5 Ų | 73.5 | 37% | 0.37 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66 | -48.5 | 178.5 | -174.9 | 57.3 | 0 | 0 | 0 | 111.9 | H251 I252 Q253 Q257 S258 S259 | H251-H255 VanDerWaalsContact O-CB 3.3Å; H251-H255 WeakPolarHBondContact O-CB 3.34Å; H251-H255 PolarHBondContact O-N 3.42Å; I252-H255 PolarHBondContact O-N 3.23Å; Q253-H255 VanDerWaalsContact C-N 3.3Å; Q253-H255 PolarHBondContact O-N 2.84Å; H255-Q257 VanDerWaalsContact C-N 3.34Å; H255-Q257 PolarHBondContact O-N 2.9Å; H255-S258 PolarHBondContact O-N 2.86Å; H255-S259 WeakPolarHBondContact O-CB 3.38Å; H255-S259 PolarHBondContact O-N 2.89Å; H255-S259 PolarHBondContact O-OG 3.26Å |
| 256 | I | 89.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 176.4 | -66.9 | 168.5 | 0 | 0 | 0 | 110.9 | F236 L240 I252 Q253 S258 S259 L260 T295 L298 Y302 | F236-I256 HydrophobicContact CE2-CG2 4.13Å; L240-I256 HydrophobicContact CD2-CG2 4.38Å; I252-I256 HydrophobicContact CG2-CD1 3.85Å; I252-I256 HydrophobicContact CG2-CG1 4.47Å; I252-I256 WeakPolarHBondContact O-CG1 3.47Å; I252-I256 PolarHBondContact O-N 3.04Å; Q253-I256 PolarHBondContact O-N 3.44Å; I256-S258 VanDerWaalsContact C-N 3.34Å; I256-S258 PolarHBondContact O-N 2.9Å; I256-S259 WeakPolarHBondContact CA-OG 3.43Å; I256-S259 PolarHBondContact O-OG 3.41Å; I256-L260 WeakPolarHBondContact O-CB 3.42Å; I256-L260 PolarHBondContact O-N 2.92Å; I256-T295 HydrophobicContact CG2-CG2 3.5Å; I256-L298 HydrophobicContact CD1-CD2 4.2Å; I256-Y302 HydrophobicContact CD1-CD2 4.26Å; I256-Y302 HydrophobicContact CD1-CE2 3.77Å |
| 257 | Q | 92.3 | Very high | 86.7 | Confident | 84 Ų | 84 | 60.7 Ų | 60.7 | 39% | 0.393 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 176.9 | -74.3 | -176.5 | -16.6 | 0 | 0 | 112.3 | Q253 H255 K261 I299 | Q253-Q257 WeakPolarHBondContact O-CB 3.44Å; Q253-Q257 WeakPolarHBondContact O-CG 3.21Å; Q253-Q257 PolarHBondContact O-N 3.4Å; H255-Q257 VanDerWaalsContact C-N 3.34Å; H255-Q257 PolarHBondContact O-N 2.9Å; Q257-K261 WeakPolarHBondContact O-CB 3.36Å; Q257-K261 VanDerWaalsContact O-CG 3.27Å; Q257-K261 WeakPolarHBondContact O-CG 3.31Å; Q257-K261 PolarHBondContact O-N 2.8Å; Q257-I299 HydrophobicContact CG-CD1 3.35Å; Q257-I299 HydrophobicContact CG-CG1 4.49Å |
| 258 | S | 92.3 | Very high | 88.6 | Confident | 69 Ų | 69 | 53.3 Ų | 53.3 | 48% | 0.483 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.6 | -42.8 | 180 | -61.4 | 0 | 0 | 0 | 0 | 111.7 | E254 H255 I256 K261 R262 | E254-S258 VanDerWaalsContact O-CB 3.25Å; E254-S258 WeakPolarHBondContact O-CB 3.1Å; E254-S258 PolarHBondContact O-N 3.38Å; E254-S258 PolarHBondContact O-OG 3.38Å; H255-S258 PolarHBondContact O-N 2.86Å; I256-S258 VanDerWaalsContact C-N 3.34Å; I256-S258 PolarHBondContact O-N 2.9Å; S258-K261 PolarHBondContact O-N 2.87Å; S258-R262 PolarHBondContact O-N 3.14Å; S258-R262 VanDerWaalsContact O-N 3.08Å |
| 259 | S | 92.5 | Very high | 90 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.007 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 176.1 | 61.9 | 0 | 0 | 0 | 0 | 111.2 | F236 S239 H255 I256 K261 R262 L263 | F236-S259 WeakPolarHBondContact CD2-OG 3.36Å; S239-S259 PolarHBondContact OG-OG 2.88Å; H255-S259 WeakPolarHBondContact O-CB 3.38Å; H255-S259 PolarHBondContact O-N 2.89Å; H255-S259 PolarHBondContact O-OG 3.26Å; I256-S259 WeakPolarHBondContact CA-OG 3.43Å; I256-S259 PolarHBondContact O-OG 3.41Å; S259-K261 PolarHBondContact O-N 3.5Å; S259-R262 PolarHBondContact O-N 3.16Å; S259-L263 WeakPolarHBondContact O-CB 3.43Å; S259-L263 PolarHBondContact O-N 3.2Å |
| 260 | L | 96.6 | Very high | 91.1 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 173.7 | 179.6 | 61.4 | 0 | 0 | 0 | 112 | F236 I256 R262 L263 L264 L291 K292 T295 | F236-L260 HydrophobicContact CD2-CB 3.9Å; F236-L260 HydrophobicContact CD2-CD1 4.41Å; F236-L260 HydrophobicContact CE2-CB 3.66Å; F236-L260 HydrophobicContact CE2-CD1 4.01Å; F236-L260 HydrophobicContact CE2-CG 4.32Å; F236-L260 HydrophobicContact CZ-CD1 4.18Å; I256-L260 WeakPolarHBondContact O-CB 3.42Å; I256-L260 PolarHBondContact O-N 2.92Å; L260-R262 VanDerWaalsContact C-N 3.33Å; L260-R262 PolarHBondContact O-N 2.85Å; L260-L263 PolarHBondContact O-N 3.27Å; L260-L264 HydrophobicContact CD1-CD1 3.96Å; L260-L264 HydrophobicContact CD1-CG 3.99Å; L260-L264 HydrophobicContact CD2-CD1 4.46Å; L260-L264 HydrophobicContact CG-CD1 3.83Å; L260-L264 HydrophobicContact CG-CG 4.31Å; L260-L264 WeakPolarHBondContact O-CB 3.31Å; L260-L264 VanDerWaalsContact O-CG 3.26Å; L260-L264 WeakPolarHBondContact O-CG 3.49Å; L260-L264 PolarHBondContact O-N 2.78Å; L260-L291 HydrophobicContact CD1-CD2 3.56Å; L260-L291 HydrophobicContact CD1-CG 3.73Å; L260-K292 HydrophobicContact CD2-CG 4.38Å; L260-T295 HydrophobicContact CD2-CG2 3.83Å |
| 261 | K | 95.3 | Very high | 91.5 | Very high | 144 Ų | 144 | 53.9 Ų | 53.9 | 63% | 0.626 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -59.2 | -43.2 | 179.1 | -78.1 | 172.4 | -176.7 | 174.3 | 0 | 111.8 | Q257 S258 S259 S265 | Q257-K261 WeakPolarHBondContact O-CB 3.36Å; Q257-K261 VanDerWaalsContact O-CG 3.27Å; Q257-K261 WeakPolarHBondContact O-CG 3.31Å; Q257-K261 PolarHBondContact O-N 2.8Å; S258-K261 PolarHBondContact O-N 2.87Å; S259-K261 PolarHBondContact O-N 3.5Å; K261-S265 WeakPolarHBondContact O-CB 3.5Å; K261-S265 PolarHBondContact O-N 3.12Å |
| 262 | R | 94.8 | Very high | 91.9 | Very high | 104 Ų | 104 | 53.3 Ų | 53.3 | 39% | 0.392 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.9 | -40.7 | 178.1 | -173.2 | 179.5 | 56.4 | -132.6 | -41.4 | 112.1 | E235 S258 S259 L260 S265 S266 | E235-R262 VanDerWaalsContact CD-NH1 3.28Å; E235-R262 IonicContact OE1-CZ 3.89Å; E235-R262 IonicContact OE1-NH1 3.94Å; E235-R262 PolarHBondContact OE1-NH1 3.06Å; E235-R262 IonicContact OE1-NH2 2.77Å; E235-R262 PolarHBondContact OE1-NH2 2.83Å; E235-R262 IonicContact OE2-CZ 3.32Å; E235-R262 IonicContact OE2-NE 2.61Å; E235-R262 PolarHBondContact OE2-NE 3.33Å; E235-R262 IonicContact OE2-NH1 2.57Å; E235-R262 PolarHBondContact OE2-NH1 3.33Å; E235-R262 IonicContact OE2-NH2 2.83Å; E235-R262 PolarHBondContact OE2-NH2 3.31Å; S258-R262 PolarHBondContact O-N 3.14Å; S258-R262 VanDerWaalsContact O-N 3.08Å; S259-R262 PolarHBondContact O-N 3.16Å; L260-R262 VanDerWaalsContact C-N 3.33Å; L260-R262 PolarHBondContact O-N 2.85Å; R262-S265 PolarHBondContact O-N 2.98Å; R262-S266 PolarHBondContact O-N 3.03Å; R262-S266 PolarHBondContact O-OG 2.98Å |
| 263 | L | 96.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.8 | -53 | 174.1 | 171 | 58.4 | 0 | 0 | 0 | 110.7 | L229 A232 L233 F236 S259 L260 S265 S266 V267 L291 | L229-L263 HydrophobicContact CD1-CD1 4.17Å; A232-L263 HydrophobicContact CB-CD1 4.25Å; L233-L263 HydrophobicContact CB-CD1 4.49Å; L233-L263 HydrophobicContact CD2-CD1 3.53Å; L233-L263 HydrophobicContact CD2-CD2 3.96Å; L233-L263 HydrophobicContact CD2-CG 4.39Å; L233-L263 HydrophobicContact CG-CD1 3.72Å; F236-L263 HydrophobicContact CB-CD2 3.9Å; F236-L263 HydrophobicContact CD1-CD2 4Å; F236-L263 HydrophobicContact CG-CD2 3.98Å; S259-L263 WeakPolarHBondContact O-CB 3.43Å; S259-L263 PolarHBondContact O-N 3.2Å; L260-L263 PolarHBondContact O-N 3.27Å; L263-S265 VanDerWaalsContact C-N 3.33Å; L263-S265 PolarHBondContact O-N 3.27Å; L263-S266 WeakPolarHBondContact O-CB 3.44Å; L263-S266 PolarHBondContact O-N 3.46Å; L263-V267 HydrophobicContact CD1-CG2 3.93Å; L263-V267 HydrophobicContact CG-CG2 4.44Å; L263-V267 WeakPolarHBondContact O-CG2 3.37Å; L263-V267 PolarHBondContact O-N 3.36Å; L263-L291 HydrophobicContact CD2-CD2 3.96Å |
| 264 | L | 97.2 | Very high | 92 | Very high | 17 Ų | 17 | 54.5 Ų | 54.5 | 9% | 0.089 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.2 | -43.3 | 179.6 | -69.1 | 170.5 | 0 | 0 | 0 | 112 | L260 S266 V267 Y268 C288 K292 | L260-L264 HydrophobicContact CD1-CD1 3.96Å; L260-L264 HydrophobicContact CD1-CG 3.99Å; L260-L264 HydrophobicContact CD2-CD1 4.46Å; L260-L264 HydrophobicContact CG-CD1 3.83Å; L260-L264 HydrophobicContact CG-CG 4.31Å; L260-L264 WeakPolarHBondContact O-CB 3.31Å; L260-L264 VanDerWaalsContact O-CG 3.26Å; L260-L264 WeakPolarHBondContact O-CG 3.49Å; L260-L264 PolarHBondContact O-N 2.78Å; L264-S266 VanDerWaalsContact C-N 3.27Å; L264-S266 PolarHBondContact O-N 3.49Å; L264-V267 PolarHBondContact O-N 3.41Å; L264-Y268 HydrophobicContact CB-CD2 4.43Å; L264-Y268 HydrophobicContact CD2-CE2 4.35Å; L264-Y268 WeakPolarHBondContact O-CD2 3.33Å; L264-Y268 PolarHBondContact O-N 3.4Å; L264-C288 HydrophobicContact CD2-CB 3.85Å; L264-K292 HydrophobicContact CD1-CD 4.18Å; L264-K292 HydrophobicContact CD1-CG 3.85Å |
| 265 | S | 96.1 | Very high | 91.5 | Very high | 82 Ų | 82 | 57.5 Ų | 57.5 | 57% | 0.573 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -58 | -41.3 | 175.5 | 178 | 0 | 0 | 0 | 0 | 112.1 | K261 R262 L263 K269 | K261-S265 WeakPolarHBondContact O-CB 3.5Å; K261-S265 PolarHBondContact O-N 3.12Å; R262-S265 PolarHBondContact O-N 2.98Å; L263-S265 VanDerWaalsContact C-N 3.33Å; L263-S265 PolarHBondContact O-N 3.27Å; S265-K269 WeakPolarHBondContact O-CB 3.39Å; S265-K269 PolarHBondContact O-N 2.87Å |
| 266 | S | 93.8 | Very high | 91 | Very high | 40 Ų | 40 | 55 Ų | 55 | 28% | 0.28 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -70.6 | -39.9 | 179.5 | -54.6 | 0 | 0 | 0 | 0 | 112 | R262 L263 L264 L270 | R262-S266 PolarHBondContact O-N 3.03Å; R262-S266 PolarHBondContact O-OG 2.98Å; L263-S266 WeakPolarHBondContact O-CB 3.44Å; L263-S266 PolarHBondContact O-N 3.46Å; L264-S266 VanDerWaalsContact C-N 3.27Å; L264-S266 PolarHBondContact O-N 3.49Å; S266-L270 PolarHBondContact O-N 2.73Å |
| 267 | V | 96.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -49.8 | 174.5 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | L229 L263 L264 K269 L270 V271 I284 L330 | L229-V267 HydrophobicContact CD1-CG2 4.04Å; L263-V267 HydrophobicContact CD1-CG2 3.93Å; L263-V267 HydrophobicContact CG-CG2 4.44Å; L263-V267 WeakPolarHBondContact O-CG2 3.37Å; L263-V267 PolarHBondContact O-N 3.36Å; L264-V267 PolarHBondContact O-N 3.41Å; V267-K269 VanDerWaalsContact C-N 3.35Å; V267-K269 PolarHBondContact O-N 2.9Å; V267-L270 WeakPolarHBondContact O-CB 3.28Å; V267-L270 PolarHBondContact O-N 3.46Å; V267-L270 VanDerWaalsContact O-N 3.15Å; V267-V271 HydrophobicContact CG1-CG2 4.41Å; V267-V271 WeakPolarHBondContact O-CG2 3.41Å; V267-V271 PolarHBondContact O-N 3.26Å; V267-I284 HydrophobicContact CG1-CG2 3.88Å; V267-L330 HydrophobicContact CG1-CD2 3.86Å; V267-L330 HydrophobicContact CG2-CD1 3.84Å; V267-L330 HydrophobicContact CG2-CD2 4.37Å |
| 268 | Y | 94.2 | Very high | 89.6 | Confident | 57 Ų | 57 | 57.6 Ų | 57.6 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.6 | -34.7 | -178.8 | -77 | -63.5 | 0 | 0 | 0 | 112.6 | L264 L270 V271 D272 D285 | L264-Y268 HydrophobicContact CB-CD2 4.43Å; L264-Y268 HydrophobicContact CD2-CE2 4.35Å; L264-Y268 WeakPolarHBondContact O-CD2 3.33Å; L264-Y268 PolarHBondContact O-N 3.4Å; Y268-L270 VanDerWaalsContact C-N 3.29Å; Y268-L270 PolarHBondContact O-N 3.49Å; Y268-V271 PolarHBondContact O-N 3.35Å; Y268-D272 WeakPolarHBondContact O-CB 3.29Å; Y268-D272 PolarHBondContact O-N 3.01Å; Y268-D285 WeakPolarHBondContact CE1-OD1 3.37Å; Y268-D285 PolarHBondContact OH-OD1 3.14Å |
| 269 | K | 92.2 | Very high | 89.1 | Confident | 163 Ų | 163 | 61.3 Ų | 61.3 | 71% | 0.709 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.7 | -39.3 | 171.7 | -173 | 177.9 | 179.9 | -179.8 | 0 | 112.5 | S265 V267 S273 | S265-K269 WeakPolarHBondContact O-CB 3.39Å; S265-K269 PolarHBondContact O-N 2.87Å; V267-K269 VanDerWaalsContact C-N 3.35Å; V267-K269 PolarHBondContact O-N 2.9Å; K269-S273 PolarHBondContact O-N 3.25Å; K269-S273 PolarHBondContact O-OG 2.91Å |
| 270 | L | 91.9 | Very high | 88.6 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.7 | -45.1 | 174.2 | 174.7 | 64.5 | 0 | 0 | 0 | 111.4 | L229 S266 V267 Y268 S273 S274 L330 Q384 L388 | L229-L270 HydrophobicContact CD2-CD2 3.6Å; S266-L270 PolarHBondContact O-N 2.73Å; V267-L270 WeakPolarHBondContact O-CB 3.28Å; V267-L270 PolarHBondContact O-N 3.46Å; V267-L270 VanDerWaalsContact O-N 3.15Å; Y268-L270 VanDerWaalsContact C-N 3.29Å; Y268-L270 PolarHBondContact O-N 3.49Å; L270-S273 PolarHBondContact O-N 3.31Å; L270-S273 PolarHBondContact O-OG 2.64Å; L270-S274 WeakPolarHBondContact O-CB 3.31Å; L270-S274 PolarHBondContact O-N 3.43Å; L270-S274 PolarHBondContact O-OG 2.86Å; L270-L330 HydrophobicContact CD2-CD2 4.08Å; L270-Q384 HydrophobicContact CD1-CB 3.66Å; L270-Q384 HydrophobicContact CD1-CG 3.5Å; L270-Q384 VanDerWaalsContact CD1-CG 3.5Å; L270-L388 HydrophobicContact CD2-CD1 4.26Å |
| 271 | V | 88.7 | Confident | 88.1 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67 | -36.6 | -178.7 | 170.6 | 0 | 0 | 0 | 0 | 112.7 | V267 Y268 S274 L276 R281 I284 | V267-V271 HydrophobicContact CG1-CG2 4.41Å; V267-V271 WeakPolarHBondContact O-CG2 3.41Å; V267-V271 PolarHBondContact O-N 3.26Å; Y268-V271 PolarHBondContact O-N 3.35Å; V271-S274 PolarHBondContact O-N 3.4Å; V271-L276 HydrophobicContact CG1-CD1 4.09Å; V271-L276 HydrophobicContact CG2-CD1 4.38Å; V271-R281 HydrophobicContact CG1-CG 4.29Å; V271-R281 PolarHBondContact O-NH2 2.98Å; V271-R281 VanDerWaalsContact O-NH2 3.14Å; V271-I284 HydrophobicContact CG2-CD1 3.72Å; V271-I284 HydrophobicContact CG2-CG2 4.02Å |
| 272 | D | 88.9 | Confident | 87.7 | Confident | 117 Ų | 117 | 62.7 Ų | 62.7 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -73.9 | -31.2 | -179.8 | -70.8 | -23.1 | 0 | 0 | 0 | 112.3 | Y268 S274 | Y268-D272 WeakPolarHBondContact O-CB 3.29Å; Y268-D272 PolarHBondContact O-N 3.01Å; D272-S274 VanDerWaalsContact C-N 3.31Å |
| 273 | S | 85.4 | Confident | 87.5 | Confident | 61 Ų | 61 | 58.7 Ų | 58.7 | 43% | 0.427 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -80.2 | -12.4 | 174.5 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | K269 L270 Q384 | K269-S273 PolarHBondContact O-N 3.25Å; K269-S273 PolarHBondContact O-OG 2.91Å; L270-S273 PolarHBondContact O-N 3.31Å; L270-S273 PolarHBondContact O-OG 2.64Å; S273-Q384 PolarHBondContact OG-NE2 3.07Å |
| 274 | S | 82.2 | Confident | 87.2 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 3% | 0.028 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -99.4 | 134.5 | -177.9 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | L270 V271 D272 L276 Q384 | L270-S274 WeakPolarHBondContact O-CB 3.31Å; L270-S274 PolarHBondContact O-N 3.43Å; L270-S274 PolarHBondContact O-OG 2.86Å; V271-S274 PolarHBondContact O-N 3.4Å; D272-S274 VanDerWaalsContact C-N 3.31Å; S274-L276 VanDerWaalsContact C-N 3.27Å; S274-L276 PolarHBondContact O-N 3.06Å; S274-Q384 PolarHBondContact OG-NE2 3.48Å |
| 275 | K | 77.1 | Confident | 87 | Confident | 162 Ų | 162 | 60.7 Ų | 60.7 | 70% | 0.704 | 32% | 0.321 | S | S | * | . | trans | -82.6 | 72.5 | 172.8 | -67.4 | 179.8 | -174.9 | 167.8 | 0 | 110.4 | ||||
| 276 | L | 76.6 | Confident | 86.9 | Confident | 26 Ų | 26 | 62.1 Ų | 62.1 | 14% | 0.136 | 32% | 0.318 | C | S | . | . | trans | -83.1 | 151.7 | -177.4 | -57.7 | 174.3 | 0 | 0 | 0 | 112.6 | V271 S274 I284 C333 | V271-L276 HydrophobicContact CG1-CD1 4.09Å; V271-L276 HydrophobicContact CG2-CD1 4.38Å; S274-L276 VanDerWaalsContact C-N 3.27Å; S274-L276 PolarHBondContact O-N 3.06Å; L276-I284 HydrophobicContact CD1-CD1 4.19Å; L276-C333 WeakPolarHBondContact CD1-SG 3.41Å; L276-C333 HydrophobicContact CD2-CB 4.26Å; L276-C333 WeakPolarHBondContact CD2-SG 3.39Å | ||
| 277 | N | 77.3 | Confident | 86.9 | Confident | 38 Ų | 38 | 61.4 Ų | 61.4 | 20% | 0.203 | 31% | 0.31 | C | S | . | . | trans | -69.2 | 157.5 | 165.1 | 70.3 | 53.7 | 0 | 0 | 0 | 111.2 | K279 R280 R281 L469 | N277-K279 VanDerWaalsContact C-N 3.32Å; N277-K279 PolarHBondContact O-N 3.04Å; N277-K279 PolarHBondContact OD1-N 3.31Å; N277-R280 PolarHBondContact O-N 3.03Å; N277-R280 PolarHBondContact OD1-N 2.95Å; N277-R281 PolarHBondContact O-N 3.39Å; N277-L469 HydrophobicContact CB-CD2 4.25Å | ||
| 278 | S | 76.1 | Confident | 86.9 | Confident | 102 Ų | 102 | 61.4 Ų | 61.4 | 71% | 0.713 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.8 | -36.4 | -175.3 | 52.6 | 0 | 0 | 0 | 0 | 113.4 | S282 | S278-S282 WeakPolarHBondContact O-CB 3.42Å; S278-S282 PolarHBondContact O-N 3.25Å |
| 279 | K | 81.1 | Confident | 87 | Confident | 146 Ų | 146 | 62.7 Ų | 62.7 | 64% | 0.635 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.9 | -50.1 | 178.8 | -70.7 | -170.1 | 174 | -168.2 | 0 | 111.5 | N277 S282 A283 D595 | N277-K279 VanDerWaalsContact C-N 3.32Å; N277-K279 PolarHBondContact O-N 3.04Å; N277-K279 PolarHBondContact OD1-N 3.31Å; K279-S282 PolarHBondContact O-N 3.01Å; K279-A283 PolarHBondContact O-N 2.99Å; K279-D595 IonicContact NZ-OD2 3.47Å; K279-D595 PolarHBondContact NZ-OD2 2.94Å |
| 280 | R | 82.2 | Confident | 87.2 | Confident | 18 Ų | 18 | 58.2 Ų | 58.2 | 7% | 0.068 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.5 | -41.7 | -179.3 | -75.6 | -176 | 178.4 | 144.9 | 0.7 | 112.5 | N277 S282 A283 I284 D336 D465 | N277-R280 PolarHBondContact O-N 3.03Å; N277-R280 PolarHBondContact OD1-N 2.95Å; R280-S282 VanDerWaalsContact C-N 3.33Å; R280-S282 PolarHBondContact O-N 3.5Å; R280-A283 PolarHBondContact O-N 3.46Å; R280-I284 WeakPolarHBondContact O-CG1 3.39Å; R280-I284 PolarHBondContact O-N 3.17Å; R280-I284 VanDerWaalsContact O-N 3.09Å; R280-D336 IonicContact CZ-OD2 2.63Å; R280-D336 IonicContact NH1-OD1 3.79Å; R280-D336 IonicContact NH1-OD2 3.85Å; R280-D336 PolarHBondContact NH1-OD2 2.95Å; R280-D465 IonicContact CZ-OD2 2.89Å; R280-D465 IonicContact NH2-OD2 3.99Å; R280-D465 PolarHBondContact NH2-OD2 2.74Å |
| 281 | R | 85.7 | Confident | 87.4 | Confident | 99 Ų | 99 | 58 Ų | 58 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 175.6 | 179.9 | 171.1 | -81.6 | -178.8 | -6.4 | 111.1 | V271 N277 A283 I284 D285 | V271-R281 HydrophobicContact CG1-CG 4.29Å; V271-R281 PolarHBondContact O-NH2 2.98Å; V271-R281 VanDerWaalsContact O-NH2 3.14Å; N277-R281 PolarHBondContact O-N 3.39Å; R281-A283 VanDerWaalsContact C-N 3.34Å; R281-A283 PolarHBondContact O-N 2.91Å; R281-I284 PolarHBondContact O-N 2.96Å; R281-D285 PolarHBondContact O-N 3.05Å |
| 282 | S | 88 | Confident | 87.8 | Confident | 74 Ų | 74 | 61.9 Ų | 61.9 | 52% | 0.517 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 177 | -168.1 | 0 | 0 | 0 | 0 | 112.7 | S278 K279 R280 D285 E286 | S278-S282 WeakPolarHBondContact O-CB 3.42Å; S278-S282 PolarHBondContact O-N 3.25Å; K279-S282 PolarHBondContact O-N 3.01Å; R280-S282 VanDerWaalsContact C-N 3.33Å; R280-S282 PolarHBondContact O-N 3.5Å; S282-D285 PolarHBondContact O-N 2.92Å; S282-E286 WeakPolarHBondContact O-CB 3.33Å; S282-E286 PolarHBondContact O-N 3.13Å |
| 283 | A | 89.4 | Confident | 88.1 | Confident | 20 Ų | 20 | 59.3 Ų | 59.3 | 17% | 0.165 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | K279 R280 R281 D285 E286 Y287 L329 | K279-A283 PolarHBondContact O-N 2.99Å; R280-A283 PolarHBondContact O-N 3.46Å; R281-A283 VanDerWaalsContact C-N 3.34Å; R281-A283 PolarHBondContact O-N 2.91Å; A283-D285 VanDerWaalsContact C-N 3.35Å; A283-D285 PolarHBondContact O-N 2.87Å; A283-E286 PolarHBondContact O-N 3.44Å; A283-Y287 WeakPolarHBondContact O-CD2 3.43Å; A283-Y287 PolarHBondContact O-N 3.04Å; A283-L329 HydrophobicContact CB-CD2 3.84Å |
| 284 | I | 91.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 176.2 | -65.1 | 170.3 | 0 | 0 | 0 | 110.6 | V267 V271 L276 R280 R281 E286 Y287 C288 L326 L329 L330 C333 | V267-I284 HydrophobicContact CG1-CG2 3.88Å; V271-I284 HydrophobicContact CG2-CD1 3.72Å; V271-I284 HydrophobicContact CG2-CG2 4.02Å; L276-I284 HydrophobicContact CD1-CD1 4.19Å; R280-I284 WeakPolarHBondContact O-CG1 3.39Å; R280-I284 PolarHBondContact O-N 3.17Å; R280-I284 VanDerWaalsContact O-N 3.09Å; R281-I284 PolarHBondContact O-N 2.96Å; I284-E286 VanDerWaalsContact C-N 3.3Å; I284-E286 PolarHBondContact O-N 3.11Å; I284-Y287 PolarHBondContact O-N 3.06Å; I284-C288 WeakPolarHBondContact O-CB 3.36Å; I284-C288 PolarHBondContact O-N 2.86Å; I284-C288 PolarHBondContact O-SG 3.13Å; I284-L326 HydrophobicContact CG2-CD1 4.28Å; I284-L329 HydrophobicContact CB-CD2 4.34Å; I284-L329 HydrophobicContact CG1-CD2 3.5Å; I284-L329 HydrophobicContact CG1-CG 3.78Å; I284-L330 HydrophobicContact CD1-CD2 4.39Å; I284-C333 HydrophobicContact CD1-CB 4.25Å |
| 285 | D | 92.9 | Very high | 89.2 | Confident | 58 Ų | 58 | 57.3 Ų | 57.3 | 31% | 0.31 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62 | -38.5 | 177.1 | -80.4 | -40.7 | 0 | 0 | 0 | 112.4 | Y268 R281 S282 A283 C288 T289 | Y268-D285 WeakPolarHBondContact CE1-OD1 3.37Å; Y268-D285 PolarHBondContact OH-OD1 3.14Å; R281-D285 PolarHBondContact O-N 3.05Å; S282-D285 PolarHBondContact O-N 2.92Å; A283-D285 VanDerWaalsContact C-N 3.35Å; A283-D285 PolarHBondContact O-N 2.87Å; D285-C288 PolarHBondContact O-N 3.3Å; D285-T289 WeakPolarHBondContact O-CB 3.39Å; D285-T289 PolarHBondContact O-N 2.93Å; D285-T289 PolarHBondContact O-OG1 2.85Å |
| 286 | E | 94.2 | Very high | 90 | Very high | 112 Ų | 112 | 53 Ų | 53 | 52% | 0.523 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.4 | -53 | 175.7 | -169.3 | -178.4 | 166.6 | 0 | 0 | 111.3 | S282 A283 I284 C288 T289 Q290 | S282-E286 WeakPolarHBondContact O-CB 3.33Å; S282-E286 PolarHBondContact O-N 3.13Å; A283-E286 PolarHBondContact O-N 3.44Å; I284-E286 VanDerWaalsContact C-N 3.3Å; I284-E286 PolarHBondContact O-N 3.11Å; E286-C288 VanDerWaalsContact C-N 3.3Å; E286-C288 PolarHBondContact O-N 2.86Å; E286-T289 WeakPolarHBondContact O-CB 3.22Å; E286-T289 PolarHBondContact O-N 3.01Å; E286-Q290 WeakPolarHBondContact O-CG 3.42Å; E286-Q290 PolarHBondContact O-N 3.37Å; E286-Q290 PolarHBondContact OE1-NE2 3.48Å |
| 287 | Y | 93.6 | Very high | 90.9 | Very high | 26 Ų | 26 | 55.6 Ų | 55.6 | 10% | 0.102 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.8 | -38.7 | 176.9 | -79.7 | -68.8 | 0 | 0 | 0 | 112.2 | A283 I284 T289 Q290 L291 I322 L329 | A283-Y287 WeakPolarHBondContact O-CD2 3.43Å; A283-Y287 PolarHBondContact O-N 3.04Å; I284-Y287 PolarHBondContact O-N 3.06Å; Y287-T289 VanDerWaalsContact C-N 3.3Å; Y287-T289 PolarHBondContact O-N 3.42Å; Y287-Q290 PolarHBondContact O-N 3.19Å; Y287-L291 VanDerWaalsContact O-CB 3.24Å; Y287-L291 WeakPolarHBondContact O-CB 3.47Å; Y287-L291 PolarHBondContact O-N 3.43Å; Y287-I322 HydrophobicContact CD1-CG2 4.17Å; Y287-L329 HydrophobicContact CD2-CD2 3.73Å; Y287-L329 HydrophobicContact CE2-CD2 4.08Å |
| 288 | C | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.1 | -34.8 | 175.2 | -71.1 | 0 | 0 | 0 | 0 | 112.1 | L264 I284 D285 E286 K292 | L264-C288 HydrophobicContact CD2-CB 3.85Å; I284-C288 WeakPolarHBondContact O-CB 3.36Å; I284-C288 PolarHBondContact O-N 2.86Å; I284-C288 PolarHBondContact O-SG 3.13Å; D285-C288 PolarHBondContact O-N 3.3Å; E286-C288 VanDerWaalsContact C-N 3.3Å; E286-C288 PolarHBondContact O-N 2.86Å; C288-K292 VanDerWaalsContact O-CG 3.25Å; C288-K292 WeakPolarHBondContact O-CG 3.49Å; C288-K292 PolarHBondContact O-N 3.48Å; C288-K292 VanDerWaalsContact O-N 3.1Å |
| 289 | T | 95.9 | Very high | 92.2 | Very high | 83 Ų | 83 | 50 Ų | 50 | 51% | 0.509 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -71.4 | -43.8 | 176.1 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | D285 E286 Y287 L291 K292 S293 | D285-T289 WeakPolarHBondContact O-CB 3.39Å; D285-T289 PolarHBondContact O-N 2.93Å; D285-T289 PolarHBondContact O-OG1 2.85Å; E286-T289 WeakPolarHBondContact O-CB 3.22Å; E286-T289 PolarHBondContact O-N 3.01Å; Y287-T289 VanDerWaalsContact C-N 3.3Å; Y287-T289 PolarHBondContact O-N 3.42Å; T289-L291 VanDerWaalsContact C-N 3.34Å; T289-L291 PolarHBondContact O-N 2.89Å; T289-K292 PolarHBondContact O-N 3.29Å; T289-S293 PolarHBondContact O-N 3Å |
| 290 | Q | 96.4 | Very high | 92.6 | Very high | 69 Ų | 69 | 45.9 Ų | 45.9 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.8 | -44 | 173.7 | -66.7 | -178 | 30.1 | 0 | 0 | 111.2 | E286 Y287 K292 S293 I294 I322 | E286-Q290 WeakPolarHBondContact O-CG 3.42Å; E286-Q290 PolarHBondContact O-N 3.37Å; E286-Q290 PolarHBondContact OE1-NE2 3.48Å; Y287-Q290 PolarHBondContact O-N 3.19Å; Q290-K292 VanDerWaalsContact C-N 3.35Å; Q290-K292 PolarHBondContact O-N 3.47Å; Q290-S293 PolarHBondContact O-N 3.11Å; Q290-I294 WeakPolarHBondContact O-CG1 3.37Å; Q290-I294 PolarHBondContact O-N 3.35Å; Q290-I322 HydrophobicContact CB-CD1 3.92Å |
| 291 | L | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58 | -45.8 | 176.8 | -168.6 | 67.3 | 0 | 0 | 0 | 111.3 | F236 L260 L263 Y287 T289 T295 L319 I322 I323 L326 | F236-L291 HydrophobicContact CE1-CD1 3.66Å; F236-L291 HydrophobicContact CE1-CD2 4.46Å; F236-L291 HydrophobicContact CE1-CG 4.28Å; F236-L291 HydrophobicContact CZ-CD1 4.16Å; F236-L291 HydrophobicContact CZ-CG 4.48Å; L260-L291 HydrophobicContact CD1-CD2 3.56Å; L260-L291 HydrophobicContact CD1-CG 3.73Å; L263-L291 HydrophobicContact CD2-CD2 3.96Å; Y287-L291 VanDerWaalsContact O-CB 3.24Å; Y287-L291 WeakPolarHBondContact O-CB 3.47Å; Y287-L291 PolarHBondContact O-N 3.43Å; T289-L291 VanDerWaalsContact C-N 3.34Å; T289-L291 PolarHBondContact O-N 2.89Å; L291-T295 WeakPolarHBondContact O-CB 3.48Å; L291-T295 PolarHBondContact O-N 3.45Å; L291-T295 PolarHBondContact O-OG1 3.24Å; L291-L319 HydrophobicContact CD1-CD2 3.89Å; L291-I322 HydrophobicContact CB-CG2 4.06Å; L291-I322 HydrophobicContact CD1-CG2 3.86Å; L291-I323 HydrophobicContact CD1-CG1 4.1Å; L291-L326 HydrophobicContact CD2-CD2 4.21Å |
| 292 | K | 96.9 | Very high | 92.7 | Very high | 84 Ų | 84 | 41.8 Ų | 41.8 | 37% | 0.365 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.1 | -45.3 | 175.4 | -72.2 | 165.8 | -175.7 | 169.2 | 0 | 112.5 | L260 L264 C288 T289 Q290 S296 | L260-K292 HydrophobicContact CD2-CG 4.38Å; L264-K292 HydrophobicContact CD1-CD 4.18Å; L264-K292 HydrophobicContact CD1-CG 3.85Å; C288-K292 VanDerWaalsContact O-CG 3.25Å; C288-K292 WeakPolarHBondContact O-CG 3.49Å; C288-K292 PolarHBondContact O-N 3.48Å; C288-K292 VanDerWaalsContact O-N 3.1Å; T289-K292 PolarHBondContact O-N 3.29Å; Q290-K292 VanDerWaalsContact C-N 3.35Å; Q290-K292 PolarHBondContact O-N 3.47Å; K292-S296 PolarHBondContact O-N 3.04Å; K292-S296 VanDerWaalsContact O-N 3.11Å; K292-S296 PolarHBondContact O-OG 3.23Å |
| 293 | S | 97.1 | Very high | 92.5 | Very high | 63 Ų | 63 | 42.1 Ų | 42.1 | 44% | 0.441 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.4 | -53.8 | -179.3 | -172.3 | 0 | 0 | 0 | 0 | 111.1 | T289 Q290 T295 S296 E297 | T289-S293 PolarHBondContact O-N 3Å; Q290-S293 PolarHBondContact O-N 3.11Å; S293-T295 VanDerWaalsContact C-N 3.32Å; S293-T295 PolarHBondContact O-N 3.07Å; S293-S296 WeakPolarHBondContact O-CA 3.46Å; S293-S296 VanDerWaalsContact O-CB 3.27Å; S293-S296 WeakPolarHBondContact O-CB 3.32Å; S293-S296 PolarHBondContact O-N 3.21Å; S293-E297 PolarHBondContact O-N 3.11Å |
| 294 | I | 95.5 | Very high | 92.3 | Very high | 21 Ų | 21 | 45.9 Ų | 45.9 | 11% | 0.108 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.6 | -31.2 | -174.5 | -63.6 | 161.9 | 0 | 0 | 0 | 111 | Q290 S296 E297 L298 I315 K318 L319 I322 | Q290-I294 WeakPolarHBondContact O-CG1 3.37Å; Q290-I294 PolarHBondContact O-N 3.35Å; I294-S296 PolarHBondContact O-N 2.76Å; I294-E297 WeakPolarHBondContact O-CB 3.27Å; I294-E297 PolarHBondContact O-N 3.22Å; I294-L298 PolarHBondContact O-N 3.37Å; I294-I315 HydrophobicContact CG2-CG2 3.78Å; I294-K318 HydrophobicContact CG2-CB 4.29Å; I294-L319 HydrophobicContact CB-CD2 3.77Å; I294-L319 HydrophobicContact CB-CG 4.34Å; I294-L319 HydrophobicContact CG2-CD1 4.32Å; I294-L319 HydrophobicContact CG2-CD2 3.58Å; I294-L319 HydrophobicContact CG2-CG 3.57Å; I294-I322 HydrophobicContact CD1-CD1 3.17Å |
| 295 | T | 95.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.2 | -36.1 | 171 | -57 | 0 | 0 | 0 | 0 | 111 | F236 I256 L260 L291 S293 L298 I299 | F236-T295 HydrophobicContact CE2-CG2 4.28Å; F236-T295 HydrophobicContact CZ-CG2 4.35Å; F236-T295 WeakPolarHBondContact CZ-OG1 3.17Å; I256-T295 HydrophobicContact CG2-CG2 3.5Å; L260-T295 HydrophobicContact CD2-CG2 3.83Å; L291-T295 WeakPolarHBondContact O-CB 3.48Å; L291-T295 PolarHBondContact O-N 3.45Å; L291-T295 PolarHBondContact O-OG1 3.24Å; S293-T295 VanDerWaalsContact C-N 3.32Å; S293-T295 PolarHBondContact O-N 3.07Å; T295-L298 PolarHBondContact O-N 2.84Å; T295-I299 HydrophobicContact CG2-CD1 3.93Å; T295-I299 WeakPolarHBondContact O-CD1 3.31Å; T295-I299 VanDerWaalsContact O-CG1 3.26Å; T295-I299 WeakPolarHBondContact O-CG1 3.22Å; T295-I299 PolarHBondContact O-N 2.81Å |
| 296 | S | 93.8 | Very high | 90.8 | Very high | 72 Ų | 72 | 60.6 Ų | 60.6 | 50% | 0.503 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.6 | -35.7 | 175.8 | -54.8 | 0 | 0 | 0 | 0 | 111.9 | K292 S293 I294 I299 S300 | K292-S296 PolarHBondContact O-N 3.04Å; K292-S296 VanDerWaalsContact O-N 3.11Å; K292-S296 PolarHBondContact O-OG 3.23Å; S293-S296 WeakPolarHBondContact O-CA 3.46Å; S293-S296 VanDerWaalsContact O-CB 3.27Å; S293-S296 WeakPolarHBondContact O-CB 3.32Å; S293-S296 PolarHBondContact O-N 3.21Å; I294-S296 PolarHBondContact O-N 2.76Å; S296-I299 PolarHBondContact O-N 2.95Å; S296-S300 WeakPolarHBondContact O-CB 3.41Å; S296-S300 PolarHBondContact O-N 3.46Å |
| 297 | E | 94 | Very high | 89.9 | Confident | 80 Ų | 80 | 57.5 Ų | 57.5 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 170.7 | -66.7 | 169.4 | -134.9 | 0 | 0 | 111.3 | S293 I294 I299 S300 E301 I315 | S293-E297 PolarHBondContact O-N 3.11Å; I294-E297 WeakPolarHBondContact O-CB 3.27Å; I294-E297 PolarHBondContact O-N 3.22Å; E297-I299 PolarHBondContact O-N 3.21Å; E297-S300 WeakPolarHBondContact O-CB 3.48Å; E297-S300 PolarHBondContact O-N 3.44Å; E297-E301 PolarHBondContact O-N 3.2Å; E297-I315 HydrophobicContact CB-CD1 4.34Å |
| 298 | L | 90.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 176.8 | -174.8 | 62.6 | 0 | 0 | 0 | 112.1 | L240 I256 I294 T295 S300 E301 Y302 T312 I315 I316 L319 | L240-L298 HydrophobicContact CD2-CD2 3.79Å; I256-L298 HydrophobicContact CD1-CD2 4.2Å; I294-L298 PolarHBondContact O-N 3.37Å; T295-L298 PolarHBondContact O-N 2.84Å; L298-S300 VanDerWaalsContact C-N 3.31Å; L298-S300 PolarHBondContact O-N 2.93Å; L298-E301 PolarHBondContact O-N 2.95Å; L298-Y302 HydrophobicContact CD1-CD2 4.45Å; L298-Y302 HydrophobicContact CD1-CE2 3.84Å; L298-Y302 HydrophobicContact CD2-CE2 4.04Å; L298-Y302 HydrophobicContact CG-CD2 4.09Å; L298-Y302 HydrophobicContact CG-CE2 3.65Å; L298-Y302 WeakPolarHBondContact O-CD2 3.43Å; L298-Y302 PolarHBondContact O-N 3.48Å; L298-T312 HydrophobicContact CD1-CG2 3.78Å; L298-I315 HydrophobicContact CB-CG2 3.71Å; L298-I315 HydrophobicContact CD1-CB 4.37Å; L298-I315 HydrophobicContact CD1-CG2 4.05Å; L298-I315 HydrophobicContact CG-CG2 4.41Å; L298-I316 HydrophobicContact CD1-CG1 4.01Å; L298-I316 HydrophobicContact CD2-CG1 4.28Å; L298-L319 HydrophobicContact CB-CD1 4.35Å; L298-L319 HydrophobicContact CD2-CD1 3.78Å |
| 299 | I | 89.6 | Confident | 88.5 | Confident | 22 Ų | 22 | 65.3 Ų | 65.3 | 11% | 0.113 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63 | -40.8 | 177.6 | -70.1 | 160.3 | 0 | 0 | 0 | 110.7 | Q253 Q257 T295 S296 E297 Y302 S303 | Q253-I299 HydrophobicContact CB-CG2 4.26Å; Q253-I299 HydrophobicContact CG-CG2 3.97Å; Q253-I299 PolarHBondContact NE2-O 3.27Å; Q257-I299 HydrophobicContact CG-CD1 3.35Å; Q257-I299 HydrophobicContact CG-CG1 4.49Å; T295-I299 HydrophobicContact CG2-CD1 3.93Å; T295-I299 WeakPolarHBondContact O-CD1 3.31Å; T295-I299 VanDerWaalsContact O-CG1 3.26Å; T295-I299 WeakPolarHBondContact O-CG1 3.22Å; T295-I299 PolarHBondContact O-N 2.81Å; S296-I299 PolarHBondContact O-N 2.95Å; E297-I299 PolarHBondContact O-N 3.21Å; I299-Y302 PolarHBondContact O-N 2.75Å; I299-S303 PolarHBondContact O-N 3.25Å |
| 300 | S | 89.5 | Confident | 87.8 | Confident | 61 Ų | 61 | 70.9 Ų | 70.9 | 43% | 0.427 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 174.7 | 179.8 | 0 | 0 | 0 | 0 | 111.5 | S296 E297 L298 Y302 S303 | S296-S300 WeakPolarHBondContact O-CB 3.41Å; S296-S300 PolarHBondContact O-N 3.46Å; E297-S300 WeakPolarHBondContact O-CB 3.48Å; E297-S300 PolarHBondContact O-N 3.44Å; L298-S300 VanDerWaalsContact C-N 3.31Å; L298-S300 PolarHBondContact O-N 2.93Å; S300-Y302 PolarHBondContact O-N 3.5Å; S300-S303 WeakPolarHBondContact O-CB 3.41Å; S300-S303 PolarHBondContact O-N 3.35Å; S300-S303 VanDerWaalsContact O-N 3.12Å; S300-S303 PolarHBondContact O-OG 3.14Å |
| 301 | E | 86.5 | Confident | 87.3 | Confident | 22 Ų | 22 | 70.8 Ų | 70.8 | 10% | 0.103 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 173.5 | -70.5 | -51.3 | 124.8 | 0 | 0 | 112.4 | E297 L298 S303 K304 I315 | E297-E301 PolarHBondContact O-N 3.2Å; L298-E301 PolarHBondContact O-N 2.95Å; E301-S303 PolarHBondContact O-N 3.31Å; E301-K304 VanDerWaalsContact CD-CE 3.48Å; E301-K304 WeakPolarHBondContact O-CB 3.5Å; E301-K304 PolarHBondContact O-N 3.18Å; E301-K304 VanDerWaalsContact O-N 3.11Å; E301-K304 WeakPolarHBondContact OE1-CE 3.23Å; E301-K304 IonicContact OE1-NZ 3.33Å; E301-K304 PolarHBondContact OE1-NZ 3.41Å; E301-K304 WeakPolarHBondContact OE2-CD 3.42Å; E301-K304 WeakPolarHBondContact OE2-CE 3.31Å; E301-K304 IonicContact OE2-NZ 2.91Å; E301-K304 PolarHBondContact OE2-NZ 3.38Å; E301-I315 HydrophobicContact CB-CD1 4.49Å; E301-I315 HydrophobicContact CG-CD1 3.43Å; E301-I315 VanDerWaalsContact CG-CD1 3.43Å |
| 302 | Y | 84.8 | Confident | 86.6 | Confident | 9 Ų | 9 | 71.3 Ų | 71.3 | 4% | 0.035 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.6 | -16.8 | 175.6 | -70.5 | -39.2 | 0 | 0 | 0 | 114.2 | P244 I252 Q253 I256 L298 I299 S300 K304 I307 T312 | P244-Y302 HydrophobicContact CG-CE1 4.33Å; I252-Y302 HydrophobicContact CG2-CE2 4.35Å; Q253-Y302 VanDerWaalsContact NE2-C 3.34Å; I256-Y302 HydrophobicContact CD1-CD2 4.26Å; I256-Y302 HydrophobicContact CD1-CE2 3.77Å; L298-Y302 HydrophobicContact CD1-CD2 4.45Å; L298-Y302 HydrophobicContact CD1-CE2 3.84Å; L298-Y302 HydrophobicContact CD2-CE2 4.04Å; L298-Y302 HydrophobicContact CG-CD2 4.09Å; L298-Y302 HydrophobicContact CG-CE2 3.65Å; L298-Y302 WeakPolarHBondContact O-CD2 3.43Å; L298-Y302 PolarHBondContact O-N 3.48Å; I299-Y302 PolarHBondContact O-N 2.75Å; S300-Y302 PolarHBondContact O-N 3.5Å; Y302-K304 VanDerWaalsContact C-N 3.33Å; Y302-I307 HydrophobicContact CD1-CD1 4.1Å; Y302-I307 HydrophobicContact CD1-CG2 4.36Å; Y302-T312 HydrophobicContact CE1-CG2 3.73Å |
| 303 | S | 84.1 | Confident | 85.8 | Confident | 81 Ų | 81 | 72.6 Ų | 72.6 | 57% | 0.566 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -12.2 | 175.5 | 79.9 | 0 | 0 | 0 | 0 | 113.2 | I299 S300 E301 | I299-S303 PolarHBondContact O-N 3.25Å; S300-S303 WeakPolarHBondContact O-CB 3.41Å; S300-S303 PolarHBondContact O-N 3.35Å; S300-S303 VanDerWaalsContact O-N 3.12Å; S300-S303 PolarHBondContact O-OG 3.14Å; E301-S303 PolarHBondContact O-N 3.31Å |
| 304 | K | 84.3 | Confident | 85.3 | Confident | 98 Ų | 98 | 75 Ų | 75 | 43% | 0.426 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -71.5 | 146.8 | 179.1 | -63.9 | -177.9 | -178.8 | 172.9 | 0 | 111.2 | E301 Y302 I306 | E301-K304 VanDerWaalsContact CD-CE 3.48Å; E301-K304 WeakPolarHBondContact O-CB 3.5Å; E301-K304 PolarHBondContact O-N 3.18Å; E301-K304 VanDerWaalsContact O-N 3.11Å; E301-K304 WeakPolarHBondContact OE1-CE 3.23Å; E301-K304 IonicContact OE1-NZ 3.33Å; E301-K304 PolarHBondContact OE1-NZ 3.41Å; E301-K304 WeakPolarHBondContact OE2-CD 3.42Å; E301-K304 WeakPolarHBondContact OE2-CE 3.31Å; E301-K304 IonicContact OE2-NZ 2.91Å; E301-K304 PolarHBondContact OE2-NZ 3.38Å; Y302-K304 VanDerWaalsContact C-N 3.33Å; K304-I306 VanDerWaalsContact C-N 3.25Å; K304-I306 PolarHBondContact O-N 3.09Å |
| 305 | K | 75.8 | Confident | 85.1 | Confident | 220 Ų | 220 | 74.2 Ų | 74.2 | 96% | 0.957 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -61 | -34.2 | 175.5 | -72.1 | -174.6 | 178.9 | -179.9 | 0 | 113 | ||
| 306 | I | 77.8 | Confident | 84.5 | Confident | 149 Ų | 149 | 75.1 Ų | 75.1 | 76% | 0.764 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -122.9 | 112.9 | 175.2 | -58.2 | 174.1 | 0 | 0 | 0 | 105.7 | K304 | K304-I306 VanDerWaalsContact C-N 3.25Å; K304-I306 PolarHBondContact O-N 3.09Å |
| 307 | I | 74.4 | Confident | 84 | Confident | 47 Ų | 47 | 77 Ų | 77 | 24% | 0.241 | 38% | 0.376 | C | S | . | . | trans | -76.9 | 122.2 | 177.3 | -60.8 | 167 | 0 | 0 | 0 | 107.5 | P244 T249 Y302 T309 T312 | P244-I307 HydrophobicContact CB-CD1 4.04Å; P244-I307 HydrophobicContact CG-CD1 4.22Å; T249-I307 HydrophobicContact CG2-CD1 4.28Å; Y302-I307 HydrophobicContact CD1-CD1 4.1Å; Y302-I307 HydrophobicContact CD1-CG2 4.36Å; I307-T309 PolarHBondContact O-N 3.24Å; I307-T312 WeakPolarHBondContact CG2-OG1 3.25Å | ||
| 308 | D | 82.8 | Confident | 83.9 | Confident | 84 Ų | 84 | 78.2 Ų | 78.2 | 45% | 0.449 | 38% | 0.38 | S | S | . | . | trans | -79 | 103.6 | 169.7 | -173 | -19.3 | 0 | 0 | 0 | 108.8 | R310 E311 T312 | D308-R310 PolarHBondContact O-N 2.99Å; D308-R310 WeakPolarHBondContact OD1-CB 3.14Å; D308-R310 PolarHBondContact OD1-N 2.95Å; D308-E311 HydrophobicContact CB-CB 4.15Å; D308-E311 PolarHBondContact O-N 3.43Å; D308-E311 PolarHBondContact OD1-N 3.46Å; D308-T312 WeakPolarHBondContact O-CB 3.44Å; D308-T312 PolarHBondContact O-N 3.32Å; D308-T312 PolarHBondContact O-OG1 3.44Å | ||
| 309 | T | 77.7 | Confident | 83.9 | Confident | 105 Ų | 105 | 78.2 Ų | 78.2 | 64% | 0.644 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -58.1 | -36.6 | -179.7 | -50 | 0 | 0 | 0 | 0 | 112.1 | I307 E313 | I307-T309 PolarHBondContact O-N 3.24Å; T309-E313 WeakPolarHBondContact O-CB 3.36Å; T309-E313 PolarHBondContact O-N 2.95Å |
| 310 | R | 81.4 | Confident | 83.7 | Confident | 201 Ų | 201 | 79 Ų | 79 | 76% | 0.758 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -71.2 | -40 | -177.9 | -69.8 | -178.7 | 179.1 | 172.5 | -0.5 | 111.6 | D308 K314 | D308-R310 PolarHBondContact O-N 2.99Å; D308-R310 WeakPolarHBondContact OD1-CB 3.14Å; D308-R310 PolarHBondContact OD1-N 2.95Å; R310-K314 WeakPolarHBondContact O-CG 3.3Å; R310-K314 PolarHBondContact O-N 2.94Å |
| 311 | E | 85 | Confident | 83.6 | Confident | 67 Ų | 67 | 80.8 Ų | 80.8 | 31% | 0.313 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -73.9 | -36.3 | 177.5 | -168.1 | 55.8 | 104.5 | 0 | 0 | 111.7 | D308 E313 K314 I315 | D308-E311 HydrophobicContact CB-CB 4.15Å; D308-E311 PolarHBondContact O-N 3.43Å; D308-E311 PolarHBondContact OD1-N 3.46Å; E311-E313 VanDerWaalsContact C-N 3.32Å; E311-E313 PolarHBondContact O-N 2.97Å; E311-K314 PolarHBondContact O-N 2.91Å; E311-K314 VanDerWaalsContact OE2-CB 3.24Å; E311-K314 WeakPolarHBondContact OE2-CB 3.44Å; E311-K314 VanDerWaalsContact OE2-CD 3.31Å; E311-K314 WeakPolarHBondContact OE2-CD 3.38Å; E311-I315 HydrophobicContact CG-CD1 4.33Å; E311-I315 WeakPolarHBondContact O-CG1 3.25Å; E311-I315 PolarHBondContact O-N 3.29Å |
| 312 | T | 81.8 | Confident | 83.8 | Confident | 10 Ų | 10 | 80.3 Ų | 80.3 | 6% | 0.061 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57.7 | -46.3 | 172.3 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | L298 Y302 I307 D308 K314 I315 I316 | L298-T312 HydrophobicContact CD1-CG2 3.78Å; Y302-T312 HydrophobicContact CE1-CG2 3.73Å; I307-T312 WeakPolarHBondContact CG2-OG1 3.25Å; D308-T312 WeakPolarHBondContact O-CB 3.44Å; D308-T312 PolarHBondContact O-N 3.32Å; D308-T312 PolarHBondContact O-OG1 3.44Å; T312-K314 PolarHBondContact O-N 3.46Å; T312-I315 PolarHBondContact O-N 3.37Å; T312-I316 HydrophobicContact CG2-CD1 3.92Å; T312-I316 VanDerWaalsContact O-CG1 3.28Å; T312-I316 WeakPolarHBondContact O-CG1 3.35Å; T312-I316 PolarHBondContact O-N 2.93Å |
| 313 | E | 80.5 | Confident | 83.9 | Confident | 111 Ų | 111 | 80 Ų | 80 | 52% | 0.519 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 178.4 | -173.4 | 176.2 | -178 | 0 | 0 | 112.2 | T309 E311 I316 Q317 | T309-E313 WeakPolarHBondContact O-CB 3.36Å; T309-E313 PolarHBondContact O-N 2.95Å; E311-E313 VanDerWaalsContact C-N 3.32Å; E311-E313 PolarHBondContact O-N 2.97Å; E313-I316 PolarHBondContact O-N 3.02Å; E313-Q317 WeakPolarHBondContact O-CG 3.11Å; E313-Q317 PolarHBondContact O-N 3.11Å |
| 314 | K | 87.1 | Confident | 84 | Confident | 115 Ų | 115 | 79.7 Ų | 79.7 | 50% | 0.5 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 175.3 | -75.2 | 174.1 | 179.2 | -179.7 | 0 | 112.7 | R310 E311 T312 Q317 K318 | R310-K314 WeakPolarHBondContact O-CG 3.3Å; R310-K314 PolarHBondContact O-N 2.94Å; E311-K314 PolarHBondContact O-N 2.91Å; E311-K314 VanDerWaalsContact OE2-CB 3.24Å; E311-K314 WeakPolarHBondContact OE2-CB 3.44Å; E311-K314 VanDerWaalsContact OE2-CD 3.31Å; E311-K314 WeakPolarHBondContact OE2-CD 3.38Å; T312-K314 PolarHBondContact O-N 3.46Å; K314-Q317 PolarHBondContact O-N 3.46Å; K314-K318 WeakPolarHBondContact O-CG 3.38Å; K314-K318 PolarHBondContact O-N 3.01Å |
| 315 | I | 89.6 | Confident | 84.2 | Confident | 4 Ų | 4 | 75.1 Ų | 75.1 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 176.6 | -66.1 | 169.6 | 0 | 0 | 0 | 110.4 | I294 E297 L298 E301 E311 T312 Q317 K318 L319 | I294-I315 HydrophobicContact CG2-CG2 3.78Å; E297-I315 HydrophobicContact CB-CD1 4.34Å; L298-I315 HydrophobicContact CB-CG2 3.71Å; L298-I315 HydrophobicContact CD1-CB 4.37Å; L298-I315 HydrophobicContact CD1-CG2 4.05Å; L298-I315 HydrophobicContact CG-CG2 4.41Å; E301-I315 HydrophobicContact CB-CD1 4.49Å; E301-I315 HydrophobicContact CG-CD1 3.43Å; E301-I315 VanDerWaalsContact CG-CD1 3.43Å; E311-I315 HydrophobicContact CG-CD1 4.33Å; E311-I315 WeakPolarHBondContact O-CG1 3.25Å; E311-I315 PolarHBondContact O-N 3.29Å; T312-I315 PolarHBondContact O-N 3.37Å; I315-Q317 VanDerWaalsContact C-N 3.35Å; I315-Q317 PolarHBondContact O-N 3.39Å; I315-K318 WeakPolarHBondContact O-CB 3.07Å; I315-K318 PolarHBondContact O-N 3.37Å; I315-L319 HydrophobicContact CG2-CD1 4.31Å; I315-L319 WeakPolarHBondContact O-CG 3.45Å; I315-L319 PolarHBondContact O-N 3.38Å |
| 316 | I | 83.6 | Confident | 85 | Confident | 20 Ų | 20 | 64.7 Ų | 64.7 | 10% | 0.103 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 175.5 | -68.5 | 167.7 | 0 | 0 | 0 | 110.2 | L240 F241 L298 T312 E313 K318 L319 L320 | L240-I316 HydrophobicContact CB-CG1 4.49Å; L240-I316 HydrophobicContact CB-CG2 4.33Å; L240-I316 WeakPolarHBondContact O-CD1 2.98Å; F241-I316 HydrophobicContact CE1-CG2 4.1Å; F241-I316 HydrophobicContact CZ-CG2 4.39Å; L298-I316 HydrophobicContact CD1-CG1 4.01Å; L298-I316 HydrophobicContact CD2-CG1 4.28Å; T312-I316 HydrophobicContact CG2-CD1 3.92Å; T312-I316 VanDerWaalsContact O-CG1 3.28Å; T312-I316 WeakPolarHBondContact O-CG1 3.35Å; T312-I316 PolarHBondContact O-N 2.93Å; E313-I316 PolarHBondContact O-N 3.02Å; I316-K318 VanDerWaalsContact C-N 3.32Å; I316-K318 PolarHBondContact O-N 3.27Å; I316-L319 WeakPolarHBondContact O-CB 3.43Å; I316-L319 PolarHBondContact O-N 3.19Å; I316-L319 VanDerWaalsContact O-N 3.1Å; I316-L320 HydrophobicContact CG2-CD1 3.98Å; I316-L320 HydrophobicContact CG2-CG 4.21Å; I316-L320 VanDerWaalsContact O-CG 3.3Å; I316-L320 WeakPolarHBondContact O-CG 3.37Å; I316-L320 PolarHBondContact O-N 3.06Å |
| 317 | Q | 83.5 | Confident | 85.7 | Confident | 111 Ų | 111 | 60.7 Ų | 60.7 | 52% | 0.519 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58 | -42 | 176.2 | -74 | 174.8 | 0.6 | 0 | 0 | 112.5 | E313 K314 I315 L320 K321 | E313-Q317 WeakPolarHBondContact O-CG 3.11Å; E313-Q317 PolarHBondContact O-N 3.11Å; K314-Q317 PolarHBondContact O-N 3.46Å; I315-Q317 VanDerWaalsContact C-N 3.35Å; I315-Q317 PolarHBondContact O-N 3.39Å; Q317-L320 PolarHBondContact O-N 2.94Å; Q317-K321 PolarHBondContact O-N 3.44Å |
| 318 | K | 90.9 | Very high | 86.4 | Confident | 106 Ų | 106 | 60.3 Ų | 60.3 | 46% | 0.461 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 173.8 | -70.7 | 174.2 | -177.8 | 174.5 | 0 | 111.9 | I294 K314 I315 I316 K321 I322 | I294-K318 HydrophobicContact CG2-CB 4.29Å; K314-K318 WeakPolarHBondContact O-CG 3.38Å; K314-K318 PolarHBondContact O-N 3.01Å; I315-K318 WeakPolarHBondContact O-CB 3.07Å; I315-K318 PolarHBondContact O-N 3.37Å; I316-K318 VanDerWaalsContact C-N 3.32Å; I316-K318 PolarHBondContact O-N 3.27Å; K318-K321 PolarHBondContact O-N 2.94Å; K318-I322 WeakPolarHBondContact O-CG1 3.22Å; K318-I322 PolarHBondContact O-N 2.69Å; K318-I322 VanDerWaalsContact O-N 3.12Å |
| 319 | L | 91.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 176.8 | -72.8 | 168.7 | 0 | 0 | 0 | 111.7 | L240 L291 I294 L298 I315 I316 K321 I322 I323 | L240-L319 HydrophobicContact CD1-CB 3.81Å; L240-L319 HydrophobicContact CD1-CD1 4.11Å; L240-L319 HydrophobicContact CD2-CD1 3.84Å; L291-L319 HydrophobicContact CD1-CD2 3.89Å; I294-L319 HydrophobicContact CB-CD2 3.77Å; I294-L319 HydrophobicContact CB-CG 4.34Å; I294-L319 HydrophobicContact CG2-CD1 4.32Å; I294-L319 HydrophobicContact CG2-CD2 3.58Å; I294-L319 HydrophobicContact CG2-CG 3.57Å; L298-L319 HydrophobicContact CB-CD1 4.35Å; L298-L319 HydrophobicContact CD2-CD1 3.78Å; I315-L319 HydrophobicContact CG2-CD1 4.31Å; I315-L319 WeakPolarHBondContact O-CG 3.45Å; I315-L319 PolarHBondContact O-N 3.38Å; I316-L319 WeakPolarHBondContact O-CB 3.43Å; I316-L319 PolarHBondContact O-N 3.19Å; I316-L319 VanDerWaalsContact O-N 3.1Å; L319-K321 VanDerWaalsContact C-N 3.31Å; L319-K321 PolarHBondContact O-N 2.79Å; L319-I322 PolarHBondContact O-N 2.83Å; L319-I322 VanDerWaalsContact O-N 3.15Å; L319-I323 VanDerWaalsContact O-CG1 3.24Å; L319-I323 WeakPolarHBondContact O-CG1 3.47Å; L319-I323 PolarHBondContact O-N 3.35Å |
| 320 | L | 85.6 | Confident | 87.5 | Confident | 37 Ų | 37 | 51.9 Ų | 51.9 | 19% | 0.194 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.9 | -41.5 | 177.8 | -66.3 | 172.8 | 0 | 0 | 0 | 111.7 | E237 L240 F241 I316 Q317 I322 I323 N324 | E237-L320 HydrophobicContact CG-CD2 3.64Å; L240-L320 HydrophobicContact CD1-CD2 4.31Å; F241-L320 HydrophobicContact CE1-CD1 4.46Å; F241-L320 HydrophobicContact CE2-CD2 4.15Å; F241-L320 HydrophobicContact CZ-CD1 3.79Å; F241-L320 HydrophobicContact CZ-CD2 4.01Å; F241-L320 HydrophobicContact CZ-CG 4.46Å; I316-L320 HydrophobicContact CG2-CD1 3.98Å; I316-L320 HydrophobicContact CG2-CG 4.21Å; I316-L320 VanDerWaalsContact O-CG 3.3Å; I316-L320 WeakPolarHBondContact O-CG 3.37Å; I316-L320 PolarHBondContact O-N 3.06Å; Q317-L320 PolarHBondContact O-N 2.94Å; L320-I322 PolarHBondContact O-N 3.43Å; L320-I323 HydrophobicContact CD2-CD1 4.47Å; L320-I323 PolarHBondContact O-N 3.43Å; L320-N324 WeakPolarHBondContact O-CB 3.45Å; L320-N324 PolarHBondContact O-N 3.08Å; L320-N324 PolarHBondContact O-ND2 3.46Å |
| 321 | K | 87.2 | Confident | 88.1 | Confident | 99 Ų | 99 | 44.4 Ų | 44.4 | 43% | 0.43 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.9 | -47.7 | 174.2 | -171.4 | 179.5 | 176.6 | -171.3 | 0 | 111.1 | Q317 K318 L319 N324 S325 D587 | Q317-K321 PolarHBondContact O-N 3.44Å; K318-K321 PolarHBondContact O-N 2.94Å; L319-K321 VanDerWaalsContact C-N 3.31Å; L319-K321 PolarHBondContact O-N 2.79Å; K321-N324 PolarHBondContact O-N 3.22Å; K321-S325 PolarHBondContact O-N 3.15Å; K321-S325 PolarHBondContact O-OG 3.34Å; K321-S325 VanDerWaalsContact O-OG 3.12Å; K321-D587 VanDerWaalsContact CE-OD2 3.24Å; K321-D587 WeakPolarHBondContact CE-OD2 3.42Å; K321-D587 IonicContact NZ-OD2 2.77Å; K321-D587 PolarHBondContact NZ-OD2 3.29Å |
| 322 | I | 91.1 | Very high | 88.4 | Confident | 12 Ų | 12 | 41.4 Ų | 41.4 | 6% | 0.062 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64 | -42.2 | 178.9 | -70.6 | 167.6 | 0 | 0 | 0 | 112 | Y287 Q290 L291 I294 K318 L319 L320 N324 S325 L326 | Y287-I322 HydrophobicContact CD1-CG2 4.17Å; Q290-I322 HydrophobicContact CB-CD1 3.92Å; L291-I322 HydrophobicContact CB-CG2 4.06Å; L291-I322 HydrophobicContact CD1-CG2 3.86Å; I294-I322 HydrophobicContact CD1-CD1 3.17Å; K318-I322 WeakPolarHBondContact O-CG1 3.22Å; K318-I322 PolarHBondContact O-N 2.69Å; K318-I322 VanDerWaalsContact O-N 3.12Å; L319-I322 PolarHBondContact O-N 2.83Å; L319-I322 VanDerWaalsContact O-N 3.15Å; L320-I322 PolarHBondContact O-N 3.43Å; I322-N324 VanDerWaalsContact C-N 3.32Å; I322-N324 PolarHBondContact O-N 2.7Å; I322-S325 PolarHBondContact O-N 3.14Å; I322-L326 VanDerWaalsContact O-CB 3.22Å; I322-L326 WeakPolarHBondContact O-CB 3.37Å; I322-L326 PolarHBondContact O-N 3.38Å |
| 323 | I | 87.3 | Confident | 88.9 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 177 | -68.3 | 164.1 | 0 | 0 | 0 | 110 | L233 F236 E237 L240 L291 L319 L320 L326 K327 | L233-I323 HydrophobicContact CD2-CG2 4.15Å; F236-I323 HydrophobicContact CD1-CD1 3.52Å; F236-I323 HydrophobicContact CD1-CG1 3.94Å; F236-I323 HydrophobicContact CE1-CD1 3.62Å; F236-I323 HydrophobicContact CE1-CG1 3.99Å; E237-I323 HydrophobicContact CB-CD1 4.27Å; L240-I323 HydrophobicContact CD1-CD1 3.99Å; L291-I323 HydrophobicContact CD1-CG1 4.1Å; L319-I323 VanDerWaalsContact O-CG1 3.24Å; L319-I323 WeakPolarHBondContact O-CG1 3.47Å; L319-I323 PolarHBondContact O-N 3.35Å; L320-I323 HydrophobicContact CD2-CD1 4.47Å; L320-I323 PolarHBondContact O-N 3.43Å; I323-L326 PolarHBondContact O-N 3.04Å; I323-K327 VanDerWaalsContact O-CB 3.26Å; I323-K327 WeakPolarHBondContact O-CB 3.17Å; I323-K327 PolarHBondContact O-N 3.01Å |
| 324 | N | 84.9 | Confident | 89.5 | Confident | 76 Ų | 76 | 35.7 Ų | 35.7 | 41% | 0.406 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.5 | -45.1 | 178.9 | -76.7 | -35.1 | 0 | 0 | 0 | 112.2 | L320 K321 I322 K327 Q328 | L320-N324 WeakPolarHBondContact O-CB 3.45Å; L320-N324 PolarHBondContact O-N 3.08Å; L320-N324 PolarHBondContact O-ND2 3.46Å; K321-N324 PolarHBondContact O-N 3.22Å; I322-N324 VanDerWaalsContact C-N 3.32Å; I322-N324 PolarHBondContact O-N 2.7Å; N324-K327 PolarHBondContact O-N 2.63Å; N324-Q328 PolarHBondContact O-N 2.89Å |
| 325 | S | 89 | Confident | 89.8 | Confident | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.9 | -45.7 | 174.7 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | K321 I322 K327 Q328 L329 I588 | K321-S325 PolarHBondContact O-N 3.15Å; K321-S325 PolarHBondContact O-OG 3.34Å; K321-S325 VanDerWaalsContact O-OG 3.12Å; I322-S325 PolarHBondContact O-N 3.14Å; S325-K327 PolarHBondContact O-N 2.66Å; S325-Q328 PolarHBondContact O-N 3.47Å; S325-L329 WeakPolarHBondContact O-CB 3.43Å; S325-L329 PolarHBondContact O-N 3.21Å; S325-I588 WeakPolarHBondContact O-CD1 3.29Å |
| 326 | L | 93.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.3 | -44.1 | 177.6 | 179.1 | 60.1 | 0 | 0 | 0 | 111.2 | I284 L291 I322 I323 Q328 L329 L330 | I284-L326 HydrophobicContact CG2-CD1 4.28Å; L291-L326 HydrophobicContact CD2-CD2 4.21Å; I322-L326 VanDerWaalsContact O-CB 3.22Å; I322-L326 WeakPolarHBondContact O-CB 3.37Å; I322-L326 PolarHBondContact O-N 3.38Å; I323-L326 PolarHBondContact O-N 3.04Å; L326-Q328 PolarHBondContact O-N 2.8Å; L326-L329 PolarHBondContact O-N 3.31Å; L326-L330 HydrophobicContact CD1-CD1 4.14Å; L326-L330 HydrophobicContact CD1-CD2 4.47Å; L326-L330 HydrophobicContact CD1-CG 4.11Å; L326-L330 HydrophobicContact CG-CD1 3.9Å; L326-L330 HydrophobicContact CG-CG 4.34Å; L326-L330 WeakPolarHBondContact O-CG 3.49Å; L326-L330 PolarHBondContact O-N 2.83Å |
| 327 | K | 91.8 | Very high | 90.2 | Very high | 65 Ų | 65 | 30 Ų | 30 | 28% | 0.283 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -57.5 | -48.4 | 176.7 | 177.8 | 176.4 | 172.8 | 176.1 | 0 | 111.7 | L230 L233 I323 N324 S325 L329 L330 I331 | L230-K327 HydrophobicContact CD1-CD 4.06Å; L230-K327 VanDerWaalsContact CD1-CE 3.4Å; L233-K327 HydrophobicContact CD1-CB 4.02Å; L233-K327 HydrophobicContact CD1-CD 4.4Å; L233-K327 HydrophobicContact CD1-CG 4.02Å; I323-K327 VanDerWaalsContact O-CB 3.26Å; I323-K327 WeakPolarHBondContact O-CB 3.17Å; I323-K327 PolarHBondContact O-N 3.01Å; N324-K327 PolarHBondContact O-N 2.63Å; S325-K327 PolarHBondContact O-N 2.66Å; K327-L329 VanDerWaalsContact C-N 3.35Å; K327-L329 PolarHBondContact O-N 3.32Å; K327-L330 PolarHBondContact O-N 2.71Å; K327-I331 HydrophobicContact CG-CD1 4.29Å; K327-I331 WeakPolarHBondContact O-CG1 3.36Å; K327-I331 PolarHBondContact O-N 3.47Å |
| 328 | Q | 88.6 | Confident | 90.7 | Very high | 39 Ų | 39 | 24.8 Ų | 24.8 | 18% | 0.182 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.3 | -41.5 | 177 | -173.7 | 177.5 | 26.3 | 0 | 0 | 111.7 | N324 S325 L326 L330 I331 R332 I588 | N324-Q328 PolarHBondContact O-N 2.89Å; S325-Q328 PolarHBondContact O-N 3.47Å; L326-Q328 PolarHBondContact O-N 2.8Å; Q328-L330 VanDerWaalsContact C-N 3.33Å; Q328-L330 PolarHBondContact O-N 2.96Å; Q328-I331 WeakPolarHBondContact O-CB 3.4Å; Q328-I331 PolarHBondContact O-N 3.39Å; Q328-R332 WeakPolarHBondContact O-CG 3.41Å; Q328-R332 PolarHBondContact O-N 3.01Å; Q328-I588 HydrophobicContact CB-CD1 4.01Å; Q328-I588 HydrophobicContact CG-CD1 4.26Å |
| 329 | L | 91.3 | Very high | 90.8 | Very high | 12 Ų | 12 | 19.7 Ų | 19.7 | 6% | 0.063 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.2 | -38.2 | 177.3 | -174.3 | 59.6 | 0 | 0 | 0 | 112.3 | A283 I284 Y287 S325 L326 K327 R332 C333 I588 | A283-L329 HydrophobicContact CB-CD2 3.84Å; I284-L329 HydrophobicContact CB-CD2 4.34Å; I284-L329 HydrophobicContact CG1-CD2 3.5Å; I284-L329 HydrophobicContact CG1-CG 3.78Å; Y287-L329 HydrophobicContact CD2-CD2 3.73Å; Y287-L329 HydrophobicContact CE2-CD2 4.08Å; S325-L329 WeakPolarHBondContact O-CB 3.43Å; S325-L329 PolarHBondContact O-N 3.21Å; L326-L329 PolarHBondContact O-N 3.31Å; K327-L329 VanDerWaalsContact C-N 3.35Å; K327-L329 PolarHBondContact O-N 3.32Å; L329-R332 PolarHBondContact O-N 2.85Å; L329-C333 WeakPolarHBondContact O-CB 3.43Å; L329-C333 PolarHBondContact O-N 3.27Å; L329-I588 HydrophobicContact CB-CD1 4.33Å |
| 330 | L | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.8 | -37.3 | 175.5 | -66.8 | 166.2 | 0 | 0 | 0 | 112.1 | L229 V267 L270 I284 L326 K327 Q328 C333 T334 L388 | L229-L330 HydrophobicContact CD2-CD1 4.28Å; V267-L330 HydrophobicContact CG1-CD2 3.86Å; V267-L330 HydrophobicContact CG2-CD1 3.84Å; V267-L330 HydrophobicContact CG2-CD2 4.37Å; L270-L330 HydrophobicContact CD2-CD2 4.08Å; I284-L330 HydrophobicContact CD1-CD2 4.39Å; L326-L330 HydrophobicContact CD1-CD1 4.14Å; L326-L330 HydrophobicContact CD1-CD2 4.47Å; L326-L330 HydrophobicContact CD1-CG 4.11Å; L326-L330 HydrophobicContact CG-CD1 3.9Å; L326-L330 HydrophobicContact CG-CG 4.34Å; L326-L330 WeakPolarHBondContact O-CG 3.49Å; L326-L330 PolarHBondContact O-N 2.83Å; K327-L330 PolarHBondContact O-N 2.71Å; Q328-L330 VanDerWaalsContact C-N 3.33Å; Q328-L330 PolarHBondContact O-N 2.96Å; L330-C333 WeakPolarHBondContact O-CB 3.4Å; L330-C333 PolarHBondContact O-N 2.77Å; L330-T334 WeakPolarHBondContact O-CB 3.33Å; L330-T334 PolarHBondContact O-N 3.42Å; L330-T334 PolarHBondContact O-OG1 3.07Å; L330-L388 HydrophobicContact CB-CD1 3.89Å; L330-L388 HydrophobicContact CB-CD2 4.42Å; L330-L388 WeakPolarHBondContact O-CD1 3.44Å |
| 331 | I | 92.6 | Very high | 91.1 | Very high | 45 Ų | 45 | 20.8 Ų | 20.8 | 23% | 0.231 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.6 | -51.1 | 172.7 | -70 | 166.7 | 0 | 0 | 0 | 109.5 | K327 Q328 C333 T334 I335 L388 D458 | K327-I331 HydrophobicContact CG-CD1 4.29Å; K327-I331 WeakPolarHBondContact O-CG1 3.36Å; K327-I331 PolarHBondContact O-N 3.47Å; Q328-I331 WeakPolarHBondContact O-CB 3.4Å; Q328-I331 PolarHBondContact O-N 3.39Å; I331-C333 VanDerWaalsContact C-N 3.34Å; I331-C333 PolarHBondContact O-N 3.27Å; I331-T334 PolarHBondContact O-N 3.11Å; I331-T334 VanDerWaalsContact O-N 3.12Å; I331-I335 HydrophobicContact CG2-CD1 3.74Å; I331-I335 HydrophobicContact CG2-CG1 4.47Å; I331-I335 WeakPolarHBondContact O-CG1 3.47Å; I331-I335 PolarHBondContact O-N 3.49Å; I331-L388 HydrophobicContact CG1-CB 4.3Å; I331-L388 HydrophobicContact CG1-CD1 4.14Å; I331-D458 HydrophobicContact CG2-CB 4.36Å |
| 332 | R | 92.2 | Very high | 91.3 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 2% | 0.015 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.1 | -41.1 | 177.6 | -72 | -175.7 | -178.9 | -166.8 | -0 | 113 | Q328 L329 T334 I335 D336 D458 V462 I588 E589 N592 | Q328-R332 WeakPolarHBondContact O-CG 3.41Å; Q328-R332 PolarHBondContact O-N 3.01Å; L329-R332 PolarHBondContact O-N 2.85Å; R332-T334 VanDerWaalsContact C-N 3.32Å; R332-T334 PolarHBondContact O-N 3.36Å; R332-I335 PolarHBondContact O-N 3.2Å; R332-D336 PolarHBondContact O-N 2.72Å; R332-D458 HydrophobicContact CG-CB 4.07Å; R332-D458 IonicContact CZ-OD1 3.84Å; R332-D458 IonicContact NE-OD1 2.68Å; R332-D458 PolarHBondContact NE-OD1 2.83Å; R332-D458 IonicContact NH2-OD1 2.67Å; R332-D458 PolarHBondContact NH2-OD1 2.94Å; R332-V462 HydrophobicContact CB-CG2 3.58Å; R332-V462 HydrophobicContact CG-CG2 3.85Å; R332-V462 WeakPolarHBondContact O-CG2 3.33Å; R332-I588 VanDerWaalsContact NH1-CG2 3.31Å; R332-E589 IonicContact CZ-OE1 3.83Å; R332-E589 IonicContact NH1-OE1 2.87Å; R332-E589 IonicContact NH2-OE1 3.97Å; R332-E589 PolarHBondContact NH2-OE1 2.89Å; R332-N592 PolarHBondContact NH1-ND2 3.16Å |
| 333 | C | 91.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -57.9 | -43.8 | 173.7 | 165.9 | 0 | 0 | 0 | 0 | 112.1 | L276 I284 L329 L330 I331 D336 S337 | L276-C333 WeakPolarHBondContact CD1-SG 3.41Å; L276-C333 HydrophobicContact CD2-CB 4.26Å; L276-C333 WeakPolarHBondContact CD2-SG 3.39Å; I284-C333 HydrophobicContact CD1-CB 4.25Å; L329-C333 WeakPolarHBondContact O-CB 3.43Å; L329-C333 PolarHBondContact O-N 3.27Å; L330-C333 WeakPolarHBondContact O-CB 3.4Å; L330-C333 PolarHBondContact O-N 2.77Å; I331-C333 VanDerWaalsContact C-N 3.34Å; I331-C333 PolarHBondContact O-N 3.27Å; C333-D336 WeakPolarHBondContact O-CB 3.48Å; C333-D336 PolarHBondContact O-N 3.04Å; C333-S337 PolarHBondContact O-N 3.46Å |
| 334 | T | 93 | Very high | 91 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -71.6 | -38.7 | 179.6 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | L330 I331 R332 D336 S337 T338 Q384 L385 L388 | L330-T334 WeakPolarHBondContact O-CB 3.33Å; L330-T334 PolarHBondContact O-N 3.42Å; L330-T334 PolarHBondContact O-OG1 3.07Å; I331-T334 PolarHBondContact O-N 3.11Å; I331-T334 VanDerWaalsContact O-N 3.12Å; R332-T334 VanDerWaalsContact C-N 3.32Å; R332-T334 PolarHBondContact O-N 3.36Å; T334-D336 VanDerWaalsContact C-N 3.32Å; T334-D336 PolarHBondContact O-N 3.49Å; T334-S337 PolarHBondContact O-N 3.46Å; T334-T338 VanDerWaalsContact O-CB 3.23Å; T334-T338 WeakPolarHBondContact O-CB 3.35Å; T334-T338 PolarHBondContact O-N 3.24Å; T334-T338 PolarHBondContact O-OG1 3.45Å; T334-Q384 VanDerWaalsContact CG2-C 3.47Å; T334-Q384 HydrophobicContact CG2-CB 3.8Å; T334-L385 VanDerWaalsContact CG2-CA 3.44Å; T334-L385 HydrophobicContact CG2-CB 3.98Å; T334-L385 HydrophobicContact CG2-CD1 4.12Å; T334-L385 VanDerWaalsContact CG2-N 3.31Å; T334-L388 WeakPolarHBondContact OG1-CD1 3.43Å |
| 335 | I | 93.7 | Very high | 91 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.2 | -36.9 | 174.1 | -68.5 | 169.2 | 0 | 0 | 0 | 111.3 | I331 R332 T338 S339 I454 D458 F459 V462 | I331-I335 HydrophobicContact CG2-CD1 3.74Å; I331-I335 HydrophobicContact CG2-CG1 4.47Å; I331-I335 WeakPolarHBondContact O-CG1 3.47Å; I331-I335 PolarHBondContact O-N 3.49Å; R332-I335 PolarHBondContact O-N 3.2Å; I335-T338 PolarHBondContact O-N 3.07Å; I335-S339 WeakPolarHBondContact O-CB 3.41Å; I335-S339 PolarHBondContact O-N 2.84Å; I335-I454 HydrophobicContact CD1-CG2 4.32Å; I335-I454 HydrophobicContact CG1-CG1 4.41Å; I335-I454 HydrophobicContact CG1-CG2 4.35Å; I335-I454 HydrophobicContact CG2-CG2 4.35Å; I335-D458 HydrophobicContact CD1-CB 3.56Å; I335-F459 HydrophobicContact CG2-CB 4.34Å; I335-F459 HydrophobicContact CG2-CD2 3.97Å; I335-V462 HydrophobicContact CB-CG2 4.38Å; I335-V462 HydrophobicContact CG2-CB 4.11Å; I335-V462 HydrophobicContact CG2-CG1 4.11Å; I335-V462 HydrophobicContact CG2-CG2 4.26Å |
| 336 | D | 91.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.011 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.3 | -56 | 174.1 | 179 | 6.6 | 0 | 0 | 0 | 111.8 | R280 R332 C333 T334 T338 S339 N340 V462 L466 | R280-D336 IonicContact CZ-OD2 2.63Å; R280-D336 IonicContact NH1-OD1 3.79Å; R280-D336 IonicContact NH1-OD2 3.85Å; R280-D336 PolarHBondContact NH1-OD2 2.95Å; R332-D336 PolarHBondContact O-N 2.72Å; C333-D336 WeakPolarHBondContact O-CB 3.48Å; C333-D336 PolarHBondContact O-N 3.04Å; T334-D336 VanDerWaalsContact C-N 3.32Å; T334-D336 PolarHBondContact O-N 3.49Å; D336-T338 VanDerWaalsContact C-N 3.26Å; D336-T338 PolarHBondContact O-N 3.46Å; D336-S339 PolarHBondContact O-N 3.17Å; D336-N340 PolarHBondContact O-N 3.36Å; D336-N340 VanDerWaalsContact O-N 3.09Å; D336-N340 PolarHBondContact O-ND2 2.97Å; D336-N340 PolarHBondContact OD1-ND2 3.45Å; D336-V462 HydrophobicContact CB-CG1 3.87Å; D336-L466 WeakPolarHBondContact OD1-CD1 3.46Å; D336-L466 WeakPolarHBondContact OD1-CD2 3.34Å |
| 337 | S | 90.9 | Very high | 90.7 | Very high | 18 Ų | 18 | 24.6 Ų | 24.6 | 13% | 0.126 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -54.4 | -45.5 | 177 | -175.2 | 0 | 0 | 0 | 0 | 111.1 | C333 T334 A341 Q384 | C333-S337 PolarHBondContact O-N 3.46Å; T334-S337 PolarHBondContact O-N 3.46Å; S337-A341 VanDerWaalsContact O-CB 3.3Å; S337-A341 WeakPolarHBondContact O-CB 3.42Å; S337-A341 PolarHBondContact O-N 2.87Å; S337-Q384 PolarHBondContact OG-OE1 2.92Å |
| 338 | T | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.3 | -45.2 | -179.9 | -56.4 | 0 | 0 | 0 | 0 | 112.2 | T334 I335 D336 N340 A341 F342 S381 L385 V450 I454 | T334-T338 VanDerWaalsContact O-CB 3.23Å; T334-T338 WeakPolarHBondContact O-CB 3.35Å; T334-T338 PolarHBondContact O-N 3.24Å; T334-T338 PolarHBondContact O-OG1 3.45Å; I335-T338 PolarHBondContact O-N 3.07Å; D336-T338 VanDerWaalsContact C-N 3.26Å; D336-T338 PolarHBondContact O-N 3.46Å; T338-N340 VanDerWaalsContact C-N 3.33Å; T338-N340 PolarHBondContact O-N 2.91Å; T338-A341 CarbonylContact O-C 3.58Å; T338-A341 WeakPolarHBondContact O-CA 3.5Å; T338-A341 WeakPolarHBondContact O-CB 3.48Å; T338-A341 PolarHBondContact O-N 3.31Å; T338-F342 HydrophobicContact CG2-CD2 3.62Å; T338-F342 HydrophobicContact CG2-CE2 3.88Å; T338-F342 WeakPolarHBondContact O-CD2 3.46Å; T338-F342 PolarHBondContact O-N 3.02Å; T338-S381 PolarHBondContact OG1-O 3.12Å; T338-L385 HydrophobicContact CG2-CD2 4.5Å; T338-V450 HydrophobicContact CG2-CG1 3.29Å; T338-I454 HydrophobicContact CG2-CD1 3.97Å |
| 339 | S | 92.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58 | -46.5 | 178.4 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | I335 D336 A341 F342 M343 Y499 | I335-S339 WeakPolarHBondContact O-CB 3.41Å; I335-S339 PolarHBondContact O-N 2.84Å; D336-S339 PolarHBondContact O-N 3.17Å; S339-A341 VanDerWaalsContact C-N 3.29Å; S339-A341 PolarHBondContact O-N 2.8Å; S339-F342 PolarHBondContact O-N 3.4Å; S339-M343 WeakPolarHBondContact O-CB 3.3Å; S339-M343 PolarHBondContact O-N 2.85Å; S339-Y499 WeakPolarHBondContact OG-CE1 3.25Å |
| 340 | N | 90.8 | Very high | 90.8 | Very high | 58 Ų | 58 | 24.5 Ų | 24.5 | 31% | 0.31 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -66.5 | -32.7 | 175.2 | -63.1 | -43.4 | 0 | 0 | 0 | 112.2 | D336 T338 R374 R496 | D336-N340 PolarHBondContact O-N 3.36Å; D336-N340 VanDerWaalsContact O-N 3.09Å; D336-N340 PolarHBondContact O-ND2 2.97Å; D336-N340 PolarHBondContact OD1-ND2 3.45Å; T338-N340 VanDerWaalsContact C-N 3.33Å; T338-N340 PolarHBondContact O-N 2.91Å; N340-R374 PolarHBondContact O-NH2 2.83Å; N340-R496 PolarHBondContact OD1-NH2 3.44Å; N340-R496 VanDerWaalsContact OD1-NH2 3.14Å |
| 341 | A | 92.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 26 Ų | 26 | 2% | 0.017 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -72.8 | -32.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S337 T338 S339 R374 S381 | S337-A341 VanDerWaalsContact O-CB 3.3Å; S337-A341 WeakPolarHBondContact O-CB 3.42Å; S337-A341 PolarHBondContact O-N 2.87Å; T338-A341 CarbonylContact O-C 3.58Å; T338-A341 WeakPolarHBondContact O-CA 3.5Å; T338-A341 WeakPolarHBondContact O-CB 3.48Å; T338-A341 PolarHBondContact O-N 3.31Å; S339-A341 VanDerWaalsContact C-N 3.29Å; S339-A341 PolarHBondContact O-N 2.8Å; A341-R374 VanDerWaalsContact O-CZ 3.25Å; A341-R374 PolarHBondContact O-NH1 2.9Å; A341-R374 PolarHBondContact O-NH2 2.86Å; A341-S381 WeakPolarHBondContact CB-OG 3.33Å |
| 342 | F | 93.2 | Very high | 90.8 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.009 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -102.9 | -15.6 | -176.8 | -75.4 | -85 | 0 | 0 | 0 | 114.4 | T338 S339 A344 K345 M378 S381 A382 L446 Y447 V450 Y499 | T338-F342 HydrophobicContact CG2-CD2 3.62Å; T338-F342 HydrophobicContact CG2-CE2 3.88Å; T338-F342 WeakPolarHBondContact O-CD2 3.46Å; T338-F342 PolarHBondContact O-N 3.02Å; S339-F342 PolarHBondContact O-N 3.4Å; F342-A344 PolarHBondContact O-N 3.27Å; F342-K345 PolarHBondContact O-N 3.46Å; F342-M378 HydrophobicContact CD1-CG 3.94Å; F342-M378 HydrophobicContact CD1-SD 4.01Å; F342-M378 HydrophobicContact CD2-CG 4.49Å; F342-M378 HydrophobicContact CE1-CG 3.33Å; F342-M378 HydrophobicContact CE1-SD 3.6Å; F342-M378 HydrophobicContact CE2-CG 3.92Å; F342-M378 HydrophobicContact CZ-CG 3.3Å; F342-M378 HydrophobicContact CZ-SD 4.21Å; F342-S381 WeakPolarHBondContact CE2-OG 3.13Å; F342-A382 HydrophobicContact CE2-CB 4.43Å; F342-A382 HydrophobicContact CZ-CB 4.23Å; F342-L446 HydrophobicContact CE1-CD2 3.91Å; F342-L446 HydrophobicContact CE1-CG 3.78Å; F342-L446 HydrophobicContact CZ-CD1 4.47Å; F342-L446 HydrophobicContact CZ-CD2 3.76Å; F342-L446 HydrophobicContact CZ-CG 3.7Å; F342-Y447 HydrophobicContact CB-CD2 4.16Å; F342-Y447 HydrophobicContact CB-CE2 4.27Å; F342-Y447 AromaticContact CD1-CD2 3.82Å; F342-Y447 HydrophobicContact CD1-CD2 3.82Å; F342-Y447 HydrophobicContact CG-CD2 4.37Å; F342-V450 HydrophobicContact CD2-CG1 3.98Å; F342-V450 HydrophobicContact CE1-CG2 4.41Å; F342-V450 HydrophobicContact CE2-CB 4.3Å; F342-V450 HydrophobicContact CE2-CG1 3.93Å; F342-V450 HydrophobicContact CE2-CG2 3.86Å; F342-V450 HydrophobicContact CG-CG1 4.49Å; F342-V450 HydrophobicContact CZ-CB 4.27Å; F342-V450 HydrophobicContact CZ-CG1 4.37Å; F342-V450 HydrophobicContact CZ-CG2 3.68Å; F342-Y499 HydrophobicContact CB-CE2 4.48Å |
| 343 | M | 87.6 | Confident | 90.9 | Very high | 7 Ų | 7 | 24.4 Ų | 24.4 | 3% | 0.034 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 133.2 | 170.5 | -178.5 | -174.2 | -49 | 0 | 0 | 111.3 | S339 K345 R374 Q495 R496 | S339-M343 WeakPolarHBondContact O-CB 3.3Å; S339-M343 PolarHBondContact O-N 2.85Å; M343-K345 VanDerWaalsContact C-N 3.29Å; M343-K345 PolarHBondContact O-N 3.15Å; M343-R374 PolarHBondContact O-NH2 2.88Å; M343-Q495 HydrophobicContact CG-CB 3.59Å; M343-Q495 HydrophobicContact SD-CB 3.51Å; M343-Q495 VanDerWaalsContact SD-CB 3.51Å; M343-R496 HydrophobicContact CE-CB 3.39Å; M343-R496 HydrophobicContact CE-CG 3.64Å; M343-R496 HydrophobicContact SD-CB 4.03Å; M343-R496 PolarHBondContact SD-N 3.09Å; M343-R496 VanDerWaalsContact SD-N 3.43Å |
| 344 | A | 82.6 | Confident | 91 | Very high | 31 Ų | 31 | 27.8 Ų | 27.8 | 26% | 0.256 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 40.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | F342 E346 T347 Q495 | F342-A344 PolarHBondContact O-N 3.27Å; A344-E346 PolarHBondContact O-N 3.44Å; A344-T347 WeakPolarHBondContact CB-OG1 3.48Å; A344-T347 WeakPolarHBondContact O-CB 3.21Å; A344-T347 PolarHBondContact O-N 3.29Å; A344-T347 VanDerWaalsContact O-N 3.07Å; A344-T347 PolarHBondContact O-OG1 3.11Å; A344-Q495 HydrophobicContact CB-CB 4.36Å; A344-Q495 VanDerWaalsContact CB-CD 3.42Å; A344-Q495 HydrophobicContact CB-CG 3.97Å |
| 345 | K | 85.6 | Confident | 91.1 | Very high | 43 Ų | 43 | 27.8 Ų | 27.8 | 19% | 0.187 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -32 | -176.9 | 67.8 | -178.4 | 177.3 | 177.3 | 0 | 114.8 | F342 M343 V443 N444 Y447 | F342-K345 PolarHBondContact O-N 3.46Å; M343-K345 VanDerWaalsContact C-N 3.29Å; M343-K345 PolarHBondContact O-N 3.15Å; K345-V443 HydrophobicContact CD-CG1 4.2Å; K345-N444 PolarHBondContact NZ-OD1 3.19Å; K345-Y447 HydrophobicContact CD-CD2 3.73Å; K345-Y447 HydrophobicContact CD-CE2 4.12Å; K345-Y447 HydrophobicContact CD-CG 4.03Å |
| 346 | E | 86.9 | Confident | 91.1 | Very high | 124 Ų | 124 | 28 Ų | 28 | 58% | 0.579 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -20.7 | -175.4 | -62.1 | 177.8 | 175.4 | 0 | 0 | 113.7 | A344 C348 L349 M350 | A344-E346 PolarHBondContact O-N 3.44Å; E346-C348 VanDerWaalsContact C-N 3.34Å; E346-C348 PolarHBondContact O-N 2.91Å; E346-L349 PolarHBondContact O-N 3.39Å; E346-L349 VanDerWaalsContact O-N 3.14Å; E346-M350 HydrophobicContact CB-CE 4.16Å; E346-M350 PolarHBondContact O-N 3.21Å |
| 347 | T | 88.1 | Confident | 91 | Very high | 63 Ų | 63 | 34.7 Ų | 34.7 | 39% | 0.387 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.6 | -41.5 | -168.7 | -49.3 | 0 | 0 | 0 | 0 | 113.3 | A344 A351 | A344-T347 WeakPolarHBondContact CB-OG1 3.48Å; A344-T347 WeakPolarHBondContact O-CB 3.21Å; A344-T347 PolarHBondContact O-N 3.29Å; A344-T347 VanDerWaalsContact O-N 3.07Å; A344-T347 PolarHBondContact O-OG1 3.11Å; T347-A351 WeakPolarHBondContact O-CB 3.19Å; T347-A351 PolarHBondContact O-N 2.9Å |
| 348 | C | 87.5 | Confident | 90.7 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -73.1 | -33.8 | -177.4 | -63.9 | 0 | 0 | 0 | 0 | 112.1 | E346 A351 L352 F371 R374 | E346-C348 VanDerWaalsContact C-N 3.34Å; E346-C348 PolarHBondContact O-N 2.91Å; C348-A351 PolarHBondContact O-N 3.27Å; C348-L352 PolarHBondContact O-N 2.9Å; C348-F371 HydrophobicContact CB-CD2 4.26Å; C348-R374 HydrophobicContact CB-CB 4.38Å; C348-R374 HydrophobicContact CB-CG 4.46Å; C348-R374 VanDerWaalsContact SG-CG 3.53Å |
| 349 | L | 93.3 | Very high | 89.8 | Confident | 10 Ų | 10 | 42.6 Ų | 42.6 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.2 | -38.4 | 176.3 | -174.7 | 59.8 | 0 | 0 | 0 | 111 | E346 L352 N353 F371 L412 R436 Y439 E440 | E346-L349 PolarHBondContact O-N 3.39Å; E346-L349 VanDerWaalsContact O-N 3.14Å; L349-L352 HydrophobicContact CD1-CD2 4.43Å; L349-L352 PolarHBondContact O-N 3.45Å; L349-N353 WeakPolarHBondContact O-CB 3.36Å; L349-N353 PolarHBondContact O-N 3.06Å; L349-N353 PolarHBondContact O-ND2 3.14Å; L349-F371 HydrophobicContact CD1-CE2 4.11Å; L349-L412 HydrophobicContact CD1-CD2 4.18Å; L349-R436 HydrophobicContact CD1-CG 4.23Å; L349-R436 HydrophobicContact CD2-CG 4.08Å; L349-Y439 HydrophobicContact CD1-CD1 4.49Å; L349-Y439 HydrophobicContact CD2-CD1 4.07Å; L349-Y439 HydrophobicContact CD2-CE1 4.22Å; L349-E440 HydrophobicContact CD2-CG 3.35Å; L349-E440 WeakPolarHBondContact CD2-OE1 3.37Å |
| 350 | M | 93.3 | Very high | 89.7 | Confident | 96 Ų | 96 | 45.9 Ų | 45.9 | 47% | 0.473 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.9 | -46.3 | 170.5 | -70.2 | -166.9 | -74.8 | 0 | 0 | 111.7 | E346 L352 N353 D354 | E346-M350 HydrophobicContact CB-CE 4.16Å; E346-M350 PolarHBondContact O-N 3.21Å; M350-L352 VanDerWaalsContact C-N 3.3Å; M350-L352 PolarHBondContact O-N 3.11Å; M350-N353 PolarHBondContact O-N 3.31Å; M350-D354 WeakPolarHBondContact O-CB 3.49Å; M350-D354 PolarHBondContact O-N 2.86Å |
| 351 | A | 92.4 | Very high | 89.7 | Confident | 31 Ų | 31 | 48.4 Ų | 48.4 | 26% | 0.256 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.9 | -38.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T347 C348 A355 | T347-A351 WeakPolarHBondContact O-CB 3.19Å; T347-A351 PolarHBondContact O-N 2.9Å; C348-A351 PolarHBondContact O-N 3.27Å; A351-A355 WeakPolarHBondContact O-CB 3.35Å; A351-A355 PolarHBondContact O-N 3.06Å |
| 352 | L | 95.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.6 | -48.9 | 174.1 | -174.8 | 64.2 | 0 | 0 | 0 | 111.1 | C348 L349 M350 D354 A355 T356 I364 A367 F371 L412 A416 | C348-L352 PolarHBondContact O-N 2.9Å; L349-L352 HydrophobicContact CD1-CD2 4.43Å; L349-L352 PolarHBondContact O-N 3.45Å; M350-L352 VanDerWaalsContact C-N 3.3Å; M350-L352 PolarHBondContact O-N 3.11Å; L352-D354 VanDerWaalsContact C-N 3.34Å; L352-D354 PolarHBondContact O-N 3.4Å; L352-A355 PolarHBondContact O-N 3.32Å; L352-A355 VanDerWaalsContact O-N 3.16Å; L352-T356 WeakPolarHBondContact O-CG2 3.2Å; L352-T356 PolarHBondContact O-N 3.34Å; L352-I364 HydrophobicContact CD1-CD1 4.02Å; L352-A367 HydrophobicContact CD1-CB 4.35Å; L352-F371 HydrophobicContact CD2-CD1 4.16Å; L352-F371 HydrophobicContact CD2-CD2 4.34Å; L352-F371 HydrophobicContact CD2-CE1 4.36Å; L352-F371 HydrophobicContact CD2-CG 4.15Å; L352-L412 HydrophobicContact CD2-CD2 4.41Å; L352-L412 HydrophobicContact CD2-CG 4.34Å; L352-A416 HydrophobicContact CD1-CB 3.95Å; L352-A416 HydrophobicContact CD2-CB 4.42Å; L352-A416 HydrophobicContact CG-CB 4.3Å |
| 353 | N | 94.2 | Very high | 89.6 | Confident | 15 Ų | 15 | 61.2 Ų | 61.2 | 8% | 0.08 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.2 | -46.6 | 177.1 | -69.1 | -23.5 | 0 | 0 | 0 | 111.6 | L349 M350 A355 T356 K357 Y432 R436 | L349-N353 WeakPolarHBondContact O-CB 3.36Å; L349-N353 PolarHBondContact O-N 3.06Å; L349-N353 PolarHBondContact O-ND2 3.14Å; M350-N353 PolarHBondContact O-N 3.31Å; N353-A355 VanDerWaalsContact C-N 3.31Å; N353-A355 PolarHBondContact O-N 2.87Å; N353-T356 PolarHBondContact O-N 3.15Å; N353-T356 PolarHBondContact O-OG1 3.04Å; N353-K357 PolarHBondContact O-N 2.94Å; N353-Y432 VanDerWaalsContact OD1-CE1 3.23Å; N353-Y432 WeakPolarHBondContact OD1-CE1 3.2Å; N353-Y432 PolarHBondContact OD1-OH 2.97Å; N353-R436 PolarHBondContact ND2-NE 2.96Å |
| 354 | D | 93.5 | Very high | 90 | Very high | 72 Ų | 72 | 61 Ų | 61 | 39% | 0.385 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 178.3 | -73 | -11.6 | 0 | 0 | 0 | 112.1 | M350 L352 T356 K357 F358 | M350-D354 WeakPolarHBondContact O-CB 3.49Å; M350-D354 PolarHBondContact O-N 2.86Å; L352-D354 VanDerWaalsContact C-N 3.34Å; L352-D354 PolarHBondContact O-N 3.4Å; D354-T356 VanDerWaalsContact C-N 3.35Å; D354-K357 PolarHBondContact O-N 3.37Å; D354-F358 PolarHBondContact O-N 3.12Å |
| 355 | A | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.3 | -34.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A351 L352 N353 K357 G359 R363 I364 A367 | A351-A355 WeakPolarHBondContact O-CB 3.35Å; A351-A355 PolarHBondContact O-N 3.06Å; L352-A355 PolarHBondContact O-N 3.32Å; L352-A355 VanDerWaalsContact O-N 3.16Å; N353-A355 VanDerWaalsContact C-N 3.31Å; N353-A355 PolarHBondContact O-N 2.87Å; A355-K357 VanDerWaalsContact C-N 3.29Å; A355-K357 PolarHBondContact O-N 2.84Å; A355-G359 VanDerWaalsContact O-CA 3.27Å; A355-G359 WeakPolarHBondContact O-CA 3.21Å; A355-G359 PolarHBondContact O-N 3.13Å; A355-G359 VanDerWaalsContact O-N 3.12Å; A355-R363 HydrophobicContact CB-CG 4.18Å; A355-I364 HydrophobicContact CB-CB 4.26Å; A355-I364 HydrophobicContact CB-CD1 3.75Å; A355-A367 HydrophobicContact CB-CB 3.76Å |
| 356 | T | 93.3 | Very high | 91 | Very high | 6 Ų | 6 | 63.3 Ų | 63.3 | 4% | 0.037 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.1 | -28.4 | 174.5 | 64.4 | 0 | 0 | 0 | 0 | 113.1 | L352 N353 D354 I364 A416 L419 | L352-T356 WeakPolarHBondContact O-CG2 3.2Å; L352-T356 PolarHBondContact O-N 3.34Å; N353-T356 PolarHBondContact O-N 3.15Å; N353-T356 PolarHBondContact O-OG1 3.04Å; D354-T356 VanDerWaalsContact C-N 3.35Å; T356-I364 HydrophobicContact CG2-CD1 3.99Å; T356-A416 HydrophobicContact CG2-CB 3.83Å; T356-L419 HydrophobicContact CG2-CD2 4.44Å |
| 357 | K | 89.6 | Confident | 91.4 | Very high | 142 Ų | 142 | 57.8 Ų | 57.8 | 62% | 0.617 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -93.3 | -40.8 | -177 | -67.6 | -178.9 | 180 | -177.9 | 0 | 114 | N353 D354 A355 | N353-K357 PolarHBondContact O-N 2.94Å; D354-K357 PolarHBondContact O-N 3.37Å; A355-K357 VanDerWaalsContact C-N 3.29Å; A355-K357 PolarHBondContact O-N 2.84Å |
| 358 | F | 84.9 | Confident | 91.8 | Very high | 158 Ų | 158 | 55 Ų | 55 | 69% | 0.693 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -132.1 | 20.1 | -168.3 | -52.5 | -68.6 | 0 | 0 | 0 | 113.1 | D354 R363 | D354-F358 PolarHBondContact O-N 3.12Å; F358-R363 PolarHBondContact O-NH1 2.8Å |
| 359 | G | 75.9 | Confident | 92.2 | Very high | 25 Ų | 25 | 60.8 Ų | 60.8 | 26% | 0.258 | 32% | 0.315 | S | S | . | . | trans | -88.3 | 165.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | A355 F420 | A355-G359 VanDerWaalsContact O-CA 3.27Å; A355-G359 WeakPolarHBondContact O-CA 3.21Å; A355-G359 PolarHBondContact O-N 3.13Å; A355-G359 VanDerWaalsContact O-N 3.12Å; G359-F420 WeakPolarHBondContact O-CE2 3.34Å | ||
| 360 | C | 89.2 | Confident | 92.2 | Very high | 70 Ų | 70 | 64.3 Ų | 64.3 | 47% | 0.473 | 33% | 0.334 | S | S | . | . | trans | -107.9 | 171.3 | 154 | 62.8 | 0 | 0 | 0 | 0 | 108.6 | Q362 R363 I364 | C360-Q362 PolarHBondContact O-N 3.29Å; C360-Q362 VanDerWaalsContact O-N 3.17Å; C360-R363 PolarHBondContact O-N 3.25Å; C360-I364 PolarHBondContact O-N 3.25Å; C360-I364 VanDerWaalsContact O-N 3.08Å | ||
| 361 | D | 90.4 | Very high | 92.3 | Very high | 111 Ų | 111 | 59.8 Ų | 59.8 | 59% | 0.594 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -50 | -44.1 | 179.4 | -61.9 | -32.7 | 0 | 0 | 0 | 112.3 | R363 I364 D365 F420 | D361-R363 VanDerWaalsContact C-N 3.32Å; D361-R363 PolarHBondContact O-N 3.44Å; D361-I364 WeakPolarHBondContact O-CG2 3.21Å; D361-I364 PolarHBondContact O-N 3.07Å; D361-D365 WeakPolarHBondContact O-CB 3.49Å; D361-D365 VanDerWaalsContact O-CG 3.24Å; D361-D365 PolarHBondContact O-N 3.03Å; D361-F420 VanDerWaalsContact OD1-CE1 3.25Å; D361-F420 WeakPolarHBondContact OD1-CE1 3.44Å |
| 362 | Q | 92.2 | Very high | 92.5 | Very high | 159 Ų | 159 | 63.3 Ų | 63.3 | 74% | 0.743 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64 | -35.3 | 178.4 | -64.2 | 178.1 | -4.1 | 0 | 0 | 113.2 | C360 A366 | C360-Q362 PolarHBondContact O-N 3.29Å; C360-Q362 VanDerWaalsContact O-N 3.17Å; Q362-A366 VanDerWaalsContact O-CB 3.29Å; Q362-A366 WeakPolarHBondContact O-CB 3.4Å; Q362-A366 PolarHBondContact O-N 3.19Å |
| 363 | R | 92.5 | Very high | 92.4 | Very high | 114 Ų | 114 | 70.3 Ų | 70.3 | 43% | 0.43 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -74.9 | -40 | -178.3 | -173.8 | 174.5 | 176.6 | -175.3 | 1.9 | 111.3 | A355 F358 C360 D361 A367 | A355-R363 HydrophobicContact CB-CG 4.18Å; F358-R363 PolarHBondContact O-NH1 2.8Å; C360-R363 PolarHBondContact O-N 3.25Å; D361-R363 VanDerWaalsContact C-N 3.32Å; D361-R363 PolarHBondContact O-N 3.44Å; R363-A367 VanDerWaalsContact O-CB 3.3Å; R363-A367 WeakPolarHBondContact O-CB 3.36Å; R363-A367 PolarHBondContact O-N 2.98Å |
| 364 | I | 95 | Very high | 92.3 | Very high | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.9 | -41.9 | 175.7 | -172.4 | 66.8 | 0 | 0 | 0 | 110.7 | L352 A355 T356 C360 D361 A366 A367 C368 Y417 F420 | L352-I364 HydrophobicContact CD1-CD1 4.02Å; A355-I364 HydrophobicContact CB-CB 4.26Å; A355-I364 HydrophobicContact CB-CD1 3.75Å; T356-I364 HydrophobicContact CG2-CD1 3.99Å; C360-I364 PolarHBondContact O-N 3.25Å; C360-I364 VanDerWaalsContact O-N 3.08Å; D361-I364 WeakPolarHBondContact O-CG2 3.21Å; D361-I364 PolarHBondContact O-N 3.07Å; I364-A366 PolarHBondContact O-N 2.78Å; I364-A367 PolarHBondContact O-N 3.49Å; I364-C368 WeakPolarHBondContact O-CB 3.25Å; I364-C368 PolarHBondContact O-N 3.05Å; I364-C368 PolarHBondContact O-SG 3.11Å; I364-Y417 HydrophobicContact CB-CE1 4.45Å; I364-Y417 HydrophobicContact CG1-CD1 4.01Å; I364-Y417 HydrophobicContact CG1-CE1 3.84Å; I364-Y417 HydrophobicContact CG2-CD1 4.33Å; I364-Y417 HydrophobicContact CG2-CE1 3.87Å; I364-F420 HydrophobicContact CG2-CD1 4.23Å; I364-F420 HydrophobicContact CG2-CE1 4.21Å; I364-F420 HydrophobicContact CG2-CG 4.44Å; I364-F420 HydrophobicContact CG2-CZ 4.4Å |
| 365 | D | 95.2 | Very high | 92.4 | Very high | 68 Ų | 68 | 69.1 Ų | 69.1 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.9 | -48.6 | 174.5 | -73.8 | -18.6 | 0 | 0 | 0 | 111.5 | D361 A367 C368 Q369 Y417 | D361-D365 WeakPolarHBondContact O-CB 3.49Å; D361-D365 VanDerWaalsContact O-CG 3.24Å; D361-D365 PolarHBondContact O-N 3.03Å; D365-A367 PolarHBondContact O-N 3.41Å; D365-C368 PolarHBondContact O-N 3.13Å; D365-Q369 WeakPolarHBondContact O-CB 3.44Å; D365-Q369 VanDerWaalsContact O-CG 3.29Å; D365-Q369 WeakPolarHBondContact O-CG 3.36Å; D365-Q369 PolarHBondContact O-N 3.31Å; D365-Y417 PolarHBondContact OD1-OH 3.43Å |
| 366 | A | 94.5 | Very high | 92.4 | Very high | 55 Ų | 55 | 73.5 Ų | 73.5 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q362 I364 L370 | Q362-A366 VanDerWaalsContact O-CB 3.29Å; Q362-A366 WeakPolarHBondContact O-CB 3.4Å; Q362-A366 PolarHBondContact O-N 3.19Å; I364-A366 PolarHBondContact O-N 2.78Å; A366-L370 VanDerWaalsContact O-CB 3.28Å; A366-L370 WeakPolarHBondContact O-CB 3.43Å; A366-L370 PolarHBondContact O-N 2.67Å |
| 367 | A | 95.3 | Very high | 92.3 | Very high | 8 Ų | 8 | 75.2 Ų | 75.2 | 7% | 0.066 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L352 A355 R363 I364 D365 L370 F371 | L352-A367 HydrophobicContact CD1-CB 4.35Å; A355-A367 HydrophobicContact CB-CB 3.76Å; R363-A367 VanDerWaalsContact O-CB 3.3Å; R363-A367 WeakPolarHBondContact O-CB 3.36Å; R363-A367 PolarHBondContact O-N 2.98Å; I364-A367 PolarHBondContact O-N 3.49Å; D365-A367 PolarHBondContact O-N 3.41Å; A367-L370 PolarHBondContact O-N 3.22Å; A367-F371 VanDerWaalsContact O-CB 3.22Å; A367-F371 WeakPolarHBondContact O-CB 3.49Å; A367-F371 PolarHBondContact O-N 2.88Å |
| 368 | C | 96 | Very high | 92.6 | Very high | 4 Ų | 4 | 68.8 Ų | 68.8 | 3% | 0.027 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 176.7 | -70.4 | 0 | 0 | 0 | 0 | 112.2 | I364 D365 F371 Q372 I413 Y417 | I364-C368 WeakPolarHBondContact O-CB 3.25Å; I364-C368 PolarHBondContact O-N 3.05Å; I364-C368 PolarHBondContact O-SG 3.11Å; D365-C368 PolarHBondContact O-N 3.13Å; C368-F371 PolarHBondContact O-N 3.26Å; C368-Q372 WeakPolarHBondContact O-CB 3.29Å; C368-Q372 PolarHBondContact O-N 3.07Å; C368-I413 HydrophobicContact CB-CG1 4.39Å; C368-I413 HydrophobicContact CB-CG2 4.12Å; C368-Y417 HydrophobicContact CB-CE2 4.4Å |
| 369 | Q | 95.5 | Very high | 93 | Very high | 132 Ų | 132 | 61.8 Ų | 61.8 | 62% | 0.617 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -63.3 | -43.1 | 176.4 | -72.2 | 175.8 | 29.5 | 0 | 0 | 111.7 | D365 K373 | D365-Q369 WeakPolarHBondContact O-CB 3.44Å; D365-Q369 VanDerWaalsContact O-CG 3.29Å; D365-Q369 WeakPolarHBondContact O-CG 3.36Å; D365-Q369 PolarHBondContact O-N 3.31Å; Q369-K373 VanDerWaalsContact O-CB 3.23Å; Q369-K373 WeakPolarHBondContact O-CB 3.44Å; Q369-K373 PolarHBondContact O-N 3.47Å |
| 370 | L | 93.7 | Very high | 93.9 | Very high | 84 Ų | 84 | 62.9 Ų | 62.9 | 44% | 0.44 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 176.2 | 178.5 | 61.2 | 0 | 0 | 0 | 111.1 | A366 A367 K373 R374 | A366-L370 VanDerWaalsContact O-CB 3.28Å; A366-L370 WeakPolarHBondContact O-CB 3.43Å; A366-L370 PolarHBondContact O-N 2.67Å; A367-L370 PolarHBondContact O-N 3.22Å; L370-K373 PolarHBondContact O-N 3.14Å; L370-R374 WeakPolarHBondContact O-CB 3.21Å; L370-R374 PolarHBondContact O-N 2.85Å |
| 371 | F | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.6 | -53.3 | 177.3 | -177.8 | -108.6 | 0 | 0 | 0 | 111.1 | C348 L349 L352 A367 C368 K373 R374 S375 V409 L412 I413 Y439 | C348-F371 HydrophobicContact CB-CD2 4.26Å; L349-F371 HydrophobicContact CD1-CE2 4.11Å; L352-F371 HydrophobicContact CD2-CD1 4.16Å; L352-F371 HydrophobicContact CD2-CD2 4.34Å; L352-F371 HydrophobicContact CD2-CE1 4.36Å; L352-F371 HydrophobicContact CD2-CG 4.15Å; A367-F371 VanDerWaalsContact O-CB 3.22Å; A367-F371 WeakPolarHBondContact O-CB 3.49Å; A367-F371 PolarHBondContact O-N 2.88Å; C368-F371 PolarHBondContact O-N 3.26Å; F371-K373 PolarHBondContact O-N 3.22Å; F371-R374 PolarHBondContact O-N 2.96Å; F371-S375 PolarHBondContact O-N 3.43Å; F371-S375 PolarHBondContact O-OG 3.35Å; F371-V409 HydrophobicContact CD1-CG1 4.14Å; F371-V409 HydrophobicContact CE1-CB 4.22Å; F371-V409 HydrophobicContact CE1-CG1 3.94Å; F371-V409 HydrophobicContact CE1-CG2 3.85Å; F371-V409 HydrophobicContact CZ-CG2 4.19Å; F371-L412 HydrophobicContact CE1-CD2 4.01Å; F371-L412 HydrophobicContact CZ-CD2 3.67Å; F371-I413 HydrophobicContact CD1-CD1 4.28Å; F371-I413 HydrophobicContact CD1-CG1 4.04Å; F371-Y439 HydrophobicContact CE1-CE2 4.39Å; F371-Y439 HydrophobicContact CE2-CD1 4.42Å; F371-Y439 AromaticContact CE2-CE1 3.67Å; F371-Y439 HydrophobicContact CE2-CE1 3.67Å; F371-Y439 HydrophobicContact CE2-CE2 4.03Å; F371-Y439 AromaticContact CE2-CZ 3.44Å; F371-Y439 VanDerWaalsContact CE2-CZ 3.44Å; F371-Y439 WeakPolarHBondContact CE2-OH 3.38Å; F371-Y439 HydrophobicContact CZ-CD1 4.22Å; F371-Y439 AromaticContact CZ-CD2 3.96Å; F371-Y439 HydrophobicContact CZ-CD2 3.96Å; F371-Y439 AromaticContact CZ-CE1 3.79Å; F371-Y439 HydrophobicContact CZ-CE1 3.79Å; F371-Y439 AromaticContact CZ-CE2 3.47Å; F371-Y439 HydrophobicContact CZ-CE2 3.47Å; F371-Y439 VanDerWaalsContact CZ-CE2 3.47Å; F371-Y439 HydrophobicContact CZ-CG 4.31Å; F371-Y439 AromaticContact CZ-CZ 3.39Å |
| 372 | Q | 96 | Very high | 94.4 | Very high | 106 Ų | 106 | 54.3 Ų | 54.3 | 50% | 0.495 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.1 | -47.4 | 178.5 | -171.3 | 178.5 | 14.5 | 0 | 0 | 112.3 | C368 R374 S375 V376 V409 I413 | C368-Q372 WeakPolarHBondContact O-CB 3.29Å; C368-Q372 PolarHBondContact O-N 3.07Å; Q372-R374 VanDerWaalsContact C-N 3.3Å; Q372-R374 PolarHBondContact O-N 2.9Å; Q372-S375 PolarHBondContact O-N 2.83Å; Q372-V376 WeakPolarHBondContact O-CG2 3.46Å; Q372-V376 PolarHBondContact O-N 3.15Å; Q372-V376 VanDerWaalsContact O-N 3.07Å; Q372-V409 HydrophobicContact CG-CG1 4.45Å; Q372-I413 HydrophobicContact CB-CD1 4.07Å |
| 373 | K | 93.6 | Very high | 94.5 | Very high | 146 Ų | 146 | 50.2 Ų | 50.2 | 64% | 0.635 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -61.2 | -39.5 | 179.4 | -176.9 | 179.3 | 179.9 | 179.4 | 0 | 111.8 | Q369 L370 F371 S377 | Q369-K373 VanDerWaalsContact O-CB 3.23Å; Q369-K373 WeakPolarHBondContact O-CB 3.44Å; Q369-K373 PolarHBondContact O-N 3.47Å; L370-K373 PolarHBondContact O-N 3.14Å; F371-K373 PolarHBondContact O-N 3.22Å; K373-S377 PolarHBondContact O-N 3.28Å |
| 374 | R | 92.2 | Very high | 94.6 | Very high | 60 Ų | 60 | 45.1 Ų | 45.1 | 23% | 0.226 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69 | -43.9 | 178.8 | -162.3 | 86.7 | 174.6 | 84.5 | -6.8 | 111.1 | N340 A341 M343 C348 L370 F371 Q372 V376 S377 M378 | N340-R374 PolarHBondContact O-NH2 2.83Å; A341-R374 VanDerWaalsContact O-CZ 3.25Å; A341-R374 PolarHBondContact O-NH1 2.9Å; A341-R374 PolarHBondContact O-NH2 2.86Å; M343-R374 PolarHBondContact O-NH2 2.88Å; C348-R374 HydrophobicContact CB-CB 4.38Å; C348-R374 HydrophobicContact CB-CG 4.46Å; C348-R374 VanDerWaalsContact SG-CG 3.53Å; L370-R374 WeakPolarHBondContact O-CB 3.21Å; L370-R374 PolarHBondContact O-N 2.85Å; F371-R374 PolarHBondContact O-N 2.96Å; Q372-R374 VanDerWaalsContact C-N 3.3Å; Q372-R374 PolarHBondContact O-N 2.9Å; R374-V376 PolarHBondContact O-N 3.12Å; R374-S377 WeakPolarHBondContact O-CB 3.4Å; R374-S377 PolarHBondContact O-N 2.84Å; R374-M378 PolarHBondContact O-N 3.18Å |
| 375 | S | 94.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.9 | -45.4 | 178.3 | -54.4 | 0 | 0 | 0 | 0 | 111.7 | F371 Q372 S377 M378 I379 V409 Y439 | F371-S375 PolarHBondContact O-N 3.43Å; F371-S375 PolarHBondContact O-OG 3.35Å; Q372-S375 PolarHBondContact O-N 2.83Å; S375-S377 VanDerWaalsContact C-N 3.32Å; S375-S377 PolarHBondContact O-N 2.67Å; S375-M378 PolarHBondContact O-N 3.42Å; S375-I379 WeakPolarHBondContact O-CD1 3.34Å; S375-I379 WeakPolarHBondContact O-CG1 3.49Å; S375-I379 PolarHBondContact O-N 3.41Å; S375-V409 WeakPolarHBondContact OG-CG2 3.4Å; S375-Y439 PolarHBondContact OG-OH 2.99Å |
| 376 | V | 94.1 | Very high | 94.5 | Very high | 91 Ų | 91 | 42.5 Ų | 42.5 | 55% | 0.552 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -59.8 | -42.3 | 175.4 | 172 | 0 | 0 | 0 | 0 | 111.5 | Q372 R374 M378 S380 | Q372-V376 WeakPolarHBondContact O-CG2 3.46Å; Q372-V376 PolarHBondContact O-N 3.15Å; Q372-V376 VanDerWaalsContact O-N 3.07Å; R374-V376 PolarHBondContact O-N 3.12Å; V376-M378 PolarHBondContact O-N 2.94Å; V376-S380 VanDerWaalsContact O-CB 3.31Å; V376-S380 WeakPolarHBondContact O-CB 3.29Å; V376-S380 PolarHBondContact O-N 3.33Å |
| 377 | S | 92.3 | Very high | 94.4 | Very high | 43 Ų | 43 | 42.3 Ų | 42.3 | 30% | 0.301 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 177.5 | -167.3 | 0 | 0 | 0 | 0 | 112.3 | K373 R374 S375 S381 | K373-S377 PolarHBondContact O-N 3.28Å; R374-S377 WeakPolarHBondContact O-CB 3.4Å; R374-S377 PolarHBondContact O-N 2.84Å; S375-S377 VanDerWaalsContact C-N 3.32Å; S375-S377 PolarHBondContact O-N 2.67Å; S377-S381 WeakPolarHBondContact O-CB 3.44Å; S377-S381 PolarHBondContact O-N 3.27Å; S377-S381 PolarHBondContact O-OG 3.38Å |
| 378 | M | 94.4 | Very high | 94.2 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 3% | 0.034 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.5 | -50 | 179 | -173.6 | 174.7 | 53.4 | 0 | 0 | 111.1 | F342 R374 S375 V376 S380 S381 A382 I405 V443 L446 | F342-M378 HydrophobicContact CD1-CG 3.94Å; F342-M378 HydrophobicContact CD1-SD 4.01Å; F342-M378 HydrophobicContact CD2-CG 4.49Å; F342-M378 HydrophobicContact CE1-CG 3.33Å; F342-M378 HydrophobicContact CE1-SD 3.6Å; F342-M378 HydrophobicContact CE2-CG 3.92Å; F342-M378 HydrophobicContact CZ-CG 3.3Å; F342-M378 HydrophobicContact CZ-SD 4.21Å; R374-M378 PolarHBondContact O-N 3.18Å; S375-M378 PolarHBondContact O-N 3.42Å; V376-M378 PolarHBondContact O-N 2.94Å; M378-S380 PolarHBondContact O-N 2.57Å; M378-S381 PolarHBondContact O-N 3.48Å; M378-S381 PolarHBondContact O-OG 3.31Å; M378-A382 PolarHBondContact O-N 3.07Å; M378-I405 HydrophobicContact CE-CD1 3.97Å; M378-I405 HydrophobicContact CE-CG2 4.26Å; M378-V443 HydrophobicContact CE-CG1 4.36Å; M378-V443 HydrophobicContact CE-CG2 3.81Å; M378-V443 HydrophobicContact SD-CG1 4.06Å; M378-L446 HydrophobicContact CE-CD2 4.23Å; M378-L446 HydrophobicContact CG-CD2 3.79Å; M378-L446 HydrophobicContact SD-CD2 4.1Å |
| 379 | I | 95.1 | Very high | 94 | Very high | 11 Ų | 11 | 43.6 Ų | 43.6 | 6% | 0.056 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.6 | -48.4 | 176.7 | -69.3 | 156.6 | 0 | 0 | 0 | 111.2 | S375 S381 A382 Y383 C402 I405 E406 | S375-I379 WeakPolarHBondContact O-CD1 3.34Å; S375-I379 WeakPolarHBondContact O-CG1 3.49Å; S375-I379 PolarHBondContact O-N 3.41Å; I379-S381 PolarHBondContact O-N 3.18Å; I379-A382 PolarHBondContact O-N 2.96Å; I379-Y383 HydrophobicContact CG2-CD2 3.68Å; I379-Y383 HydrophobicContact CG2-CE2 3.48Å; I379-Y383 VanDerWaalsContact CG2-CE2 3.48Å; I379-Y383 WeakPolarHBondContact O-CD2 3.41Å; I379-Y383 PolarHBondContact O-N 2.92Å; I379-C402 HydrophobicContact CG1-CB 4.28Å; I379-C402 HydrophobicContact CG2-CB 4.04Å; I379-I405 HydrophobicContact CD1-CB 4.26Å; I379-I405 HydrophobicContact CD1-CG2 3.74Å; I379-I405 HydrophobicContact CG1-CG2 4.19Å; I379-E406 HydrophobicContact CD1-CB 4.45Å; I379-E406 HydrophobicContact CD1-CG 3.41Å; I379-E406 VanDerWaalsContact CD1-CG 3.41Å; I379-E406 HydrophobicContact CG1-CG 4.37Å; I379-E406 HydrophobicContact CG2-CG 4.39Å; I379-E406 WeakPolarHBondContact CG2-OE1 3.46Å |
| 380 | S | 93.6 | Very high | 93.4 | Very high | 47 Ų | 47 | 40 Ų | 40 | 33% | 0.329 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.5 | -46.7 | 179.1 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | V376 M378 A382 Y383 Q384 | V376-S380 VanDerWaalsContact O-CB 3.31Å; V376-S380 WeakPolarHBondContact O-CB 3.29Å; V376-S380 PolarHBondContact O-N 3.33Å; M378-S380 PolarHBondContact O-N 2.57Å; S380-A382 PolarHBondContact O-N 3.28Å; S380-Y383 PolarHBondContact O-N 3.17Å; S380-Q384 VanDerWaalsContact O-CG 3.28Å; S380-Q384 WeakPolarHBondContact O-CG 3.42Å; S380-Q384 PolarHBondContact O-N 3.32Å |
| 381 | S | 93.7 | Very high | 93 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.8 | -38.2 | 179.6 | 66.3 | 0 | 0 | 0 | 0 | 113.2 | T338 A341 F342 S377 M378 I379 Q384 L385 | T338-S381 PolarHBondContact OG1-O 3.12Å; A341-S381 WeakPolarHBondContact CB-OG 3.33Å; F342-S381 WeakPolarHBondContact CE2-OG 3.13Å; S377-S381 WeakPolarHBondContact O-CB 3.44Å; S377-S381 PolarHBondContact O-N 3.27Å; S377-S381 PolarHBondContact O-OG 3.38Å; M378-S381 PolarHBondContact O-N 3.48Å; M378-S381 PolarHBondContact O-OG 3.31Å; I379-S381 PolarHBondContact O-N 3.18Å; S381-Q384 WeakPolarHBondContact O-CB 3.39Å; S381-Q384 PolarHBondContact O-N 3.4Å; S381-L385 PolarHBondContact O-N 2.9Å; S381-L385 VanDerWaalsContact O-N 3.08Å |
| 382 | A | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.8 | -42.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F342 M378 I379 S380 Q384 L385 C386 I398 L446 V450 | F342-A382 HydrophobicContact CE2-CB 4.43Å; F342-A382 HydrophobicContact CZ-CB 4.23Å; M378-A382 PolarHBondContact O-N 3.07Å; I379-A382 PolarHBondContact O-N 2.96Å; S380-A382 PolarHBondContact O-N 3.28Å; A382-Q384 VanDerWaalsContact C-N 3.33Å; A382-Q384 PolarHBondContact O-N 3.2Å; A382-L385 WeakPolarHBondContact O-CB 3.41Å; A382-L385 PolarHBondContact O-N 3.41Å; A382-C386 PolarHBondContact O-N 3.44Å; A382-C386 VanDerWaalsContact O-N 3.12Å; A382-C386 PolarHBondContact O-SG 3.27Å; A382-C386 VanDerWaalsContact O-SG 3.37Å; A382-I398 HydrophobicContact CB-CG2 3.81Å; A382-L446 HydrophobicContact CB-CD1 3.71Å; A382-L446 HydrophobicContact CB-CG 4.45Å; A382-V450 HydrophobicContact CB-CG2 3.9Å |
| 383 | Y | 95 | Very high | 91.9 | Very high | 74 Ų | 74 | 41 Ų | 41 | 29% | 0.29 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.6 | -35.1 | 174.7 | -76.5 | -50.7 | 0 | 0 | 0 | 113 | I379 S380 L385 C386 L387 Q399 C402 | I379-Y383 HydrophobicContact CG2-CD2 3.68Å; I379-Y383 HydrophobicContact CG2-CE2 3.48Å; I379-Y383 VanDerWaalsContact CG2-CE2 3.48Å; I379-Y383 WeakPolarHBondContact O-CD2 3.41Å; I379-Y383 PolarHBondContact O-N 2.92Å; S380-Y383 PolarHBondContact O-N 3.17Å; Y383-L385 VanDerWaalsContact C-N 3.29Å; Y383-L385 PolarHBondContact O-N 2.99Å; Y383-C386 WeakPolarHBondContact O-CB 3.05Å; Y383-C386 PolarHBondContact O-N 3.43Å; Y383-L387 WeakPolarHBondContact O-CG 3.25Å; Y383-L387 PolarHBondContact O-N 3.38Å; Y383-Q399 HydrophobicContact CE1-CB 4.39Å; Y383-Q399 HydrophobicContact CE1-CG 4.44Å; Y383-C402 HydrophobicContact CE1-CB 4.44Å; Y383-C402 HydrophobicContact CE2-CB 3.9Å; Y383-C402 WeakPolarHBondContact OH-CB 3.3Å |
| 384 | Q | 94.1 | Very high | 91.7 | Very high | 6 Ų | 6 | 34.1 Ų | 34.1 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.1 | -42.1 | 173 | -72 | 172.8 | -28.4 | 0 | 0 | 111.1 | L270 S273 S274 T334 S337 S380 S381 A382 C386 L387 | L270-Q384 HydrophobicContact CD1-CB 3.66Å; L270-Q384 HydrophobicContact CD1-CG 3.5Å; L270-Q384 VanDerWaalsContact CD1-CG 3.5Å; S273-Q384 PolarHBondContact OG-NE2 3.07Å; S274-Q384 PolarHBondContact OG-NE2 3.48Å; T334-Q384 VanDerWaalsContact CG2-C 3.47Å; T334-Q384 HydrophobicContact CG2-CB 3.8Å; S337-Q384 PolarHBondContact OG-OE1 2.92Å; S380-Q384 VanDerWaalsContact O-CG 3.28Å; S380-Q384 WeakPolarHBondContact O-CG 3.42Å; S380-Q384 PolarHBondContact O-N 3.32Å; S381-Q384 WeakPolarHBondContact O-CB 3.39Å; S381-Q384 PolarHBondContact O-N 3.4Å; A382-Q384 VanDerWaalsContact C-N 3.33Å; A382-Q384 PolarHBondContact O-N 3.2Å; Q384-C386 VanDerWaalsContact C-N 3.32Å; Q384-C386 PolarHBondContact O-N 3.28Å; Q384-L387 WeakPolarHBondContact O-CB 3.48Å; Q384-L387 PolarHBondContact O-N 2.92Å; Q384-L387 VanDerWaalsContact O-N 3.12Å |
| 385 | L | 94.1 | Very high | 91.6 | Very high | 12 Ų | 12 | 31.2 Ų | 31.2 | 6% | 0.063 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.4 | -40.8 | 176.2 | -171.4 | 62.5 | 0 | 0 | 0 | 111.9 | T334 T338 S381 A382 Y383 L387 L388 S389 V450 L453 I454 | T334-L385 VanDerWaalsContact CG2-CA 3.44Å; T334-L385 HydrophobicContact CG2-CB 3.98Å; T334-L385 HydrophobicContact CG2-CD1 4.12Å; T334-L385 VanDerWaalsContact CG2-N 3.31Å; T338-L385 HydrophobicContact CG2-CD2 4.5Å; S381-L385 PolarHBondContact O-N 2.9Å; S381-L385 VanDerWaalsContact O-N 3.08Å; A382-L385 WeakPolarHBondContact O-CB 3.41Å; A382-L385 PolarHBondContact O-N 3.41Å; Y383-L385 VanDerWaalsContact C-N 3.29Å; Y383-L385 PolarHBondContact O-N 2.99Å; L385-L387 PolarHBondContact O-N 3.42Å; L385-L388 PolarHBondContact O-N 3.43Å; L385-S389 PolarHBondContact O-N 3.37Å; L385-V450 HydrophobicContact CD2-CB 4.41Å; L385-V450 HydrophobicContact CD2-CG1 4.01Å; L385-V450 HydrophobicContact CD2-CG2 4.41Å; L385-L453 HydrophobicContact CD2-CB 3.65Å; L385-L453 HydrophobicContact CD2-CD1 4.08Å; L385-L453 HydrophobicContact CD2-CG 4.49Å; L385-L453 HydrophobicContact CG-CB 4.08Å; L385-L453 HydrophobicContact CG-CD1 4.06Å; L385-I454 HydrophobicContact CD1-CG1 4.47Å; L385-I454 HydrophobicContact CD2-CG1 3.94Å |
| 386 | C | 94.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.6 | -33.8 | 174.6 | -63 | 0 | 0 | 0 | 0 | 112.9 | S226 G227 A382 Y383 Q384 L388 S389 C395 | S226-C386 CarbonylContact C-O 3.5Å; S226-C386 VanDerWaalsContact CA-O 3.3Å; S226-C386 WeakPolarHBondContact CA-O 3.25Å; G227-C386 PolarHBondContact N-O 3.39Å; A382-C386 PolarHBondContact O-N 3.44Å; A382-C386 VanDerWaalsContact O-N 3.12Å; A382-C386 PolarHBondContact O-SG 3.27Å; A382-C386 VanDerWaalsContact O-SG 3.37Å; Y383-C386 WeakPolarHBondContact O-CB 3.05Å; Y383-C386 PolarHBondContact O-N 3.43Å; Q384-C386 VanDerWaalsContact C-N 3.32Å; Q384-C386 PolarHBondContact O-N 3.28Å; C386-L388 PolarHBondContact O-N 3.49Å; C386-L388 VanDerWaalsContact O-N 3.14Å; C386-S389 PolarHBondContact O-N 2.93Å; C386-C395 HydrophobicContact CB-CB 4.36Å |
| 387 | L | 93.3 | Very high | 91.3 | Very high | 51 Ų | 51 | 30 Ų | 30 | 27% | 0.267 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.2 | -24.8 | -178.8 | -61.2 | 176.2 | 0 | 0 | 0 | 113.5 | G227 K228 L229 L230 Y383 Q384 L385 | G227-L387 CarbonylContact C-O 3.5Å; G227-L387 VanDerWaalsContact C-O 3.23Å; G227-L387 VanDerWaalsContact CA-O 3.25Å; G227-L387 WeakPolarHBondContact CA-O 3.41Å; K228-L387 HydrophobicContact CB-CD2 4.06Å; K228-L387 HydrophobicContact CD-CD2 4.49Å; K228-L387 PolarHBondContact N-O 3.35Å; L229-L387 HydrophobicContact CB-CB 3.98Å; L229-L387 WeakPolarHBondContact CB-O 3.47Å; L229-L387 PolarHBondContact N-O 2.8Å; L230-L387 PolarHBondContact N-O 3.04Å; Y383-L387 WeakPolarHBondContact O-CG 3.25Å; Y383-L387 PolarHBondContact O-N 3.38Å; Q384-L387 WeakPolarHBondContact O-CB 3.48Å; Q384-L387 PolarHBondContact O-N 2.92Å; Q384-L387 VanDerWaalsContact O-N 3.12Å; L385-L387 PolarHBondContact O-N 3.42Å |
| 388 | L | 90.7 | Very high | 91.5 | Very high | 21 Ų | 21 | 28 Ų | 28 | 11% | 0.11 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | 2.9 | -177 | -68.4 | 169.8 | 0 | 0 | 0 | 113.3 | L229 L270 L330 I331 T334 L385 C386 | L229-L388 HydrophobicContact CB-CD2 4.11Å; L229-L388 HydrophobicContact CD2-CD2 3.73Å; L229-L388 HydrophobicContact CD2-CG 4.15Å; L229-L388 HydrophobicContact CG-CD2 3.83Å; L270-L388 HydrophobicContact CD2-CD1 4.26Å; L330-L388 HydrophobicContact CB-CD1 3.89Å; L330-L388 HydrophobicContact CB-CD2 4.42Å; L330-L388 WeakPolarHBondContact O-CD1 3.44Å; I331-L388 HydrophobicContact CG1-CB 4.3Å; I331-L388 HydrophobicContact CG1-CD1 4.14Å; T334-L388 WeakPolarHBondContact OG1-CD1 3.43Å; L385-L388 PolarHBondContact O-N 3.43Å; C386-L388 PolarHBondContact O-N 3.49Å; C386-L388 VanDerWaalsContact O-N 3.14Å |
| 389 | S | 90.7 | Very high | 91.4 | Very high | 18 Ų | 18 | 30.4 Ų | 30.4 | 13% | 0.126 | 16% | 0.157 | C | C | . | . | trans | -94.2 | 154.9 | 176.6 | -176.7 | 0 | 0 | 0 | 0 | 112.2 | S226 G227 L385 C386 D391 L453 | S226-S389 PolarHBondContact OG-O 3.01Å; G227-S389 WeakPolarHBondContact CA-O 3.5Å; G227-S389 PolarHBondContact N-O 3.46Å; L385-S389 PolarHBondContact O-N 3.37Å; C386-S389 PolarHBondContact O-N 2.93Å; S389-D391 PolarHBondContact OG-N 3.41Å; S389-L453 WeakPolarHBondContact OG-CD2 3.33Å | ||
| 390 | T | 83.5 | Confident | 91.4 | Very high | 57 Ų | 57 | 30.4 Ų | 30.4 | 35% | 0.35 | 16% | 0.157 | S | C | . | . | trans | -108.4 | 1 | 167.5 | 65.9 | 0 | 0 | 0 | 0 | 113.6 | L230 E392 R726 | L230-T390 HydrophobicContact CD2-CG2 3.26Å; T390-E392 PolarHBondContact O-N 3.42Å; T390-R726 PolarHBondContact OG1-NH1 3.48Å; T390-R726 VanDerWaalsContact OG1-NH1 3.09Å | ||
| 391 | D | 84.6 | Confident | 91.6 | Very high | 58 Ų | 58 | 28.2 Ų | 28.2 | 31% | 0.31 | 14% | 0.142 | S | C | . | . | trans | -84.2 | 99.1 | -179.8 | -168.9 | -32.5 | 0 | 0 | 0 | 110 | S389 E393 C394 C395 L453 | S389-D391 PolarHBondContact OG-N 3.41Å; D391-E393 VanDerWaalsContact C-N 3.34Å; D391-E393 PolarHBondContact OD1-N 3.32Å; D391-C394 HydrophobicContact CB-CB 4.2Å; D391-C394 VanDerWaalsContact CG-CB 3.48Å; D391-C394 WeakPolarHBondContact OD1-CB 3.35Å; D391-C394 PolarHBondContact OD1-N 3.47Å; D391-C395 VanDerWaalsContact O-CB 3.23Å; D391-C395 WeakPolarHBondContact O-CB 3.42Å; D391-C395 PolarHBondContact O-N 3.48Å; D391-C395 VanDerWaalsContact O-N 3.15Å; D391-C395 PolarHBondContact O-SG 3.13Å; D391-L453 HydrophobicContact CB-CD2 3.71Å | ||
| 392 | E | 84.5 | Confident | 91.8 | Very high | 31 Ų | 31 | 28.1 Ų | 28.1 | 15% | 0.145 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.5 | -35.4 | 178.1 | -69.5 | -55.5 | 130.1 | 0 | 0 | 113.3 | R224 S226 T390 S396 | R224-E392 WeakPolarHBondContact CD-OE1 3.43Å; R224-E392 WeakPolarHBondContact CG-OE1 3.4Å; R224-E392 WeakPolarHBondContact CG-OE2 3.5Å; R224-E392 IonicContact CZ-OE1 3.65Å; R224-E392 IonicContact NE-OE1 3.45Å; R224-E392 PolarHBondContact NE-OE1 2.79Å; R224-E392 IonicContact NH2-OE1 3.28Å; R224-E392 PolarHBondContact NH2-OE1 3.39Å; S226-E392 WeakPolarHBondContact CB-OE1 3.43Å; S226-E392 PolarHBondContact OG-OE1 2.93Å; T390-E392 PolarHBondContact O-N 3.42Å; E392-S396 WeakPolarHBondContact O-CB 3.09Å; E392-S396 PolarHBondContact O-N 3.29Å; E392-S396 PolarHBondContact O-OG 3.09Å |
| 393 | E | 84.5 | Confident | 91.7 | Very high | 122 Ų | 122 | 31.7 Ų | 31.7 | 57% | 0.57 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -70.8 | -52.6 | -172.8 | -178.3 | 169.9 | -178.5 | 0 | 0 | 109.3 | D391 C395 S396 Q397 | D391-E393 VanDerWaalsContact C-N 3.34Å; D391-E393 PolarHBondContact OD1-N 3.32Å; E393-C395 VanDerWaalsContact C-N 3.33Å; E393-C395 PolarHBondContact O-N 3.32Å; E393-S396 WeakPolarHBondContact O-CB 3.4Å; E393-S396 PolarHBondContact O-N 3.01Å; E393-S396 VanDerWaalsContact O-N 3.12Å; E393-Q397 PolarHBondContact O-N 3.4Å; E393-Q397 VanDerWaalsContact O-N 3.09Å |
| 394 | C | 90 | Very high | 91.8 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.8 | -39.8 | 176.8 | -163.3 | 0 | 0 | 0 | 0 | 111.4 | D391 S396 Q397 I398 C449 L453 | D391-C394 HydrophobicContact CB-CB 4.2Å; D391-C394 VanDerWaalsContact CG-CB 3.48Å; D391-C394 WeakPolarHBondContact OD1-CB 3.35Å; D391-C394 PolarHBondContact OD1-N 3.47Å; C394-S396 VanDerWaalsContact C-N 3.33Å; C394-S396 PolarHBondContact O-N 2.93Å; C394-Q397 PolarHBondContact O-N 3.12Å; C394-I398 WeakPolarHBondContact O-CG1 3.46Å; C394-I398 PolarHBondContact O-N 2.98Å; C394-C449 VanDerWaalsContact SG-CA 3.59Å; C394-C449 VanDerWaalsContact SG-CB 3.56Å; C394-C449 PolarHBondContact SG-O 3.01Å; C394-L453 HydrophobicContact CB-CD2 3.76Å; C394-L453 HydrophobicContact CB-CG 4.22Å |
| 395 | C | 91.1 | Very high | 92 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.9 | -32 | 175.1 | -69.3 | 0 | 0 | 0 | 0 | 113.5 | S226 C386 D391 E393 Q399 | S226-C395 WeakPolarHBondContact CB-SG 3.17Å; C386-C395 HydrophobicContact CB-CB 4.36Å; D391-C395 VanDerWaalsContact O-CB 3.23Å; D391-C395 WeakPolarHBondContact O-CB 3.42Å; D391-C395 PolarHBondContact O-N 3.48Å; D391-C395 VanDerWaalsContact O-N 3.15Å; D391-C395 PolarHBondContact O-SG 3.13Å; E393-C395 VanDerWaalsContact C-N 3.33Å; E393-C395 PolarHBondContact O-N 3.32Å; C395-Q399 PolarHBondContact O-N 3.4Å |
| 396 | S | 89.2 | Confident | 92.1 | Very high | 16 Ų | 16 | 32.3 Ų | 32.3 | 11% | 0.112 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.8 | -40.8 | 174.7 | -57 | 0 | 0 | 0 | 0 | 110.8 | R158 E392 E393 C394 Q399 L400 | R158-S396 PolarHBondContact NH1-OG 3.26Å; E392-S396 WeakPolarHBondContact O-CB 3.09Å; E392-S396 PolarHBondContact O-N 3.29Å; E392-S396 PolarHBondContact O-OG 3.09Å; E393-S396 WeakPolarHBondContact O-CB 3.4Å; E393-S396 PolarHBondContact O-N 3.01Å; E393-S396 VanDerWaalsContact O-N 3.12Å; C394-S396 VanDerWaalsContact C-N 3.33Å; C394-S396 PolarHBondContact O-N 2.93Å; S396-Q399 WeakPolarHBondContact O-CB 3.44Å; S396-Q399 PolarHBondContact O-N 3.27Å; S396-L400 PolarHBondContact O-N 3.25Å |
| 397 | Q | 92.7 | Very high | 92.2 | Very high | 52 Ų | 52 | 36.1 Ų | 36.1 | 24% | 0.243 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.4 | -39.5 | 175.2 | -65.5 | -178.5 | 40.5 | 0 | 0 | 112.1 | E393 C394 Q399 L400 A401 C449 | E393-Q397 PolarHBondContact O-N 3.4Å; E393-Q397 VanDerWaalsContact O-N 3.09Å; C394-Q397 PolarHBondContact O-N 3.12Å; Q397-Q399 VanDerWaalsContact C-N 3.33Å; Q397-Q399 PolarHBondContact O-N 2.92Å; Q397-L400 WeakPolarHBondContact O-CB 3.23Å; Q397-L400 PolarHBondContact O-N 2.61Å; Q397-A401 WeakPolarHBondContact O-CB 3.49Å; Q397-A401 PolarHBondContact O-N 3.03Å; Q397-C449 VanDerWaalsContact CB-SG 3.53Å; Q397-C449 PolarHBondContact OE1-SG 3.22Å; Q397-C449 VanDerWaalsContact OE1-SG 3.42Å |
| 398 | I | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.5 | -46.1 | 171.6 | -73 | 173.2 | 0 | 0 | 0 | 110.8 | A382 C394 L400 A401 C402 L446 C449 V450 L453 | A382-I398 HydrophobicContact CB-CG2 3.81Å; C394-I398 WeakPolarHBondContact O-CG1 3.46Å; C394-I398 PolarHBondContact O-N 2.98Å; I398-L400 PolarHBondContact O-N 2.91Å; I398-A401 PolarHBondContact O-N 3.31Å; I398-C402 WeakPolarHBondContact O-CB 3.49Å; I398-C402 PolarHBondContact O-N 3.01Å; I398-C402 PolarHBondContact O-SG 2.5Å; I398-C402 VanDerWaalsContact O-SG 3.33Å; I398-L446 HydrophobicContact CB-CD1 4.24Å; I398-L446 HydrophobicContact CG1-CD1 4.2Å; I398-L446 HydrophobicContact CG2-CD1 3.79Å; I398-C449 HydrophobicContact CD1-CB 4.09Å; I398-C449 HydrophobicContact CG1-CB 3.49Å; I398-C449 VanDerWaalsContact CG1-CB 3.49Å; I398-V450 HydrophobicContact CD1-CG2 4.11Å; I398-V450 HydrophobicContact CG1-CG2 4.49Å; I398-L453 HydrophobicContact CD1-CD1 3.38Å; I398-L453 HydrophobicContact CD1-CG 4.21Å |
| 399 | Q | 94 | Very high | 92.7 | Very high | 58 Ų | 58 | 33.1 Ų | 33.1 | 27% | 0.271 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.1 | -46.8 | 178.4 | -178.5 | -175.9 | -1.6 | 0 | 0 | 111.5 | Y383 C395 S396 Q397 A401 C402 Q403 | Y383-Q399 HydrophobicContact CE1-CB 4.39Å; Y383-Q399 HydrophobicContact CE1-CG 4.44Å; C395-Q399 PolarHBondContact O-N 3.4Å; S396-Q399 WeakPolarHBondContact O-CB 3.44Å; S396-Q399 PolarHBondContact O-N 3.27Å; Q397-Q399 VanDerWaalsContact C-N 3.33Å; Q397-Q399 PolarHBondContact O-N 2.92Å; Q399-A401 PolarHBondContact O-N 3.42Å; Q399-C402 PolarHBondContact O-N 3.33Å; Q399-Q403 HydrophobicContact CG-CG 4.44Å; Q399-Q403 WeakPolarHBondContact O-CB 3.38Å; Q399-Q403 VanDerWaalsContact O-CG 3.25Å; Q399-Q403 WeakPolarHBondContact O-CG 3.42Å; Q399-Q403 PolarHBondContact O-N 3.07Å |
| 400 | L | 94.4 | Very high | 93 | Very high | 12 Ų | 12 | 35.1 Ų | 35.1 | 6% | 0.063 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.8 | -52.2 | 175.7 | 170.5 | 62.5 | 0 | 0 | 0 | 111.1 | Y165 V166 S396 Q397 I398 C402 Q403 Q404 L445 | Y165-L400 HydrophobicContact CD1-CD1 4.27Å; Y165-L400 HydrophobicContact CD1-CD2 4.04Å; Y165-L400 HydrophobicContact CD1-CG 4.25Å; Y165-L400 HydrophobicContact CG-CD2 3.93Å; V166-L400 HydrophobicContact CG2-CD1 4.31Å; S396-L400 PolarHBondContact O-N 3.25Å; Q397-L400 WeakPolarHBondContact O-CB 3.23Å; Q397-L400 PolarHBondContact O-N 2.61Å; I398-L400 PolarHBondContact O-N 2.91Å; L400-C402 PolarHBondContact O-N 3.41Å; L400-Q403 PolarHBondContact O-N 3.15Å; L400-Q404 HydrophobicContact CD1-CG 4.27Å; L400-Q404 WeakPolarHBondContact O-CG 3.49Å; L400-Q404 PolarHBondContact O-N 3.06Å; L400-L445 HydrophobicContact CD2-CD2 4.32Å |
| 401 | A | 97.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.4 | -44.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112 | Q397 I398 Q399 Q403 Q404 I405 L445 L446 | Q397-A401 WeakPolarHBondContact O-CB 3.49Å; Q397-A401 PolarHBondContact O-N 3.03Å; I398-A401 PolarHBondContact O-N 3.31Å; Q399-A401 PolarHBondContact O-N 3.42Å; A401-Q403 PolarHBondContact O-N 2.87Å; A401-Q404 PolarHBondContact O-N 2.91Å; A401-I405 WeakPolarHBondContact O-CD1 3.37Å; A401-I405 VanDerWaalsContact O-CG1 3.22Å; A401-I405 WeakPolarHBondContact O-CG1 3.25Å; A401-I405 PolarHBondContact O-N 3.22Å; A401-L445 HydrophobicContact CB-CB 4.3Å; A401-L445 HydrophobicContact CB-CD2 3.99Å; A401-L445 HydrophobicContact CB-CG 4.03Å; A401-L446 HydrophobicContact CB-CB 3.74Å; A401-L446 HydrophobicContact CB-CD1 4.21Å |
| 402 | C | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.9 | -47 | 174.6 | -76.3 | 0 | 0 | 0 | 0 | 111.9 | I379 Y383 I398 Q399 L400 Q404 I405 E406 | I379-C402 HydrophobicContact CG1-CB 4.28Å; I379-C402 HydrophobicContact CG2-CB 4.04Å; Y383-C402 HydrophobicContact CE1-CB 4.44Å; Y383-C402 HydrophobicContact CE2-CB 3.9Å; Y383-C402 WeakPolarHBondContact OH-CB 3.3Å; I398-C402 WeakPolarHBondContact O-CB 3.49Å; I398-C402 PolarHBondContact O-N 3.01Å; I398-C402 PolarHBondContact O-SG 2.5Å; I398-C402 VanDerWaalsContact O-SG 3.33Å; Q399-C402 PolarHBondContact O-N 3.33Å; L400-C402 PolarHBondContact O-N 3.41Å; C402-Q404 VanDerWaalsContact C-N 3.34Å; C402-Q404 PolarHBondContact O-N 3.3Å; C402-I405 PolarHBondContact O-N 3.09Å; C402-E406 WeakPolarHBondContact O-CG 3.08Å; C402-E406 PolarHBondContact O-N 3.45Å |
| 403 | Q | 95.6 | Very high | 94.8 | Very high | 74 Ų | 74 | 30.2 Ų | 30.2 | 35% | 0.346 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -61.4 | -41.2 | 178.4 | -75 | 176.1 | -15.6 | 0 | 0 | 112.1 | Q399 L400 A401 Q407 | Q399-Q403 HydrophobicContact CG-CG 4.44Å; Q399-Q403 WeakPolarHBondContact O-CB 3.38Å; Q399-Q403 VanDerWaalsContact O-CG 3.25Å; Q399-Q403 WeakPolarHBondContact O-CG 3.42Å; Q399-Q403 PolarHBondContact O-N 3.07Å; L400-Q403 PolarHBondContact O-N 3.15Å; A401-Q403 PolarHBondContact O-N 2.87Å; Q403-Q407 VanDerWaalsContact O-CG 3.29Å; Q403-Q407 WeakPolarHBondContact O-CG 3.43Å; Q403-Q407 PolarHBondContact O-N 3.47Å |
| 404 | Q | 96.9 | Very high | 95.4 | Very high | 8 Ų | 8 | 27.3 Ų | 27.3 | 4% | 0.037 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63 | -45.9 | 174.9 | -67.9 | -55.3 | -70.5 | 0 | 0 | 111.1 | Y165 N170 L400 A401 C402 E406 Q407 L408 | Y165-Q404 HydrophobicContact CD1-CG 4.44Å; Y165-Q404 HydrophobicContact CE1-CG 4.11Å; N170-Q404 PolarHBondContact ND2-OE1 2.92Å; L400-Q404 HydrophobicContact CD1-CG 4.27Å; L400-Q404 WeakPolarHBondContact O-CG 3.49Å; L400-Q404 PolarHBondContact O-N 3.06Å; A401-Q404 PolarHBondContact O-N 2.91Å; C402-Q404 VanDerWaalsContact C-N 3.34Å; C402-Q404 PolarHBondContact O-N 3.3Å; Q404-E406 PolarHBondContact O-N 3.48Å; Q404-Q407 PolarHBondContact O-N 3.1Å; Q404-L408 HydrophobicContact CB-CD1 4.2Å; Q404-L408 VanDerWaalsContact O-CB 3.29Å; Q404-L408 WeakPolarHBondContact O-CB 3.35Å; Q404-L408 WeakPolarHBondContact O-CD1 3.21Å; Q404-L408 WeakPolarHBondContact O-CG 3.31Å; Q404-L408 PolarHBondContact O-N 3.27Å |
| 405 | I | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.6 | -46 | 178.6 | -67.5 | 161.2 | 0 | 0 | 0 | 111.2 | M378 I379 A401 C402 Q407 L408 V409 Y439 V443 L446 | M378-I405 HydrophobicContact CE-CD1 3.97Å; M378-I405 HydrophobicContact CE-CG2 4.26Å; I379-I405 HydrophobicContact CD1-CB 4.26Å; I379-I405 HydrophobicContact CD1-CG2 3.74Å; I379-I405 HydrophobicContact CG1-CG2 4.19Å; A401-I405 WeakPolarHBondContact O-CD1 3.37Å; A401-I405 VanDerWaalsContact O-CG1 3.22Å; A401-I405 WeakPolarHBondContact O-CG1 3.25Å; A401-I405 PolarHBondContact O-N 3.22Å; C402-I405 PolarHBondContact O-N 3.09Å; I405-Q407 PolarHBondContact O-N 3.13Å; I405-L408 PolarHBondContact O-N 3.03Å; I405-V409 HydrophobicContact CG2-CG2 3.97Å; I405-V409 WeakPolarHBondContact O-CB 3.42Å; I405-V409 WeakPolarHBondContact O-CG2 3.23Å; I405-V409 PolarHBondContact O-N 3.43Å; I405-Y439 HydrophobicContact CG2-CE2 3.97Å; I405-V443 HydrophobicContact CD1-CG2 3.88Å; I405-V443 HydrophobicContact CG1-CG2 4.14Å; I405-L446 HydrophobicContact CD1-CB 4.19Å; I405-L446 HydrophobicContact CD1-CD2 3.61Å |
| 406 | E | 96.9 | Very high | 96 | Very high | 98 Ų | 98 | 27.3 Ų | 27.3 | 46% | 0.458 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -56 | -39.5 | 177.8 | -76.1 | 177.2 | 158.6 | 0 | 0 | 112.3 | I379 C402 Q404 P410 | I379-E406 HydrophobicContact CD1-CB 4.45Å; I379-E406 HydrophobicContact CD1-CG 3.41Å; I379-E406 VanDerWaalsContact CD1-CG 3.41Å; I379-E406 HydrophobicContact CG1-CG 4.37Å; I379-E406 HydrophobicContact CG2-CG 4.39Å; I379-E406 WeakPolarHBondContact CG2-OE1 3.46Å; C402-E406 WeakPolarHBondContact O-CG 3.08Å; C402-E406 PolarHBondContact O-N 3.45Å; Q404-E406 PolarHBondContact O-N 3.48Å; E406-P410 WeakPolarHBondContact O-CD 3.05Å |
| 407 | Q | 95.3 | Very high | 96.3 | Very high | 81 Ų | 81 | 30.1 Ų | 30.1 | 38% | 0.379 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -81.6 | -35.5 | -178.8 | -68.6 | 178.6 | 17.7 | 0 | 0 | 113.3 | F196 Q403 Q404 I405 | F196-Q407 HydrophobicContact CE2-CB 3.77Å; F196-Q407 HydrophobicContact CE2-CG 4.34Å; F196-Q407 HydrophobicContact CZ-CB 3.76Å; Q403-Q407 VanDerWaalsContact O-CG 3.29Å; Q403-Q407 WeakPolarHBondContact O-CG 3.43Å; Q403-Q407 PolarHBondContact O-N 3.47Å; Q404-Q407 PolarHBondContact O-N 3.1Å; I405-Q407 PolarHBondContact O-N 3.13Å |
| 408 | L | 97.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -76.9 | -35.4 | -177.4 | -71.2 | 163.9 | 0 | 0 | 0 | 112.8 | L173 Q404 I405 Q411 L412 F435 V438 | L173-L408 HydrophobicContact CD1-CD2 4.01Å; Q404-L408 HydrophobicContact CB-CD1 4.2Å; Q404-L408 VanDerWaalsContact O-CB 3.29Å; Q404-L408 WeakPolarHBondContact O-CB 3.35Å; Q404-L408 WeakPolarHBondContact O-CD1 3.21Å; Q404-L408 WeakPolarHBondContact O-CG 3.31Å; Q404-L408 PolarHBondContact O-N 3.27Å; I405-L408 PolarHBondContact O-N 3.03Å; L408-Q411 WeakPolarHBondContact O-CB 3.42Å; L408-Q411 PolarHBondContact O-N 2.87Å; L408-Q411 VanDerWaalsContact O-N 3.1Å; L408-L412 WeakPolarHBondContact O-CB 3.24Å; L408-L412 PolarHBondContact O-N 3.19Å; L408-F435 HydrophobicContact CD2-CD1 4.07Å; L408-F435 HydrophobicContact CD2-CE1 4.34Å; L408-V438 HydrophobicContact CD1-CG1 3.75Å; L408-V438 HydrophobicContact CD2-CG1 4.13Å |
| 409 | V | 97.6 | Very high | 96.4 | Very high | 9 Ų | 9 | 28.4 Ų | 28.4 | 6% | 0.055 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.2 | -49.3 | -175.1 | 163.7 | 0 | 0 | 0 | 0 | 112.6 | F371 Q372 S375 I405 Q411 L412 I413 Y439 | F371-V409 HydrophobicContact CD1-CG1 4.14Å; F371-V409 HydrophobicContact CE1-CB 4.22Å; F371-V409 HydrophobicContact CE1-CG1 3.94Å; F371-V409 HydrophobicContact CE1-CG2 3.85Å; F371-V409 HydrophobicContact CZ-CG2 4.19Å; Q372-V409 HydrophobicContact CG-CG1 4.45Å; S375-V409 WeakPolarHBondContact OG-CG2 3.4Å; I405-V409 HydrophobicContact CG2-CG2 3.97Å; I405-V409 WeakPolarHBondContact O-CB 3.42Å; I405-V409 WeakPolarHBondContact O-CG2 3.23Å; I405-V409 PolarHBondContact O-N 3.43Å; V409-Q411 VanDerWaalsContact C-N 3.31Å; V409-Q411 PolarHBondContact O-N 3.44Å; V409-L412 PolarHBondContact O-N 3.18Å; V409-I413 HydrophobicContact CG1-CD1 3.9Å; V409-I413 VanDerWaalsContact O-CG1 3.32Å; V409-I413 WeakPolarHBondContact O-CG1 3.36Å; V409-I413 PolarHBondContact O-N 2.68Å; V409-Y439 HydrophobicContact CG2-CD2 4.18Å; V409-Y439 HydrophobicContact CG2-CE2 3.68Å |
| 410 | P | 96.6 | Very high | 96.4 | Very high | 59 Ų | 59 | 28 Ų | 28 | 38% | 0.383 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -60.7 | -38.6 | 176.2 | -23.9 | 34.2 | 0 | 0 | 0 | 113.3 | E406 N414 | E406-P410 WeakPolarHBondContact O-CD 3.05Å; P410-N414 PolarHBondContact O-N 3.21Å; P410-N414 VanDerWaalsContact O-N 3.13Å; P410-N414 PolarHBondContact O-ND2 3.04Å |
| 411 | Q | 96.3 | Very high | 96.3 | Very high | 25 Ų | 25 | 33.6 Ų | 33.6 | 12% | 0.117 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.6 | -46.8 | 178.8 | -58.2 | -59.8 | -44.7 | 0 | 0 | 110.9 | S193 F196 L408 V409 I413 N414 I415 F435 | S193-Q411 VanDerWaalsContact CA-OE1 3.31Å; S193-Q411 PolarHBondContact OG-OE1 3.01Å; F196-Q411 HydrophobicContact CD1-CG 3.68Å; F196-Q411 HydrophobicContact CE1-CG 3.91Å; F196-Q411 HydrophobicContact CG-CG 4.09Å; F196-Q411 HydrophobicContact CZ-CG 4.49Å; L408-Q411 WeakPolarHBondContact O-CB 3.42Å; L408-Q411 PolarHBondContact O-N 2.87Å; L408-Q411 VanDerWaalsContact O-N 3.1Å; V409-Q411 VanDerWaalsContact C-N 3.31Å; V409-Q411 PolarHBondContact O-N 3.44Å; Q411-I413 VanDerWaalsContact C-N 3.32Å; Q411-I413 PolarHBondContact O-N 3.37Å; Q411-N414 PolarHBondContact O-N 2.99Å; Q411-I415 WeakPolarHBondContact O-CD1 3.46Å; Q411-I415 VanDerWaalsContact O-CG1 3.23Å; Q411-I415 WeakPolarHBondContact O-CG1 3.47Å; Q411-I415 PolarHBondContact O-N 2.85Å; Q411-F435 HydrophobicContact CB-CD1 3.92Å; Q411-F435 HydrophobicContact CB-CE1 3.6Å; Q411-F435 HydrophobicContact CG-CE1 4.16Å |
| 412 | L | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.5 | -37.8 | 180 | -172.9 | 61.8 | 0 | 0 | 0 | 111.8 | L349 L352 F371 L408 V409 I415 A416 Y432 F435 R436 Y439 | L349-L412 HydrophobicContact CD1-CD2 4.18Å; L352-L412 HydrophobicContact CD2-CD2 4.41Å; L352-L412 HydrophobicContact CD2-CG 4.34Å; F371-L412 HydrophobicContact CE1-CD2 4.01Å; F371-L412 HydrophobicContact CZ-CD2 3.67Å; L408-L412 WeakPolarHBondContact O-CB 3.24Å; L408-L412 PolarHBondContact O-N 3.19Å; V409-L412 PolarHBondContact O-N 3.18Å; L412-I415 PolarHBondContact O-N 3.24Å; L412-A416 VanDerWaalsContact O-CB 3.26Å; L412-A416 WeakPolarHBondContact O-CB 3.4Å; L412-A416 PolarHBondContact O-N 3.37Å; L412-Y432 HydrophobicContact CD1-CD2 3.82Å; L412-Y432 HydrophobicContact CD1-CE2 3.55Å; L412-Y432 HydrophobicContact CG-CE2 4.27Å; L412-F435 HydrophobicContact CD1-CB 3.94Å; L412-R436 HydrophobicContact CD1-CB 4.31Å; L412-Y439 HydrophobicContact CD2-CD1 4.48Å; L412-Y439 HydrophobicContact CD2-CG 4.17Å |
| 413 | I | 97.4 | Very high | 95.8 | Very high | 19 Ų | 19 | 41 Ų | 41 | 10% | 0.097 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.9 | -49.2 | 173.1 | -72.1 | 168.8 | 0 | 0 | 0 | 110.8 | C368 F371 Q372 V409 Q411 I415 A416 Y417 | C368-I413 HydrophobicContact CB-CG1 4.39Å; C368-I413 HydrophobicContact CB-CG2 4.12Å; F371-I413 HydrophobicContact CD1-CD1 4.28Å; F371-I413 HydrophobicContact CD1-CG1 4.04Å; Q372-I413 HydrophobicContact CB-CD1 4.07Å; V409-I413 HydrophobicContact CG1-CD1 3.9Å; V409-I413 VanDerWaalsContact O-CG1 3.32Å; V409-I413 WeakPolarHBondContact O-CG1 3.36Å; V409-I413 PolarHBondContact O-N 2.68Å; Q411-I413 VanDerWaalsContact C-N 3.32Å; Q411-I413 PolarHBondContact O-N 3.37Å; I413-I415 VanDerWaalsContact C-N 3.33Å; I413-I415 PolarHBondContact O-N 3.27Å; I413-A416 WeakPolarHBondContact O-CB 3.5Å; I413-A416 PolarHBondContact O-N 3.47Å; I413-Y417 HydrophobicContact CG2-CD2 3.98Å; I413-Y417 HydrophobicContact CG2-CE2 3.65Å; I413-Y417 VanDerWaalsContact O-CD2 3.22Å; I413-Y417 WeakPolarHBondContact O-CD2 3.41Å; I413-Y417 PolarHBondContact O-N 2.95Å; I413-Y417 VanDerWaalsContact O-N 3.08Å |
| 414 | N | 96.1 | Very high | 95.7 | Very high | 61 Ų | 61 | 43 Ų | 43 | 33% | 0.326 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.5 | -41 | 179.7 | -73 | -21 | 0 | 0 | 0 | 112.1 | I189 P410 Q411 Y417 L418 | I189-N414 HydrophobicContact CD1-CB 4.1Å; I189-N414 WeakPolarHBondContact CD1-O 3.38Å; I189-N414 HydrophobicContact CG1-CB 4.3Å; I189-N414 HydrophobicContact CG2-CB 3.77Å; P410-N414 PolarHBondContact O-N 3.21Å; P410-N414 VanDerWaalsContact O-N 3.13Å; P410-N414 PolarHBondContact O-ND2 3.04Å; Q411-N414 PolarHBondContact O-N 2.99Å; N414-Y417 PolarHBondContact O-N 2.81Å; N414-L418 PolarHBondContact O-N 2.88Å; N414-L418 VanDerWaalsContact O-N 3.08Å |
| 415 | I | 96.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.6 | -33.6 | 177.4 | -60.5 | 162.8 | 0 | 0 | 0 | 110.8 | I189 Q411 L412 I413 L418 L419 Y432 F435 | I189-I415 HydrophobicContact CG2-CG1 4.44Å; Q411-I415 WeakPolarHBondContact O-CD1 3.46Å; Q411-I415 VanDerWaalsContact O-CG1 3.23Å; Q411-I415 WeakPolarHBondContact O-CG1 3.47Å; Q411-I415 PolarHBondContact O-N 2.85Å; L412-I415 PolarHBondContact O-N 3.24Å; I413-I415 VanDerWaalsContact C-N 3.33Å; I413-I415 PolarHBondContact O-N 3.27Å; I415-L418 WeakPolarHBondContact O-CB 3.41Å; I415-L418 PolarHBondContact O-N 3.46Å; I415-L418 VanDerWaalsContact O-N 3.17Å; I415-L419 PolarHBondContact O-N 2.86Å; I415-Y432 HydrophobicContact CG2-CD2 4.04Å; I415-Y432 HydrophobicContact CG2-CG 4.44Å; I415-F435 HydrophobicContact CD1-CB 4.16Å; I415-F435 HydrophobicContact CD1-CD1 3.85Å; I415-F435 HydrophobicContact CD1-CD2 3.36Å; I415-F435 HydrophobicContact CD1-CE1 4.04Å; I415-F435 HydrophobicContact CD1-CE2 3.59Å; I415-F435 HydrophobicContact CD1-CG 3.5Å; I415-F435 HydrophobicContact CD1-CZ 3.91Å |
| 416 | A | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.7 | -45.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L352 T356 L412 I413 L418 L419 F420 Y432 | L352-A416 HydrophobicContact CD1-CB 3.95Å; L352-A416 HydrophobicContact CD2-CB 4.42Å; L352-A416 HydrophobicContact CG-CB 4.3Å; T356-A416 HydrophobicContact CG2-CB 3.83Å; L412-A416 VanDerWaalsContact O-CB 3.26Å; L412-A416 WeakPolarHBondContact O-CB 3.4Å; L412-A416 PolarHBondContact O-N 3.37Å; I413-A416 WeakPolarHBondContact O-CB 3.5Å; I413-A416 PolarHBondContact O-N 3.47Å; A416-L418 VanDerWaalsContact C-N 3.29Å; A416-L418 PolarHBondContact O-N 3.35Å; A416-L419 PolarHBondContact O-N 2.93Å; A416-F420 WeakPolarHBondContact O-CB 3.03Å; A416-F420 PolarHBondContact O-N 2.83Å; A416-Y432 HydrophobicContact CB-CD2 4.37Å; A416-Y432 HydrophobicContact CB-CE2 3.79Å |
| 417 | Y | 95.4 | Very high | 95.5 | Very high | 75 Ų | 75 | 45.8 Ų | 45.8 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.1 | -37.7 | 173.1 | -77.8 | -67.7 | 0 | 0 | 0 | 112.3 | I364 D365 C368 I413 N414 F420 K421 | I364-Y417 HydrophobicContact CB-CE1 4.45Å; I364-Y417 HydrophobicContact CG1-CD1 4.01Å; I364-Y417 HydrophobicContact CG1-CE1 3.84Å; I364-Y417 HydrophobicContact CG2-CD1 4.33Å; I364-Y417 HydrophobicContact CG2-CE1 3.87Å; D365-Y417 PolarHBondContact OD1-OH 3.43Å; C368-Y417 HydrophobicContact CB-CE2 4.4Å; I413-Y417 HydrophobicContact CG2-CD2 3.98Å; I413-Y417 HydrophobicContact CG2-CE2 3.65Å; I413-Y417 VanDerWaalsContact O-CD2 3.22Å; I413-Y417 WeakPolarHBondContact O-CD2 3.41Å; I413-Y417 PolarHBondContact O-N 2.95Å; I413-Y417 VanDerWaalsContact O-N 3.08Å; N414-Y417 PolarHBondContact O-N 2.81Å; Y417-F420 PolarHBondContact O-N 3.47Å; Y417-K421 WeakPolarHBondContact O-CB 3.4Å; Y417-K421 PolarHBondContact O-N 3.43Å |
| 418 | L | 94.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.4 | -42.6 | 176.6 | -171.3 | 66.5 | 0 | 0 | 0 | 111.4 | V180 P190 N414 I415 A416 K421 Y422 V428 | V180-L418 HydrophobicContact CG1-CD2 3.88Å; P190-L418 HydrophobicContact CG-CD2 3.92Å; N414-L418 PolarHBondContact O-N 2.88Å; N414-L418 VanDerWaalsContact O-N 3.08Å; I415-L418 WeakPolarHBondContact O-CB 3.41Å; I415-L418 PolarHBondContact O-N 3.46Å; I415-L418 VanDerWaalsContact O-N 3.17Å; A416-L418 VanDerWaalsContact C-N 3.29Å; A416-L418 PolarHBondContact O-N 3.35Å; L418-K421 PolarHBondContact O-N 2.86Å; L418-Y422 HydrophobicContact CD1-CD2 3.57Å; L418-Y422 HydrophobicContact CD1-CE2 3.55Å; L418-Y422 HydrophobicContact CG-CD2 4.17Å; L418-Y422 WeakPolarHBondContact O-CD2 3.45Å; L418-Y422 PolarHBondContact O-N 3.34Å; L418-V428 HydrophobicContact CB-CG1 4.18Å; L418-V428 HydrophobicContact CD2-CG1 4.04Å; L418-V428 HydrophobicContact CD2-CG2 4.11Å; L418-V428 HydrophobicContact CG-CG1 3.83Å; L418-V428 HydrophobicContact CG-CG2 4.17Å |
| 419 | L | 95.8 | Very high | 95.6 | Very high | 13 Ų | 13 | 46.7 Ų | 46.7 | 7% | 0.068 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.3 | -43.9 | 176.3 | -178.1 | 59.1 | 0 | 0 | 0 | 111.3 | T356 I415 A416 K421 Y422 P423 V428 E429 Y432 | T356-L419 HydrophobicContact CG2-CD2 4.44Å; I415-L419 PolarHBondContact O-N 2.86Å; A416-L419 PolarHBondContact O-N 2.93Å; L419-K421 VanDerWaalsContact C-N 3.25Å; L419-K421 PolarHBondContact O-N 3.19Å; L419-Y422 CarbonylContact O-C 3.18Å; L419-Y422 PolarHBondContact O-N 3.02Å; L419-P423 VanDerWaalsContact O-CA 3.26Å; L419-P423 WeakPolarHBondContact O-CA 3.43Å; L419-V428 HydrophobicContact CB-CG1 3.9Å; L419-V428 HydrophobicContact CD1-CG1 4.11Å; L419-E429 HydrophobicContact CD1-CB 4.03Å; L419-Y432 HydrophobicContact CD2-CD1 3.68Å; L419-Y432 HydrophobicContact CD2-CD2 4.31Å; L419-Y432 HydrophobicContact CD2-CE1 4.29Å; L419-Y432 HydrophobicContact CD2-CG 3.69Å |
| 420 | F | 95 | Very high | 95.5 | Very high | 49 Ų | 49 | 48.8 Ų | 48.8 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.4 | -39.1 | 174.5 | 175.9 | -103.7 | 0 | 0 | 0 | 112.1 | G359 D361 I364 A416 Y417 | G359-F420 WeakPolarHBondContact O-CE2 3.34Å; D361-F420 VanDerWaalsContact OD1-CE1 3.25Å; D361-F420 WeakPolarHBondContact OD1-CE1 3.44Å; I364-F420 HydrophobicContact CG2-CD1 4.23Å; I364-F420 HydrophobicContact CG2-CE1 4.21Å; I364-F420 HydrophobicContact CG2-CG 4.44Å; I364-F420 HydrophobicContact CG2-CZ 4.4Å; A416-F420 WeakPolarHBondContact O-CB 3.03Å; A416-F420 PolarHBondContact O-N 2.83Å; Y417-F420 PolarHBondContact O-N 3.47Å |
| 421 | K | 92.6 | Very high | 95.5 | Very high | 130 Ų | 130 | 46 Ų | 46 | 57% | 0.565 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -75.2 | -32.1 | 177.1 | -173.3 | 173 | 179.9 | 176 | 0 | 113.6 | Y417 L418 L419 P423 | Y417-K421 WeakPolarHBondContact O-CB 3.4Å; Y417-K421 PolarHBondContact O-N 3.43Å; L418-K421 PolarHBondContact O-N 2.86Å; L419-K421 VanDerWaalsContact C-N 3.25Å; L419-K421 PolarHBondContact O-N 3.19Å; K421-P423 VanDerWaalsContact C-CD 3.43Å |
| 422 | Y | 93.2 | Very high | 95.6 | Very high | 70 Ų | 70 | 45.2 Ų | 45.2 | 28% | 0.275 | 24% | 0.235 | S | C | . | . | trans | -126.8 | 62.9 | -177.9 | -55.8 | -68.9 | 0 | 0 | 0 | 112.1 | Y184 L418 L419 S424 S425 | Y184-Y422 HydrophobicContact CE1-CD1 4.15Å; Y184-Y422 HydrophobicContact CE1-CD2 4.38Å; Y184-Y422 HydrophobicContact CE1-CE1 4.16Å; Y184-Y422 HydrophobicContact CE1-CE2 4.37Å; Y184-Y422 HydrophobicContact CE1-CG 4.26Å; L418-Y422 HydrophobicContact CD1-CD2 3.57Å; L418-Y422 HydrophobicContact CD1-CE2 3.55Å; L418-Y422 HydrophobicContact CG-CD2 4.17Å; L418-Y422 WeakPolarHBondContact O-CD2 3.45Å; L418-Y422 PolarHBondContact O-N 3.34Å; L419-Y422 CarbonylContact O-C 3.18Å; L419-Y422 PolarHBondContact O-N 3.02Å; Y422-S424 VanDerWaalsContact C-N 3.26Å; Y422-S424 PolarHBondContact O-N 3Å; Y422-S425 VanDerWaalsContact O-CB 3.26Å; Y422-S425 WeakPolarHBondContact O-CB 3.22Å; Y422-S425 PolarHBondContact O-N 3.49Å | ||
| 423 | P | 91.6 | Very high | 95.6 | Very high | 84 Ų | 84 | 49.4 Ų | 49.4 | 55% | 0.545 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -25.5 | -169.7 | 25.4 | -35.3 | 0 | 0 | 0 | 113.7 | L419 K421 S425 | L419-P423 VanDerWaalsContact O-CA 3.26Å; L419-P423 WeakPolarHBondContact O-CA 3.43Å; K421-P423 VanDerWaalsContact C-CD 3.43Å; P423-S425 VanDerWaalsContact C-N 3.29Å; P423-S425 PolarHBondContact O-N 3.4Å |
| 424 | S | 92.8 | Very high | 95.7 | Very high | 118 Ų | 118 | 49.4 Ų | 49.4 | 83% | 0.825 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 1.1 | 177.5 | -46.8 | 0 | 0 | 0 | 0 | 113.8 | Y422 K426 | Y422-S424 VanDerWaalsContact C-N 3.26Å; Y422-S424 PolarHBondContact O-N 3Å; S424-K426 PolarHBondContact O-N 3.26Å |
| 425 | S | 95.9 | Very high | 95.7 | Very high | 11 Ų | 11 | 46.5 Ų | 46.5 | 8% | 0.077 | 24% | 0.242 | C | C | . | . | trans | -88.5 | 100.2 | -175 | -168.3 | 0 | 0 | 0 | 0 | 111.7 | Y184 Y422 P423 S427 V428 E429 | Y184-S425 WeakPolarHBondContact CE2-OG 3.26Å; Y184-S425 VanDerWaalsContact OH-CB 3.22Å; Y184-S425 WeakPolarHBondContact OH-CB 3.03Å; Y184-S425 PolarHBondContact OH-OG 2.96Å; Y422-S425 VanDerWaalsContact O-CB 3.26Å; Y422-S425 WeakPolarHBondContact O-CB 3.22Å; Y422-S425 PolarHBondContact O-N 3.49Å; P423-S425 VanDerWaalsContact C-N 3.29Å; P423-S425 PolarHBondContact O-N 3.4Å; S425-S427 PolarHBondContact O-N 2.92Å; S425-S427 VanDerWaalsContact O-N 3.12Å; S425-V428 PolarHBondContact O-N 3.13Å; S425-E429 PolarHBondContact O-N 3.27Å | ||
| 426 | K | 96 | Very high | 95.8 | Very high | 119 Ų | 119 | 49.2 Ų | 49.2 | 52% | 0.517 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -53.6 | -33.3 | 175.6 | -67.5 | -178 | 175.1 | 171.3 | 0 | 113.6 | S424 S430 E917 | S424-K426 PolarHBondContact O-N 3.26Å; K426-S430 WeakPolarHBondContact O-CB 3.43Å; K426-S430 PolarHBondContact O-N 3.43Å; K426-E917 IonicContact NZ-OE1 3.4Å; K426-E917 PolarHBondContact NZ-OE1 2.96Å; K426-E917 IonicContact NZ-OE2 2.93Å; K426-E917 PolarHBondContact NZ-OE2 3.1Å |
| 427 | S | 94.8 | Very high | 95.8 | Very high | 34 Ų | 34 | 56 Ų | 56 | 24% | 0.238 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 177.1 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | V180 S425 N431 | V180-S427 VanDerWaalsContact CG2-O 3.25Å; V180-S427 WeakPolarHBondContact CG2-O 3.46Å; S425-S427 PolarHBondContact O-N 2.92Å; S425-S427 VanDerWaalsContact O-N 3.12Å; S427-N431 WeakPolarHBondContact O-CB 3.4Å; S427-N431 PolarHBondContact O-N 3.02Å; S427-N431 VanDerWaalsContact O-N 3.15Å |
| 428 | V | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.7 | -43.2 | 178.7 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | V180 Y184 L418 L419 S425 S430 N431 Y432 | V180-V428 HydrophobicContact CG1-CG2 4.05Å; Y184-V428 HydrophobicContact CD2-CG2 4.27Å; Y184-V428 HydrophobicContact CE2-CG2 3.68Å; L418-V428 HydrophobicContact CB-CG1 4.18Å; L418-V428 HydrophobicContact CD2-CG1 4.04Å; L418-V428 HydrophobicContact CD2-CG2 4.11Å; L418-V428 HydrophobicContact CG-CG1 3.83Å; L418-V428 HydrophobicContact CG-CG2 4.17Å; L419-V428 HydrophobicContact CB-CG1 3.9Å; L419-V428 HydrophobicContact CD1-CG1 4.11Å; S425-V428 PolarHBondContact O-N 3.13Å; V428-S430 PolarHBondContact O-N 3.08Å; V428-N431 PolarHBondContact O-N 3.44Å; V428-Y432 WeakPolarHBondContact O-CB 3.49Å; V428-Y432 PolarHBondContact O-N 3.47Å |
| 429 | E | 97.2 | Very high | 96.1 | Very high | 101 Ų | 101 | 53.6 Ų | 53.6 | 47% | 0.472 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.4 | -48.1 | 175.6 | -177 | 178 | -152.1 | 0 | 0 | 111.6 | L419 S425 N431 Y432 E433 | L419-E429 HydrophobicContact CD1-CB 4.03Å; S425-E429 PolarHBondContact O-N 3.27Å; E429-N431 VanDerWaalsContact C-N 3.27Å; E429-N431 PolarHBondContact O-N 3.13Å; E429-Y432 PolarHBondContact O-N 3.11Å; E429-E433 WeakPolarHBondContact O-CB 3.33Å; E429-E433 PolarHBondContact O-N 2.83Å |
| 430 | S | 96.8 | Very high | 96.1 | Very high | 53 Ų | 53 | 55.6 Ų | 55.6 | 37% | 0.371 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.3 | -35 | 176.3 | 176.1 | 0 | 0 | 0 | 0 | 112.8 | K426 V428 A434 | K426-S430 WeakPolarHBondContact O-CB 3.43Å; K426-S430 PolarHBondContact O-N 3.43Å; V428-S430 PolarHBondContact O-N 3.08Å; S430-A434 WeakPolarHBondContact O-CB 3.48Å; S430-A434 PolarHBondContact O-N 3.34Å; S430-A434 VanDerWaalsContact O-N 3.12Å |
| 431 | N | 96.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.3 | -43.5 | 176.2 | -179.6 | -130.9 | 0 | 0 | 0 | 112.1 | T176 S177 V180 S427 V428 E429 E433 A434 F435 | T176-N431 PolarHBondContact OG1-ND2 2.9Å; S177-N431 PolarHBondContact N-ND2 3.17Å; S177-N431 PolarHBondContact OG-ND2 2.97Å; V180-N431 HydrophobicContact CG2-CB 3.51Å; S427-N431 WeakPolarHBondContact O-CB 3.4Å; S427-N431 PolarHBondContact O-N 3.02Å; S427-N431 VanDerWaalsContact O-N 3.15Å; V428-N431 PolarHBondContact O-N 3.44Å; E429-N431 VanDerWaalsContact C-N 3.27Å; E429-N431 PolarHBondContact O-N 3.13Å; N431-E433 VanDerWaalsContact C-N 3.35Å; N431-E433 PolarHBondContact O-N 3.25Å; N431-A434 PolarHBondContact O-N 3.42Å; N431-F435 WeakPolarHBondContact ND2-CE2 3.47Å; N431-F435 WeakPolarHBondContact O-CD2 3.23Å; N431-F435 PolarHBondContact O-N 3.47Å; N431-F435 VanDerWaalsContact O-N 3.07Å |
| 432 | Y | 97.9 | Very high | 96.4 | Very high | 8 Ų | 8 | 51.5 Ų | 51.5 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.1 | -48.4 | 173.2 | -179.5 | -99.6 | 0 | 0 | 0 | 111.5 | N353 L412 I415 A416 L419 V428 E429 A434 F435 R436 | N353-Y432 VanDerWaalsContact OD1-CE1 3.23Å; N353-Y432 WeakPolarHBondContact OD1-CE1 3.2Å; N353-Y432 PolarHBondContact OD1-OH 2.97Å; L412-Y432 HydrophobicContact CD1-CD2 3.82Å; L412-Y432 HydrophobicContact CD1-CE2 3.55Å; L412-Y432 HydrophobicContact CG-CE2 4.27Å; I415-Y432 HydrophobicContact CG2-CD2 4.04Å; I415-Y432 HydrophobicContact CG2-CG 4.44Å; A416-Y432 HydrophobicContact CB-CD2 4.37Å; A416-Y432 HydrophobicContact CB-CE2 3.79Å; L419-Y432 HydrophobicContact CD2-CD1 3.68Å; L419-Y432 HydrophobicContact CD2-CD2 4.31Å; L419-Y432 HydrophobicContact CD2-CE1 4.29Å; L419-Y432 HydrophobicContact CD2-CG 3.69Å; V428-Y432 WeakPolarHBondContact O-CB 3.49Å; V428-Y432 PolarHBondContact O-N 3.47Å; E429-Y432 PolarHBondContact O-N 3.11Å; Y432-A434 VanDerWaalsContact C-N 3.33Å; Y432-A434 PolarHBondContact O-N 2.91Å; Y432-F435 PolarHBondContact O-N 2.89Å; Y432-R436 VanDerWaalsContact O-CB 3.25Å; Y432-R436 WeakPolarHBondContact O-CB 3.48Å; Y432-R436 PolarHBondContact O-N 3.07Å |
| 433 | E | 97.7 | Very high | 96.6 | Very high | 87 Ų | 87 | 48.5 Ų | 48.5 | 41% | 0.407 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | -179.9 | -172.4 | 59.7 | -160 | 0 | 0 | 112 | E429 N431 R436 K437 | E429-E433 WeakPolarHBondContact O-CB 3.33Å; E429-E433 PolarHBondContact O-N 2.83Å; N431-E433 VanDerWaalsContact C-N 3.35Å; N431-E433 PolarHBondContact O-N 3.25Å; E433-R436 PolarHBondContact O-N 3.04Å; E433-R436 IonicContact OE1-NH1 3.75Å; E433-R436 IonicContact OE2-NH1 4Å; E433-R436 PolarHBondContact OE2-NH1 3.36Å; E433-K437 WeakPolarHBondContact O-CB 3.23Å; E433-K437 PolarHBondContact O-N 2.97Å |
| 434 | A | 98.1 | Very high | 96.8 | Very high | 19 Ų | 19 | 47.8 Ų | 47.8 | 16% | 0.157 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63 | -47.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L173 T176 S430 N431 Y432 K437 V438 | L173-A434 HydrophobicContact CD2-CB 3.85Å; L173-A434 WeakPolarHBondContact CD2-O 3.25Å; T176-A434 HydrophobicContact CG2-CB 3.92Å; S430-A434 WeakPolarHBondContact O-CB 3.48Å; S430-A434 PolarHBondContact O-N 3.34Å; S430-A434 VanDerWaalsContact O-N 3.12Å; N431-A434 PolarHBondContact O-N 3.42Å; Y432-A434 VanDerWaalsContact C-N 3.33Å; Y432-A434 PolarHBondContact O-N 2.91Å; A434-K437 PolarHBondContact O-N 3.19Å; A434-V438 WeakPolarHBondContact O-CG2 3.41Å; A434-V438 PolarHBondContact O-N 2.99Å |
| 435 | F | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.1 | -40.1 | 177.1 | -89 | -97.7 | 0 | 0 | 0 | 112.2 | L173 F196 V197 L408 Q411 L412 I415 N431 Y432 V438 Y439 | L173-F435 HydrophobicContact CB-CD2 4.38Å; L173-F435 HydrophobicContact CB-CE2 3.82Å; L173-F435 HydrophobicContact CB-CZ 3.98Å; L173-F435 HydrophobicContact CD1-CD1 4.09Å; L173-F435 HydrophobicContact CD1-CE1 3.92Å; L173-F435 HydrophobicContact CD1-CE2 4.39Å; L173-F435 HydrophobicContact CD1-CG 4.41Å; L173-F435 HydrophobicContact CD1-CZ 4.09Å; L173-F435 HydrophobicContact CD2-CB 4.39Å; L173-F435 HydrophobicContact CD2-CD1 4.44Å; L173-F435 HydrophobicContact CD2-CD2 3.71Å; L173-F435 HydrophobicContact CD2-CE2 4.03Å; L173-F435 HydrophobicContact CD2-CG 3.94Å; L173-F435 HydrophobicContact CG-CD2 4.43Å; L173-F435 HydrophobicContact CG-CE2 4.3Å; L173-F435 HydrophobicContact CG-CZ 4.44Å; F196-F435 HydrophobicContact CE1-CE1 4.45Å; V197-F435 HydrophobicContact CG2-CE1 4.45Å; V197-F435 HydrophobicContact CG2-CZ 3.77Å; L408-F435 HydrophobicContact CD2-CD1 4.07Å; L408-F435 HydrophobicContact CD2-CE1 4.34Å; Q411-F435 HydrophobicContact CB-CD1 3.92Å; Q411-F435 HydrophobicContact CB-CE1 3.6Å; Q411-F435 HydrophobicContact CG-CE1 4.16Å; L412-F435 HydrophobicContact CD1-CB 3.94Å; I415-F435 HydrophobicContact CD1-CB 4.16Å; I415-F435 HydrophobicContact CD1-CD1 3.85Å; I415-F435 HydrophobicContact CD1-CD2 3.36Å; I415-F435 HydrophobicContact CD1-CE1 4.04Å; I415-F435 HydrophobicContact CD1-CE2 3.59Å; I415-F435 HydrophobicContact CD1-CG 3.5Å; I415-F435 HydrophobicContact CD1-CZ 3.91Å; N431-F435 WeakPolarHBondContact ND2-CE2 3.47Å; N431-F435 WeakPolarHBondContact O-CD2 3.23Å; N431-F435 PolarHBondContact O-N 3.47Å; N431-F435 VanDerWaalsContact O-N 3.07Å; Y432-F435 PolarHBondContact O-N 2.89Å; F435-V438 PolarHBondContact O-N 3.26Å; F435-Y439 WeakPolarHBondContact O-CB 3.29Å; F435-Y439 PolarHBondContact O-N 2.94Å |
| 436 | R | 97.6 | Very high | 97 | Very high | 57 Ų | 57 | 43.2 Ų | 43.2 | 22% | 0.215 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.3 | -49.4 | 175.2 | 175.3 | -179.9 | 169 | -148.4 | -5.4 | 111.3 | L349 N353 L412 Y432 E433 V438 Y439 E440 | L349-R436 HydrophobicContact CD1-CG 4.23Å; L349-R436 HydrophobicContact CD2-CG 4.08Å; N353-R436 PolarHBondContact ND2-NE 2.96Å; L412-R436 HydrophobicContact CD1-CB 4.31Å; Y432-R436 VanDerWaalsContact O-CB 3.25Å; Y432-R436 WeakPolarHBondContact O-CB 3.48Å; Y432-R436 PolarHBondContact O-N 3.07Å; E433-R436 PolarHBondContact O-N 3.04Å; E433-R436 IonicContact OE1-NH1 3.75Å; E433-R436 IonicContact OE2-NH1 4Å; E433-R436 PolarHBondContact OE2-NH1 3.36Å; R436-V438 VanDerWaalsContact C-N 3.31Å; R436-V438 PolarHBondContact O-N 3.42Å; R436-Y439 WeakPolarHBondContact O-CB 3.17Å; R436-Y439 PolarHBondContact O-N 3.4Å; R436-E440 HydrophobicContact CG-CG 4.42Å; R436-E440 IonicContact CZ-OE1 2.82Å; R436-E440 VanDerWaalsContact CZ-OE1 3.31Å; R436-E440 IonicContact NE-OE1 3.69Å; R436-E440 PolarHBondContact NE-OE1 3.18Å; R436-E440 IonicContact NE-OE2 3.83Å; R436-E440 IonicContact NH2-OE1 3.66Å; R436-E440 PolarHBondContact NH2-OE1 3.39Å; R436-E440 WeakPolarHBondContact O-CG 3.46Å; R436-E440 PolarHBondContact O-N 3.08Å |
| 437 | K | 97.7 | Very high | 97 | Very high | 143 Ų | 143 | 38.1 Ų | 38.1 | 62% | 0.622 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -59.9 | -41.6 | 179.9 | -175.8 | 174.3 | -179.4 | 175.2 | 0 | 112 | E433 A434 E440 E441 | E433-K437 WeakPolarHBondContact O-CB 3.23Å; E433-K437 PolarHBondContact O-N 2.97Å; A434-K437 PolarHBondContact O-N 3.19Å; K437-E440 PolarHBondContact O-N 3.31Å; K437-E441 WeakPolarHBondContact O-CB 3.1Å; K437-E441 PolarHBondContact O-N 2.93Å |
| 438 | V | 97.7 | Very high | 96.9 | Very high | 11 Ų | 11 | 40 Ų | 40 | 7% | 0.067 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.8 | -36.6 | 177.7 | 176.7 | 0 | 0 | 0 | 0 | 111.8 | N169 L173 L408 A434 F435 R436 S442 | N169-V438 HydrophobicContact CB-CG1 3.99Å; N169-V438 HydrophobicContact CB-CG2 4.32Å; N169-V438 WeakPolarHBondContact O-CG2 3.3Å; L173-V438 HydrophobicContact CD1-CB 4.3Å; L173-V438 HydrophobicContact CD1-CG1 4.25Å; L173-V438 HydrophobicContact CD1-CG2 4.16Å; L173-V438 HydrophobicContact CD2-CB 4.38Å; L173-V438 HydrophobicContact CD2-CG2 3.76Å; L173-V438 HydrophobicContact CG-CG2 4.07Å; L408-V438 HydrophobicContact CD1-CG1 3.75Å; L408-V438 HydrophobicContact CD2-CG1 4.13Å; A434-V438 WeakPolarHBondContact O-CG2 3.41Å; A434-V438 PolarHBondContact O-N 2.99Å; F435-V438 PolarHBondContact O-N 3.26Å; R436-V438 VanDerWaalsContact C-N 3.31Å; R436-V438 PolarHBondContact O-N 3.42Å; V438-S442 WeakPolarHBondContact O-CB 3.22Å; V438-S442 PolarHBondContact O-N 3.46Å; V438-S442 PolarHBondContact O-OG 2.91Å |
| 439 | Y | 97.7 | Very high | 96.8 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 6% | 0.063 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.1 | -49.3 | 170.8 | 172.2 | -90.4 | 0 | 0 | 0 | 111.3 | L349 F371 S375 I405 V409 L412 F435 R436 E441 S442 V443 | L349-Y439 HydrophobicContact CD1-CD1 4.49Å; L349-Y439 HydrophobicContact CD2-CD1 4.07Å; L349-Y439 HydrophobicContact CD2-CE1 4.22Å; F371-Y439 HydrophobicContact CE1-CE2 4.39Å; F371-Y439 HydrophobicContact CE2-CD1 4.42Å; F371-Y439 AromaticContact CE2-CE1 3.67Å; F371-Y439 HydrophobicContact CE2-CE1 3.67Å; F371-Y439 HydrophobicContact CE2-CE2 4.03Å; F371-Y439 AromaticContact CE2-CZ 3.44Å; F371-Y439 VanDerWaalsContact CE2-CZ 3.44Å; F371-Y439 WeakPolarHBondContact CE2-OH 3.38Å; F371-Y439 HydrophobicContact CZ-CD1 4.22Å; F371-Y439 AromaticContact CZ-CD2 3.96Å; F371-Y439 HydrophobicContact CZ-CD2 3.96Å; F371-Y439 AromaticContact CZ-CE1 3.79Å; F371-Y439 HydrophobicContact CZ-CE1 3.79Å; F371-Y439 AromaticContact CZ-CE2 3.47Å; F371-Y439 HydrophobicContact CZ-CE2 3.47Å; F371-Y439 VanDerWaalsContact CZ-CE2 3.47Å; F371-Y439 HydrophobicContact CZ-CG 4.31Å; F371-Y439 AromaticContact CZ-CZ 3.39Å; S375-Y439 PolarHBondContact OG-OH 2.99Å; I405-Y439 HydrophobicContact CG2-CE2 3.97Å; V409-Y439 HydrophobicContact CG2-CD2 4.18Å; V409-Y439 HydrophobicContact CG2-CE2 3.68Å; L412-Y439 HydrophobicContact CD2-CD1 4.48Å; L412-Y439 HydrophobicContact CD2-CG 4.17Å; F435-Y439 WeakPolarHBondContact O-CB 3.29Å; F435-Y439 PolarHBondContact O-N 2.94Å; R436-Y439 WeakPolarHBondContact O-CB 3.17Å; R436-Y439 PolarHBondContact O-N 3.4Å; Y439-E441 VanDerWaalsContact C-N 3.34Å; Y439-E441 PolarHBondContact O-N 3.49Å; Y439-S442 WeakPolarHBondContact O-CB 3.37Å; Y439-S442 PolarHBondContact O-N 2.84Å; Y439-S442 VanDerWaalsContact O-N 3.13Å; Y439-V443 HydrophobicContact CD1-CG2 4.09Å; Y439-V443 HydrophobicContact CD2-CG2 4.38Å; Y439-V443 HydrophobicContact CE1-CG2 3.59Å; Y439-V443 HydrophobicContact CE2-CG2 3.93Å; Y439-V443 HydrophobicContact CG-CG2 4.45Å; Y439-V443 VanDerWaalsContact CZ-CG2 3.49Å; Y439-V443 WeakPolarHBondContact O-CG2 3.32Å; Y439-V443 PolarHBondContact O-N 3.48Å |
| 440 | E | 96.7 | Very high | 96.7 | Very high | 56 Ų | 56 | 35.3 Ų | 35.3 | 26% | 0.262 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58.7 | -44.1 | 178.3 | -74 | 171.6 | 163.1 | 0 | 0 | 111.5 | L349 R436 K437 S442 V443 N444 | L349-E440 HydrophobicContact CD2-CG 3.35Å; L349-E440 WeakPolarHBondContact CD2-OE1 3.37Å; R436-E440 HydrophobicContact CG-CG 4.42Å; R436-E440 IonicContact CZ-OE1 2.82Å; R436-E440 VanDerWaalsContact CZ-OE1 3.31Å; R436-E440 IonicContact NE-OE1 3.69Å; R436-E440 PolarHBondContact NE-OE1 3.18Å; R436-E440 IonicContact NE-OE2 3.83Å; R436-E440 IonicContact NH2-OE1 3.66Å; R436-E440 PolarHBondContact NH2-OE1 3.39Å; R436-E440 WeakPolarHBondContact O-CG 3.46Å; R436-E440 PolarHBondContact O-N 3.08Å; K437-E440 PolarHBondContact O-N 3.31Å; E440-S442 VanDerWaalsContact C-N 3.32Å; E440-S442 PolarHBondContact O-N 3.38Å; E440-V443 PolarHBondContact O-N 3.39Å; E440-N444 WeakPolarHBondContact O-CB 3.42Å; E440-N444 VanDerWaalsContact O-CG 3.24Å; E440-N444 PolarHBondContact O-N 3.01Å; E440-N444 PolarHBondContact O-ND2 3.26Å |
| 441 | E | 96.5 | Very high | 96.5 | Very high | 92 Ų | 92 | 33.3 Ų | 33.3 | 43% | 0.43 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -59.5 | -42 | 175 | -171.3 | 61.5 | -153.2 | 0 | 0 | 112 | Y165 K437 Y439 N444 L445 | Y165-E441 PolarHBondContact OH-O 3.49Å; K437-E441 WeakPolarHBondContact O-CB 3.1Å; K437-E441 PolarHBondContact O-N 2.93Å; Y439-E441 VanDerWaalsContact C-N 3.34Å; Y439-E441 PolarHBondContact O-N 3.49Å; E441-N444 PolarHBondContact O-N 2.85Å; E441-L445 PolarHBondContact O-N 2.83Å |
| 442 | S | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.2 | -40 | 177.9 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | Y165 V438 Y439 E440 L446 | Y165-S442 WeakPolarHBondContact OH-CA 3.46Å; Y165-S442 PolarHBondContact OH-N 3.41Å; V438-S442 WeakPolarHBondContact O-CB 3.22Å; V438-S442 PolarHBondContact O-N 3.46Å; V438-S442 PolarHBondContact O-OG 2.91Å; Y439-S442 WeakPolarHBondContact O-CB 3.37Å; Y439-S442 PolarHBondContact O-N 2.84Å; Y439-S442 VanDerWaalsContact O-N 3.13Å; E440-S442 VanDerWaalsContact C-N 3.32Å; E440-S442 PolarHBondContact O-N 3.38Å; S442-L446 WeakPolarHBondContact O-CB 3.45Å; S442-L446 PolarHBondContact O-N 3.1Å |
| 443 | V | 96.7 | Very high | 96 | Very high | 8 Ų | 8 | 40 Ų | 40 | 5% | 0.048 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.3 | -37.6 | 175.2 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | K345 M378 I405 Y439 E440 L446 Y447 | K345-V443 HydrophobicContact CD-CG1 4.2Å; M378-V443 HydrophobicContact CE-CG1 4.36Å; M378-V443 HydrophobicContact CE-CG2 3.81Å; M378-V443 HydrophobicContact SD-CG1 4.06Å; I405-V443 HydrophobicContact CD1-CG2 3.88Å; I405-V443 HydrophobicContact CG1-CG2 4.14Å; Y439-V443 HydrophobicContact CD1-CG2 4.09Å; Y439-V443 HydrophobicContact CD2-CG2 4.38Å; Y439-V443 HydrophobicContact CE1-CG2 3.59Å; Y439-V443 HydrophobicContact CE2-CG2 3.93Å; Y439-V443 HydrophobicContact CG-CG2 4.45Å; Y439-V443 VanDerWaalsContact CZ-CG2 3.49Å; Y439-V443 WeakPolarHBondContact O-CG2 3.32Å; Y439-V443 PolarHBondContact O-N 3.48Å; E440-V443 PolarHBondContact O-N 3.39Å; V443-L446 PolarHBondContact O-N 3.02Å; V443-Y447 WeakPolarHBondContact O-CB 3.43Å; V443-Y447 PolarHBondContact O-N 3.32Å |
| 444 | N | 95.6 | Very high | 95.7 | Very high | 69 Ų | 69 | 35.9 Ų | 35.9 | 37% | 0.369 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -68.2 | -41.1 | 177.5 | -74.9 | -27.9 | 0 | 0 | 0 | 112.1 | K345 E440 E441 Y447 S448 | K345-N444 PolarHBondContact NZ-OD1 3.19Å; E440-N444 WeakPolarHBondContact O-CB 3.42Å; E440-N444 VanDerWaalsContact O-CG 3.24Å; E440-N444 PolarHBondContact O-N 3.01Å; E440-N444 PolarHBondContact O-ND2 3.26Å; E441-N444 PolarHBondContact O-N 2.85Å; N444-Y447 PolarHBondContact O-N 2.87Å; N444-S448 WeakPolarHBondContact O-CB 3.3Å; N444-S448 PolarHBondContact O-N 3.28Å |
| 445 | L | 96.3 | Very high | 95.2 | Very high | 32 Ų | 32 | 36.7 Ų | 36.7 | 17% | 0.168 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.6 | -52 | 170.4 | 177 | 61.2 | 0 | 0 | 0 | 110.6 | Y165 L400 A401 E441 Y447 S448 C449 | Y165-L445 HydrophobicContact CD2-CD2 4.28Å; Y165-L445 HydrophobicContact CE1-CD2 4.44Å; Y165-L445 HydrophobicContact CE2-CD2 3.7Å; L400-L445 HydrophobicContact CD2-CD2 4.32Å; A401-L445 HydrophobicContact CB-CB 4.3Å; A401-L445 HydrophobicContact CB-CD2 3.99Å; A401-L445 HydrophobicContact CB-CG 4.03Å; E441-L445 PolarHBondContact O-N 2.83Å; L445-Y447 VanDerWaalsContact C-N 3.3Å; L445-Y447 PolarHBondContact O-N 3.48Å; L445-S448 PolarHBondContact O-N 2.86Å; L445-C449 PolarHBondContact O-N 3.22Å; L445-C449 VanDerWaalsContact O-N 3.07Å; L445-C449 PolarHBondContact O-SG 2.85Å |
| 446 | L | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.4 | -46 | 179.2 | -175.9 | 59.6 | 0 | 0 | 0 | 111.9 | F342 M378 A382 I398 A401 I405 S442 V443 C449 V450 | F342-L446 HydrophobicContact CE1-CD2 3.91Å; F342-L446 HydrophobicContact CE1-CG 3.78Å; F342-L446 HydrophobicContact CZ-CD1 4.47Å; F342-L446 HydrophobicContact CZ-CD2 3.76Å; F342-L446 HydrophobicContact CZ-CG 3.7Å; M378-L446 HydrophobicContact CE-CD2 4.23Å; M378-L446 HydrophobicContact CG-CD2 3.79Å; M378-L446 HydrophobicContact SD-CD2 4.1Å; A382-L446 HydrophobicContact CB-CD1 3.71Å; A382-L446 HydrophobicContact CB-CG 4.45Å; I398-L446 HydrophobicContact CB-CD1 4.24Å; I398-L446 HydrophobicContact CG1-CD1 4.2Å; I398-L446 HydrophobicContact CG2-CD1 3.79Å; A401-L446 HydrophobicContact CB-CB 3.74Å; A401-L446 HydrophobicContact CB-CD1 4.21Å; I405-L446 HydrophobicContact CD1-CB 4.19Å; I405-L446 HydrophobicContact CD1-CD2 3.61Å; S442-L446 WeakPolarHBondContact O-CB 3.45Å; S442-L446 PolarHBondContact O-N 3.1Å; V443-L446 PolarHBondContact O-N 3.02Å; L446-C449 PolarHBondContact O-N 2.96Å; L446-V450 HydrophobicContact CD1-CG2 4.26Å; L446-V450 WeakPolarHBondContact O-CB 3.4Å; L446-V450 VanDerWaalsContact O-CG2 3.29Å; L446-V450 WeakPolarHBondContact O-CG2 3.35Å; L446-V450 PolarHBondContact O-N 2.87Å |
| 447 | Y | 95.5 | Very high | 94.4 | Very high | 13 Ų | 13 | 37.3 Ų | 37.3 | 5% | 0.051 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.8 | -45 | 179.8 | -179.8 | -96.3 | 0 | 0 | 0 | 112.4 | F342 K345 V443 N444 L445 V450 N451 Y499 E502 | F342-Y447 HydrophobicContact CB-CD2 4.16Å; F342-Y447 HydrophobicContact CB-CE2 4.27Å; F342-Y447 AromaticContact CD1-CD2 3.82Å; F342-Y447 HydrophobicContact CD1-CD2 3.82Å; F342-Y447 HydrophobicContact CG-CD2 4.37Å; K345-Y447 HydrophobicContact CD-CD2 3.73Å; K345-Y447 HydrophobicContact CD-CE2 4.12Å; K345-Y447 HydrophobicContact CD-CG 4.03Å; V443-Y447 WeakPolarHBondContact O-CB 3.43Å; V443-Y447 PolarHBondContact O-N 3.32Å; N444-Y447 PolarHBondContact O-N 2.87Å; L445-Y447 VanDerWaalsContact C-N 3.3Å; L445-Y447 PolarHBondContact O-N 3.48Å; Y447-V450 PolarHBondContact O-N 3.27Å; Y447-N451 WeakPolarHBondContact CE1-ND2 3.37Å; Y447-N451 WeakPolarHBondContact O-CB 3.45Å; Y447-N451 PolarHBondContact O-N 3.33Å; Y447-N451 VanDerWaalsContact O-N 3.07Å; Y447-N451 PolarHBondContact O-ND2 3.49Å; Y447-Y499 HydrophobicContact CE2-CD2 4.31Å; Y447-Y499 AromaticContact CE2-CE2 3.64Å; Y447-Y499 HydrophobicContact CE2-CE2 3.64Å; Y447-Y499 AromaticContact CZ-CE2 3.9Å; Y447-Y499 WeakPolarHBondContact OH-CE2 3.18Å; Y447-E502 WeakPolarHBondContact CE1-OE1 3.19Å; Y447-E502 PolarHBondContact OH-OE1 2.91Å; Y447-E502 PolarHBondContact OH-OE2 3.33Å |
| 448 | S | 93.4 | Very high | 94.1 | Very high | 74 Ų | 74 | 31.9 Ų | 31.9 | 52% | 0.517 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60 | -51 | 177.5 | -170.9 | 0 | 0 | 0 | 0 | 111 | N444 L445 V450 N451 E452 | N444-S448 WeakPolarHBondContact O-CB 3.3Å; N444-S448 PolarHBondContact O-N 3.28Å; L445-S448 PolarHBondContact O-N 2.86Å; S448-V450 PolarHBondContact O-N 3.01Å; S448-N451 PolarHBondContact O-N 2.86Å; S448-E452 PolarHBondContact O-N 2.89Å |
| 449 | C | 94.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64 | -41.4 | -179 | -60.9 | 0 | 0 | 0 | 0 | 112.3 | C394 Q397 I398 L445 L446 N451 E452 L453 | C394-C449 VanDerWaalsContact SG-CA 3.59Å; C394-C449 VanDerWaalsContact SG-CB 3.56Å; C394-C449 PolarHBondContact SG-O 3.01Å; Q397-C449 VanDerWaalsContact CB-SG 3.53Å; Q397-C449 PolarHBondContact OE1-SG 3.22Å; Q397-C449 VanDerWaalsContact OE1-SG 3.42Å; I398-C449 HydrophobicContact CD1-CB 4.09Å; I398-C449 HydrophobicContact CG1-CB 3.49Å; I398-C449 VanDerWaalsContact CG1-CB 3.49Å; L445-C449 PolarHBondContact O-N 3.22Å; L445-C449 VanDerWaalsContact O-N 3.07Å; L445-C449 PolarHBondContact O-SG 2.85Å; L446-C449 PolarHBondContact O-N 2.96Å; C449-N451 VanDerWaalsContact C-N 3.33Å; C449-N451 PolarHBondContact O-N 3.37Å; C449-E452 WeakPolarHBondContact O-CB 3.29Å; C449-E452 PolarHBondContact O-N 3.2Å; C449-L453 PolarHBondContact O-N 3.06Å |
| 450 | V | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.2 | -44.8 | 176.6 | 161.6 | 0 | 0 | 0 | 0 | 111.2 | T338 F342 A382 L385 I398 L446 Y447 S448 E452 L453 I454 | T338-V450 HydrophobicContact CG2-CG1 3.29Å; F342-V450 HydrophobicContact CD2-CG1 3.98Å; F342-V450 HydrophobicContact CE1-CG2 4.41Å; F342-V450 HydrophobicContact CE2-CB 4.3Å; F342-V450 HydrophobicContact CE2-CG1 3.93Å; F342-V450 HydrophobicContact CE2-CG2 3.86Å; F342-V450 HydrophobicContact CG-CG1 4.49Å; F342-V450 HydrophobicContact CZ-CB 4.27Å; F342-V450 HydrophobicContact CZ-CG1 4.37Å; F342-V450 HydrophobicContact CZ-CG2 3.68Å; A382-V450 HydrophobicContact CB-CG2 3.9Å; L385-V450 HydrophobicContact CD2-CB 4.41Å; L385-V450 HydrophobicContact CD2-CG1 4.01Å; L385-V450 HydrophobicContact CD2-CG2 4.41Å; I398-V450 HydrophobicContact CD1-CG2 4.11Å; I398-V450 HydrophobicContact CG1-CG2 4.49Å; L446-V450 HydrophobicContact CD1-CG2 4.26Å; L446-V450 WeakPolarHBondContact O-CB 3.4Å; L446-V450 VanDerWaalsContact O-CG2 3.29Å; L446-V450 WeakPolarHBondContact O-CG2 3.35Å; L446-V450 PolarHBondContact O-N 2.87Å; Y447-V450 PolarHBondContact O-N 3.27Å; S448-V450 PolarHBondContact O-N 3.01Å; V450-E452 VanDerWaalsContact C-N 3.32Å; V450-E452 PolarHBondContact O-N 3.39Å; V450-L453 PolarHBondContact O-N 2.8Å; V450-I454 HydrophobicContact CG1-CD1 3.75Å; V450-I454 HydrophobicContact CG1-CG1 4.45Å; V450-I454 VanDerWaalsContact O-CG1 3.25Å; V450-I454 WeakPolarHBondContact O-CG1 3.36Å; V450-I454 PolarHBondContact O-N 2.91Å; V450-I454 VanDerWaalsContact O-N 3.08Å |
| 451 | N | 92.6 | Very high | 93.6 | Very high | 11 Ų | 11 | 28 Ų | 28 | 6% | 0.059 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.5 | -28.8 | 179.6 | -74.1 | -26.9 | 0 | 0 | 0 | 113.4 | Y447 S448 C449 Y499 K507 | Y447-N451 WeakPolarHBondContact CE1-ND2 3.37Å; Y447-N451 WeakPolarHBondContact O-CB 3.45Å; Y447-N451 PolarHBondContact O-N 3.33Å; Y447-N451 VanDerWaalsContact O-N 3.07Å; Y447-N451 PolarHBondContact O-ND2 3.49Å; S448-N451 PolarHBondContact O-N 2.86Å; C449-N451 VanDerWaalsContact C-N 3.33Å; C449-N451 PolarHBondContact O-N 3.37Å; N451-Y499 PolarHBondContact OD1-OH 2.95Å; N451-K507 PolarHBondContact O-NZ 3.45Å |
| 452 | E | 92.2 | Very high | 93.4 | Very high | 118 Ų | 118 | 23.6 Ų | 23.6 | 55% | 0.551 | 13% | 0.133 | S | C | * | . | H | α-helix | trans | -63.6 | -45.2 | 170.2 | -173.6 | 177 | -179.6 | 0 | 0 | 111.2 | S448 C449 V450 I454 | S448-E452 PolarHBondContact O-N 2.89Å; C449-E452 WeakPolarHBondContact O-CB 3.29Å; C449-E452 PolarHBondContact O-N 3.2Å; V450-E452 VanDerWaalsContact C-N 3.32Å; V450-E452 PolarHBondContact O-N 3.39Å; E452-I454 PolarHBondContact O-N 2.76Å |
| 453 | L | 91.4 | Very high | 93.3 | Very high | 31 Ų | 31 | 23.6 Ų | 23.6 | 16% | 0.162 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.5 | -30.4 | 178.7 | -72.8 | -168.7 | 0 | 0 | 0 | 114.5 | L385 S389 D391 C394 I398 C449 V450 G455 | L385-L453 HydrophobicContact CD2-CB 3.65Å; L385-L453 HydrophobicContact CD2-CD1 4.08Å; L385-L453 HydrophobicContact CD2-CG 4.49Å; L385-L453 HydrophobicContact CG-CB 4.08Å; L385-L453 HydrophobicContact CG-CD1 4.06Å; S389-L453 WeakPolarHBondContact OG-CD2 3.33Å; D391-L453 HydrophobicContact CB-CD2 3.71Å; C394-L453 HydrophobicContact CB-CD2 3.76Å; C394-L453 HydrophobicContact CB-CG 4.22Å; I398-L453 HydrophobicContact CD1-CD1 3.38Å; I398-L453 HydrophobicContact CD1-CG 4.21Å; C449-L453 PolarHBondContact O-N 3.06Å; V450-L453 PolarHBondContact O-N 2.8Å; L453-G455 PolarHBondContact O-N 3.44Å |
| 454 | I | 91.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -69.4 | 124 | -176.8 | -73.3 | 168 | 0 | 0 | 0 | 110.4 | I335 T338 L385 V450 E452 F459 K507 | I335-I454 HydrophobicContact CD1-CG2 4.32Å; I335-I454 HydrophobicContact CG1-CG1 4.41Å; I335-I454 HydrophobicContact CG1-CG2 4.35Å; I335-I454 HydrophobicContact CG2-CG2 4.35Å; T338-I454 HydrophobicContact CG2-CD1 3.97Å; L385-I454 HydrophobicContact CD1-CG1 4.47Å; L385-I454 HydrophobicContact CD2-CG1 3.94Å; V450-I454 HydrophobicContact CG1-CD1 3.75Å; V450-I454 HydrophobicContact CG1-CG1 4.45Å; V450-I454 VanDerWaalsContact O-CG1 3.25Å; V450-I454 WeakPolarHBondContact O-CG1 3.36Å; V450-I454 PolarHBondContact O-N 2.91Å; V450-I454 VanDerWaalsContact O-N 3.08Å; E452-I454 PolarHBondContact O-N 2.76Å; I454-F459 HydrophobicContact CG2-CB 3.51Å; I454-F459 HydrophobicContact CG2-CD2 3.85Å; I454-F459 HydrophobicContact CG2-CG 3.89Å; I454-K507 WeakPolarHBondContact O-CE 3.46Å; I454-K507 PolarHBondContact O-NZ 3.29Å |
| 455 | G | 88.9 | Confident | 93 | Very high | 35 Ų | 35 | 21.9 Ų | 21.9 | 36% | 0.361 | 12% | 0.124 | S | C | . | . | trans | -71 | 133.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L453 H457 F459 | L453-G455 PolarHBondContact O-N 3.44Å; G455-H457 PolarHBondContact O-N 3.06Å; G455-F459 WeakPolarHBondContact O-CB 3.37Å; G455-F459 PolarHBondContact O-N 3.3Å | ||
| 456 | M | 89.2 | Confident | 92.8 | Very high | 13 Ų | 13 | 20.7 Ų | 20.7 | 6% | 0.064 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.7 | -47.8 | -176.7 | -177.5 | 175.7 | 67.5 | 0 | 0 | 113.3 | F459 L460 I504 K507 M508 Y517 A576 | M456-F459 WeakPolarHBondContact O-CB 3.48Å; M456-F459 PolarHBondContact O-N 3.39Å; M456-L460 HydrophobicContact CG-CD1 3.95Å; M456-L460 WeakPolarHBondContact O-CG 3.48Å; M456-L460 PolarHBondContact O-N 3.49Å; M456-I504 HydrophobicContact CG-CD1 3.75Å; M456-I504 HydrophobicContact SD-CD1 4.34Å; M456-K507 HydrophobicContact CB-CD 3.86Å; M456-K507 HydrophobicContact CG-CD 4.3Å; M456-M508 HydrophobicContact CE-CE 4.3Å; M456-M508 HydrophobicContact SD-CE 3.34Å; M456-M508 WeakPolarHBondContact SD-CE 3.32Å; M456-Y517 WeakPolarHBondContact CE-OH 3.12Å; M456-A576 HydrophobicContact CE-CB 4.21Å; M456-A576 HydrophobicContact SD-CB 4.41Å |
| 457 | H | 88.3 | Confident | 92.8 | Very high | 58 Ų | 58 | 20.7 Ų | 20.7 | 27% | 0.269 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -66.9 | -48.6 | -175.8 | -59.5 | -67.7 | 0 | 0 | 0 | 111.9 | G455 F459 L460 A461 A576 L577 | G455-H457 PolarHBondContact O-N 3.06Å; H457-F459 VanDerWaalsContact C-N 3.26Å; H457-F459 PolarHBondContact O-N 2.85Å; H457-L460 PolarHBondContact O-N 3.47Å; H457-A461 WeakPolarHBondContact O-CB 3.49Å; H457-A461 PolarHBondContact O-N 2.88Å; H457-A576 PolarHBondContact CE1-O 3.49Å; H457-L577 HydrophobicContact CB-CD2 4.35Å; H457-L577 WeakPolarHBondContact ND1-CD2 3.43Å |
| 458 | D | 91.3 | Very high | 92.8 | Very high | 30 Ų | 30 | 22 Ų | 22 | 16% | 0.16 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.2 | -34 | 176 | -68.8 | -54.6 | 0 | 0 | 0 | 111.7 | I331 R332 I335 V462 | I331-D458 HydrophobicContact CG2-CB 4.36Å; R332-D458 HydrophobicContact CG-CB 4.07Å; R332-D458 IonicContact CZ-OD1 3.84Å; R332-D458 IonicContact NE-OD1 2.68Å; R332-D458 PolarHBondContact NE-OD1 2.83Å; R332-D458 IonicContact NH2-OD1 2.67Å; R332-D458 PolarHBondContact NH2-OD1 2.94Å; I335-D458 HydrophobicContact CD1-CB 3.56Å; D458-V462 VanDerWaalsContact O-CB 3.29Å; D458-V462 WeakPolarHBondContact O-CB 3.28Å; D458-V462 WeakPolarHBondContact O-CG2 3.44Å; D458-V462 PolarHBondContact O-N 3.24Å |
| 459 | F | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.3 | -48.1 | 173.4 | 176.4 | -106.9 | 0 | 0 | 0 | 113.5 | I335 I454 G455 M456 H457 V462 S463 Y499 I500 V503 I504 | I335-F459 HydrophobicContact CG2-CB 4.34Å; I335-F459 HydrophobicContact CG2-CD2 3.97Å; I454-F459 HydrophobicContact CG2-CB 3.51Å; I454-F459 HydrophobicContact CG2-CD2 3.85Å; I454-F459 HydrophobicContact CG2-CG 3.89Å; G455-F459 WeakPolarHBondContact O-CB 3.37Å; G455-F459 PolarHBondContact O-N 3.3Å; M456-F459 WeakPolarHBondContact O-CB 3.48Å; M456-F459 PolarHBondContact O-N 3.39Å; H457-F459 VanDerWaalsContact C-N 3.26Å; H457-F459 PolarHBondContact O-N 2.85Å; F459-V462 PolarHBondContact O-N 3.39Å; F459-S463 WeakPolarHBondContact O-CB 3.46Å; F459-S463 PolarHBondContact O-N 2.95Å; F459-S463 PolarHBondContact O-OG 3.46Å; F459-Y499 HydrophobicContact CE2-CD1 4.13Å; F459-Y499 AromaticContact CE2-CE1 3.66Å; F459-Y499 HydrophobicContact CE2-CE1 3.66Å; F459-Y499 HydrophobicContact CZ-CD1 4.03Å; F459-Y499 AromaticContact CZ-CE1 3.95Å; F459-Y499 HydrophobicContact CZ-CE1 3.95Å; F459-I500 HydrophobicContact CE1-CB 4.48Å; F459-I500 HydrophobicContact CE1-CG1 4.32Å; F459-I500 HydrophobicContact CE1-CG2 4.5Å; F459-I500 HydrophobicContact CZ-CG1 4.23Å; F459-V503 HydrophobicContact CD1-CB 4.4Å; F459-V503 HydrophobicContact CD1-CG1 3.82Å; F459-V503 HydrophobicContact CE1-CB 3.67Å; F459-V503 HydrophobicContact CE1-CG1 3.61Å; F459-V503 HydrophobicContact CE1-CG2 4.22Å; F459-V503 HydrophobicContact CE2-CG1 4.48Å; F459-V503 HydrophobicContact CE2-CG2 4.36Å; F459-V503 HydrophobicContact CG-CG1 4.34Å; F459-V503 HydrophobicContact CZ-CB 3.81Å; F459-V503 HydrophobicContact CZ-CG1 3.96Å; F459-V503 HydrophobicContact CZ-CG2 3.81Å; F459-I504 HydrophobicContact CD1-CD1 4.15Å; F459-I504 HydrophobicContact CE1-CD1 4.38Å |
| 460 | L | 95 | Very high | 92.7 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67 | -41.6 | 178.6 | -73.3 | 171.4 | 0 | 0 | 0 | 111 | M456 H457 V462 S463 D464 I500 I504 L572 R573 A576 | M456-L460 HydrophobicContact CG-CD1 3.95Å; M456-L460 WeakPolarHBondContact O-CG 3.48Å; M456-L460 PolarHBondContact O-N 3.49Å; H457-L460 PolarHBondContact O-N 3.47Å; L460-V462 PolarHBondContact O-N 3.24Å; L460-S463 PolarHBondContact O-N 2.78Å; L460-D464 WeakPolarHBondContact O-CB 3.44Å; L460-D464 PolarHBondContact O-N 3.43Å; L460-I500 HydrophobicContact CD2-CG2 4.03Å; L460-I504 HydrophobicContact CD1-CD1 3.92Å; L460-I504 HydrophobicContact CD2-CD1 3.88Å; L460-I504 HydrophobicContact CD2-CG1 4Å; L460-I504 HydrophobicContact CG-CD1 3.89Å; L460-L572 HydrophobicContact CD2-CD2 3.97Å; L460-L572 HydrophobicContact CD2-CG 4.1Å; L460-R573 HydrophobicContact CB-CB 4.05Å; L460-R573 HydrophobicContact CB-CG 4.04Å; L460-A576 HydrophobicContact CD1-CB 3.37Å |
| 461 | A | 91.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.6 | -46.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | H457 D465 | H457-A461 WeakPolarHBondContact O-CB 3.49Å; H457-A461 PolarHBondContact O-N 2.88Å; A461-D465 PolarHBondContact O-N 3.14Å |
| 462 | V | 92.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66 | -40.2 | 177.7 | 166.6 | 0 | 0 | 0 | 0 | 112 | R332 I335 D336 D458 F459 L460 L466 | R332-V462 HydrophobicContact CB-CG2 3.58Å; R332-V462 HydrophobicContact CG-CG2 3.85Å; R332-V462 WeakPolarHBondContact O-CG2 3.33Å; I335-V462 HydrophobicContact CB-CG2 4.38Å; I335-V462 HydrophobicContact CG2-CB 4.11Å; I335-V462 HydrophobicContact CG2-CG1 4.11Å; I335-V462 HydrophobicContact CG2-CG2 4.26Å; D336-V462 HydrophobicContact CB-CG1 3.87Å; D458-V462 VanDerWaalsContact O-CB 3.29Å; D458-V462 WeakPolarHBondContact O-CB 3.28Å; D458-V462 WeakPolarHBondContact O-CG2 3.44Å; D458-V462 PolarHBondContact O-N 3.24Å; F459-V462 PolarHBondContact O-N 3.39Å; L460-V462 PolarHBondContact O-N 3.24Å; V462-L466 HydrophobicContact CG1-CD1 3.87Å; V462-L466 HydrophobicContact CG1-CG 4.42Å; V462-L466 VanDerWaalsContact O-CG 3.26Å; V462-L466 WeakPolarHBondContact O-CG 3.37Å; V462-L466 PolarHBondContact O-N 3.32Å; V462-L466 VanDerWaalsContact O-N 3.11Å |
| 463 | S | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -71.3 | -38.4 | -176.6 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | F459 L460 L466 M467 | F459-S463 WeakPolarHBondContact O-CB 3.46Å; F459-S463 PolarHBondContact O-N 2.95Å; F459-S463 PolarHBondContact O-OG 3.46Å; L460-S463 PolarHBondContact O-N 2.78Å; S463-L466 PolarHBondContact O-N 3.27Å; S463-M467 WeakPolarHBondContact O-CB 3.41Å; S463-M467 WeakPolarHBondContact O-CG 3.4Å; S463-M467 PolarHBondContact O-N 3.07Å |
| 464 | D | 94.5 | Very high | 93.3 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.016 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.1 | -53 | 172 | -171.6 | 12.2 | 0 | 0 | 0 | 110.4 | L460 L466 M467 L468 V569 H570 R573 | L460-D464 WeakPolarHBondContact O-CB 3.44Å; L460-D464 PolarHBondContact O-N 3.43Å; D464-L466 VanDerWaalsContact C-N 3.3Å; D464-L466 PolarHBondContact O-N 3.25Å; D464-M467 PolarHBondContact O-N 3.28Å; D464-L468 PolarHBondContact O-N 2.89Å; D464-V569 HydrophobicContact CB-CG1 4.38Å; D464-H570 IonicContact OD1-ND1 3.84Å; D464-H570 IonicContact OD2-CE1 3.8Å; D464-H570 IonicContact OD2-CG 3.82Å; D464-H570 IonicContact OD2-ND1 2.85Å; D464-H570 PolarHBondContact OD2-ND1 2.98Å; D464-R573 WeakPolarHBondContact OD2-CD 3.28Å; D464-R573 IonicContact OD2-CZ 3.31Å; D464-R573 IonicContact OD2-NH1 2.83Å; D464-R573 PolarHBondContact OD2-NH1 3.33Å |
| 465 | D | 91.9 | Very high | 93.6 | Very high | 37 Ų | 37 | 24.7 Ų | 24.7 | 20% | 0.198 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.1 | -42.6 | 176.6 | -62.8 | -18.7 | 0 | 0 | 0 | 112.5 | R280 A461 L469 N592 | R280-D465 IonicContact CZ-OD2 2.89Å; R280-D465 IonicContact NH2-OD2 3.99Å; R280-D465 PolarHBondContact NH2-OD2 2.74Å; A461-D465 PolarHBondContact O-N 3.14Å; D465-L469 WeakPolarHBondContact O-CB 3.29Å; D465-L469 PolarHBondContact O-N 3.04Å; D465-N592 VanDerWaalsContact OD1-CG 3.29Å; D465-N592 PolarHBondContact OD1-ND2 3.44Å; D465-N592 VanDerWaalsContact OD1-ND2 3.11Å; D465-N592 PolarHBondContact OD2-ND2 2.96Å |
| 466 | L | 92.9 | Very high | 93.9 | Very high | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.042 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -72.2 | -39.4 | -177.8 | -72 | 173.7 | 0 | 0 | 0 | 112.2 | D336 V462 S463 D464 L468 L469 E470 | D336-L466 WeakPolarHBondContact OD1-CD1 3.46Å; D336-L466 WeakPolarHBondContact OD1-CD2 3.34Å; V462-L466 HydrophobicContact CG1-CD1 3.87Å; V462-L466 HydrophobicContact CG1-CG 4.42Å; V462-L466 VanDerWaalsContact O-CG 3.26Å; V462-L466 WeakPolarHBondContact O-CG 3.37Å; V462-L466 PolarHBondContact O-N 3.32Å; V462-L466 VanDerWaalsContact O-N 3.11Å; S463-L466 PolarHBondContact O-N 3.27Å; D464-L466 VanDerWaalsContact C-N 3.3Å; D464-L466 PolarHBondContact O-N 3.25Å; L466-L468 VanDerWaalsContact C-N 3.34Å; L466-L469 PolarHBondContact O-N 3.29Å; L466-E470 WeakPolarHBondContact O-CG 3.35Å; L466-E470 PolarHBondContact O-N 3.47Å |
| 467 | M | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.7 | -47.1 | 174.1 | -80.9 | -58.5 | -62.8 | 0 | 0 | 110.8 | S463 D464 E470 Y471 M493 R496 I500 L565 V569 | S463-M467 WeakPolarHBondContact O-CB 3.41Å; S463-M467 WeakPolarHBondContact O-CG 3.4Å; S463-M467 PolarHBondContact O-N 3.07Å; D464-M467 PolarHBondContact O-N 3.28Å; M467-E470 PolarHBondContact O-N 2.78Å; M467-Y471 WeakPolarHBondContact O-CB 3.49Å; M467-Y471 PolarHBondContact O-N 2.68Å; M467-M493 HydrophobicContact CE-CB 4.01Å; M467-M493 HydrophobicContact CE-CE 3.95Å; M467-M493 HydrophobicContact CE-CG 4.2Å; M467-M493 HydrophobicContact SD-CB 4.41Å; M467-R496 HydrophobicContact CG-CG 4.28Å; M467-R496 HydrophobicContact SD-CB 3.73Å; M467-R496 HydrophobicContact SD-CG 3.96Å; M467-I500 HydrophobicContact CG-CD1 4.16Å; M467-L565 HydrophobicContact CE-CD2 3.82Å; M467-L565 HydrophobicContact CE-CG 3.8Å; M467-V569 HydrophobicContact CG-CG1 4.41Å; M467-V569 HydrophobicContact CG-CG2 4.28Å |
| 468 | L | 94.7 | Very high | 94.6 | Very high | 41 Ų | 41 | 27 Ų | 27 | 22% | 0.215 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.1 | -43.8 | 177.5 | -177.3 | 64.2 | 0 | 0 | 0 | 111.8 | D464 L466 E470 Y471 Q472 N596 | D464-L468 PolarHBondContact O-N 2.89Å; L466-L468 VanDerWaalsContact C-N 3.34Å; L468-E470 VanDerWaalsContact C-N 3.33Å; L468-E470 PolarHBondContact O-N 2.9Å; L468-Y471 HydrophobicContact CD1-CD1 4.42Å; L468-Y471 PolarHBondContact O-N 2.99Å; L468-Q472 VanDerWaalsContact O-CG 3.32Å; L468-Q472 WeakPolarHBondContact O-CG 3.35Å; L468-Q472 PolarHBondContact O-N 3.1Å; L468-N596 VanDerWaalsContact CD2-OD1 3.31Å; L468-N596 WeakPolarHBondContact CD2-OD1 3.46Å |
| 469 | L | 92.2 | Very high | 94.7 | Very high | 46 Ų | 46 | 28.5 Ų | 28.5 | 24% | 0.241 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60 | -43.3 | 178.2 | 177.8 | 63.1 | 0 | 0 | 0 | 111.9 | N277 D465 L466 K473 | N277-L469 HydrophobicContact CB-CD2 4.25Å; D465-L469 WeakPolarHBondContact O-CB 3.29Å; D465-L469 PolarHBondContact O-N 3.04Å; L466-L469 PolarHBondContact O-N 3.29Å; L469-K473 WeakPolarHBondContact O-CG 3.38Å; L469-K473 PolarHBondContact O-N 3.39Å; L469-K473 VanDerWaalsContact O-N 3.09Å |
| 470 | E | 93.5 | Very high | 94.6 | Very high | 21 Ų | 21 | 34.6 Ų | 34.6 | 10% | 0.098 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.8 | -38.7 | 178.5 | -75.1 | -173.1 | 179 | 0 | 0 | 113.1 | L466 M467 L468 Q472 K473 S474 S492 M493 R496 | L466-E470 WeakPolarHBondContact O-CG 3.35Å; L466-E470 PolarHBondContact O-N 3.47Å; M467-E470 PolarHBondContact O-N 2.78Å; L468-E470 VanDerWaalsContact C-N 3.33Å; L468-E470 PolarHBondContact O-N 2.9Å; E470-Q472 VanDerWaalsContact C-N 3.32Å; E470-Q472 PolarHBondContact O-N 3.15Å; E470-K473 PolarHBondContact O-N 2.96Å; E470-S474 WeakPolarHBondContact O-CB 3.18Å; E470-S474 PolarHBondContact O-N 3.26Å; E470-S492 WeakPolarHBondContact OE1-CB 3.38Å; E470-S492 PolarHBondContact OE1-OG 3.08Å; E470-S492 WeakPolarHBondContact OE2-CB 3.3Å; E470-S492 PolarHBondContact OE2-OG 3.21Å; E470-M493 HydrophobicContact CB-CG 3.74Å; E470-M493 HydrophobicContact CB-SD 4.49Å; E470-M493 PolarHBondContact OE2-N 2.82Å; E470-M493 VanDerWaalsContact OE2-N 3.16Å; E470-R496 IonicContact OE1-CZ 3.09Å; E470-R496 VanDerWaalsContact OE1-CZ 3.28Å; E470-R496 IonicContact OE1-NH1 3.87Å; E470-R496 PolarHBondContact OE1-NH1 3.36Å; E470-R496 IonicContact OE1-NH2 2.81Å; E470-R496 PolarHBondContact OE1-NH2 2.88Å; E470-R496 IonicContact OE2-CZ 3.83Å; E470-R496 IonicContact OE2-NH1 2.99Å; E470-R496 PolarHBondContact OE2-NH1 3.1Å; E470-R496 IonicContact OE2-NH2 2.71Å |
| 471 | Y | 97.4 | Very high | 94.4 | Very high | 29 Ų | 29 | 41.7 Ų | 41.7 | 11% | 0.114 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.9 | -49.8 | 171.4 | 173 | -118 | 0 | 0 | 0 | 110.5 | M467 L468 K473 S474 I475 M493 R559 H563 C566 | M467-Y471 WeakPolarHBondContact O-CB 3.49Å; M467-Y471 PolarHBondContact O-N 2.68Å; L468-Y471 HydrophobicContact CD1-CD1 4.42Å; L468-Y471 PolarHBondContact O-N 2.99Å; Y471-K473 VanDerWaalsContact C-N 3.33Å; Y471-K473 PolarHBondContact O-N 3Å; Y471-S474 WeakPolarHBondContact O-CB 3.37Å; Y471-S474 PolarHBondContact O-N 3.3Å; Y471-S474 VanDerWaalsContact O-N 3.09Å; Y471-S474 PolarHBondContact O-OG 3.27Å; Y471-I475 HydrophobicContact CD2-CD1 4.33Å; Y471-I475 HydrophobicContact CD2-CG1 4Å; Y471-I475 HydrophobicContact CE1-CG1 4.27Å; Y471-I475 HydrophobicContact CE2-CD1 3.61Å; Y471-I475 HydrophobicContact CE2-CG1 3.53Å; Y471-I475 WeakPolarHBondContact O-CG1 3.41Å; Y471-I475 PolarHBondContact O-N 2.89Å; Y471-M493 HydrophobicContact CD2-CE 4.07Å; Y471-M493 HydrophobicContact CG-CE 4.36Å; Y471-R559 PolarHBondContact OH-O 3.33Å; Y471-H563 HydrophobicContact CE1-CB 4.39Å; Y471-C566 VanDerWaalsContact CB-SG 3.59Å |
| 472 | Q | 96.1 | Very high | 94.6 | Very high | 76 Ų | 76 | 44.9 Ų | 44.9 | 36% | 0.355 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.2 | -40.4 | 177 | -71.6 | 177.1 | 5 | 0 | 0 | 113 | L468 E470 I475 R476 | L468-Q472 VanDerWaalsContact O-CG 3.32Å; L468-Q472 WeakPolarHBondContact O-CG 3.35Å; L468-Q472 PolarHBondContact O-N 3.1Å; E470-Q472 VanDerWaalsContact C-N 3.32Å; E470-Q472 PolarHBondContact O-N 3.15Å; Q472-I475 PolarHBondContact O-N 3.3Å; Q472-R476 WeakPolarHBondContact O-CG 3.41Å; Q472-R476 PolarHBondContact O-N 2.68Å |
| 473 | K | 95.6 | Very high | 94.7 | Very high | 99 Ų | 99 | 48.6 Ų | 48.6 | 43% | 0.43 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.1 | -42.7 | 174.6 | -72.3 | 173.3 | -178.3 | 176.1 | 0 | 111.5 | L469 E470 Y471 I475 R476 A477 T489 | L469-K473 WeakPolarHBondContact O-CG 3.38Å; L469-K473 PolarHBondContact O-N 3.39Å; L469-K473 VanDerWaalsContact O-N 3.09Å; E470-K473 PolarHBondContact O-N 2.96Å; Y471-K473 VanDerWaalsContact C-N 3.33Å; Y471-K473 PolarHBondContact O-N 3Å; K473-I475 VanDerWaalsContact C-N 3.3Å; K473-I475 PolarHBondContact O-N 3.38Å; K473-R476 PolarHBondContact O-N 3.3Å; K473-A477 WeakPolarHBondContact O-CB 3.42Å; K473-A477 PolarHBondContact O-N 2.92Å; K473-T489 HydrophobicContact CB-CG2 3.84Å |
| 474 | S | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 179.4 | 83.6 | 0 | 0 | 0 | 0 | 112.1 | E470 Y471 A477 L478 T489 Y558 | E470-S474 WeakPolarHBondContact O-CB 3.18Å; E470-S474 PolarHBondContact O-N 3.26Å; Y471-S474 WeakPolarHBondContact O-CB 3.37Å; Y471-S474 PolarHBondContact O-N 3.3Å; Y471-S474 VanDerWaalsContact O-N 3.09Å; Y471-S474 PolarHBondContact O-OG 3.27Å; S474-A477 PolarHBondContact O-N 3.06Å; S474-L478 WeakPolarHBondContact O-CB 3.49Å; S474-L478 PolarHBondContact O-N 3.32Å; S474-T489 VanDerWaalsContact CA-OG1 3.25Å; S474-T489 WeakPolarHBondContact CA-OG1 3.44Å; S474-T489 WeakPolarHBondContact CB-OG1 3.4Å; S474-Y558 WeakPolarHBondContact CB-OH 3.31Å |
| 475 | I | 97.3 | Very high | 94.8 | Very high | 21 Ų | 21 | 55 Ų | 55 | 11% | 0.108 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.9 | -40.9 | 177.7 | -70.1 | -45.4 | 0 | 0 | 0 | 112 | Y471 Q472 K473 L478 S479 Y558 R559 | Y471-I475 HydrophobicContact CD2-CD1 4.33Å; Y471-I475 HydrophobicContact CD2-CG1 4Å; Y471-I475 HydrophobicContact CE1-CG1 4.27Å; Y471-I475 HydrophobicContact CE2-CD1 3.61Å; Y471-I475 HydrophobicContact CE2-CG1 3.53Å; Y471-I475 WeakPolarHBondContact O-CG1 3.41Å; Y471-I475 PolarHBondContact O-N 2.89Å; Q472-I475 PolarHBondContact O-N 3.3Å; K473-I475 VanDerWaalsContact C-N 3.3Å; K473-I475 PolarHBondContact O-N 3.38Å; I475-L478 PolarHBondContact O-N 2.95Å; I475-S479 PolarHBondContact O-N 3.26Å; I475-S479 VanDerWaalsContact O-N 3.08Å; I475-S479 PolarHBondContact O-OG 3.01Å; I475-Y558 HydrophobicContact CD1-CD1 3.83Å; I475-Y558 HydrophobicContact CD1-CE1 3.96Å; I475-R559 HydrophobicContact CD1-CB 4.32Å; I475-R559 HydrophobicContact CD1-CG 3.46Å; I475-R559 VanDerWaalsContact CD1-CG 3.46Å; I475-R559 HydrophobicContact CG1-CG 4.42Å |
| 476 | R | 95.8 | Very high | 95 | Very high | 148 Ų | 148 | 53.2 Ų | 53.2 | 56% | 0.558 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -64.4 | -48.3 | 174.5 | -68.3 | 178.4 | -159.3 | 141.7 | 8.7 | 110.9 | Q472 K473 L478 S479 D480 | Q472-R476 WeakPolarHBondContact O-CG 3.41Å; Q472-R476 PolarHBondContact O-N 2.68Å; K473-R476 PolarHBondContact O-N 3.3Å; R476-L478 PolarHBondContact O-N 3.48Å; R476-S479 PolarHBondContact O-N 2.92Å; R476-S479 VanDerWaalsContact O-N 3.1Å; R476-D480 PolarHBondContact O-N 2.93Å |
| 477 | A | 95.8 | Very high | 95.1 | Very high | 8 Ų | 8 | 57.1 Ų | 57.1 | 7% | 0.066 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.3 | -38.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K473 S474 D480 K481 D482 V486 | K473-A477 WeakPolarHBondContact O-CB 3.42Å; K473-A477 PolarHBondContact O-N 2.92Å; S474-A477 PolarHBondContact O-N 3.06Å; A477-D480 CarbonylContact O-C 3.59Å; A477-D480 PolarHBondContact O-N 2.83Å; A477-K481 PolarHBondContact O-N 3.44Å; A477-K481 VanDerWaalsContact O-N 3.09Å; A477-D482 PolarHBondContact O-N 3.13Å; A477-V486 HydrophobicContact CB-CG2 3.79Å |
| 478 | L | 95.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 176 | -176.5 | 63.8 | 0 | 0 | 0 | 112 | S474 I475 R476 D480 K481 V486 T543 L547 I553 E555 Y558 | S474-L478 WeakPolarHBondContact O-CB 3.49Å; S474-L478 PolarHBondContact O-N 3.32Å; I475-L478 PolarHBondContact O-N 2.95Å; R476-L478 PolarHBondContact O-N 3.48Å; L478-D480 VanDerWaalsContact C-N 3.27Å; L478-D480 PolarHBondContact O-N 3.34Å; L478-K481 PolarHBondContact O-N 3.33Å; L478-K481 VanDerWaalsContact O-N 3.08Å; L478-V486 HydrophobicContact CB-CG2 4.11Å; L478-V486 HydrophobicContact CD1-CG2 4.39Å; L478-T543 HydrophobicContact CD1-CG2 3.63Å; L478-L547 HydrophobicContact CD1-CD1 4.2Å; L478-I553 HydrophobicContact CD1-CG2 4.32Å; L478-E555 HydrophobicContact CD2-CB 4.28Å; L478-E555 HydrophobicContact CD2-CG 4.04Å; L478-E555 HydrophobicContact CG-CG 4.25Å; L478-Y558 HydrophobicContact CD2-CD1 3.55Å; L478-Y558 HydrophobicContact CD2-CE1 4.22Å; L478-Y558 HydrophobicContact CD2-CG 3.82Å |
| 479 | S | 93.4 | Very high | 95.1 | Very high | 61 Ų | 61 | 61.4 Ų | 61.4 | 43% | 0.427 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.7 | -34.3 | 175.5 | -69.5 | 0 | 0 | 0 | 0 | 112.6 | I475 R476 K481 R559 | I475-S479 PolarHBondContact O-N 3.26Å; I475-S479 VanDerWaalsContact O-N 3.08Å; I475-S479 PolarHBondContact O-OG 3.01Å; R476-S479 PolarHBondContact O-N 2.92Å; R476-S479 VanDerWaalsContact O-N 3.1Å; S479-K481 PolarHBondContact O-N 3.2Å; S479-R559 PolarHBondContact OG-NH2 3.36Å; S479-R559 VanDerWaalsContact OG-NH2 3.11Å |
| 480 | D | 93.5 | Very high | 95.4 | Very high | 128 Ų | 128 | 59.5 Ų | 59.5 | 68% | 0.684 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -4 | 176.1 | -63.2 | -23.4 | 0 | 0 | 0 | 113 | R476 A477 L478 D482 | R476-D480 PolarHBondContact O-N 2.93Å; A477-D480 CarbonylContact O-C 3.59Å; A477-D480 PolarHBondContact O-N 2.83Å; L478-D480 VanDerWaalsContact C-N 3.27Å; L478-D480 PolarHBondContact O-N 3.34Å; D480-D482 PolarHBondContact O-N 3.14Å |
| 481 | K | 91.2 | Very high | 95.4 | Very high | 150 Ų | 150 | 60.9 Ų | 60.9 | 65% | 0.652 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 31.1 | -173.4 | -56.8 | -175.9 | 178.9 | -177.3 | 0 | 113.5 | A477 L478 S479 E483 L547 | A477-K481 PolarHBondContact O-N 3.44Å; A477-K481 VanDerWaalsContact O-N 3.09Å; L478-K481 PolarHBondContact O-N 3.33Å; L478-K481 VanDerWaalsContact O-N 3.08Å; S479-K481 PolarHBondContact O-N 3.2Å; K481-E483 PolarHBondContact O-N 2.97Å; K481-L547 HydrophobicContact CB-CD2 4.08Å; K481-L547 HydrophobicContact CG-CD2 4.45Å |
| 482 | D | 94.6 | Very high | 95.3 | Very high | 66 Ų | 66 | 60.8 Ų | 60.8 | 35% | 0.353 | 30% | 0.304 | S | S | . | . | trans | -83.4 | 93 | 175.9 | -178.9 | -6.7 | 0 | 0 | 0 | 110.2 | A477 D480 L484 S485 V486 | A477-D482 PolarHBondContact O-N 3.13Å; D480-D482 PolarHBondContact O-N 3.14Å; D482-L484 VanDerWaalsContact C-N 3.32Å; D482-L484 PolarHBondContact O-N 3.01Å; D482-L484 PolarHBondContact OD1-N 3Å; D482-S485 VanDerWaalsContact CG-CB 3.46Å; D482-S485 VanDerWaalsContact CG-OG 3.29Å; D482-S485 PolarHBondContact O-N 2.9Å; D482-S485 PolarHBondContact OD1-N 3.03Å; D482-S485 VanDerWaalsContact OD1-N 3.15Å; D482-S485 WeakPolarHBondContact OD2-CB 3.26Å; D482-S485 PolarHBondContact OD2-OG 3.44Å; D482-V486 VanDerWaalsContact O-CG2 3.3Å; D482-V486 WeakPolarHBondContact O-CG2 3.32Å; D482-V486 PolarHBondContact O-N 3.22Å | ||
| 483 | E | 94.1 | Very high | 95.4 | Very high | 78 Ų | 78 | 57.2 Ų | 57.2 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -54.4 | -43.9 | -178.9 | -174.2 | -173 | 153.7 | 0 | 0 | 112.9 | K481 V486 Q487 L544 L547 A548 | K481-E483 PolarHBondContact O-N 2.97Å; E483-V486 PolarHBondContact O-N 3.23Å; E483-Q487 WeakPolarHBondContact O-CB 3.45Å; E483-Q487 PolarHBondContact O-N 3.27Å; E483-L544 HydrophobicContact CG-CD2 3.94Å; E483-L544 WeakPolarHBondContact O-CD2 3.25Å; E483-L547 HydrophobicContact CG-CB 4.37Å; E483-A548 WeakPolarHBondContact OE2-CA 3.41Å |
| 484 | L | 95.5 | Very high | 95.4 | Very high | 103 Ų | 103 | 56.2 Ų | 56.2 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.6 | -45.9 | -176.6 | 179.1 | 64.9 | 0 | 0 | 0 | 110.8 | D482 Q487 Q488 | D482-L484 VanDerWaalsContact C-N 3.32Å; D482-L484 PolarHBondContact O-N 3.01Å; D482-L484 PolarHBondContact OD1-N 3Å; L484-Q487 PolarHBondContact O-N 3.3Å; L484-Q488 VanDerWaalsContact O-CG 3.31Å; L484-Q488 WeakPolarHBondContact O-CG 3.45Å; L484-Q488 PolarHBondContact O-N 2.8Å |
| 485 | S | 96.4 | Very high | 95.4 | Very high | 35 Ų | 35 | 59.1 Ų | 59.1 | 25% | 0.245 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.7 | -36.7 | 178.5 | -68.1 | 0 | 0 | 0 | 0 | 112.1 | D482 Q487 Q488 T489 | D482-S485 VanDerWaalsContact CG-CB 3.46Å; D482-S485 VanDerWaalsContact CG-OG 3.29Å; D482-S485 PolarHBondContact O-N 2.9Å; D482-S485 PolarHBondContact OD1-N 3.03Å; D482-S485 VanDerWaalsContact OD1-N 3.15Å; D482-S485 WeakPolarHBondContact OD2-CB 3.26Å; D482-S485 PolarHBondContact OD2-OG 3.44Å; S485-Q487 VanDerWaalsContact C-N 3.35Å; S485-Q488 PolarHBondContact O-N 3.41Å; S485-T489 WeakPolarHBondContact O-CB 3.38Å; S485-T489 WeakPolarHBondContact O-CG2 3.39Å; S485-T489 PolarHBondContact O-N 2.71Å; S485-T489 PolarHBondContact O-OG1 2.87Å |
| 486 | V | 96.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 172.2 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | A477 L478 D482 E483 T489 S490 L544 L547 Y558 | A477-V486 HydrophobicContact CB-CG2 3.79Å; L478-V486 HydrophobicContact CB-CG2 4.11Å; L478-V486 HydrophobicContact CD1-CG2 4.39Å; D482-V486 VanDerWaalsContact O-CG2 3.3Å; D482-V486 WeakPolarHBondContact O-CG2 3.32Å; D482-V486 PolarHBondContact O-N 3.22Å; E483-V486 PolarHBondContact O-N 3.23Å; V486-T489 PolarHBondContact O-OG1 2.94Å; V486-S490 VanDerWaalsContact O-CB 3.27Å; V486-S490 WeakPolarHBondContact O-CB 3.26Å; V486-S490 PolarHBondContact O-N 3.19Å; V486-S490 PolarHBondContact O-OG 3.32Å; V486-L544 HydrophobicContact CB-CD2 4.06Å; V486-L544 HydrophobicContact CG1-CD2 3.8Å; V486-L544 HydrophobicContact CG1-CG 4.31Å; V486-L547 HydrophobicContact CB-CD1 4.5Å; V486-L547 HydrophobicContact CG1-CD1 4.43Å; V486-L547 HydrophobicContact CG2-CD1 4.36Å; V486-Y558 HydrophobicContact CG1-CE2 4.27Å |
| 487 | Q | 96.5 | Very high | 95.4 | Very high | 90 Ų | 90 | 51.1 Ų | 51.1 | 42% | 0.421 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.4 | -47.2 | 178.5 | -174.6 | -179.8 | -68.6 | 0 | 0 | 111.7 | E483 L484 S485 S490 T491 L544 | E483-Q487 WeakPolarHBondContact O-CB 3.45Å; E483-Q487 PolarHBondContact O-N 3.27Å; L484-Q487 PolarHBondContact O-N 3.3Å; S485-Q487 VanDerWaalsContact C-N 3.35Å; Q487-S490 PolarHBondContact O-OG 3.33Å; Q487-S490 VanDerWaalsContact O-OG 3.13Å; Q487-T491 VanDerWaalsContact O-CB 3.24Å; Q487-T491 WeakPolarHBondContact O-CB 3.38Å; Q487-T491 PolarHBondContact O-N 2.97Å; Q487-T491 PolarHBondContact O-OG1 3.45Å; Q487-L544 HydrophobicContact CB-CD1 3.98Å; Q487-L544 HydrophobicContact CB-CD2 3.87Å; Q487-L544 HydrophobicContact CG-CD1 4.05Å |
| 488 | Q | 95.2 | Very high | 95.4 | Very high | 112 Ų | 112 | 53.3 Ų | 53.3 | 52% | 0.523 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62 | -46.5 | -179.5 | -73.1 | 175.4 | -1.2 | 0 | 0 | 111.7 | L484 S485 S492 | L484-Q488 VanDerWaalsContact O-CG 3.31Å; L484-Q488 WeakPolarHBondContact O-CG 3.45Å; L484-Q488 PolarHBondContact O-N 2.8Å; S485-Q488 PolarHBondContact O-N 3.41Å; Q488-S492 WeakPolarHBondContact O-CB 3.5Å; Q488-S492 PolarHBondContact O-N 3.45Å |
| 489 | T | 95.8 | Very high | 95.4 | Very high | 19 Ų | 19 | 53.7 Ų | 53.7 | 12% | 0.117 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.5 | -42 | -178 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | K473 S474 S485 V486 S492 M493 | K473-T489 HydrophobicContact CB-CG2 3.84Å; S474-T489 VanDerWaalsContact CA-OG1 3.25Å; S474-T489 WeakPolarHBondContact CA-OG1 3.44Å; S474-T489 WeakPolarHBondContact CB-OG1 3.4Å; S485-T489 WeakPolarHBondContact O-CB 3.38Å; S485-T489 WeakPolarHBondContact O-CG2 3.39Å; S485-T489 PolarHBondContact O-N 2.71Å; S485-T489 PolarHBondContact O-OG1 2.87Å; V486-T489 PolarHBondContact O-OG1 2.94Å; T489-S492 PolarHBondContact O-N 3.2Å; T489-M493 WeakPolarHBondContact O-CG 3.43Å; T489-M493 PolarHBondContact O-N 3.06Å |
| 490 | S | 96.7 | Very high | 95.6 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 175.7 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | V486 Q487 S492 M493 Q494 | V486-S490 VanDerWaalsContact O-CB 3.27Å; V486-S490 WeakPolarHBondContact O-CB 3.26Å; V486-S490 PolarHBondContact O-N 3.19Å; V486-S490 PolarHBondContact O-OG 3.32Å; Q487-S490 PolarHBondContact O-OG 3.33Å; Q487-S490 VanDerWaalsContact O-OG 3.13Å; S490-S492 VanDerWaalsContact C-N 3.34Å; S490-M493 PolarHBondContact O-N 3.02Å; S490-Q494 PolarHBondContact O-N 3.44Å |
| 491 | T | 95.4 | Very high | 95.8 | Very high | 50 Ų | 50 | 45 Ų | 45 | 31% | 0.307 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.6 | -42 | 174.6 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | Q487 M493 Q494 Q495 | Q487-T491 VanDerWaalsContact O-CB 3.24Å; Q487-T491 WeakPolarHBondContact O-CB 3.38Å; Q487-T491 PolarHBondContact O-N 2.97Å; Q487-T491 PolarHBondContact O-OG1 3.45Å; T491-M493 PolarHBondContact O-N 3.43Å; T491-Q494 PolarHBondContact O-N 3.17Å; T491-Q495 HydrophobicContact CG2-CG 4.27Å; T491-Q495 WeakPolarHBondContact O-CB 3.4Å; T491-Q495 VanDerWaalsContact O-CG 3.26Å; T491-Q495 WeakPolarHBondContact O-CG 3.44Å; T491-Q495 PolarHBondContact O-N 3.08Å |
| 492 | S | 94.8 | Very high | 95.9 | Very high | 27 Ų | 27 | 41.6 Ų | 41.6 | 19% | 0.189 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.3 | -41.6 | 177.8 | -159.4 | 0 | 0 | 0 | 0 | 112 | E470 Q488 T489 S490 Q494 Q495 R496 | E470-S492 WeakPolarHBondContact OE1-CB 3.38Å; E470-S492 PolarHBondContact OE1-OG 3.08Å; E470-S492 WeakPolarHBondContact OE2-CB 3.3Å; E470-S492 PolarHBondContact OE2-OG 3.21Å; Q488-S492 WeakPolarHBondContact O-CB 3.5Å; Q488-S492 PolarHBondContact O-N 3.45Å; T489-S492 PolarHBondContact O-N 3.2Å; S490-S492 VanDerWaalsContact C-N 3.34Å; S492-Q494 PolarHBondContact O-N 3.13Å; S492-Q495 PolarHBondContact O-N 2.87Å; S492-R496 WeakPolarHBondContact O-CB 3.48Å; S492-R496 PolarHBondContact O-N 3.27Å |
| 493 | M | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.8 | -43.8 | 175 | -73.1 | 175.9 | 67.6 | 0 | 0 | 112 | M467 E470 Y471 T489 S490 T491 R496 S497 F536 L565 | M467-M493 HydrophobicContact CE-CB 4.01Å; M467-M493 HydrophobicContact CE-CE 3.95Å; M467-M493 HydrophobicContact CE-CG 4.2Å; M467-M493 HydrophobicContact SD-CB 4.41Å; E470-M493 HydrophobicContact CB-CG 3.74Å; E470-M493 HydrophobicContact CB-SD 4.49Å; E470-M493 PolarHBondContact OE2-N 2.82Å; E470-M493 VanDerWaalsContact OE2-N 3.16Å; Y471-M493 HydrophobicContact CD2-CE 4.07Å; Y471-M493 HydrophobicContact CG-CE 4.36Å; T489-M493 WeakPolarHBondContact O-CG 3.43Å; T489-M493 PolarHBondContact O-N 3.06Å; S490-M493 PolarHBondContact O-N 3.02Å; T491-M493 PolarHBondContact O-N 3.43Å; M493-R496 PolarHBondContact O-N 3.23Å; M493-S497 PolarHBondContact O-N 3.41Å; M493-S497 PolarHBondContact O-OG 3.26Å; M493-F536 HydrophobicContact CB-CE1 3.87Å; M493-F536 HydrophobicContact CB-CZ 4.49Å; M493-F536 HydrophobicContact CE-CE1 4.13Å; M493-F536 HydrophobicContact CE-CE2 4.33Å; M493-F536 HydrophobicContact CE-CZ 3.91Å; M493-F536 HydrophobicContact SD-CE1 4.09Å; M493-F536 HydrophobicContact SD-CZ 3.75Å; M493-L565 HydrophobicContact CE-CD2 4.4Å |
| 494 | Q | 96.3 | Very high | 95.9 | Very high | 78 Ų | 78 | 34.8 Ų | 34.8 | 36% | 0.364 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.2 | -46.8 | 175.4 | 175.6 | -172.7 | 1.2 | 0 | 0 | 111.7 | S490 T491 S492 R496 S497 A498 T533 V537 | S490-Q494 PolarHBondContact O-N 3.44Å; T491-Q494 PolarHBondContact O-N 3.17Å; S492-Q494 PolarHBondContact O-N 3.13Å; Q494-R496 VanDerWaalsContact C-N 3.28Å; Q494-R496 PolarHBondContact O-N 2.6Å; Q494-S497 PolarHBondContact O-N 2.71Å; Q494-S497 PolarHBondContact O-OG 3.22Å; Q494-A498 WeakPolarHBondContact O-CB 3.47Å; Q494-A498 PolarHBondContact O-N 3Å; Q494-T533 HydrophobicContact CG-CG2 4.13Å; Q494-V537 HydrophobicContact CB-CG2 3.83Å; Q494-V537 HydrophobicContact CG-CG2 3.48Å; Q494-V537 VanDerWaalsContact CG-CG2 3.48Å |
| 495 | Q | 95.7 | Very high | 95.7 | Very high | 62 Ų | 62 | 32.2 Ų | 32.2 | 29% | 0.29 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.9 | -36.2 | -179.6 | -71.9 | 175.8 | -11.5 | 0 | 0 | 111.1 | M343 A344 T491 S492 Y499 | M343-Q495 HydrophobicContact CG-CB 3.59Å; M343-Q495 HydrophobicContact SD-CB 3.51Å; M343-Q495 VanDerWaalsContact SD-CB 3.51Å; A344-Q495 HydrophobicContact CB-CB 4.36Å; A344-Q495 VanDerWaalsContact CB-CD 3.42Å; A344-Q495 HydrophobicContact CB-CG 3.97Å; T491-Q495 HydrophobicContact CG2-CG 4.27Å; T491-Q495 WeakPolarHBondContact O-CB 3.4Å; T491-Q495 VanDerWaalsContact O-CG 3.26Å; T491-Q495 WeakPolarHBondContact O-CG 3.44Å; T491-Q495 PolarHBondContact O-N 3.08Å; S492-Q495 PolarHBondContact O-N 2.87Å; Q495-Y499 WeakPolarHBondContact O-CB 3.49Å; Q495-Y499 PolarHBondContact O-N 3.22Å |
| 496 | R | 96.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.6 | -44 | 175.2 | -168.3 | 169.7 | -64.1 | 89.6 | 3.4 | 112.1 | N340 M343 M467 E470 S492 M493 Q494 A498 Y499 I500 | N340-R496 PolarHBondContact OD1-NH2 3.44Å; N340-R496 VanDerWaalsContact OD1-NH2 3.14Å; M343-R496 HydrophobicContact CE-CB 3.39Å; M343-R496 HydrophobicContact CE-CG 3.64Å; M343-R496 HydrophobicContact SD-CB 4.03Å; M343-R496 PolarHBondContact SD-N 3.09Å; M343-R496 VanDerWaalsContact SD-N 3.43Å; M467-R496 HydrophobicContact CG-CG 4.28Å; M467-R496 HydrophobicContact SD-CB 3.73Å; M467-R496 HydrophobicContact SD-CG 3.96Å; E470-R496 IonicContact OE1-CZ 3.09Å; E470-R496 VanDerWaalsContact OE1-CZ 3.28Å; E470-R496 IonicContact OE1-NH1 3.87Å; E470-R496 PolarHBondContact OE1-NH1 3.36Å; E470-R496 IonicContact OE1-NH2 2.81Å; E470-R496 PolarHBondContact OE1-NH2 2.88Å; E470-R496 IonicContact OE2-CZ 3.83Å; E470-R496 IonicContact OE2-NH1 2.99Å; E470-R496 PolarHBondContact OE2-NH1 3.1Å; E470-R496 IonicContact OE2-NH2 2.71Å; S492-R496 WeakPolarHBondContact O-CB 3.48Å; S492-R496 PolarHBondContact O-N 3.27Å; M493-R496 PolarHBondContact O-N 3.23Å; Q494-R496 VanDerWaalsContact C-N 3.28Å; Q494-R496 PolarHBondContact O-N 2.6Å; R496-A498 VanDerWaalsContact C-N 3.3Å; R496-A498 PolarHBondContact O-N 3.4Å; R496-Y499 PolarHBondContact O-N 3Å; R496-I500 HydrophobicContact CG-CD1 3.9Å; R496-I500 HydrophobicContact CG-CG1 4.2Å; R496-I500 VanDerWaalsContact O-CG1 3.23Å; R496-I500 WeakPolarHBondContact O-CG1 3.42Å; R496-I500 PolarHBondContact O-N 3.45Å |
| 497 | S | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.8 | -41.6 | 178.5 | 68.9 | 0 | 0 | 0 | 0 | 111.5 | M493 Q494 I500 C501 T533 | M493-S497 PolarHBondContact O-N 3.41Å; M493-S497 PolarHBondContact O-OG 3.26Å; Q494-S497 PolarHBondContact O-N 2.71Å; Q494-S497 PolarHBondContact O-OG 3.22Å; S497-I500 PolarHBondContact O-N 2.87Å; S497-C501 PolarHBondContact O-N 2.98Å; S497-C501 PolarHBondContact O-SG 2.82Å; S497-T533 VanDerWaalsContact CB-OG1 3.29Å; S497-T533 WeakPolarHBondContact CB-OG1 3.44Å; S497-T533 WeakPolarHBondContact OG-CG2 3.33Å; S497-T533 PolarHBondContact OG-OG1 2.9Å |
| 498 | A | 95.6 | Very high | 94.4 | Very high | 54 Ų | 54 | 32.1 Ų | 32.1 | 45% | 0.446 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q494 R496 I500 C501 E502 | Q494-A498 WeakPolarHBondContact O-CB 3.47Å; Q494-A498 PolarHBondContact O-N 3Å; R496-A498 VanDerWaalsContact C-N 3.3Å; R496-A498 PolarHBondContact O-N 3.4Å; A498-I500 PolarHBondContact O-N 2.65Å; A498-C501 PolarHBondContact O-N 3.39Å; A498-E502 PolarHBondContact O-N 3.47Å |
| 499 | Y | 96.2 | Very high | 93.8 | Very high | 7 Ų | 7 | 32.5 Ų | 32.5 | 3% | 0.027 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 178.7 | -177.4 | -122.5 | 0 | 0 | 0 | 112.7 | S339 F342 Y447 N451 F459 Q495 R496 E502 V503 | S339-Y499 WeakPolarHBondContact OG-CE1 3.25Å; F342-Y499 HydrophobicContact CB-CE2 4.48Å; Y447-Y499 HydrophobicContact CE2-CD2 4.31Å; Y447-Y499 AromaticContact CE2-CE2 3.64Å; Y447-Y499 HydrophobicContact CE2-CE2 3.64Å; Y447-Y499 AromaticContact CZ-CE2 3.9Å; Y447-Y499 WeakPolarHBondContact OH-CE2 3.18Å; N451-Y499 PolarHBondContact OD1-OH 2.95Å; F459-Y499 HydrophobicContact CE2-CD1 4.13Å; F459-Y499 AromaticContact CE2-CE1 3.66Å; F459-Y499 HydrophobicContact CE2-CE1 3.66Å; F459-Y499 HydrophobicContact CZ-CD1 4.03Å; F459-Y499 AromaticContact CZ-CE1 3.95Å; F459-Y499 HydrophobicContact CZ-CE1 3.95Å; Q495-Y499 WeakPolarHBondContact O-CB 3.49Å; Q495-Y499 PolarHBondContact O-N 3.22Å; R496-Y499 PolarHBondContact O-N 3Å; Y499-E502 PolarHBondContact O-N 3.44Å; Y499-V503 HydrophobicContact CD2-CG2 3.99Å; Y499-V503 HydrophobicContact CE1-CG2 4.16Å; Y499-V503 HydrophobicContact CE2-CG2 3.58Å; Y499-V503 HydrophobicContact CG-CG2 4.44Å; Y499-V503 WeakPolarHBondContact O-CG2 3.35Å; Y499-V503 PolarHBondContact O-N 3.11Å |
| 500 | I | 97.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.9 | -51.9 | 173.8 | -67.6 | 161.7 | 0 | 0 | 0 | 109.8 | F459 L460 M467 R496 S497 A498 E502 V503 I504 V569 L572 | F459-I500 HydrophobicContact CE1-CB 4.48Å; F459-I500 HydrophobicContact CE1-CG1 4.32Å; F459-I500 HydrophobicContact CE1-CG2 4.5Å; F459-I500 HydrophobicContact CZ-CG1 4.23Å; L460-I500 HydrophobicContact CD2-CG2 4.03Å; M467-I500 HydrophobicContact CG-CD1 4.16Å; R496-I500 HydrophobicContact CG-CD1 3.9Å; R496-I500 HydrophobicContact CG-CG1 4.2Å; R496-I500 VanDerWaalsContact O-CG1 3.23Å; R496-I500 WeakPolarHBondContact O-CG1 3.42Å; R496-I500 PolarHBondContact O-N 3.45Å; S497-I500 PolarHBondContact O-N 2.87Å; A498-I500 PolarHBondContact O-N 2.65Å; I500-E502 VanDerWaalsContact C-N 3.28Å; I500-E502 PolarHBondContact O-N 3.29Å; I500-V503 PolarHBondContact O-N 3.02Å; I500-I504 HydrophobicContact CG2-CG1 4.29Å; I500-I504 WeakPolarHBondContact O-CB 3.41Å; I500-I504 VanDerWaalsContact O-CG1 3.28Å; I500-I504 WeakPolarHBondContact O-CG1 3.49Å; I500-I504 PolarHBondContact O-N 3.27Å; I500-V569 HydrophobicContact CD1-CG1 3.82Å; I500-V569 HydrophobicContact CD1-CG2 3.86Å; I500-L572 HydrophobicContact CG2-CD2 3.76Å |
| 501 | C | 96.4 | Very high | 91.6 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 5% | 0.047 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.8 | -41.8 | 179.9 | -69.5 | 0 | 0 | 0 | 0 | 111.9 | S497 A498 L505 V525 R529 | S497-C501 PolarHBondContact O-N 2.98Å; S497-C501 PolarHBondContact O-SG 2.82Å; A498-C501 PolarHBondContact O-N 3.39Å; C501-L505 WeakPolarHBondContact O-CB 3.28Å; C501-L505 PolarHBondContact O-N 2.78Å; C501-V525 HydrophobicContact CB-CG1 4.05Å; C501-R529 HydrophobicContact CB-CB 4.49Å |
| 502 | E | 93.7 | Very high | 90.2 | Very high | 79 Ų | 79 | 42.9 Ų | 42.9 | 37% | 0.369 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.8 | -47.5 | 179.7 | -165.3 | -173.7 | 143.2 | 0 | 0 | 112.5 | Y447 A498 Y499 I500 I504 L505 N506 | Y447-E502 WeakPolarHBondContact CE1-OE1 3.19Å; Y447-E502 PolarHBondContact OH-OE1 2.91Å; Y447-E502 PolarHBondContact OH-OE2 3.33Å; A498-E502 PolarHBondContact O-N 3.47Å; Y499-E502 PolarHBondContact O-N 3.44Å; I500-E502 VanDerWaalsContact C-N 3.28Å; I500-E502 PolarHBondContact O-N 3.29Å; E502-I504 VanDerWaalsContact C-N 3.35Å; E502-I504 PolarHBondContact O-N 3.31Å; E502-L505 PolarHBondContact O-N 2.91Å; E502-N506 WeakPolarHBondContact O-CB 3.24Å; E502-N506 VanDerWaalsContact O-CG 3.32Å; E502-N506 PolarHBondContact O-N 3.47Å; E502-N506 PolarHBondContact O-ND2 3.12Å |
| 503 | V | 93.7 | Very high | 88.7 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 179 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | F459 Y499 I500 K507 | F459-V503 HydrophobicContact CD1-CB 4.4Å; F459-V503 HydrophobicContact CD1-CG1 3.82Å; F459-V503 HydrophobicContact CE1-CB 3.67Å; F459-V503 HydrophobicContact CE1-CG1 3.61Å; F459-V503 HydrophobicContact CE1-CG2 4.22Å; F459-V503 HydrophobicContact CE2-CG1 4.48Å; F459-V503 HydrophobicContact CE2-CG2 4.36Å; F459-V503 HydrophobicContact CG-CG1 4.34Å; F459-V503 HydrophobicContact CZ-CB 3.81Å; F459-V503 HydrophobicContact CZ-CG1 3.96Å; F459-V503 HydrophobicContact CZ-CG2 3.81Å; Y499-V503 HydrophobicContact CD2-CG2 3.99Å; Y499-V503 HydrophobicContact CE1-CG2 4.16Å; Y499-V503 HydrophobicContact CE2-CG2 3.58Å; Y499-V503 HydrophobicContact CG-CG2 4.44Å; Y499-V503 WeakPolarHBondContact O-CG2 3.35Å; Y499-V503 PolarHBondContact O-N 3.11Å; I500-V503 PolarHBondContact O-N 3.02Å; V503-K507 HydrophobicContact CG1-CD 4.43Å; V503-K507 WeakPolarHBondContact O-CG 3.45Å; V503-K507 PolarHBondContact O-N 2.91Å; V503-K507 VanDerWaalsContact O-N 3.13Å |
| 504 | I | 94.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.1 | -41.4 | -179.2 | -60.2 | -55.5 | 0 | 0 | 0 | 111.3 | M456 F459 L460 I500 E502 N506 K507 M508 V521 V525 L572 | M456-I504 HydrophobicContact CG-CD1 3.75Å; M456-I504 HydrophobicContact SD-CD1 4.34Å; F459-I504 HydrophobicContact CD1-CD1 4.15Å; F459-I504 HydrophobicContact CE1-CD1 4.38Å; L460-I504 HydrophobicContact CD1-CD1 3.92Å; L460-I504 HydrophobicContact CD2-CD1 3.88Å; L460-I504 HydrophobicContact CD2-CG1 4Å; L460-I504 HydrophobicContact CG-CD1 3.89Å; I500-I504 HydrophobicContact CG2-CG1 4.29Å; I500-I504 WeakPolarHBondContact O-CB 3.41Å; I500-I504 VanDerWaalsContact O-CG1 3.28Å; I500-I504 WeakPolarHBondContact O-CG1 3.49Å; I500-I504 PolarHBondContact O-N 3.27Å; E502-I504 VanDerWaalsContact C-N 3.35Å; E502-I504 PolarHBondContact O-N 3.31Å; I504-N506 VanDerWaalsContact C-N 3.32Å; I504-N506 PolarHBondContact O-N 3.42Å; I504-K507 PolarHBondContact O-N 3.2Å; I504-K507 VanDerWaalsContact O-N 3.1Å; I504-M508 HydrophobicContact CG2-CG 4.12Å; I504-M508 WeakPolarHBondContact O-CG 3.48Å; I504-M508 PolarHBondContact O-N 3.49Å; I504-V521 HydrophobicContact CG2-CG1 3.67Å; I504-V525 HydrophobicContact CB-CG2 4.1Å; I504-V525 HydrophobicContact CG2-CG2 3.62Å; I504-L572 HydrophobicContact CG1-CD2 4.31Å; I504-L572 HydrophobicContact CG2-CD1 4.45Å |
| 505 | L | 91.7 | Very high | 86.4 | Confident | 48 Ų | 48 | 55.3 Ų | 55.3 | 25% | 0.251 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.2 | -47.6 | 175.1 | 178.2 | 65.5 | 0 | 0 | 0 | 111.2 | C501 E502 K507 M508 I509 M522 | C501-L505 WeakPolarHBondContact O-CB 3.28Å; C501-L505 PolarHBondContact O-N 2.78Å; E502-L505 PolarHBondContact O-N 2.91Å; L505-K507 VanDerWaalsContact C-N 3.28Å; L505-K507 PolarHBondContact O-N 3.3Å; L505-M508 PolarHBondContact O-N 3.02Å; L505-M508 VanDerWaalsContact O-N 3.15Å; L505-I509 HydrophobicContact CD1-CD1 3.83Å; L505-I509 HydrophobicContact CD1-CG1 4.07Å; L505-I509 HydrophobicContact CD2-CD1 4.42Å; L505-I509 HydrophobicContact CG-CD1 3.73Å; L505-I509 HydrophobicContact CG-CG1 4.36Å; L505-I509 WeakPolarHBondContact O-CG1 3.45Å; L505-I509 PolarHBondContact O-N 3.07Å; L505-M522 HydrophobicContact CD1-CE 3.4Å; L505-M522 HydrophobicContact CD1-SD 3.98Å |
| 506 | N | 88.6 | Confident | 85.9 | Confident | 78 Ų | 78 | 58.8 Ų | 58.8 | 42% | 0.417 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62 | -36.2 | 177.7 | -72 | -25 | 0 | 0 | 0 | 112.2 | E502 I504 | E502-N506 WeakPolarHBondContact O-CB 3.24Å; E502-N506 VanDerWaalsContact O-CG 3.32Å; E502-N506 PolarHBondContact O-N 3.47Å; E502-N506 PolarHBondContact O-ND2 3.12Å; I504-N506 VanDerWaalsContact C-N 3.32Å; I504-N506 PolarHBondContact O-N 3.42Å |
| 507 | K | 87.6 | Confident | 85.3 | Confident | 41 Ų | 41 | 59.1 Ų | 59.1 | 18% | 0.178 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -71.3 | -30.9 | 175.4 | -72 | -174.9 | -171.8 | -63.6 | 0 | 113.3 | N451 I454 M456 V503 I504 L505 | N451-K507 PolarHBondContact O-NZ 3.45Å; I454-K507 WeakPolarHBondContact O-CE 3.46Å; I454-K507 PolarHBondContact O-NZ 3.29Å; M456-K507 HydrophobicContact CB-CD 3.86Å; M456-K507 HydrophobicContact CG-CD 4.3Å; V503-K507 HydrophobicContact CG1-CD 4.43Å; V503-K507 WeakPolarHBondContact O-CG 3.45Å; V503-K507 PolarHBondContact O-N 2.91Å; V503-K507 VanDerWaalsContact O-N 3.13Å; I504-K507 PolarHBondContact O-N 3.2Å; I504-K507 VanDerWaalsContact O-N 3.1Å; L505-K507 VanDerWaalsContact C-N 3.28Å; L505-K507 PolarHBondContact O-N 3.3Å |
| 508 | M | 86.7 | Confident | 84.8 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.02 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -82.2 | -37.6 | 179.5 | -68.2 | -53 | 118.1 | 0 | 0 | 112.8 | M456 I504 L505 A510 R511 Y517 V518 V521 M522 | M456-M508 HydrophobicContact CE-CE 4.3Å; M456-M508 HydrophobicContact SD-CE 3.34Å; M456-M508 WeakPolarHBondContact SD-CE 3.32Å; I504-M508 HydrophobicContact CG2-CG 4.12Å; I504-M508 WeakPolarHBondContact O-CG 3.48Å; I504-M508 PolarHBondContact O-N 3.49Å; L505-M508 PolarHBondContact O-N 3.02Å; L505-M508 VanDerWaalsContact O-N 3.15Å; M508-A510 PolarHBondContact O-N 3.5Å; M508-R511 PolarHBondContact O-N 3.08Å; M508-Y517 HydrophobicContact CE-CE1 4.23Å; M508-Y517 HydrophobicContact SD-CE1 3.95Å; M508-V518 HydrophobicContact CB-CG1 4.29Å; M508-V518 HydrophobicContact SD-CG2 4.45Å; M508-V521 HydrophobicContact CE-CG1 4.34Å; M508-V521 HydrophobicContact CG-CG1 3.9Å; M508-V521 HydrophobicContact SD-CB 4.24Å; M508-V521 HydrophobicContact SD-CG1 3.97Å; M508-M522 HydrophobicContact CB-CG 4.38Å; M508-M522 HydrophobicContact CB-SD 3.94Å; M508-M522 HydrophobicContact CG-SD 4.17Å |
| 509 | I | 81.7 | Confident | 84.5 | Confident | 121 Ų | 121 | 62.7 Ų | 62.7 | 62% | 0.621 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.5 | -33.9 | 176.7 | -69.8 | 168.5 | 0 | 0 | 0 | 111.4 | L505 R511 | L505-I509 HydrophobicContact CD1-CD1 3.83Å; L505-I509 HydrophobicContact CD1-CG1 4.07Å; L505-I509 HydrophobicContact CD2-CD1 4.42Å; L505-I509 HydrophobicContact CG-CD1 3.73Å; L505-I509 HydrophobicContact CG-CG1 4.36Å; L505-I509 WeakPolarHBondContact O-CG1 3.45Å; L505-I509 PolarHBondContact O-N 3.07Å; I509-R511 PolarHBondContact O-N 3.27Å |
| 510 | A | 71.9 | Confident | 84.3 | Confident | 82 Ų | 82 | 65.8 Ų | 65.8 | 68% | 0.678 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -11.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | M508 | M508-A510 PolarHBondContact O-N 3.5Š|
| 511 | R | 74.1 | Confident | 84 | Confident | 83 Ų | 83 | 65.8 Ų | 65.8 | 31% | 0.313 | 34% | 0.344 | S | S | . | . | trans | -96.9 | 119 | -178.1 | -71.6 | 177.4 | 168.7 | -167.3 | -8.5 | 110.3 | M508 I509 V518 E579 | M508-R511 PolarHBondContact O-N 3.08Å; I509-R511 PolarHBondContact O-N 3.27Å; R511-V518 HydrophobicContact CB-CG2 4.28Å; R511-E579 IonicContact CZ-OE1 3.58Å; R511-E579 VanDerWaalsContact CZ-OE1 3.25Å; R511-E579 IonicContact CZ-OE2 2.7Å; R511-E579 IonicContact NH1-OE1 3.82Å; R511-E579 PolarHBondContact NH1-OE1 3.42Å; R511-E579 IonicContact NH1-OE2 2.69Å; R511-E579 PolarHBondContact NH1-OE2 3.12Å; R511-E579 IonicContact NH2-OE1 2.78Å; R511-E579 PolarHBondContact NH2-OE1 3.27Å; R511-E579 IonicContact NH2-OE2 3.72Å; R511-E579 PolarHBondContact NH2-OE2 3.27Å | ||
| 512 | T | 65.9 | Low | 83.9 | Confident | 127 Ų | 127 | 67.4 Ų | 67.4 | 78% | 0.779 | 35% | 0.352 | S | S | * | . | trans | -99.1 | -2.3 | 173 | 52.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 513 | E | 64 | Low | 84 | Confident | 161 Ų | 161 | 68.8 Ų | 68.8 | 75% | 0.752 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -105.3 | 145 | -176.4 | -60.7 | 178.7 | -173.3 | 0 | 0 | 110.1 | ||
| 514 | N | 69.8 | Low | 84.1 | Confident | 93 Ų | 93 | 71 Ų | 71 | 50% | 0.497 | 37% | 0.368 | S | S | . | . | trans | 60.2 | 65 | 173.8 | -159.4 | 7.1 | 0 | 0 | 0 | 115.5 | E516 Y517 V518 | N514-E516 PolarHBondContact O-N 3.44Å; N514-E516 VanDerWaalsContact O-N 3.14Å; N514-Y517 PolarHBondContact O-N 3.04Å; N514-Y517 VanDerWaalsContact O-N 3.13Å; N514-V518 PolarHBondContact O-N 3.07Å | ||
| 515 | N | 76.1 | Confident | 84.3 | Confident | 112 Ų | 112 | 71 Ų | 71 | 60% | 0.599 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -53.3 | -35.7 | -177.2 | -66.4 | -8.9 | 0 | 0 | 0 | 113.9 | V518 D519 | N515-V518 PolarHBondContact O-N 3.32Å; N515-D519 WeakPolarHBondContact O-CB 3.39Å; N515-D519 PolarHBondContact O-N 3.23Å |
| 516 | E | 84.5 | Confident | 84.5 | Confident | 135 Ų | 135 | 71.4 Ų | 71.4 | 63% | 0.631 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65 | -44.2 | 179.9 | -174 | -179.8 | 175.3 | 0 | 0 | 112.2 | N514 V518 D519 Q520 | N514-E516 PolarHBondContact O-N 3.44Å; N514-E516 VanDerWaalsContact O-N 3.14Å; E516-V518 VanDerWaalsContact C-N 3.35Å; E516-D519 PolarHBondContact O-N 3.26Å; E516-Q520 VanDerWaalsContact O-CG 3.31Å; E516-Q520 WeakPolarHBondContact O-CG 3.33Å; E516-Q520 PolarHBondContact O-N 3.5Å; E516-Q520 PolarHBondContact OE1-NE2 3.41Å |
| 517 | Y | 84.2 | Confident | 85 | Confident | 9 Ų | 9 | 69.9 Ų | 69.9 | 4% | 0.035 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 175 | 168.6 | -92.9 | 0 | 0 | 0 | 111.3 | M456 M508 N514 D519 Q520 V521 T575 A576 E579 | M456-Y517 WeakPolarHBondContact CE-OH 3.12Å; M508-Y517 HydrophobicContact CE-CE1 4.23Å; M508-Y517 HydrophobicContact SD-CE1 3.95Å; N514-Y517 PolarHBondContact O-N 3.04Å; N514-Y517 VanDerWaalsContact O-N 3.13Å; Y517-D519 VanDerWaalsContact C-N 3.3Å; Y517-D519 PolarHBondContact O-N 3.46Å; Y517-Q520 PolarHBondContact O-N 3.01Å; Y517-V521 HydrophobicContact CD1-CG2 4.37Å; Y517-V521 HydrophobicContact CD2-CG2 4.24Å; Y517-V521 HydrophobicContact CE1-CG2 3.76Å; Y517-V521 HydrophobicContact CE2-CG2 3.67Å; Y517-V521 VanDerWaalsContact CZ-CG2 3.44Å; Y517-V521 WeakPolarHBondContact O-CG2 3.37Å; Y517-V521 PolarHBondContact O-N 3.2Å; Y517-T575 WeakPolarHBondContact CE2-O 3.07Å; Y517-A576 VanDerWaalsContact OH-CA 3.32Å; Y517-A576 WeakPolarHBondContact OH-CA 3.13Å; Y517-A576 PolarHBondContact OH-O 3.25Å; Y517-E579 HydrophobicContact CD1-CG 3.96Å; Y517-E579 HydrophobicContact CD2-CB 3.69Å; Y517-E579 HydrophobicContact CD2-CG 3.8Å; Y517-E579 HydrophobicContact CE1-CB 4.29Å; Y517-E579 HydrophobicContact CE1-CG 3.93Å; Y517-E579 HydrophobicContact CE2-CB 3.26Å; Y517-E579 HydrophobicContact CE2-CG 3.72Å; Y517-E579 HydrophobicContact CG-CB 4.31Å; Y517-E579 HydrophobicContact CG-CG 3.89Å; Y517-E579 PolarHBondContact OH-OE2 3.47Å |
| 518 | V | 87.3 | Confident | 85.5 | Confident | 20 Ų | 20 | 68 Ų | 68 | 12% | 0.121 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 177.8 | 175.6 | 0 | 0 | 0 | 0 | 109.9 | M508 R511 N514 N515 E516 Q520 V521 M522 | M508-V518 HydrophobicContact CB-CG1 4.29Å; M508-V518 HydrophobicContact SD-CG2 4.45Å; R511-V518 HydrophobicContact CB-CG2 4.28Å; N514-V518 PolarHBondContact O-N 3.07Å; N515-V518 PolarHBondContact O-N 3.32Å; E516-V518 VanDerWaalsContact C-N 3.35Å; V518-Q520 PolarHBondContact O-N 2.79Å; V518-V521 PolarHBondContact O-N 3.15Å; V518-M522 HydrophobicContact CG1-CG 4.1Å; V518-M522 WeakPolarHBondContact O-CB 3.21Å; V518-M522 WeakPolarHBondContact O-CG 3.09Å; V518-M522 PolarHBondContact O-N 3.03Å |
| 519 | D | 89.2 | Confident | 86 | Confident | 109 Ų | 109 | 72.9 Ų | 72.9 | 58% | 0.583 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.4 | -44.3 | 178 | -70.8 | -24.5 | 0 | 0 | 0 | 111.9 | N515 E516 Y517 M522 E523 | N515-D519 WeakPolarHBondContact O-CB 3.39Å; N515-D519 PolarHBondContact O-N 3.23Å; E516-D519 PolarHBondContact O-N 3.26Å; Y517-D519 VanDerWaalsContact C-N 3.3Å; Y517-D519 PolarHBondContact O-N 3.46Å; D519-M522 PolarHBondContact O-N 3.41Å; D519-E523 WeakPolarHBondContact O-CB 3.25Å; D519-E523 PolarHBondContact O-N 2.77Å |
| 520 | Q | 90.7 | Very high | 86.8 | Confident | 71 Ų | 71 | 71.5 Ų | 71.5 | 33% | 0.332 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 177.5 | -72 | 176.4 | 17.5 | 0 | 0 | 112.1 | E516 Y517 V518 M522 E523 K524 T575 | E516-Q520 VanDerWaalsContact O-CG 3.31Å; E516-Q520 WeakPolarHBondContact O-CG 3.33Å; E516-Q520 PolarHBondContact O-N 3.5Å; E516-Q520 PolarHBondContact OE1-NE2 3.41Å; Y517-Q520 PolarHBondContact O-N 3.01Å; V518-Q520 PolarHBondContact O-N 2.79Å; Q520-M522 VanDerWaalsContact C-N 3.34Å; Q520-E523 WeakPolarHBondContact O-CB 3.28Å; Q520-E523 PolarHBondContact O-N 2.94Å; Q520-K524 PolarHBondContact O-N 3.29Å; Q520-T575 HydrophobicContact CB-CG2 3.83Å |
| 521 | V | 92.2 | Very high | 88 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 176.3 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | I504 M508 Y517 V518 E523 K524 V525 L572 T575 | I504-V521 HydrophobicContact CG2-CG1 3.67Å; M508-V521 HydrophobicContact CE-CG1 4.34Å; M508-V521 HydrophobicContact CG-CG1 3.9Å; M508-V521 HydrophobicContact SD-CB 4.24Å; M508-V521 HydrophobicContact SD-CG1 3.97Å; Y517-V521 HydrophobicContact CD1-CG2 4.37Å; Y517-V521 HydrophobicContact CD2-CG2 4.24Å; Y517-V521 HydrophobicContact CE1-CG2 3.76Å; Y517-V521 HydrophobicContact CE2-CG2 3.67Å; Y517-V521 VanDerWaalsContact CZ-CG2 3.44Å; Y517-V521 WeakPolarHBondContact O-CG2 3.37Å; Y517-V521 PolarHBondContact O-N 3.2Å; V518-V521 PolarHBondContact O-N 3.15Å; V521-E523 VanDerWaalsContact C-N 3.34Å; V521-E523 PolarHBondContact O-N 3.47Å; V521-K524 PolarHBondContact O-N 3.22Å; V521-K524 VanDerWaalsContact O-N 3.17Å; V521-V525 HydrophobicContact CG1-CG2 4.37Å; V521-V525 WeakPolarHBondContact O-CG2 3.49Å; V521-V525 PolarHBondContact O-N 3.03Å; V521-L572 HydrophobicContact CG1-CD1 3.81Å; V521-T575 HydrophobicContact CG2-CG2 4.05Å |
| 522 | M | 93.6 | Very high | 89.2 | Confident | 41 Ų | 41 | 71 Ų | 71 | 20% | 0.202 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67 | -32.2 | -179.4 | -76 | -55.1 | -62.9 | 0 | 0 | 113.1 | L505 M508 V518 D519 Q520 V525 T526 | L505-M522 HydrophobicContact CD1-CE 3.4Å; L505-M522 HydrophobicContact CD1-SD 3.98Å; M508-M522 HydrophobicContact CB-CG 4.38Å; M508-M522 HydrophobicContact CB-SD 3.94Å; M508-M522 HydrophobicContact CG-SD 4.17Å; V518-M522 HydrophobicContact CG1-CG 4.1Å; V518-M522 WeakPolarHBondContact O-CB 3.21Å; V518-M522 WeakPolarHBondContact O-CG 3.09Å; V518-M522 PolarHBondContact O-N 3.03Å; D519-M522 PolarHBondContact O-N 3.41Å; Q520-M522 VanDerWaalsContact C-N 3.34Å; M522-V525 PolarHBondContact O-N 3.22Å; M522-T526 VanDerWaalsContact O-CB 3.31Å; M522-T526 WeakPolarHBondContact O-CB 3.13Å; M522-T526 PolarHBondContact O-N 2.87Å; M522-T526 PolarHBondContact O-OG1 3.45Å |
| 523 | E | 95.3 | Very high | 90.7 | Very high | 109 Ų | 109 | 65.6 Ų | 65.6 | 51% | 0.509 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.9 | -49 | 169.9 | -172.4 | -156.4 | 123.1 | 0 | 0 | 110.4 | D519 Q520 V521 T526 L527 | D519-E523 WeakPolarHBondContact O-CB 3.25Å; D519-E523 PolarHBondContact O-N 2.77Å; Q520-E523 WeakPolarHBondContact O-CB 3.28Å; Q520-E523 PolarHBondContact O-N 2.94Å; V521-E523 VanDerWaalsContact C-N 3.34Å; V521-E523 PolarHBondContact O-N 3.47Å; E523-T526 PolarHBondContact O-N 3.3Å; E523-L527 PolarHBondContact O-N 3.07Å |
| 524 | K | 96.8 | Very high | 92.4 | Very high | 48 Ų | 48 | 60.2 Ų | 60.2 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 179 | -56.4 | -47 | 174.1 | -158.9 | 0 | 112.3 | Q520 V521 T526 L527 I528 L572 T575 | Q520-K524 PolarHBondContact O-N 3.29Å; V521-K524 PolarHBondContact O-N 3.22Å; V521-K524 VanDerWaalsContact O-N 3.17Å; K524-T526 VanDerWaalsContact C-N 3.3Å; K524-T526 PolarHBondContact O-N 3.14Å; K524-L527 PolarHBondContact O-N 3.41Å; K524-I528 WeakPolarHBondContact O-CG1 3.35Å; K524-I528 PolarHBondContact O-N 3.04Å; K524-L572 HydrophobicContact CB-CB 4.05Å; K524-L572 HydrophobicContact CB-CD1 3.95Å; K524-T575 HydrophobicContact CG-CG2 4.27Å |
| 525 | V | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 174.6 | 171.7 | 0 | 0 | 0 | 0 | 111 | C501 I504 V521 M522 I528 R529 L572 | C501-V525 HydrophobicContact CB-CG1 4.05Å; I504-V525 HydrophobicContact CB-CG2 4.1Å; I504-V525 HydrophobicContact CG2-CG2 3.62Å; V521-V525 HydrophobicContact CG1-CG2 4.37Å; V521-V525 WeakPolarHBondContact O-CG2 3.49Å; V521-V525 PolarHBondContact O-N 3.03Å; M522-V525 PolarHBondContact O-N 3.22Å; V525-I528 PolarHBondContact O-N 2.82Å; V525-R529 VanDerWaalsContact O-CB 3.26Å; V525-R529 WeakPolarHBondContact O-CB 3.14Å; V525-R529 PolarHBondContact O-N 3.42Å; V525-L572 HydrophobicContact CG2-CD1 3.82Å; V525-L572 HydrophobicContact CG2-CD2 4.1Å |
| 526 | T | 97.4 | Very high | 94.8 | Very high | 55 Ų | 55 | 54 Ų | 54 | 34% | 0.337 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | 179.1 | -58.9 | 0 | 0 | 0 | 0 | 111 | M522 E523 K524 I528 R529 D530 | M522-T526 VanDerWaalsContact O-CB 3.31Å; M522-T526 WeakPolarHBondContact O-CB 3.13Å; M522-T526 PolarHBondContact O-N 2.87Å; M522-T526 PolarHBondContact O-OG1 3.45Å; E523-T526 PolarHBondContact O-N 3.3Å; K524-T526 VanDerWaalsContact C-N 3.3Å; K524-T526 PolarHBondContact O-N 3.14Å; T526-I528 PolarHBondContact O-N 2.81Å; T526-R529 PolarHBondContact O-N 3.17Å; T526-D530 WeakPolarHBondContact CG2-OD2 3.26Å; T526-D530 WeakPolarHBondContact O-CB 3.32Å; T526-D530 PolarHBondContact O-N 3.25Å |
| 527 | L | 98 | Very high | 95.5 | Very high | 47 Ų | 47 | 48.6 Ų | 48.6 | 25% | 0.246 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.1 | -44.5 | 177.6 | -171.8 | 65 | 0 | 0 | 0 | 112.4 | E523 K524 Q531 Y532 | E523-L527 PolarHBondContact O-N 3.07Å; K524-L527 PolarHBondContact O-N 3.41Å; L527-Q531 HydrophobicContact CD1-CB 4.22Å; L527-Q531 WeakPolarHBondContact O-CB 3.17Å; L527-Q531 PolarHBondContact O-N 3.44Å; L527-Q531 VanDerWaalsContact O-N 3.11Å; L527-Y532 HydrophobicContact CD1-CE1 4.31Å; L527-Y532 HydrophobicContact CD2-CD2 4.49Å; L527-Y532 HydrophobicContact CD2-CE2 3.55Å; L527-Y532 WeakPolarHBondContact CD2-OH 3.34Å; L527-Y532 HydrophobicContact CG-CD2 4.08Å; L527-Y532 HydrophobicContact CG-CE1 4.2Å; L527-Y532 HydrophobicContact CG-CE2 3.57Å; L527-Y532 PolarHBondContact O-N 2.66Å |
| 528 | I | 98.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -64.2 | -45.9 | 176.4 | -64.5 | 164.5 | 0 | 0 | 0 | 111 | K524 V525 T526 Y532 T533 L565 G568 V569 L572 | K524-I528 WeakPolarHBondContact O-CG1 3.35Å; K524-I528 PolarHBondContact O-N 3.04Å; V525-I528 PolarHBondContact O-N 2.82Å; T526-I528 PolarHBondContact O-N 2.81Å; I528-Y532 HydrophobicContact CG1-CD2 4.34Å; I528-T533 WeakPolarHBondContact O-CB 3.18Å; I528-T533 PolarHBondContact O-N 3.2Å; I528-T533 PolarHBondContact O-OG1 3.47Å; I528-L565 HydrophobicContact CG2-CD1 4.06Å; I528-G568 WeakPolarHBondContact CD1-O 3.41Å; I528-V569 HydrophobicContact CD1-CG2 4.18Å; I528-L572 HydrophobicContact CD1-CB 3.85Å; I528-L572 HydrophobicContact CD1-CD2 3.72Å; I528-L572 HydrophobicContact CD1-CG 4.41Å |
| 529 | R | 97.9 | Very high | 96.6 | Very high | 107 Ų | 107 | 53.3 Ų | 53.3 | 40% | 0.404 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -70.7 | -46.4 | -174.2 | -172.4 | -171.5 | 68.4 | -153.9 | -8.7 | 112.5 | C501 V525 T526 P534 | C501-R529 HydrophobicContact CB-CB 4.49Å; V525-R529 VanDerWaalsContact O-CB 3.26Å; V525-R529 WeakPolarHBondContact O-CB 3.14Å; V525-R529 PolarHBondContact O-N 3.42Å; T526-R529 PolarHBondContact O-N 3.17Å; R529-P534 WeakPolarHBondContact O-CD 3.44Å |
| 530 | D | 97.9 | Very high | 97 | Very high | 92 Ų | 92 | 48.3 Ų | 48.3 | 49% | 0.492 | 24% | 0.24 | S | C | . | . | I | π-helix | trans | -99.3 | -19.3 | -166.3 | -62 | -15.5 | 0 | 0 | 0 | 112.8 | T526 | T526-D530 WeakPolarHBondContact CG2-OD2 3.26Å; T526-D530 WeakPolarHBondContact O-CB 3.32Å; T526-D530 PolarHBondContact O-N 3.25Å |
| 531 | Q | 97.9 | Very high | 97.3 | Very high | 97 Ų | 97 | 51.7 Ų | 51.7 | 45% | 0.453 | 25% | 0.25 | S | S | . | . | I | π-helix | trans | -119.1 | -66.9 | 179.8 | -171.5 | 175.3 | 1.8 | 0 | 0 | 112.6 | L527 T533 P534 D535 | L527-Q531 HydrophobicContact CD1-CB 4.22Å; L527-Q531 WeakPolarHBondContact O-CB 3.17Å; L527-Q531 PolarHBondContact O-N 3.44Å; L527-Q531 VanDerWaalsContact O-N 3.11Å; Q531-T533 PolarHBondContact O-N 3.02Å; Q531-P534 WeakPolarHBondContact O-CD 3.18Å; Q531-D535 WeakPolarHBondContact O-CB 3.31Å; Q531-D535 PolarHBondContact O-N 3.26Å |
| 532 | Y | 98.5 | Very high | 97.6 | Very high | 56 Ų | 56 | 55.5 Ų | 55.5 | 22% | 0.22 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -66 | -40.2 | -168.9 | -61.2 | -27.7 | 0 | 0 | 0 | 113.8 | L527 I528 F536 | L527-Y532 HydrophobicContact CD1-CE1 4.31Å; L527-Y532 HydrophobicContact CD2-CD2 4.49Å; L527-Y532 HydrophobicContact CD2-CE2 3.55Å; L527-Y532 WeakPolarHBondContact CD2-OH 3.34Å; L527-Y532 HydrophobicContact CG-CD2 4.08Å; L527-Y532 HydrophobicContact CG-CE1 4.2Å; L527-Y532 HydrophobicContact CG-CE2 3.57Å; L527-Y532 PolarHBondContact O-N 2.66Å; I528-Y532 HydrophobicContact CG1-CD2 4.34Å; Y532-F536 WeakPolarHBondContact O-CB 3.46Å; Y532-F536 PolarHBondContact O-N 2.97Å; Y532-F536 VanDerWaalsContact O-N 3.11Å |
| 533 | T | 98.2 | Very high | 97.8 | Very high | 14 Ų | 14 | 53.7 Ų | 53.7 | 9% | 0.086 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.3 | -52.8 | 177.9 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | Q494 S497 I528 Q531 D535 F536 V537 L565 | Q494-T533 HydrophobicContact CG-CG2 4.13Å; S497-T533 VanDerWaalsContact CB-OG1 3.29Å; S497-T533 WeakPolarHBondContact CB-OG1 3.44Å; S497-T533 WeakPolarHBondContact OG-CG2 3.33Å; S497-T533 PolarHBondContact OG-OG1 2.9Å; I528-T533 WeakPolarHBondContact O-CB 3.18Å; I528-T533 PolarHBondContact O-N 3.2Å; I528-T533 PolarHBondContact O-OG1 3.47Å; Q531-T533 PolarHBondContact O-N 3.02Å; T533-D535 VanDerWaalsContact C-N 3.35Å; T533-D535 PolarHBondContact O-N 3.08Å; T533-F536 PolarHBondContact O-N 3.36Å; T533-V537 HydrophobicContact CG2-CG2 4.24Å; T533-V537 WeakPolarHBondContact O-CB 3.26Å; T533-V537 WeakPolarHBondContact O-CG2 3.42Å; T533-V537 PolarHBondContact O-N 3.45Å; T533-L565 WeakPolarHBondContact OG1-CD1 3.49Å |
| 534 | P | 98.4 | Very high | 97.8 | Very high | 48 Ų | 48 | 49.6 Ų | 49.6 | 31% | 0.312 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.4 | -41.8 | 175.8 | -28.8 | 36.8 | 0 | 0 | 0 | 114.3 | R529 Q531 V537 N538 | R529-P534 WeakPolarHBondContact O-CD 3.44Å; Q531-P534 WeakPolarHBondContact O-CD 3.18Å; P534-V537 PolarHBondContact O-N 3.33Å; P534-N538 WeakPolarHBondContact O-CB 3.44Å; P534-N538 VanDerWaalsContact O-CG 3.26Å; P534-N538 PolarHBondContact O-N 3.13Å; P534-N538 PolarHBondContact O-ND2 2.9Å |
| 535 | D | 98.4 | Very high | 97.8 | Very high | 75 Ų | 75 | 51 Ų | 51 | 40% | 0.401 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.2 | -50.1 | 179 | -75.5 | -15.2 | 0 | 0 | 0 | 111.1 | Q531 T533 V537 N538 I539 | Q531-D535 WeakPolarHBondContact O-CB 3.31Å; Q531-D535 PolarHBondContact O-N 3.26Å; T533-D535 VanDerWaalsContact C-N 3.35Å; T533-D535 PolarHBondContact O-N 3.08Å; D535-V537 PolarHBondContact O-N 3Å; D535-N538 PolarHBondContact O-N 2.92Å; D535-I539 WeakPolarHBondContact O-CG1 3.27Å; D535-I539 PolarHBondContact O-N 3.37Å |
| 536 | F | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 176.9 | 176.8 | -110.3 | 0 | 0 | 0 | 112 | M493 Y532 T533 N538 I539 A540 Y558 L565 | M493-F536 HydrophobicContact CB-CE1 3.87Å; M493-F536 HydrophobicContact CB-CZ 4.49Å; M493-F536 HydrophobicContact CE-CE1 4.13Å; M493-F536 HydrophobicContact CE-CE2 4.33Å; M493-F536 HydrophobicContact CE-CZ 3.91Å; M493-F536 HydrophobicContact SD-CE1 4.09Å; M493-F536 HydrophobicContact SD-CZ 3.75Å; Y532-F536 WeakPolarHBondContact O-CB 3.46Å; Y532-F536 PolarHBondContact O-N 2.97Å; Y532-F536 VanDerWaalsContact O-N 3.11Å; T533-F536 PolarHBondContact O-N 3.36Å; F536-N538 VanDerWaalsContact C-N 3.33Å; F536-N538 PolarHBondContact O-N 3.46Å; F536-I539 PolarHBondContact O-N 3.43Å; F536-A540 VanDerWaalsContact O-CB 3.27Å; F536-A540 WeakPolarHBondContact O-CB 3.45Å; F536-A540 PolarHBondContact O-N 3.01Å; F536-Y558 HydrophobicContact CE2-CE1 4.26Å; F536-Y558 HydrophobicContact CE2-CE2 4.07Å; F536-Y558 AromaticContact CE2-CZ 3.89Å; F536-Y558 HydrophobicContact CZ-CE2 4.36Å; F536-L565 HydrophobicContact CB-CD2 4.11Å; F536-L565 HydrophobicContact CD1-CD2 3.8Å; F536-L565 HydrophobicContact CG-CD2 4.07Å |
| 537 | V | 98 | Very high | 97.5 | Very high | 21 Ų | 21 | 53.5 Ų | 53.5 | 13% | 0.127 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 179.8 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | Q494 T533 P534 D535 R541 | Q494-V537 HydrophobicContact CB-CG2 3.83Å; Q494-V537 HydrophobicContact CG-CG2 3.48Å; Q494-V537 VanDerWaalsContact CG-CG2 3.48Å; T533-V537 HydrophobicContact CG2-CG2 4.24Å; T533-V537 WeakPolarHBondContact O-CB 3.26Å; T533-V537 WeakPolarHBondContact O-CG2 3.42Å; T533-V537 PolarHBondContact O-N 3.45Å; P534-V537 PolarHBondContact O-N 3.33Å; D535-V537 PolarHBondContact O-N 3Å; V537-R541 WeakPolarHBondContact O-CB 3.06Å; V537-R541 PolarHBondContact O-N 3.33Å |
| 538 | N | 98.2 | Very high | 97.3 | Very high | 81 Ų | 81 | 54.3 Ų | 54.3 | 43% | 0.433 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 177.9 | -74.4 | -30.4 | 0 | 0 | 0 | 111.9 | P534 D535 F536 R541 N542 | P534-N538 WeakPolarHBondContact O-CB 3.44Å; P534-N538 VanDerWaalsContact O-CG 3.26Å; P534-N538 PolarHBondContact O-N 3.13Å; P534-N538 PolarHBondContact O-ND2 2.9Å; D535-N538 PolarHBondContact O-N 2.92Å; F536-N538 VanDerWaalsContact C-N 3.33Å; F536-N538 PolarHBondContact O-N 3.46Å; N538-R541 PolarHBondContact OD1-NH1 3.45Å; N538-R541 PolarHBondContact OD1-NH2 3.28Å; N538-N542 PolarHBondContact O-N 2.9Å |
| 539 | I | 98.1 | Very high | 97.1 | Very high | 47 Ų | 47 | 57.1 Ų | 57.1 | 24% | 0.241 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.4 | -44.4 | 177.1 | -69.6 | 164.6 | 0 | 0 | 0 | 110.7 | D535 F536 R541 N542 T543 A557 Y558 S561 | D535-I539 WeakPolarHBondContact O-CG1 3.27Å; D535-I539 PolarHBondContact O-N 3.37Å; F536-I539 PolarHBondContact O-N 3.43Å; I539-R541 VanDerWaalsContact C-N 3.34Å; I539-R541 PolarHBondContact O-N 2.95Å; I539-N542 PolarHBondContact O-N 3.33Å; I539-T543 WeakPolarHBondContact O-CB 3.31Å; I539-T543 PolarHBondContact O-N 3.29Å; I539-T543 PolarHBondContact O-OG1 2.99Å; I539-A557 HydrophobicContact CG2-CB 4.34Å; I539-Y558 HydrophobicContact CG2-CD2 4.29Å; I539-S561 VanDerWaalsContact CD1-CB 3.44Å; I539-S561 WeakPolarHBondContact CD1-OG 3.25Å |
| 540 | A | 97.7 | Very high | 96.7 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.033 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F536 N542 T543 L544 Y558 | F536-A540 VanDerWaalsContact O-CB 3.27Å; F536-A540 WeakPolarHBondContact O-CB 3.45Å; F536-A540 PolarHBondContact O-N 3.01Å; A540-N542 PolarHBondContact O-N 3.23Å; A540-T543 PolarHBondContact O-N 3.32Å; A540-L544 WeakPolarHBondContact O-CB 3.33Å; A540-L544 VanDerWaalsContact O-CG 3.32Å; A540-L544 WeakPolarHBondContact O-CG 3.47Å; A540-L544 PolarHBondContact O-N 3.18Å; A540-Y558 HydrophobicContact CB-CD2 4.49Å; A540-Y558 HydrophobicContact CB-CE2 3.85Å |
| 541 | R | 97.3 | Very high | 96.5 | Very high | 143 Ų | 143 | 56.8 Ų | 56.8 | 54% | 0.54 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 175.3 | -164.2 | -170.4 | -48 | 110 | 2.3 | 112.1 | V537 N538 I539 S545 | V537-R541 WeakPolarHBondContact O-CB 3.06Å; V537-R541 PolarHBondContact O-N 3.33Å; N538-R541 PolarHBondContact OD1-NH1 3.45Å; N538-R541 PolarHBondContact OD1-NH2 3.28Å; I539-R541 VanDerWaalsContact C-N 3.34Å; I539-R541 PolarHBondContact O-N 2.95Å; R541-S545 WeakPolarHBondContact O-CB 3.43Å; R541-S545 PolarHBondContact O-N 3.17Å |
| 542 | N | 97.1 | Very high | 96.2 | Very high | 79 Ų | 79 | 57 Ų | 57 | 42% | 0.422 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 176.3 | -169.2 | -97.7 | 0 | 0 | 0 | 111.6 | N538 I539 A540 S545 R546 | N538-N542 PolarHBondContact O-N 2.9Å; I539-N542 PolarHBondContact O-N 3.33Å; A540-N542 PolarHBondContact O-N 3.23Å; N542-S545 PolarHBondContact O-N 2.73Å; N542-R546 WeakPolarHBondContact O-CG 3.45Å; N542-R546 PolarHBondContact O-N 2.83Å; N542-R546 PolarHBondContact OD1-NE 2.85Å |
| 543 | T | 97.3 | Very high | 95.9 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.3 | -47.6 | 176.1 | -71.1 | 0 | 0 | 0 | 0 | 111.7 | L478 I539 A540 R546 L547 I553 Y558 | L478-T543 HydrophobicContact CD1-CG2 3.63Å; I539-T543 WeakPolarHBondContact O-CB 3.31Å; I539-T543 PolarHBondContact O-N 3.29Å; I539-T543 PolarHBondContact O-OG1 2.99Å; A540-T543 PolarHBondContact O-N 3.32Å; T543-R546 PolarHBondContact O-N 3.32Å; T543-L547 HydrophobicContact CG2-CD1 3.89Å; T543-L547 WeakPolarHBondContact O-CB 3.44Å; T543-L547 WeakPolarHBondContact O-CG 3.4Å; T543-L547 PolarHBondContact O-N 3.39Å; T543-I553 HydrophobicContact CG2-CG2 3.66Å; T543-Y558 HydrophobicContact CG2-CD2 4.03Å; T543-Y558 HydrophobicContact CG2-CE2 4.42Å |
| 544 | L | 96.6 | Very high | 95.7 | Very high | 23 Ų | 23 | 59 Ų | 59 | 12% | 0.12 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 177.3 | -72.6 | 168.3 | 0 | 0 | 0 | 111.9 | E483 V486 Q487 A540 R546 L547 A548 | E483-L544 HydrophobicContact CG-CD2 3.94Å; E483-L544 WeakPolarHBondContact O-CD2 3.25Å; V486-L544 HydrophobicContact CB-CD2 4.06Å; V486-L544 HydrophobicContact CG1-CD2 3.8Å; V486-L544 HydrophobicContact CG1-CG 4.31Å; Q487-L544 HydrophobicContact CB-CD1 3.98Å; Q487-L544 HydrophobicContact CB-CD2 3.87Å; Q487-L544 HydrophobicContact CG-CD1 4.05Å; A540-L544 WeakPolarHBondContact O-CB 3.33Å; A540-L544 VanDerWaalsContact O-CG 3.32Å; A540-L544 WeakPolarHBondContact O-CG 3.47Å; A540-L544 PolarHBondContact O-N 3.18Å; L544-R546 VanDerWaalsContact C-N 3.27Å; L544-R546 PolarHBondContact O-N 3.24Å; L544-L547 PolarHBondContact O-N 3.43Å; L544-A548 WeakPolarHBondContact O-CB 3.39Å; L544-A548 PolarHBondContact O-N 2.98Å |
| 545 | S | 95.9 | Very high | 95.5 | Very high | 78 Ų | 78 | 60.1 Ų | 60.1 | 55% | 0.545 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60 | -37.5 | 176.4 | -178.8 | 0 | 0 | 0 | 0 | 112.5 | R541 N542 A549 | R541-S545 WeakPolarHBondContact O-CB 3.43Å; R541-S545 PolarHBondContact O-N 3.17Å; N542-S545 PolarHBondContact O-N 2.73Å; S545-A549 WeakPolarHBondContact O-CB 3.22Å; S545-A549 PolarHBondContact O-N 3.45Å |
| 546 | R | 95.9 | Very high | 95.3 | Very high | 85 Ų | 85 | 61.2 Ų | 61.2 | 32% | 0.321 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -75.4 | -38.6 | 177.7 | -70.9 | -175.9 | -176.3 | -164 | 8.1 | 112.5 | N542 T543 L544 A549 G550 Q551 S552 I553 | N542-R546 WeakPolarHBondContact O-CG 3.45Å; N542-R546 PolarHBondContact O-N 2.83Å; N542-R546 PolarHBondContact OD1-NE 2.85Å; T543-R546 PolarHBondContact O-N 3.32Å; L544-R546 VanDerWaalsContact C-N 3.27Å; L544-R546 PolarHBondContact O-N 3.24Å; R546-A549 CarbonylContact O-C 3.53Å; R546-A549 PolarHBondContact O-N 3.49Å; R546-G550 PolarHBondContact O-N 3.32Å; R546-Q551 HydrophobicContact CB-CB 4.11Å; R546-Q551 HydrophobicContact CG-CB 4.36Å; R546-Q551 PolarHBondContact O-N 3.02Å; R546-S552 WeakPolarHBondContact CD-O 3.45Å; R546-S552 PolarHBondContact NH1-O 2.99Å; R546-S552 VanDerWaalsContact NH1-O 3.11Å; R546-I553 HydrophobicContact CB-CG1 4.13Å |
| 547 | L | 93.8 | Very high | 95.2 | Very high | 22 Ų | 22 | 62.3 Ų | 62.3 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.7 | -52.1 | 172.1 | -84.9 | 165 | 0 | 0 | 0 | 110.6 | L478 K481 E483 V486 T543 L544 A549 G550 I553 | L478-L547 HydrophobicContact CD1-CD1 4.2Å; K481-L547 HydrophobicContact CB-CD2 4.08Å; K481-L547 HydrophobicContact CG-CD2 4.45Å; E483-L547 HydrophobicContact CG-CB 4.37Å; V486-L547 HydrophobicContact CB-CD1 4.5Å; V486-L547 HydrophobicContact CG1-CD1 4.43Å; V486-L547 HydrophobicContact CG2-CD1 4.36Å; T543-L547 HydrophobicContact CG2-CD1 3.89Å; T543-L547 WeakPolarHBondContact O-CB 3.44Å; T543-L547 WeakPolarHBondContact O-CG 3.4Å; T543-L547 PolarHBondContact O-N 3.39Å; L544-L547 PolarHBondContact O-N 3.43Å; L547-A549 PolarHBondContact O-N 2.95Å; L547-G550 PolarHBondContact O-N 2.82Å; L547-I553 HydrophobicContact CD1-CD1 4.36Å; L547-I553 HydrophobicContact CD2-CD1 3.25Å; L547-I553 HydrophobicContact CD2-CG1 4.42Å; L547-I553 HydrophobicContact CG-CD1 3.41Å; L547-I553 VanDerWaalsContact CG-CD1 3.41Å; L547-I553 HydrophobicContact CG-CG1 4.12Å |
| 548 | A | 93.3 | Very high | 95.2 | Very high | 65 Ų | 65 | 61.3 Ų | 61.3 | 54% | 0.537 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.8 | -34.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E483 L544 G550 | E483-A548 WeakPolarHBondContact OE2-CA 3.41Å; L544-A548 WeakPolarHBondContact O-CB 3.39Å; L544-A548 PolarHBondContact O-N 2.98Å; A548-G550 VanDerWaalsContact C-N 3.34Å |
| 549 | A | 93.9 | Very high | 95.2 | Very high | 60 Ų | 60 | 60.4 Ų | 60.4 | 50% | 0.496 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -1.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S545 R546 L547 Q551 | S545-A549 WeakPolarHBondContact O-CB 3.22Å; S545-A549 PolarHBondContact O-N 3.45Å; R546-A549 CarbonylContact O-C 3.53Å; R546-A549 PolarHBondContact O-N 3.49Å; L547-A549 PolarHBondContact O-N 2.95Å; A549-Q551 HydrophobicContact CB-CG 3.85Å; A549-Q551 PolarHBondContact O-N 3.29Å |
| 550 | G | 90.7 | Very high | 95.1 | Very high | 73 Ų | 73 | 64.6 Ų | 64.6 | 75% | 0.753 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 23.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R546 L547 A548 | R546-G550 PolarHBondContact O-N 3.32Å; L547-G550 PolarHBondContact O-N 2.82Å; A548-G550 VanDerWaalsContact C-N 3.34Å |
| 551 | Q | 93 | Very high | 95.1 | Very high | 118 Ų | 118 | 64.7 Ų | 64.7 | 55% | 0.551 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -89.6 | 166.7 | -177.4 | -67.1 | 179.2 | -13.9 | 0 | 0 | 112.3 | R546 A549 | R546-Q551 HydrophobicContact CB-CB 4.11Å; R546-Q551 HydrophobicContact CG-CB 4.36Å; R546-Q551 PolarHBondContact O-N 3.02Å; A549-Q551 HydrophobicContact CB-CG 3.85Å; A549-Q551 PolarHBondContact O-N 3.29Å |
| 552 | S | 92.3 | Very high | 95.2 | Very high | 102 Ų | 102 | 57.9 Ų | 57.9 | 71% | 0.713 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 129.1 | 174.4 | 55.2 | 0 | 0 | 0 | 0 | 111.8 | R546 | R546-S552 WeakPolarHBondContact CD-O 3.45Å; R546-S552 PolarHBondContact NH1-O 2.99Å; R546-S552 VanDerWaalsContact NH1-O 3.11Å |
| 553 | I | 92.5 | Very high | 95.2 | Very high | 35 Ų | 35 | 56.3 Ų | 56.3 | 18% | 0.179 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -99 | 144.6 | -176.1 | -58.1 | 142.8 | 0 | 0 | 0 | 109.5 | L478 T543 R546 L547 E555 | L478-I553 HydrophobicContact CD1-CG2 4.32Å; T543-I553 HydrophobicContact CG2-CG2 3.66Å; R546-I553 HydrophobicContact CB-CG1 4.13Å; L547-I553 HydrophobicContact CD1-CD1 4.36Å; L547-I553 HydrophobicContact CD2-CD1 3.25Å; L547-I553 HydrophobicContact CD2-CG1 4.42Å; L547-I553 HydrophobicContact CG-CD1 3.41Å; L547-I553 VanDerWaalsContact CG-CD1 3.41Å; L547-I553 HydrophobicContact CG-CG1 4.12Å; I553-E555 HydrophobicContact CG2-CG 4.5Å; I553-E555 PolarHBondContact O-N 3.27Å |
| 554 | D | 93.7 | Very high | 95.2 | Very high | 78 Ų | 78 | 57.1 Ų | 57.1 | 42% | 0.417 | 33% | 0.328 | S | S | . | . | trans | -85.1 | 82 | 167.6 | -169.5 | -14.5 | 0 | 0 | 0 | 110.2 | K556 A557 Y558 | D554-K556 PolarHBondContact O-N 2.99Å; D554-K556 PolarHBondContact OD1-N 2.86Å; D554-A557 HydrophobicContact CB-CB 4.07Å; D554-A557 VanDerWaalsContact CG-CB 3.45Å; D554-A557 PolarHBondContact O-N 3.2Å; D554-A557 PolarHBondContact OD1-N 3.46Å; D554-A557 WeakPolarHBondContact OD2-CB 3.34Å; D554-Y558 PolarHBondContact O-N 3.32Å | ||
| 555 | E | 93.9 | Very high | 95.3 | Very high | 71 Ų | 71 | 56 Ų | 56 | 33% | 0.332 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.5 | -28.4 | 178.4 | -68.7 | -170.9 | -153.2 | 0 | 0 | 112.8 | L478 I553 R559 | L478-E555 HydrophobicContact CD2-CB 4.28Å; L478-E555 HydrophobicContact CD2-CG 4.04Å; L478-E555 HydrophobicContact CG-CG 4.25Å; I553-E555 HydrophobicContact CG2-CG 4.5Å; I553-E555 PolarHBondContact O-N 3.27Å; E555-R559 WeakPolarHBondContact O-CB 3.27Å; E555-R559 WeakPolarHBondContact O-CD 3.22Å; E555-R559 VanDerWaalsContact O-CG 3.25Å; E555-R559 WeakPolarHBondContact O-CG 3.35Å; E555-R559 PolarHBondContact O-N 3.05Å; E555-R559 IonicContact OE2-NE 3.98Å; E555-R559 IonicContact OE2-NH2 3.67Å |
| 556 | K | 94.5 | Very high | 95.4 | Very high | 97 Ų | 97 | 52.7 Ų | 52.7 | 42% | 0.422 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.9 | -45.3 | -179.5 | -65.8 | -172.1 | 178.6 | -176.2 | 0 | 110.6 | D554 Y558 R559 Y560 L603 | D554-K556 PolarHBondContact O-N 2.99Å; D554-K556 PolarHBondContact OD1-N 2.86Å; K556-Y558 VanDerWaalsContact C-N 3.33Å; K556-Y558 PolarHBondContact O-N 2.76Å; K556-R559 PolarHBondContact O-N 3Å; K556-Y560 VanDerWaalsContact O-CB 3.3Å; K556-Y560 WeakPolarHBondContact O-CB 3.48Å; K556-Y560 PolarHBondContact O-N 3.44Å; K556-L603 HydrophobicContact CB-CD2 4.47Å; K556-L603 HydrophobicContact CD-CD2 4.26Å; K556-L603 HydrophobicContact CG-CD2 3.95Å |
| 557 | A | 96.3 | Very high | 95.5 | Very high | 23 Ų | 23 | 51.8 Ų | 51.8 | 19% | 0.19 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | I539 D554 S561 | I539-A557 HydrophobicContact CG2-CB 4.34Å; D554-A557 HydrophobicContact CB-CB 4.07Å; D554-A557 VanDerWaalsContact CG-CB 3.45Å; D554-A557 PolarHBondContact O-N 3.2Å; D554-A557 PolarHBondContact OD1-N 3.46Å; D554-A557 WeakPolarHBondContact OD2-CB 3.34Å; A557-S561 WeakPolarHBondContact O-CB 3.42Å; A557-S561 PolarHBondContact O-N 3.39Å; A557-S561 PolarHBondContact O-OG 3.47Å |
| 558 | Y | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 176.7 | -172.1 | -82.5 | 0 | 0 | 0 | 112.1 | S474 I475 L478 V486 F536 I539 A540 T543 D554 K556 S561 G562 | S474-Y558 WeakPolarHBondContact CB-OH 3.31Å; I475-Y558 HydrophobicContact CD1-CD1 3.83Å; I475-Y558 HydrophobicContact CD1-CE1 3.96Å; L478-Y558 HydrophobicContact CD2-CD1 3.55Å; L478-Y558 HydrophobicContact CD2-CE1 4.22Å; L478-Y558 HydrophobicContact CD2-CG 3.82Å; V486-Y558 HydrophobicContact CG1-CE2 4.27Å; F536-Y558 HydrophobicContact CE2-CE1 4.26Å; F536-Y558 HydrophobicContact CE2-CE2 4.07Å; F536-Y558 AromaticContact CE2-CZ 3.89Å; F536-Y558 HydrophobicContact CZ-CE2 4.36Å; I539-Y558 HydrophobicContact CG2-CD2 4.29Å; A540-Y558 HydrophobicContact CB-CD2 4.49Å; A540-Y558 HydrophobicContact CB-CE2 3.85Å; T543-Y558 HydrophobicContact CG2-CD2 4.03Å; T543-Y558 HydrophobicContact CG2-CE2 4.42Å; D554-Y558 PolarHBondContact O-N 3.32Å; K556-Y558 VanDerWaalsContact C-N 3.33Å; K556-Y558 PolarHBondContact O-N 2.76Å; Y558-S561 PolarHBondContact O-OG 3.38Å; Y558-G562 PolarHBondContact O-N 3.49Å |
| 559 | R | 97.4 | Very high | 95.9 | Very high | 62 Ų | 62 | 47.8 Ų | 47.8 | 23% | 0.234 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.2 | -48.2 | 175.8 | -74.7 | 166.9 | -172.2 | -86.5 | -3.5 | 111.8 | Y471 I475 S479 E555 K556 H563 L603 | Y471-R559 PolarHBondContact OH-O 3.33Å; I475-R559 HydrophobicContact CD1-CB 4.32Å; I475-R559 HydrophobicContact CD1-CG 3.46Å; I475-R559 VanDerWaalsContact CD1-CG 3.46Å; I475-R559 HydrophobicContact CG1-CG 4.42Å; S479-R559 PolarHBondContact OG-NH2 3.36Å; S479-R559 VanDerWaalsContact OG-NH2 3.11Å; E555-R559 WeakPolarHBondContact O-CB 3.27Å; E555-R559 WeakPolarHBondContact O-CD 3.22Å; E555-R559 VanDerWaalsContact O-CG 3.25Å; E555-R559 WeakPolarHBondContact O-CG 3.35Å; E555-R559 PolarHBondContact O-N 3.05Å; E555-R559 IonicContact OE2-NE 3.98Å; E555-R559 IonicContact OE2-NH2 3.67Å; K556-R559 PolarHBondContact O-N 3Å; R559-H563 VanDerWaalsContact O-CB 3.26Å; R559-H563 WeakPolarHBondContact O-CB 3.38Å; R559-H563 PolarHBondContact O-N 3.1Å; R559-L603 HydrophobicContact CB-CD1 4.48Å |
| 560 | Y | 97.2 | Very high | 95.9 | Very high | 135 Ų | 135 | 46.4 Ų | 46.4 | 53% | 0.529 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.1 | -48.8 | -178.8 | 178.3 | -96 | 0 | 0 | 0 | 112.1 | K556 H563 A564 | K556-Y560 VanDerWaalsContact O-CB 3.3Å; K556-Y560 WeakPolarHBondContact O-CB 3.48Å; K556-Y560 PolarHBondContact O-N 3.44Å; Y560-H563 PolarHBondContact O-N 3.46Å; Y560-A564 WeakPolarHBondContact O-CB 3.5Å; Y560-A564 PolarHBondContact O-N 3.15Å |
| 561 | S | 97.9 | Very high | 96.1 | Very high | 7 Ų | 7 | 46.1 Ų | 46.1 | 5% | 0.049 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.3 | -40.4 | -179.6 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | I539 A557 Y558 A564 L565 | I539-S561 VanDerWaalsContact CD1-CB 3.44Å; I539-S561 WeakPolarHBondContact CD1-OG 3.25Å; A557-S561 WeakPolarHBondContact O-CB 3.42Å; A557-S561 PolarHBondContact O-N 3.39Å; A557-S561 PolarHBondContact O-OG 3.47Å; Y558-S561 PolarHBondContact O-OG 3.38Å; S561-A564 PolarHBondContact O-N 2.97Å; S561-L565 PolarHBondContact O-N 3.09Å |
| 562 | G | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.8 | -41.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y558 L565 C566 | Y558-G562 PolarHBondContact O-N 3.49Å; G562-L565 PolarHBondContact O-N 2.95Å; G562-C566 PolarHBondContact O-N 3.4Å; G562-C566 VanDerWaalsContact O-N 3.08Å; G562-C566 PolarHBondContact O-SG 2.72Å |
| 563 | H | 97.3 | Very high | 96.3 | Very high | 45 Ų | 45 | 35.7 Ų | 35.7 | 21% | 0.208 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.5 | -42.9 | 175 | -179 | -90 | 0 | 0 | 0 | 112.6 | Y471 R559 Y560 L565 C566 N567 | Y471-H563 HydrophobicContact CE1-CB 4.39Å; R559-H563 VanDerWaalsContact O-CB 3.26Å; R559-H563 WeakPolarHBondContact O-CB 3.38Å; R559-H563 PolarHBondContact O-N 3.1Å; Y560-H563 PolarHBondContact O-N 3.46Å; H563-L565 VanDerWaalsContact C-N 3.28Å; H563-L565 PolarHBondContact O-N 2.86Å; H563-C566 PolarHBondContact O-N 3.42Å; H563-N567 PolarHBondContact CE1-ND2 3.45Å; H563-N567 WeakPolarHBondContact O-CB 3.32Å; H563-N567 PolarHBondContact O-N 2.84Å |
| 564 | A | 97.9 | Very high | 96.2 | Very high | 21 Ų | 21 | 37.1 Ų | 37.1 | 17% | 0.174 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.4 | -40.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y560 S561 N567 G568 | Y560-A564 WeakPolarHBondContact O-CB 3.5Å; Y560-A564 PolarHBondContact O-N 3.15Å; S561-A564 PolarHBondContact O-N 2.97Å; A564-N567 PolarHBondContact O-N 3.4Å; A564-G568 PolarHBondContact O-N 2.98Å |
| 565 | L | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.2 | -44.7 | 174.7 | -179.3 | 59.3 | 0 | 0 | 0 | 112.4 | M467 M493 I528 T533 F536 S561 G562 H563 G568 V569 | M467-L565 HydrophobicContact CE-CD2 3.82Å; M467-L565 HydrophobicContact CE-CG 3.8Å; M493-L565 HydrophobicContact CE-CD2 4.4Å; I528-L565 HydrophobicContact CG2-CD1 4.06Å; T533-L565 WeakPolarHBondContact OG1-CD1 3.49Å; F536-L565 HydrophobicContact CB-CD2 4.11Å; F536-L565 HydrophobicContact CD1-CD2 3.8Å; F536-L565 HydrophobicContact CG-CD2 4.07Å; S561-L565 PolarHBondContact O-N 3.09Å; G562-L565 PolarHBondContact O-N 2.95Å; H563-L565 VanDerWaalsContact C-N 3.28Å; H563-L565 PolarHBondContact O-N 2.86Å; L565-G568 PolarHBondContact O-N 3.31Å; L565-V569 PolarHBondContact O-N 2.86Å |
| 566 | C | 98.2 | Very high | 95.6 | Very high | 7 Ų | 7 | 30.8 Ų | 30.8 | 5% | 0.047 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 174.2 | -71.1 | 0 | 0 | 0 | 0 | 111.9 | Y471 G562 H563 G568 V569 H570 | Y471-C566 VanDerWaalsContact CB-SG 3.59Å; G562-C566 PolarHBondContact O-N 3.4Å; G562-C566 VanDerWaalsContact O-N 3.08Å; G562-C566 PolarHBondContact O-SG 2.72Å; H563-C566 PolarHBondContact O-N 3.42Å; C566-G568 VanDerWaalsContact C-N 3.33Å; C566-G568 PolarHBondContact O-N 3.22Å; C566-V569 PolarHBondContact O-N 2.92Å; C566-H570 PolarHBondContact O-N 3.37Å |
| 567 | N | 96.8 | Very high | 94.7 | Very high | 67 Ų | 67 | 26.7 Ų | 26.7 | 36% | 0.358 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -61.9 | -39.8 | 177.6 | -80.6 | 12.4 | 0 | 0 | 0 | 112.2 | H563 A564 V569 H570 D571 | H563-N567 PolarHBondContact CE1-ND2 3.45Å; H563-N567 WeakPolarHBondContact O-CB 3.32Å; H563-N567 PolarHBondContact O-N 2.84Å; A564-N567 PolarHBondContact O-N 3.4Å; N567-V569 VanDerWaalsContact C-N 3.3Å; N567-V569 PolarHBondContact O-N 3.28Å; N567-H570 WeakPolarHBondContact O-CB 3.45Å; N567-H570 PolarHBondContact O-N 3.02Å; N567-H570 VanDerWaalsContact O-N 3.15Å; N567-D571 WeakPolarHBondContact O-CB 3.27Å; N567-D571 VanDerWaalsContact O-CG 3.3Å; N567-D571 PolarHBondContact O-N 3.16Å |
| 568 | G | 97.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 31 Ų | 31 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.2 | -42.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I528 A564 L565 C566 D571 L572 | I528-G568 WeakPolarHBondContact CD1-O 3.41Å; A564-G568 PolarHBondContact O-N 2.98Å; L565-G568 PolarHBondContact O-N 3.31Å; C566-G568 VanDerWaalsContact C-N 3.33Å; C566-G568 PolarHBondContact O-N 3.22Å; G568-D571 PolarHBondContact O-N 3.02Å; G568-L572 WeakPolarHBondContact O-CB 3.48Å; G568-L572 PolarHBondContact O-N 2.85Å |
| 569 | V | 97.7 | Very high | 92 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.4 | -39.9 | 175.4 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | D464 M467 I500 I528 L565 C566 N567 L572 R573 | D464-V569 HydrophobicContact CB-CG1 4.38Å; M467-V569 HydrophobicContact CG-CG1 4.41Å; M467-V569 HydrophobicContact CG-CG2 4.28Å; I500-V569 HydrophobicContact CD1-CG1 3.82Å; I500-V569 HydrophobicContact CD1-CG2 3.86Å; I528-V569 HydrophobicContact CD1-CG2 4.18Å; L565-V569 PolarHBondContact O-N 2.86Å; C566-V569 PolarHBondContact O-N 2.92Å; N567-V569 VanDerWaalsContact C-N 3.3Å; N567-V569 PolarHBondContact O-N 3.28Å; V569-L572 WeakPolarHBondContact O-CB 3.43Å; V569-L572 PolarHBondContact O-N 3.01Å; V569-R573 PolarHBondContact O-N 3.12Å |
| 570 | H | 95.5 | Very high | 89.7 | Confident | 30 Ų | 30 | 33 Ų | 33 | 14% | 0.139 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.1 | -44.9 | 175.5 | -173.3 | 68.3 | 0 | 0 | 0 | 112 | D464 C566 N567 L572 R573 L574 N596 | D464-H570 IonicContact OD1-ND1 3.84Å; D464-H570 IonicContact OD2-CE1 3.8Å; D464-H570 IonicContact OD2-CG 3.82Å; D464-H570 IonicContact OD2-ND1 2.85Å; D464-H570 PolarHBondContact OD2-ND1 2.98Å; C566-H570 PolarHBondContact O-N 3.37Å; N567-H570 WeakPolarHBondContact O-CB 3.45Å; N567-H570 PolarHBondContact O-N 3.02Å; N567-H570 VanDerWaalsContact O-N 3.15Å; H570-L572 VanDerWaalsContact C-N 3.31Å; H570-L572 PolarHBondContact O-N 3.3Å; H570-R573 WeakPolarHBondContact O-CA 3.1Å; H570-R573 WeakPolarHBondContact O-CB 3.47Å; H570-R573 PolarHBondContact O-N 2.97Å; H570-R573 VanDerWaalsContact O-N 3.07Å; H570-L574 WeakPolarHBondContact O-CG 3.4Å; H570-L574 PolarHBondContact O-N 2.91Å; H570-N596 PolarHBondContact CE1-ND2 3Å; H570-N596 PolarHBondContact ND1-ND2 3.29Å; H570-N596 VanDerWaalsContact ND1-ND2 3.16Å |
| 571 | D | 94.9 | Very high | 87.1 | Confident | 68 Ų | 68 | 34 Ų | 34 | 36% | 0.364 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.8 | -38.7 | 176.5 | -71 | -16.3 | 0 | 0 | 0 | 111.5 | N567 G568 R573 L574 T575 | N567-D571 WeakPolarHBondContact O-CB 3.27Å; N567-D571 VanDerWaalsContact O-CG 3.3Å; N567-D571 PolarHBondContact O-N 3.16Å; G568-D571 PolarHBondContact O-N 3.02Å; D571-R573 VanDerWaalsContact C-N 3.34Å; D571-L574 PolarHBondContact O-N 3.39Å; D571-T575 WeakPolarHBondContact O-CB 3.49Å; D571-T575 PolarHBondContact O-N 3.4Å; D571-T575 PolarHBondContact O-OG1 3.42Å |
| 572 | L | 96 | Very high | 84.3 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 171.8 | 172.2 | 62.3 | 0 | 0 | 0 | 111.3 | L460 I500 I504 V521 K524 V525 I528 G568 V569 H570 T575 A576 | L460-L572 HydrophobicContact CD2-CD2 3.97Å; L460-L572 HydrophobicContact CD2-CG 4.1Å; I500-L572 HydrophobicContact CG2-CD2 3.76Å; I504-L572 HydrophobicContact CG1-CD2 4.31Å; I504-L572 HydrophobicContact CG2-CD1 4.45Å; V521-L572 HydrophobicContact CG1-CD1 3.81Å; K524-L572 HydrophobicContact CB-CB 4.05Å; K524-L572 HydrophobicContact CB-CD1 3.95Å; V525-L572 HydrophobicContact CG2-CD1 3.82Å; V525-L572 HydrophobicContact CG2-CD2 4.1Å; I528-L572 HydrophobicContact CD1-CB 3.85Å; I528-L572 HydrophobicContact CD1-CD2 3.72Å; I528-L572 HydrophobicContact CD1-CG 4.41Å; G568-L572 WeakPolarHBondContact O-CB 3.48Å; G568-L572 PolarHBondContact O-N 2.85Å; V569-L572 WeakPolarHBondContact O-CB 3.43Å; V569-L572 PolarHBondContact O-N 3.01Å; H570-L572 VanDerWaalsContact C-N 3.31Å; H570-L572 PolarHBondContact O-N 3.3Å; L572-T575 PolarHBondContact O-N 3.36Å; L572-A576 VanDerWaalsContact O-CB 3.27Å; L572-A576 WeakPolarHBondContact O-CB 3.46Å; L572-A576 PolarHBondContact O-N 3.39Å |
| 573 | R | 93.4 | Very high | 81.5 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.2 | -50.3 | 175.2 | 177.2 | -176.1 | 167.8 | -160.9 | -4.4 | 111.2 | L460 D464 V569 H570 D571 T575 A576 L577 E589 | L460-R573 HydrophobicContact CB-CB 4.05Å; L460-R573 HydrophobicContact CB-CG 4.04Å; D464-R573 WeakPolarHBondContact OD2-CD 3.28Å; D464-R573 IonicContact OD2-CZ 3.31Å; D464-R573 IonicContact OD2-NH1 2.83Å; D464-R573 PolarHBondContact OD2-NH1 3.33Å; V569-R573 PolarHBondContact O-N 3.12Å; H570-R573 WeakPolarHBondContact O-CA 3.1Å; H570-R573 WeakPolarHBondContact O-CB 3.47Å; H570-R573 PolarHBondContact O-N 2.97Å; H570-R573 VanDerWaalsContact O-N 3.07Å; D571-R573 VanDerWaalsContact C-N 3.34Å; R573-T575 VanDerWaalsContact C-N 3.33Å; R573-T575 PolarHBondContact O-N 3.22Å; R573-A576 PolarHBondContact O-N 3.19Å; R573-L577 HydrophobicContact CG-CD1 3.99Å; R573-L577 VanDerWaalsContact O-CG 3.23Å; R573-L577 WeakPolarHBondContact O-CG 3.48Å; R573-L577 PolarHBondContact O-N 3.41Å; R573-E589 IonicContact CZ-OE2 2.67Å; R573-E589 IonicContact NH2-OE2 2.6Å; R573-E589 PolarHBondContact NH2-OE2 2.86Å |
| 574 | L | 89.3 | Confident | 79 | Confident | 65 Ų | 65 | 40.6 Ų | 40.6 | 34% | 0.34 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.2 | -43.5 | 178.5 | -65.3 | -179.4 | 0 | 0 | 0 | 111.6 | H570 D571 A576 L577 N578 L593 | H570-L574 WeakPolarHBondContact O-CG 3.4Å; H570-L574 PolarHBondContact O-N 2.91Å; D571-L574 PolarHBondContact O-N 3.39Å; L574-A576 VanDerWaalsContact C-N 3.35Å; L574-A576 PolarHBondContact O-N 3.21Å; L574-L577 WeakPolarHBondContact O-CB 3.44Å; L574-L577 PolarHBondContact O-N 2.76Å; L574-N578 PolarHBondContact O-N 3.07Å; L574-N578 PolarHBondContact O-OD1 3.49Å; L574-L593 HydrophobicContact CD2-CD2 4.39Å |
| 575 | T | 89.2 | Confident | 76.1 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 9% | 0.092 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.5 | -43.2 | 176.8 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | Y517 Q520 V521 K524 D571 L572 R573 L577 N578 | Y517-T575 WeakPolarHBondContact CE2-O 3.07Å; Q520-T575 HydrophobicContact CB-CG2 3.83Å; V521-T575 HydrophobicContact CG2-CG2 4.05Å; K524-T575 HydrophobicContact CG-CG2 4.27Å; D571-T575 WeakPolarHBondContact O-CB 3.49Å; D571-T575 PolarHBondContact O-N 3.4Å; D571-T575 PolarHBondContact O-OG1 3.42Å; L572-T575 PolarHBondContact O-N 3.36Å; R573-T575 VanDerWaalsContact C-N 3.33Å; R573-T575 PolarHBondContact O-N 3.22Å; T575-L577 VanDerWaalsContact C-N 3.28Å; T575-L577 PolarHBondContact O-N 3.01Å; T575-N578 WeakPolarHBondContact O-CB 3.41Å; T575-N578 PolarHBondContact O-N 3.34Å |
| 576 | A | 85.4 | Confident | 73.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66 | -31.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M456 H457 L460 Y517 L572 R573 L574 | M456-A576 HydrophobicContact CE-CB 4.21Å; M456-A576 HydrophobicContact SD-CB 4.41Å; H457-A576 PolarHBondContact CE1-O 3.49Å; L460-A576 HydrophobicContact CD1-CB 3.37Å; Y517-A576 VanDerWaalsContact OH-CA 3.32Å; Y517-A576 WeakPolarHBondContact OH-CA 3.13Å; Y517-A576 PolarHBondContact OH-O 3.25Å; L572-A576 VanDerWaalsContact O-CB 3.27Å; L572-A576 WeakPolarHBondContact O-CB 3.46Å; L572-A576 PolarHBondContact O-N 3.39Å; R573-A576 PolarHBondContact O-N 3.19Å; L574-A576 VanDerWaalsContact C-N 3.35Å; L574-A576 PolarHBondContact O-N 3.21Å |
| 577 | L | 76.3 | Confident | 71.3 | Confident | 12 Ų | 12 | 48.5 Ų | 48.5 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.2 | -31.3 | 175.5 | -71.1 | 167.5 | 0 | 0 | 0 | 112.3 | H457 R573 L574 T575 E579 C580 F584 | H457-L577 HydrophobicContact CB-CD2 4.35Å; H457-L577 WeakPolarHBondContact ND1-CD2 3.43Å; R573-L577 HydrophobicContact CG-CD1 3.99Å; R573-L577 VanDerWaalsContact O-CG 3.23Å; R573-L577 WeakPolarHBondContact O-CG 3.48Å; R573-L577 PolarHBondContact O-N 3.41Å; L574-L577 WeakPolarHBondContact O-CB 3.44Å; L574-L577 PolarHBondContact O-N 2.76Å; T575-L577 VanDerWaalsContact C-N 3.28Å; T575-L577 PolarHBondContact O-N 3.01Å; L577-E579 PolarHBondContact O-N 2.85Å; L577-C580 PolarHBondContact O-N 2.88Å; L577-F584 HydrophobicContact CB-CE1 4.32Å; L577-F584 HydrophobicContact CB-CE2 4.16Å; L577-F584 HydrophobicContact CB-CZ 3.59Å; L577-F584 HydrophobicContact CD2-CD1 4.06Å; L577-F584 HydrophobicContact CD2-CE1 3.26Å; L577-F584 HydrophobicContact CD2-CE2 4.4Å; L577-F584 HydrophobicContact CD2-CZ 3.47Å; L577-F584 VanDerWaalsContact CD2-CZ 3.47Å; L577-F584 HydrophobicContact CG-CE1 4.3Å; L577-F584 HydrophobicContact CG-CZ 4.04Å |
| 578 | N | 71.5 | Confident | 69 | Low | 113 Ų | 113 | 45.5 Ų | 45.5 | 60% | 0.604 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -5.6 | 179.7 | -70.9 | -13.5 | 0 | 0 | 0 | 114.8 | L574 T575 C580 | L574-N578 PolarHBondContact O-N 3.07Å; L574-N578 PolarHBondContact O-OD1 3.49Å; T575-N578 WeakPolarHBondContact O-CB 3.41Å; T575-N578 PolarHBondContact O-N 3.34Å; N578-C580 PolarHBondContact O-N 3.07Å |
| 579 | E | 65.5 | Low | 66.9 | Low | 64 Ų | 64 | 46.2 Ų | 46.2 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -34.2 | 170.2 | -155.5 | 179.3 | 173.2 | 0 | 0 | 112 | R511 Y517 L577 | R511-E579 IonicContact CZ-OE1 3.58Å; R511-E579 VanDerWaalsContact CZ-OE1 3.25Å; R511-E579 IonicContact CZ-OE2 2.7Å; R511-E579 IonicContact NH1-OE1 3.82Å; R511-E579 PolarHBondContact NH1-OE1 3.42Å; R511-E579 IonicContact NH1-OE2 2.69Å; R511-E579 PolarHBondContact NH1-OE2 3.12Å; R511-E579 IonicContact NH2-OE1 2.78Å; R511-E579 PolarHBondContact NH2-OE1 3.27Å; R511-E579 IonicContact NH2-OE2 3.72Å; R511-E579 PolarHBondContact NH2-OE2 3.27Å; Y517-E579 HydrophobicContact CD1-CG 3.96Å; Y517-E579 HydrophobicContact CD2-CB 3.69Å; Y517-E579 HydrophobicContact CD2-CG 3.8Å; Y517-E579 HydrophobicContact CE1-CB 4.29Å; Y517-E579 HydrophobicContact CE1-CG 3.93Å; Y517-E579 HydrophobicContact CE2-CB 3.26Å; Y517-E579 HydrophobicContact CE2-CG 3.72Å; Y517-E579 HydrophobicContact CG-CB 4.31Å; Y517-E579 HydrophobicContact CG-CG 3.89Å; Y517-E579 PolarHBondContact OH-OE2 3.47Å; L577-E579 PolarHBondContact O-N 2.85Å |
| 580 | C | 50.3 | Low | 64.4 | Low | 39 Ų | 39 | 49 Ų | 49 | 26% | 0.264 | 26% | 0.262 | S | S | . | . | trans | -95.9 | 103.8 | -172.8 | -71.1 | 0 | 0 | 0 | 0 | 108.4 | L577 N578 L582 | L577-C580 PolarHBondContact O-N 2.88Å; N578-C580 PolarHBondContact O-N 3.07Å; C580-L582 HydrophobicContact CB-CB 4.13Å; C580-L582 HydrophobicContact CB-CD1 3.97Å; C580-L582 PolarHBondContact O-N 3.35Å | ||
| 581 | D | 43 | Very low | 62 | Low | 156 Ų | 156 | 52.5 Ų | 52.5 | 83% | 0.834 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -64.9 | 28.9 | 153.6 | -73.5 | -41.4 | 0 | 0 | 0 | 111.3 | ||
| 582 | L | 37.8 | Very low | 59.7 | Low | 64 Ų | 64 | 50.3 Ų | 50.3 | 34% | 0.335 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -114.9 | 137.8 | 177.4 | -57.7 | 134.1 | 0 | 0 | 0 | 107.1 | C580 A711 | C580-L582 HydrophobicContact CB-CB 4.13Å; C580-L582 HydrophobicContact CB-CD1 3.97Å; C580-L582 PolarHBondContact O-N 3.35Å; L582-A711 HydrophobicContact CB-CB 3.77Å; L582-A711 HydrophobicContact CD2-CB 3.14Å; L582-A711 VanDerWaalsContact CD2-O 3.26Å; L582-A711 WeakPolarHBondContact CD2-O 3.39Å; L582-A711 HydrophobicContact CG-CB 3.74Å |
| 583 | P | 39.3 | Very low | 57.2 | Low | 26 Ų | 26 | 53.9 Ų | 53.9 | 17% | 0.169 | 29% | 0.288 | C | S | . | . | trans | -73.7 | 155.9 | 179.2 | 35.7 | -33.9 | 0 | 0 | 0 | 110.2 | N585 E708 E712 | P583-N585 PolarHBondContact O-N 3.06Å; P583-E708 HydrophobicContact CB-CB 3.53Å; P583-E708 HydrophobicContact CB-CG 3.57Å; P583-E708 VanDerWaalsContact CD-CA 3.47Å; P583-E708 WeakPolarHBondContact CD-O 3.32Å; P583-E708 VanDerWaalsContact CG-CA 3.44Å; P583-E708 HydrophobicContact CG-CB 3.43Å; P583-E708 VanDerWaalsContact CG-CB 3.43Å; P583-E708 HydrophobicContact CG-CG 3.94Å; P583-E708 WeakPolarHBondContact CG-O 3.46Å; P583-E712 HydrophobicContact CG-CG 3.62Å | ||
| 584 | F | 44.8 | Very low | 54.6 | Low | 102 Ų | 102 | 61.3 Ų | 61.3 | 45% | 0.447 | 32% | 0.323 | S | S | . | . | trans | -85.6 | 113 | 176.3 | -61.8 | -73.8 | 0 | 0 | 0 | 109.9 | L577 E589 | L577-F584 HydrophobicContact CB-CE1 4.32Å; L577-F584 HydrophobicContact CB-CE2 4.16Å; L577-F584 HydrophobicContact CB-CZ 3.59Å; L577-F584 HydrophobicContact CD2-CD1 4.06Å; L577-F584 HydrophobicContact CD2-CE1 3.26Å; L577-F584 HydrophobicContact CD2-CE2 4.4Å; L577-F584 HydrophobicContact CD2-CZ 3.47Å; L577-F584 VanDerWaalsContact CD2-CZ 3.47Å; L577-F584 HydrophobicContact CG-CE1 4.3Å; L577-F584 HydrophobicContact CG-CZ 4.04Å; F584-E589 HydrophobicContact CB-CG 4.28Å | ||
| 585 | N | 37.8 | Very low | 52.2 | Low | 82 Ų | 82 | 63.4 Ų | 63.4 | 44% | 0.439 | 33% | 0.334 | S | S | . | . | trans | -75.7 | 138.5 | 167.3 | -159.6 | -26.6 | 0 | 0 | 0 | 110.1 | P583 E712 | P583-N585 PolarHBondContact O-N 3.06Å; N585-E712 WeakPolarHBondContact CB-OE1 3.32Å; N585-E712 PolarHBondContact ND2-OE2 3.46Å | ||
| 586 | N | 46.4 | Very low | 50 | Low | 35 Ų | 35 | 64.5 Ų | 64.5 | 19% | 0.187 | 34% | 0.34 | C | S | . | . | S | Bend | trans | 98.1 | 135 | 160.8 | -57.1 | -63.3 | 0 | 0 | 0 | 118.5 | I588 E589 | N586-I588 PolarHBondContact O-N 2.93Å; N586-E589 PolarHBondContact O-N 3.08Å |
| 587 | D | 47.7 | Very low | 47.7 | Very low | 77 Ų | 77 | 73.2 Ų | 73.2 | 41% | 0.412 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -44.8 | -14.4 | 174.8 | -56.8 | -51.8 | 0 | 0 | 0 | 115.2 | K321 S590 L591 | K321-D587 VanDerWaalsContact CE-OD2 3.24Å; K321-D587 WeakPolarHBondContact CE-OD2 3.42Å; K321-D587 IonicContact NZ-OD2 2.77Å; K321-D587 PolarHBondContact NZ-OD2 3.29Å; D587-S590 WeakPolarHBondContact O-CB 3.4Å; D587-S590 PolarHBondContact O-N 3.35Å; D587-L591 PolarHBondContact O-N 3.19Å |
| 588 | I | 49.5 | Very low | 45.6 | Very low | 4 Ų | 4 | 75 Ų | 75 | 2% | 0.021 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -72.8 | -33.8 | 177.7 | -50.9 | -174.8 | 0 | 0 | 0 | 111.9 | S325 Q328 L329 R332 N586 S590 L591 N592 | S325-I588 WeakPolarHBondContact O-CD1 3.29Å; Q328-I588 HydrophobicContact CB-CD1 4.01Å; Q328-I588 HydrophobicContact CG-CD1 4.26Å; L329-I588 HydrophobicContact CB-CD1 4.33Å; R332-I588 VanDerWaalsContact NH1-CG2 3.31Å; N586-I588 PolarHBondContact O-N 2.93Å; I588-S590 VanDerWaalsContact C-N 3.31Å; I588-L591 WeakPolarHBondContact O-CB 3.46Å; I588-L591 PolarHBondContact O-N 3.41Å; I588-N592 PolarHBondContact O-N 3.33Å |
| 589 | E | 53 | Low | 43.6 | Very low | 18 Ų | 18 | 74.9 Ų | 74.9 | 8% | 0.084 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 171.1 | -74.3 | -60.1 | 146.4 | 0 | 0 | 110.7 | R332 R573 F584 N586 L591 N592 L593 | R332-E589 IonicContact CZ-OE1 3.83Å; R332-E589 IonicContact NH1-OE1 2.87Å; R332-E589 IonicContact NH2-OE1 3.97Å; R332-E589 PolarHBondContact NH2-OE1 2.89Å; R573-E589 IonicContact CZ-OE2 2.67Å; R573-E589 IonicContact NH2-OE2 2.6Å; R573-E589 PolarHBondContact NH2-OE2 2.86Å; F584-E589 HydrophobicContact CB-CG 4.28Å; N586-E589 PolarHBondContact O-N 3.08Å; E589-L591 VanDerWaalsContact C-N 3.27Å; E589-L591 PolarHBondContact O-N 3.48Å; E589-N592 CarbonylContact O-C 3.58Å; E589-N592 PolarHBondContact O-N 2.92Å; E589-L593 HydrophobicContact CB-CD1 4.36Å; E589-L593 WeakPolarHBondContact O-CG 3.47Å; E589-L593 PolarHBondContact O-N 3.42Å |
| 590 | S | 46.8 | Very low | 42.3 | Very low | 59 Ų | 59 | 75.7 Ų | 75.7 | 41% | 0.413 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.2 | -36.6 | 175.3 | -54.4 | 0 | 0 | 0 | 0 | 112.4 | D587 I588 N592 Q594 | D587-S590 WeakPolarHBondContact O-CB 3.4Å; D587-S590 PolarHBondContact O-N 3.35Å; I588-S590 VanDerWaalsContact C-N 3.31Å; S590-N592 PolarHBondContact O-N 3.15Å; S590-Q594 WeakPolarHBondContact O-CB 3.3Å; S590-Q594 WeakPolarHBondContact O-CG 3.41Å; S590-Q594 PolarHBondContact O-N 3.25Å |
| 591 | L | 44 | Very low | 41.4 | Very low | 102 Ų | 102 | 80.7 Ų | 80.7 | 53% | 0.534 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.5 | -31 | 173.3 | -70.7 | 171.7 | 0 | 0 | 0 | 112.8 | D587 I588 E589 | D587-L591 PolarHBondContact O-N 3.19Å; I588-L591 WeakPolarHBondContact O-CB 3.46Å; I588-L591 PolarHBondContact O-N 3.41Å; E589-L591 VanDerWaalsContact C-N 3.27Å; E589-L591 PolarHBondContact O-N 3.48Å |
| 592 | N | 45.9 | Very low | 41 | Very low | 22 Ų | 22 | 80.5 Ų | 80.5 | 12% | 0.118 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -99.2 | -22.7 | -174.7 | -76.5 | 15.4 | 0 | 0 | 0 | 113.6 | R332 D465 I588 E589 S590 | R332-N592 PolarHBondContact NH1-ND2 3.16Å; D465-N592 VanDerWaalsContact OD1-CG 3.29Å; D465-N592 PolarHBondContact OD1-ND2 3.44Å; D465-N592 VanDerWaalsContact OD1-ND2 3.11Å; D465-N592 PolarHBondContact OD2-ND2 2.96Å; I588-N592 PolarHBondContact O-N 3.33Å; E589-N592 CarbonylContact O-C 3.58Å; E589-N592 PolarHBondContact O-N 2.92Å; S590-N592 PolarHBondContact O-N 3.15Å |
| 593 | L | 44 | Very low | 40.9 | Very low | 75 Ų | 75 | 80.8 Ų | 80.8 | 39% | 0.393 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -89.1 | -27.5 | -179.7 | -67.2 | 172.3 | 0 | 0 | 0 | 113 | L574 E589 | L574-L593 HydrophobicContact CD2-CD2 4.39Å; E589-L593 HydrophobicContact CB-CD1 4.36Å; E589-L593 WeakPolarHBondContact O-CG 3.47Å; E589-L593 PolarHBondContact O-N 3.42Å |
| 594 | Q | 39.7 | Very low | 40.3 | Very low | 157 Ų | 157 | 88 Ų | 88 | 73% | 0.734 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -22.7 | -174.2 | -74.8 | -172.6 | -15.8 | 0 | 0 | 114.9 | S590 | S590-Q594 WeakPolarHBondContact O-CB 3.3Å; S590-Q594 WeakPolarHBondContact O-CG 3.41Å; S590-Q594 PolarHBondContact O-N 3.25Å |
| 595 | D | 38.7 | Very low | 39.6 | Very low | 109 Ų | 109 | 86.9 Ų | 86.9 | 58% | 0.583 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -2.7 | -173 | -92.9 | -0.3 | 0 | 0 | 0 | 114.5 | K279 | K279-D595 IonicContact NZ-OD2 3.47Å; K279-D595 PolarHBondContact NZ-OD2 2.94Å |
| 596 | N | 43.1 | Very low | 39.2 | Very low | 38 Ų | 38 | 87.9 Ų | 87.9 | 20% | 0.203 | 49% | 0.491 | C | S | . | . | trans | -90.9 | -6.9 | -166.5 | -87.5 | 6.3 | 0 | 0 | 0 | 116.9 | L468 H570 G598 | L468-N596 VanDerWaalsContact CD2-OD1 3.31Å; L468-N596 WeakPolarHBondContact CD2-OD1 3.46Å; H570-N596 PolarHBondContact CE1-ND2 3Å; H570-N596 PolarHBondContact ND1-ND2 3.29Å; H570-N596 VanDerWaalsContact ND1-ND2 3.16Å; N596-G598 VanDerWaalsContact C-N 3.31Å; N596-G598 PolarHBondContact O-N 3.43Å | ||
| 597 | H | 35.9 | Very low | 38.3 | Very low | 184 Ų | 184 | 92.1 Ų | 92.1 | 85% | 0.852 | 52% | 0.524 | S | S | * | . | trans | -87.3 | 64.5 | 176.4 | -67.4 | -57.6 | 0 | 0 | 0 | 112.5 | S599 | H597-S599 PolarHBondContact O-N 2.87Š| ||
| 598 | G | 32.9 | Very low | 37.5 | Very low | 50 Ų | 50 | 93.4 Ų | 93.4 | 52% | 0.515 | 54% | 0.538 | S | S | . | . | trans | -67.1 | 108.4 | 160 | 0 | 0 | 0 | 0 | 0 | 109.2 | N596 V600 | N596-G598 VanDerWaalsContact C-N 3.31Å; N596-G598 PolarHBondContact O-N 3.43Å; G598-V600 WeakPolarHBondContact O-CG2 3.23Å; G598-V600 PolarHBondContact O-N 3.46Å | ||
| 599 | S | 29.5 | Very low | 36.6 | Very low | 110 Ų | 110 | 98.6 Ų | 98.6 | 77% | 0.769 | 58% | 0.575 | S | S | * | * | trans | -47.4 | 117.5 | -179.4 | -172.8 | 0 | 0 | 0 | 0 | 112.6 | H597 | H597-S599 PolarHBondContact O-N 2.87Š| ||
| 600 | V | 38.2 | Very low | 35.3 | Very low | 81 Ų | 81 | 105.5 Ų | 105.5 | 49% | 0.491 | 61% | 0.612 | S | S | . | * | trans | -90.7 | -5 | -172.6 | 179.1 | 0 | 0 | 0 | 0 | 113.1 | G598 N602 | G598-V600 WeakPolarHBondContact O-CG2 3.23Å; G598-V600 PolarHBondContact O-N 3.46Å; V600-N602 PolarHBondContact O-N 3.48Å | ||
| 601 | D | 31.7 | Very low | 34.5 | Very low | 143 Ų | 143 | 108 Ų | 108 | 77% | 0.765 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 5.5 | -158.1 | -74.3 | -22.2 | 0 | 0 | 0 | 117.7 | ||
| 602 | N | 34.8 | Very low | 33.7 | Very low | 152 Ų | 152 | 114.5 Ų | 114.5 | 81% | 0.813 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.9 | 16.9 | -175.6 | -84.3 | -43.7 | 0 | 0 | 0 | 117.7 | V600 | V600-N602 PolarHBondContact O-N 3.48Š|
| 603 | L | 34.8 | Very low | 33 | Very low | 70 Ų | 70 | 120.9 Ų | 120.9 | 37% | 0.366 | 68% | 0.677 | S | S | . | * | trans | -120.7 | 31.6 | -175.5 | -69 | 170.4 | 0 | 0 | 0 | 115.8 | K556 R559 | K556-L603 HydrophobicContact CB-CD2 4.47Å; K556-L603 HydrophobicContact CD-CD2 4.26Å; K556-L603 HydrophobicContact CG-CD2 3.95Å; R559-L603 HydrophobicContact CB-CD1 4.48Å | ||
| 604 | Q | 27.7 | Very low | 32.4 | Very low | 177 Ų | 177 | 123 Ų | 123 | 83% | 0.827 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 129.8 | 163.4 | -103.6 | -177.3 | -26.4 | 0 | 0 | 110.2 | ||
| 605 | P | 30.3 | Very low | 32 | Very low | 80 Ų | 80 | 120.5 Ų | 120.5 | 52% | 0.519 | 70% | 0.696 | S | S | . | * | P | Polyproline II helix | trans | -65.4 | 146.8 | 173.2 | 25.7 | -30.1 | 0 | 0 | 0 | 110 | S607 | P605-S607 PolarHBondContact O-N 2.99Š|
| 606 | S | 27.8 | Very low | 31.7 | Very low | 102 Ų | 102 | 121 Ų | 121 | 71% | 0.713 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 131.4 | 174.6 | -55.8 | 0 | 0 | 0 | 0 | 109.8 | S608 | S606-S608 PolarHBondContact O-N 2.98Š|
| 607 | S | 28.3 | Very low | 31.3 | Very low | 125 Ų | 125 | 124.8 Ų | 124.8 | 87% | 0.874 | 73% | 0.731 | S | S | * | * | trans | -50 | 87.4 | 179.8 | 54.7 | 0 | 0 | 0 | 0 | 113.6 | P605 | P605-S607 PolarHBondContact O-N 2.99Š| ||
| 608 | S | 31.6 | Very low | 31.3 | Very low | 103 Ų | 103 | 121.1 Ų | 121.1 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | trans | -99.1 | 101 | 147.9 | 56.4 | 0 | 0 | 0 | 0 | 106.6 | S606 L610 | S606-S608 PolarHBondContact O-N 2.98Å; S608-L610 PolarHBondContact O-N 3.14Å | ||
| 609 | S | 29 | Very low | 31.2 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | trans | -20.2 | 94.7 | 171.7 | 46.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 610 | L | 27 | Very low | 31.3 | Very low | 163 Ų | 163 | 127.8 Ų | 127.8 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 125.7 | 152.4 | -94.6 | 149.7 | 0 | 0 | 0 | 106.6 | S608 R612 | S608-L610 PolarHBondContact O-N 3.14Å; L610-R612 PolarHBondContact O-N 3.23Å; L610-R612 VanDerWaalsContact O-N 3.13Å |
| 611 | P | 29.1 | Very low | 30.9 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 123.6 | 175.6 | -18.8 | 29.4 | 0 | 0 | 0 | 108.2 | L613 | P611-L613 PolarHBondContact O-N 2.7Š|
| 612 | R | 28.4 | Very low | 30.9 | Very low | 240 Ų | 240 | 130.8 Ų | 130.8 | 91% | 0.906 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 116.6 | 169.7 | -122 | 179.2 | -79.4 | -103.7 | 0.8 | 106.7 | L610 | L610-R612 PolarHBondContact O-N 3.23Å; L610-R612 VanDerWaalsContact O-N 3.13Å |
| 613 | L | 29.9 | Very low | 30.6 | Very low | 156 Ų | 156 | 132.4 Ų | 132.4 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 127.6 | 171.5 | -114.6 | 85.8 | 0 | 0 | 0 | 107.5 | P611 S615 | P611-L613 PolarHBondContact O-N 2.7Å; L613-S615 PolarHBondContact O-N 2.96Å; L613-S615 VanDerWaalsContact O-N 3.1Å |
| 614 | P | 31.8 | Very low | 30.2 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 120 | 172.9 | 11 | -8.1 | 0 | 0 | 0 | 107.5 | ||
| 615 | S | 31.8 | Very low | 30.2 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 131.4 | 171.2 | -53.5 | 0 | 0 | 0 | 0 | 108.2 | L613 | L613-S615 PolarHBondContact O-N 2.96Å; L613-S615 VanDerWaalsContact O-N 3.1Å |
| 616 | P | 32.5 | Very low | 30 | Very low | 118 Ų | 118 | 146 Ų | 146 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 132.7 | 179.4 | 22 | -30.5 | 0 | 0 | 0 | 108.9 | ||
| 617 | P | 33.3 | Very low | 30 | Very low | 118 Ų | 118 | 148.9 Ų | 148.9 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 139 | -179.5 | 23.1 | -30.8 | 0 | 0 | 0 | 109.7 | ||
| 618 | P | 35.9 | Very low | 29.7 | Very low | 108 Ų | 108 | 154.2 Ų | 154.2 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62 | 146.4 | -179.7 | 24.2 | -31.8 | 0 | 0 | 0 | 110.7 | Q620 | P618-Q620 PolarHBondContact O-N 3.29Å; P618-Q620 VanDerWaalsContact O-N 3.09Å |
| 619 | P | 31.6 | Very low | 29.6 | Very low | 118 Ų | 118 | 156.6 Ų | 156.6 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | trans | -65.4 | 112.9 | -175.3 | 25.7 | -30.6 | 0 | 0 | 0 | 109.2 | D621 | P619-D621 PolarHBondContact O-N 3.15Š| ||
| 620 | Q | 32.6 | Very low | 29.3 | Very low | 181 Ų | 181 | 158.4 Ų | 158.4 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -84.6 | 105.6 | 168 | -77.8 | -169.6 | -24.5 | 0 | 0 | 108.7 | P618 N622 | P618-Q620 PolarHBondContact O-N 3.29Å; P618-Q620 VanDerWaalsContact O-N 3.09Å; Q620-N622 PolarHBondContact O-N 3.01Å | ||
| 621 | D | 29.9 | Very low | 29.1 | Very low | 135 Ų | 135 | 160.8 Ų | 160.8 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -59.8 | 93.9 | 166.5 | -76 | -43 | 0 | 0 | 0 | 109.9 | P619 | P619-D621 PolarHBondContact O-N 3.15Š| ||
| 622 | N | 30.6 | Very low | 29.1 | Very low | 153 Ų | 153 | 160.3 Ų | 160.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -122.4 | 87.2 | 161.2 | -101.5 | -21.6 | 0 | 0 | 0 | 109.2 | Q620 Y624 | Q620-N622 PolarHBondContact O-N 3.01Å; N622-Y624 PolarHBondContact O-N 3.02Å | ||
| 623 | Y | 28.5 | Very low | 28.9 | Very low | 185 Ų | 185 | 155.5 Ų | 155.5 | 73% | 0.725 | 78% | 0.78 | S | S | * | * | trans | -49.7 | 124 | 163.4 | -88.8 | -108.3 | 0 | 0 | 0 | 110.3 | ||||
| 624 | Y | 25.9 | Very low | 29 | Very low | 185 Ų | 185 | 156 Ų | 156 | 73% | 0.725 | 78% | 0.783 | S | S | * | * | trans | 37.7 | 114.5 | 146.6 | -57.5 | -91.9 | 0 | 0 | 0 | 117.9 | N622 | N622-Y624 PolarHBondContact O-N 3.02Š| ||
| 625 | H | 27.7 | Very low | 28.7 | Very low | 176 Ų | 176 | 156.5 Ų | 156.5 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | -178.2 | 95.5 | 123.3 | -79.4 | -34.3 | 0 | 0 | 0 | 108.1 | |||||
| 626 | R | 26 | Very low | 28.6 | Very low | 253 Ų | 253 | 160.3 Ų | 160.3 | 96% | 0.955 | 79% | 0.786 | S | S | * | * | trans | -125.4 | 115.2 | 155.9 | -83.7 | -161.4 | -165.9 | -179.4 | 7.1 | 110.4 | ||||
| 627 | H | 29.2 | Very low | 28.2 | Very low | 161 Ų | 161 | 163.3 Ų | 163.3 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | trans | -59.3 | 142.3 | 174.5 | -75.9 | -91.7 | 0 | 0 | 0 | 110.9 | D629 | H627-D629 PolarHBondContact O-N 2.89Å; H627-D629 VanDerWaalsContact O-N 3.13Å | ||
| 628 | R | 21.7 | Very low | 27.8 | Very low | 237 Ų | 237 | 164.6 Ų | 164.6 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | trans | -76.1 | 85.1 | 178.7 | -176.2 | -176.1 | -169.7 | 174.6 | 3.1 | 108.4 | ||||
| 629 | D | 29.6 | Very low | 27.3 | Very low | 153 Ų | 153 | 168.6 Ų | 168.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -85.6 | 119.7 | 170.2 | -74.7 | -32.8 | 0 | 0 | 0 | 110.4 | H627 | H627-D629 PolarHBondContact O-N 2.89Å; H627-D629 VanDerWaalsContact O-N 3.13Å | ||
| 630 | Q | 22.1 | Very low | 27.2 | Very low | 152 Ų | 152 | 168.7 Ų | 168.7 | 71% | 0.71 | 80% | 0.796 | S | S | * | * | trans | -63.8 | 143.1 | 170.2 | -64.2 | 160.2 | -10.4 | 0 | 0 | 108.9 | ||||
| 631 | Y | 23.5 | Very low | 27.1 | Very low | 213 Ų | 213 | 165.7 Ų | 165.7 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | 166 | 133.3 | 127.5 | -90.4 | -71.9 | 0 | 0 | 0 | 111.7 | |||||
| 632 | S | 28.7 | Very low | 27.2 | Very low | 100 Ų | 100 | 165.1 Ų | 165.1 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | 72.8 | 79.3 | 153 | -58.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 633 | N | 24.8 | Very low | 27.4 | Very low | 140 Ų | 140 | 159.9 Ų | 159.9 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | 11.5 | 100.2 | 112.4 | -128.9 | 20 | 0 | 0 | 0 | 116.6 | |||||
| 634 | D | 31.6 | Very low | 27.9 | Very low | 165 Ų | 165 | 155.5 Ų | 155.5 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | trans | -132.3 | 110 | 147.3 | -85.9 | -36.6 | 0 | 0 | 0 | 108.1 | E636 | D634-E636 PolarHBondContact O-N 3Š| ||
| 635 | N | 25 | Very low | 28.3 | Very low | 129 Ų | 129 | 153.8 Ų | 153.8 | 69% | 0.69 | 78% | 0.775 | S | S | * | * | trans | -75.3 | 110.6 | 177.9 | -79.5 | -40.1 | 0 | 0 | 0 | 109.6 | ||||
| 636 | E | 29.8 | Very low | 29 | Very low | 187 Ų | 187 | 153.4 Ų | 153.4 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -124 | 104.8 | 149.7 | -80.7 | -169.4 | 161 | 0 | 0 | 109.4 | D634 I638 | D634-E636 PolarHBondContact O-N 3Å; E636-I638 PolarHBondContact O-N 2.97Å | ||
| 637 | Q | 23.4 | Very low | 29.8 | Very low | 180 Ų | 180 | 146.4 Ų | 146.4 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | trans | -70 | 110 | 176.2 | -70.5 | 171.3 | -27.1 | 0 | 0 | 109.5 | ||||
| 638 | I | 26.2 | Very low | 30.2 | Very low | 146 Ų | 146 | 146 Ų | 146 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | trans | -125.5 | 90.2 | 157.9 | -56.8 | -179.9 | 0 | 0 | 0 | 106.9 | E636 V640 | E636-I638 PolarHBondContact O-N 2.97Å; I638-V640 HydrophobicContact CG2-CG2 4.18Å; I638-V640 PolarHBondContact O-N 2.98Å | ||
| 639 | E | 25.4 | Very low | 31.1 | Very low | 191 Ų | 191 | 141 Ų | 141 | 89% | 0.893 | 74% | 0.736 | S | S | * | * | trans | -68 | 92.1 | 171.5 | -77.3 | -177.3 | 143.9 | 0 | 0 | 109.8 | S641 | E639-S641 PolarHBondContact O-N 2.61Š| ||
| 640 | V | 28.8 | Very low | 31.9 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | trans | -87.9 | 102.9 | 158.3 | -173.4 | 0 | 0 | 0 | 0 | 106.9 | I638 V642 | I638-V640 HydrophobicContact CG2-CG2 4.18Å; I638-V640 PolarHBondContact O-N 2.98Å; V640-V642 PolarHBondContact O-N 2.85Å | ||
| 641 | S | 31.9 | Very low | 32.6 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 83% | 0.825 | 72% | 0.721 | S | S | * | * | trans | -55.4 | 110 | -176.4 | -153.2 | 0 | 0 | 0 | 0 | 111.2 | E639 G643 | E639-S641 PolarHBondContact O-N 2.61Å; S641-G643 PolarHBondContact O-N 2.94Å | ||
| 642 | V | 31.1 | Very low | 33.4 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 75% | 0.745 | 71% | 0.705 | S | S | * | * | trans | -74.3 | 70.2 | 176.3 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | V640 | V640-V642 PolarHBondContact O-N 2.85Š| ||
| 643 | G | 34 | Very low | 34.4 | Very low | 42 Ų | 42 | 136 Ų | 136 | 43% | 0.433 | 70% | 0.704 | S | S | . | * | trans | -86 | -30.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S641 M645 | S641-G643 PolarHBondContact O-N 2.94Å; G643-M645 PolarHBondContact O-N 3.07Å | ||
| 644 | S | 39.4 | Very low | 35.2 | Very low | 94 Ų | 94 | 135 Ų | 135 | 66% | 0.657 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -80.8 | -19.7 | -164.3 | -178.7 | 0 | 0 | 0 | 0 | 115.7 | ||
| 645 | M | 35.3 | Very low | 35.6 | Very low | 148 Ų | 148 | 130.7 Ų | 130.7 | 73% | 0.729 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -87.4 | -26.9 | -171.6 | -127.6 | 175.3 | 177.1 | 0 | 0 | 114 | G643 D647 | G643-M645 PolarHBondContact O-N 3.07Å; M645-D647 VanDerWaalsContact C-N 3.34Å |
| 646 | K | 42.3 | Very low | 36.6 | Very low | 169 Ų | 169 | 129 Ų | 129 | 74% | 0.735 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -72.5 | -29.2 | 176 | -80.1 | -175.5 | 177 | 175.7 | 0 | 112.5 | Q649 K650 | K646-Q649 PolarHBondContact O-N 3.31Å; K646-K650 PolarHBondContact O-N 3.38Å |
| 647 | D | 42.8 | Very low | 37.3 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 57% | 0.567 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -72.9 | -39.8 | -178.2 | -65.6 | -26 | 0 | 0 | 0 | 112 | M645 Q649 K650 L651 | M645-D647 VanDerWaalsContact C-N 3.34Å; D647-Q649 VanDerWaalsContact C-N 3.27Å; D647-Q649 PolarHBondContact O-N 2.76Å; D647-K650 PolarHBondContact O-N 3.19Å; D647-L651 PolarHBondContact O-N 3.44Å |
| 648 | K | 36.6 | Very low | 37.9 | Very low | 153 Ų | 153 | 123.5 Ų | 123.5 | 67% | 0.665 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -60.2 | -38.6 | 171.5 | -81.1 | -171.3 | 175 | -176.7 | 0 | 112.3 | L651 I652 | K648-L651 PolarHBondContact O-N 2.99Å; K648-I652 WeakPolarHBondContact O-CG1 3.4Å; K648-I652 PolarHBondContact O-N 3.39Å |
| 649 | Q | 41.9 | Very low | 38.4 | Very low | 132 Ų | 132 | 120.4 Ų | 120.4 | 62% | 0.617 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -76.6 | -26 | -178.1 | -150.2 | 139 | 37.1 | 0 | 0 | 113.1 | K646 D647 K653 | K646-Q649 PolarHBondContact O-N 3.31Å; D647-Q649 VanDerWaalsContact C-N 3.27Å; D647-Q649 PolarHBondContact O-N 2.76Å; Q649-K653 PolarHBondContact O-N 2.91Å |
| 650 | K | 45.8 | Very low | 39 | Very low | 148 Ų | 148 | 113.8 Ų | 113.8 | 64% | 0.643 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.1 | -43.6 | 166.8 | -110.9 | -177.9 | 175.9 | -176.8 | 0 | 111.4 | K646 D647 I652 K653 E654 | K646-K650 PolarHBondContact O-N 3.38Å; D647-K650 PolarHBondContact O-N 3.19Å; K650-I652 VanDerWaalsContact C-N 3.35Å; K650-I652 PolarHBondContact O-N 2.96Å; K650-K653 PolarHBondContact O-N 3.38Å; K650-E654 WeakPolarHBondContact O-CB 3.46Å; K650-E654 PolarHBondContact O-N 2.9Å |
| 651 | L | 35.5 | Very low | 39.2 | Very low | 110 Ų | 110 | 114.3 Ų | 114.3 | 58% | 0.576 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -60.5 | -44.3 | 179.5 | -142.6 | 82.7 | 0 | 0 | 0 | 111.5 | D647 K648 K653 E654 V655 | D647-L651 PolarHBondContact O-N 3.44Å; K648-L651 PolarHBondContact O-N 2.99Å; L651-K653 PolarHBondContact O-N 3Å; L651-E654 PolarHBondContact O-N 3.27Å; L651-E654 VanDerWaalsContact O-N 3.1Å; L651-V655 WeakPolarHBondContact O-CG2 3.45Å; L651-V655 PolarHBondContact O-N 3.38Å |
| 652 | I | 41.8 | Very low | 39.2 | Very low | 98 Ų | 98 | 114 Ų | 114 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59 | -46.6 | 176.1 | -68.2 | 165 | 0 | 0 | 0 | 110.8 | K648 K650 E654 V655 D656 | K648-I652 WeakPolarHBondContact O-CG1 3.4Å; K648-I652 PolarHBondContact O-N 3.39Å; K650-I652 VanDerWaalsContact C-N 3.35Å; K650-I652 PolarHBondContact O-N 2.96Å; I652-E654 PolarHBondContact O-N 2.75Å; I652-V655 PolarHBondContact O-N 2.68Å; I652-D656 WeakPolarHBondContact O-CB 3.24Å; I652-D656 VanDerWaalsContact O-CG 3.26Å; I652-D656 PolarHBondContact O-N 3.3Å |
| 653 | K | 48.7 | Very low | 39.2 | Very low | 155 Ų | 155 | 115 Ų | 115 | 67% | 0.674 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64 | -28.6 | 177.3 | -77.6 | -173.8 | 175.5 | -175.7 | 0 | 113.4 | Q649 K650 L651 R657 | Q649-K653 PolarHBondContact O-N 2.91Å; K650-K653 PolarHBondContact O-N 3.38Å; L651-K653 PolarHBondContact O-N 3Å; K653-R657 WeakPolarHBondContact O-CB 3.4Å; K653-R657 PolarHBondContact O-N 3.44Å; K653-R657 VanDerWaalsContact O-N 3.12Å |
| 654 | E | 41.8 | Very low | 39.1 | Very low | 120 Ų | 120 | 118.6 Ų | 118.6 | 56% | 0.561 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -81.6 | -37.8 | 180 | -157.5 | 142.8 | -154.4 | 0 | 0 | 111.3 | K650 L651 I652 R657 V658 | K650-E654 WeakPolarHBondContact O-CB 3.46Å; K650-E654 PolarHBondContact O-N 2.9Å; L651-E654 PolarHBondContact O-N 3.27Å; L651-E654 VanDerWaalsContact O-N 3.1Å; I652-E654 PolarHBondContact O-N 2.75Å; E654-R657 WeakPolarHBondContact O-CB 3.2Å; E654-R657 PolarHBondContact O-N 3.46Å; E654-V658 WeakPolarHBondContact O-CG2 3.14Å; E654-V658 PolarHBondContact O-N 3.12Å |
| 655 | V | 40.3 | Very low | 38.5 | Very low | 75 Ų | 75 | 121 Ų | 121 | 46% | 0.455 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.8 | -44.5 | 168.5 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | L651 I652 R657 V658 N659 | L651-V655 WeakPolarHBondContact O-CG2 3.45Å; L651-V655 PolarHBondContact O-N 3.38Å; I652-V655 PolarHBondContact O-N 2.68Å; V655-R657 PolarHBondContact O-N 2.82Å; V655-V658 PolarHBondContact O-N 3.48Å; V655-V658 VanDerWaalsContact O-N 3.16Å; V655-N659 WeakPolarHBondContact O-CB 3.38Å; V655-N659 PolarHBondContact O-N 2.91Å |
| 656 | D | 44.8 | Very low | 38.1 | Very low | 92 Ų | 92 | 119 Ų | 119 | 49% | 0.492 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61 | -35.3 | 175.2 | -70.9 | -23.7 | 0 | 0 | 0 | 111.8 | I652 S660 | I652-D656 WeakPolarHBondContact O-CB 3.24Å; I652-D656 VanDerWaalsContact O-CG 3.26Å; I652-D656 PolarHBondContact O-N 3.3Å; D656-S660 WeakPolarHBondContact O-CB 3.49Å; D656-S660 PolarHBondContact O-N 3.35Å; D656-S660 PolarHBondContact O-OG 3.46Å |
| 657 | R | 45.6 | Very low | 37.3 | Very low | 177 Ų | 177 | 115.8 Ų | 115.8 | 67% | 0.668 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.9 | -37.1 | 176.7 | -159.1 | 179.7 | -166.1 | 174.2 | 3.9 | 112.4 | K653 E654 V655 S660 M661 | K653-R657 WeakPolarHBondContact O-CB 3.4Å; K653-R657 PolarHBondContact O-N 3.44Å; K653-R657 VanDerWaalsContact O-N 3.12Å; E654-R657 WeakPolarHBondContact O-CB 3.2Å; E654-R657 PolarHBondContact O-N 3.46Å; V655-R657 PolarHBondContact O-N 2.82Å; R657-S660 WeakPolarHBondContact CA-OG 3.43Å; R657-S660 PolarHBondContact O-OG 2.98Å; R657-M661 WeakPolarHBondContact O-CG 3.5Å; R657-M661 PolarHBondContact O-N 3.46Å |
| 658 | V | 36.9 | Very low | 36.4 | Very low | 76 Ų | 76 | 115.4 Ų | 115.4 | 46% | 0.461 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -71.9 | -41.8 | 176.4 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | E654 V655 S660 M661 L662 | E654-V658 WeakPolarHBondContact O-CG2 3.14Å; E654-V658 PolarHBondContact O-N 3.12Å; V655-V658 PolarHBondContact O-N 3.48Å; V655-V658 VanDerWaalsContact O-N 3.16Å; V658-S660 PolarHBondContact O-N 3.42Å; V658-M661 WeakPolarHBondContact O-CB 3.34Å; V658-M661 PolarHBondContact O-N 3.39Å; V658-L662 HydrophobicContact CG1-CD1 4.09Å; V658-L662 PolarHBondContact O-N 3.05Å |
| 659 | N | 36.3 | Very low | 35.8 | Very low | 81 Ų | 81 | 114 Ų | 114 | 43% | 0.433 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.8 | -44.6 | 175.9 | -73.5 | -14.3 | 0 | 0 | 0 | 111.1 | V655 M661 L662 E663 | V655-N659 WeakPolarHBondContact O-CB 3.38Å; V655-N659 PolarHBondContact O-N 2.91Å; N659-M661 VanDerWaalsContact C-N 3.26Å; N659-M661 PolarHBondContact O-N 3.24Å; N659-L662 PolarHBondContact O-N 3.43Å; N659-L662 VanDerWaalsContact O-N 3.16Å; N659-E663 PolarHBondContact O-N 2.92Å |
| 660 | S | 36.4 | Very low | 34.9 | Very low | 52 Ų | 52 | 117.3 Ų | 117.3 | 36% | 0.364 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.1 | -20.3 | 174.3 | 47.3 | 0 | 0 | 0 | 0 | 113.7 | D656 R657 V658 N664 | D656-S660 WeakPolarHBondContact O-CB 3.49Å; D656-S660 PolarHBondContact O-N 3.35Å; D656-S660 PolarHBondContact O-OG 3.46Å; R657-S660 WeakPolarHBondContact CA-OG 3.43Å; R657-S660 PolarHBondContact O-OG 2.98Å; V658-S660 PolarHBondContact O-N 3.42Å; S660-N664 VanDerWaalsContact O-CG 3.27Å; S660-N664 PolarHBondContact O-ND2 2.95Å |
| 661 | M | 33.9 | Very low | 33.8 | Very low | 131 Ų | 131 | 116.3 Ų | 116.3 | 65% | 0.645 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -78.7 | -31.9 | 169.7 | -81.1 | -174.5 | 134.4 | 0 | 0 | 113.1 | R657 V658 N659 | R657-M661 WeakPolarHBondContact O-CG 3.5Å; R657-M661 PolarHBondContact O-N 3.46Å; V658-M661 WeakPolarHBondContact O-CB 3.34Å; V658-M661 PolarHBondContact O-N 3.39Å; N659-M661 VanDerWaalsContact C-N 3.26Å; N659-M661 PolarHBondContact O-N 3.24Å |
| 662 | L | 31.4 | Very low | 33.2 | Very low | 113 Ų | 113 | 121.1 Ų | 121.1 | 59% | 0.592 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -77.8 | -37.7 | 178.6 | -75 | 167 | 0 | 0 | 0 | 112.4 | V658 N659 N664 N665 | V658-L662 HydrophobicContact CG1-CD1 4.09Å; V658-L662 PolarHBondContact O-N 3.05Å; N659-L662 PolarHBondContact O-N 3.43Å; N659-L662 VanDerWaalsContact O-N 3.16Å; L662-N664 VanDerWaalsContact C-N 3.27Å; L662-N664 PolarHBondContact O-N 3.07Å; L662-N665 PolarHBondContact O-N 3.47Å |
| 663 | E | 32 | Very low | 32.2 | Very low | 142 Ų | 142 | 124.1 Ų | 124.1 | 66% | 0.664 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.8 | -33 | 175.4 | -73.8 | -179.7 | 168.9 | 0 | 0 | 112.3 | N659 N665 S666 T667 | N659-E663 PolarHBondContact O-N 2.92Å; E663-N665 VanDerWaalsContact C-N 3.28Å; E663-N665 PolarHBondContact O-N 3.33Å; E663-S666 PolarHBondContact O-N 3.33Å; E663-T667 PolarHBondContact O-OG1 3.5Å |
| 664 | N | 30.9 | Very low | 31 | Very low | 119 Ų | 119 | 121.9 Ų | 121.9 | 64% | 0.636 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -75.9 | -9.3 | -179.3 | -76.1 | -32 | 0 | 0 | 0 | 114.7 | S660 L662 | S660-N664 VanDerWaalsContact O-CG 3.27Å; S660-N664 PolarHBondContact O-ND2 2.95Å; L662-N664 VanDerWaalsContact C-N 3.27Å; L662-N664 PolarHBondContact O-N 3.07Å |
| 665 | N | 28.2 | Very low | 30.1 | Very low | 144 Ų | 144 | 124.5 Ų | 124.5 | 77% | 0.77 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -98.8 | -9.4 | 173.9 | -86.7 | -14 | 0 | 0 | 0 | 113.9 | L662 E663 | L662-N665 PolarHBondContact O-N 3.47Å; E663-N665 VanDerWaalsContact C-N 3.28Å; E663-N665 PolarHBondContact O-N 3.33Å |
| 666 | S | 26.9 | Very low | 29.2 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 74% | 0.741 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -98.8 | -11.1 | -179.8 | -56.8 | 0 | 0 | 0 | 0 | 113.5 | E663 S668 | E663-S666 PolarHBondContact O-N 3.33Å; S666-S668 PolarHBondContact O-N 2.83Å |
| 667 | T | 23.8 | Very low | 28.2 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 62% | 0.62 | 67% | 0.672 | S | S | * | * | trans | -93.8 | 77.4 | 171.5 | 40.9 | 0 | 0 | 0 | 0 | 109.8 | E663 N669 | E663-T667 PolarHBondContact O-OG1 3.5Å; T667-N669 VanDerWaalsContact C-N 3.25Å; T667-N669 PolarHBondContact O-N 3.38Å | ||
| 668 | S | 25.6 | Very low | 27.2 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 69% | 0.692 | 68% | 0.68 | S | S | * | * | trans | -58.2 | 98.7 | 161 | -85.9 | 0 | 0 | 0 | 0 | 108.4 | S666 Y670 | S666-S668 PolarHBondContact O-N 2.83Å; S668-Y670 VanDerWaalsContact C-N 3.3Å; S668-Y670 WeakPolarHBondContact O-CD2 3.36Å; S668-Y670 PolarHBondContact O-N 3.44Å | ||
| 669 | N | 22.5 | Very low | 26.7 | Very low | 123 Ų | 123 | 137 Ų | 137 | 66% | 0.658 | 70% | 0.7 | S | S | * | * | trans | -64.3 | 83.9 | -175.5 | -158.3 | -1.6 | 0 | 0 | 0 | 109.2 | T667 N671 | T667-N669 VanDerWaalsContact C-N 3.25Å; T667-N669 PolarHBondContact O-N 3.38Å; N669-N671 PolarHBondContact O-N 3.4Å | ||
| 670 | Y | 24.4 | Very low | 26.2 | Very low | 202 Ų | 202 | 138.3 Ų | 138.3 | 79% | 0.792 | 72% | 0.716 | S | S | * | * | trans | -67.9 | 84.2 | 162.1 | -74.4 | -79 | 0 | 0 | 0 | 107 | S668 Y672 | S668-Y670 VanDerWaalsContact C-N 3.3Å; S668-Y670 WeakPolarHBondContact O-CD2 3.36Å; S668-Y670 PolarHBondContact O-N 3.44Å; Y670-Y672 VanDerWaalsContact C-N 3.3Å; Y670-Y672 PolarHBondContact O-N 3Å | ||
| 671 | N | 21.7 | Very low | 25.6 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 67% | 0.674 | 74% | 0.742 | S | S | * | * | trans | -57.4 | 92.7 | 173.2 | -92.4 | -51.6 | 0 | 0 | 0 | 109.3 | N669 K673 | N669-N671 PolarHBondContact O-N 3.4Å; N671-K673 PolarHBondContact O-N 3.46Å | ||
| 672 | Y | 22.8 | Very low | 25.3 | Very low | 212 Ų | 212 | 139.3 Ų | 139.3 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | trans | -60.5 | 106.4 | 159.4 | -94.5 | -93.8 | 0 | 0 | 0 | 106.9 | Y670 S674 | Y670-Y672 VanDerWaalsContact C-N 3.3Å; Y670-Y672 PolarHBondContact O-N 3Å; Y672-S674 PolarHBondContact O-N 3.38Å | ||
| 673 | K | 22.2 | Very low | 25 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | trans | -66.8 | 89 | 160.5 | -79.5 | -172 | 169.1 | -159.9 | 0 | 107.1 | N671 H675 | N671-K673 PolarHBondContact O-N 3.46Å; K673-H675 PolarHBondContact O-N 3.31Å | ||
| 674 | S | 22.1 | Very low | 24.9 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | -53.9 | 106.2 | 160.7 | 41.2 | 0 | 0 | 0 | 0 | 107.6 | Y672 S676 | Y672-S674 PolarHBondContact O-N 3.38Å; S674-S676 VanDerWaalsContact C-N 3.3Å; S674-S676 PolarHBondContact O-N 3.24Å | ||
| 675 | H | 23.5 | Very low | 24.6 | Very low | 175 Ų | 175 | 142.2 Ų | 142.2 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | -66.3 | 99.2 | 163 | -89.6 | 13.6 | 0 | 0 | 0 | 106.3 | K673 F677 | K673-H675 PolarHBondContact O-N 3.31Å; H675-F677 PolarHBondContact O-N 3.48Å | ||
| 676 | S | 21.6 | Very low | 24.6 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -62.3 | 89.9 | 167.2 | 60.6 | 0 | 0 | 0 | 0 | 108 | S674 K678 | S674-S676 VanDerWaalsContact C-N 3.3Å; S674-S676 PolarHBondContact O-N 3.24Å; S676-K678 PolarHBondContact O-N 3.39Å | ||
| 677 | F | 23.2 | Very low | 24.8 | Very low | 189 Ų | 189 | 140.4 Ų | 140.4 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | trans | -67.2 | 116 | 168.3 | -156.6 | -98.4 | 0 | 0 | 0 | 106.6 | H675 Q679 | H675-F677 PolarHBondContact O-N 3.48Å; F677-Q679 PolarHBondContact O-N 3.48Å | ||
| 678 | K | 25.6 | Very low | 25.2 | Very low | 191 Ų | 191 | 143 Ų | 143 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | trans | -60.2 | 106.5 | 177 | -73.1 | -180 | 175 | -178.8 | 0 | 108.1 | S676 S680 | S676-K678 PolarHBondContact O-N 3.39Å; K678-S680 PolarHBondContact O-N 2.87Å; K678-S680 VanDerWaalsContact O-N 3.08Å | ||
| 679 | Q | 26.6 | Very low | 25.4 | Very low | 190 Ų | 190 | 146.9 Ų | 146.9 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | trans | -65.9 | 104.4 | 167.3 | -85 | 173.7 | -19 | 0 | 0 | 108.1 | F677 | F677-Q679 PolarHBondContact O-N 3.48Š| ||
| 680 | S | 25.8 | Very low | 26.1 | Very low | 110 Ų | 110 | 148 Ų | 148 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -76 | 118.6 | 158.4 | 63.6 | 0 | 0 | 0 | 0 | 107.6 | K678 G682 | K678-S680 PolarHBondContact O-N 2.87Å; K678-S680 VanDerWaalsContact O-N 3.08Å; S680-G682 PolarHBondContact O-N 3.39Å | ||
| 681 | T | 23.3 | Very low | 26.8 | Very low | 147 Ų | 147 | 146 Ų | 146 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -50.8 | 110.3 | 169.1 | 50.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 682 | G | 27.8 | Very low | 27.9 | Very low | 57 Ų | 57 | 145.5 Ų | 145.5 | 59% | 0.588 | 78% | 0.782 | S | S | * | * | trans | -156.3 | 110.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | S680 I684 | S680-G682 PolarHBondContact O-N 3.39Å; G682-I684 PolarHBondContact O-N 2.89Å | ||
| 683 | D | 25.1 | Very low | 29.7 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | trans | -54.7 | 118.1 | -176.7 | -58.3 | -59.5 | 0 | 0 | 0 | 112.4 | ||||
| 684 | I | 28.7 | Very low | 31.8 | Very low | 156 Ų | 156 | 132.4 Ų | 132.4 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | trans | -134.6 | 136.7 | 166.5 | -59.7 | -178.7 | 0 | 0 | 0 | 109 | G682 | G682-I684 PolarHBondContact O-N 2.89Š| ||
| 685 | P | 25.3 | Very low | 34.2 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 69% | 0.688 | 71% | 0.707 | S | S | * | * | trans | -89.2 | 135.6 | -155.2 | -2.1 | 22.4 | 0 | 0 | 0 | 114.5 | S687 | P685-S687 VanDerWaalsContact C-N 3.28Å; P685-S687 PolarHBondContact O-N 3.1Å | ||
| 686 | A | 27.1 | Very low | 36.2 | Very low | 104 Ų | 104 | 125.8 Ų | 125.8 | 86% | 0.86 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 41.6 | 7.1 | 141.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||
| 687 | S | 33 | Very low | 38.5 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 76% | 0.755 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -102.4 | 2.1 | 175.8 | 59.9 | 0 | 0 | 0 | 0 | 114.7 | P685 | P685-S687 VanDerWaalsContact C-N 3.28Å; P685-S687 PolarHBondContact O-N 3.1Å |
| 688 | Q | 31.9 | Very low | 40.7 | Very low | 154 Ų | 154 | 114.6 Ų | 114.6 | 72% | 0.72 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -98 | -10 | -176.4 | -104 | 178.9 | -31.5 | 0 | 0 | 115.6 | N690 | Q688-N690 PolarHBondContact O-N 3.36Š|
| 689 | E | 30.2 | Very low | 42.9 | Very low | 182 Ų | 182 | 109 Ų | 109 | 85% | 0.85 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -6.2 | -178.5 | -79.6 | -174 | 155.8 | 0 | 0 | 114.5 | ||
| 690 | N | 35.8 | Very low | 45 | Very low | 145 Ų | 145 | 104.1 Ų | 104.1 | 78% | 0.775 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 7.4 | 178.8 | -115.7 | 17.1 | 0 | 0 | 0 | 114.8 | Q688 L692 | Q688-N690 PolarHBondContact O-N 3.36Å; N690-L692 PolarHBondContact O-N 3.4Å |
| 691 | Q | 38.6 | Very low | 47.4 | Very low | 161 Ų | 161 | 102 Ų | 102 | 75% | 0.752 | 58% | 0.575 | S | S | * | * | trans | -82.3 | 51 | 167.7 | -66.1 | -176.1 | 1.4 | 0 | 0 | 110.7 | S693 | Q691-S693 PolarHBondContact O-N 3.27Š| ||
| 692 | L | 46 | Very low | 50 | Low | 116 Ų | 116 | 95.3 Ų | 95.3 | 61% | 0.607 | 53% | 0.533 | S | S | * | . | trans | -55.2 | 124.6 | 156.6 | -71.9 | 168 | 0 | 0 | 0 | 105.7 | N690 E694 | N690-L692 PolarHBondContact O-N 3.4Å; L692-E694 PolarHBondContact O-N 2.99Å | ||
| 693 | S | 59.4 | Low | 52.5 | Low | 30 Ų | 30 | 95.7 Ų | 95.7 | 21% | 0.21 | 53% | 0.525 | C | S | . | . | trans | -49.4 | 108.1 | -175.6 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | Q691 R695 N696 Q763 | Q691-S693 PolarHBondContact O-N 3.27Å; S693-R695 PolarHBondContact O-N 3.19Å; S693-R695 WeakPolarHBondContact OG-CB 3.49Å; S693-N696 PolarHBondContact O-N 2.99Å; S693-Q763 PolarHBondContact OG-O 3.5Å; S693-Q763 PolarHBondContact OG-OE1 2.75Å | ||
| 694 | E | 66.3 | Low | 54.7 | Low | 67 Ų | 67 | 90.3 Ų | 90.3 | 31% | 0.313 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -49.7 | -29.3 | -179.7 | -67 | 177.5 | 176.5 | 0 | 0 | 110.7 | L692 N696 E697 V698 Q763 T765 A824 | L692-E694 PolarHBondContact O-N 2.99Å; E694-N696 VanDerWaalsContact C-N 3.29Å; E694-N696 PolarHBondContact O-N 3.3Å; E694-E697 WeakPolarHBondContact O-CB 3.49Å; E694-E697 PolarHBondContact O-N 3.05Å; E694-V698 WeakPolarHBondContact O-CG2 3.3Å; E694-V698 PolarHBondContact O-N 2.83Å; E694-V698 VanDerWaalsContact O-N 3.08Å; E694-Q763 PolarHBondContact N-O 2.94Å; E694-T765 WeakPolarHBondContact OE2-CB 3.26Å; E694-T765 PolarHBondContact OE2-N 2.99Å; E694-T765 PolarHBondContact OE2-OG1 3.41Å; E694-A824 HydrophobicContact CB-CB 4.06Å; E694-A824 HydrophobicContact CG-CB 4.21Å |
| 695 | R | 72.5 | Confident | 56.9 | Low | 52 Ų | 52 | 86.7 Ų | 86.7 | 20% | 0.196 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -43.7 | -49.3 | 170.8 | -162.8 | -169.7 | 67.9 | 173 | -4.1 | 113.5 | S693 E697 F755 G758 G760 L762 Q763 | S693-R695 PolarHBondContact O-N 3.19Å; S693-R695 WeakPolarHBondContact OG-CB 3.49Å; R695-E697 VanDerWaalsContact C-N 3.33Å; R695-F755 HydrophobicContact CB-CD2 4.02Å; R695-F755 HydrophobicContact CB-CE2 3.8Å; R695-F755 HydrophobicContact CG-CD2 3.78Å; R695-F755 HydrophobicContact CG-CE2 4.09Å; R695-G758 PolarHBondContact NE-O 3.23Å; R695-G758 WeakPolarHBondContact O-CA 3.21Å; R695-G760 PolarHBondContact NH1-O 2.97Å; R695-L762 WeakPolarHBondContact CD-O 3.47Å; R695-Q763 PolarHBondContact N-O 3.26Å |
| 696 | N | 66.3 | Low | 59.5 | Low | 92 Ų | 92 | 82.1 Ų | 82.1 | 49% | 0.492 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -73.7 | -29 | -178 | -68.2 | -8.7 | 0 | 0 | 0 | 111.4 | S693 E694 S700 | S693-N696 PolarHBondContact O-N 2.99Å; E694-N696 VanDerWaalsContact C-N 3.29Å; E694-N696 PolarHBondContact O-N 3.3Å; N696-S700 WeakPolarHBondContact O-CB 3.28Å; N696-S700 PolarHBondContact O-N 3.39Å; N696-S700 PolarHBondContact O-OG 3.42Å |
| 697 | E | 70.2 | Confident | 61.8 | Low | 63 Ų | 63 | 81.7 Ų | 81.7 | 29% | 0.294 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70.8 | -43.8 | -179.5 | -61.2 | -173.2 | 175.4 | 0 | 0 | 111.6 | E694 R695 F699 S700 V701 | E694-E697 WeakPolarHBondContact O-CB 3.49Å; E694-E697 PolarHBondContact O-N 3.05Å; R695-E697 VanDerWaalsContact C-N 3.33Å; E697-F699 VanDerWaalsContact C-N 3.29Å; E697-F699 PolarHBondContact O-N 2.83Å; E697-S700 WeakPolarHBondContact CA-OG 3.45Å; E697-S700 PolarHBondContact O-N 2.73Å; E697-S700 PolarHBondContact O-OG 2.89Å; E697-V701 WeakPolarHBondContact O-CG2 3.5Å; E697-V701 PolarHBondContact O-N 3.32Å |
| 698 | V | 69.3 | Low | 63.5 | Low | 2 Ų | 2 | 80.2 Ų | 80.2 | 1% | 0.012 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -52.5 | -46 | -176.6 | 173.5 | 0 | 0 | 0 | 0 | 112.1 | E694 F755 V822 A824 I833 | E694-V698 WeakPolarHBondContact O-CG2 3.3Å; E694-V698 PolarHBondContact O-N 2.83Å; E694-V698 VanDerWaalsContact O-N 3.08Å; V698-F755 HydrophobicContact CG2-CE1 3.96Å; V698-F755 HydrophobicContact CG2-CZ 4.16Å; V698-V822 HydrophobicContact CG1-CG1 4.31Å; V698-V822 HydrophobicContact CG2-CG1 4.24Å; V698-A824 HydrophobicContact CG2-CB 4.38Å; V698-I833 HydrophobicContact CG1-CG2 4.15Å |
| 699 | F | 71.2 | Confident | 65.6 | Low | 74 Ų | 74 | 76 Ų | 76 | 33% | 0.325 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -78.3 | -30.6 | -179.2 | -168.4 | -105.1 | 0 | 0 | 0 | 112.8 | E697 V701 L702 R707 | E697-F699 VanDerWaalsContact C-N 3.29Å; E697-F699 PolarHBondContact O-N 2.83Å; F699-V701 PolarHBondContact O-N 3.34Å; F699-L702 HydrophobicContact CD2-CD1 4.4Å; F699-R707 HydrophobicContact CE2-CG 4.26Å; F699-R707 HydrophobicContact CZ-CG 4.3Å |
| 700 | S | 71.8 | Confident | 67.8 | Low | 87 Ų | 87 | 67.6 Ų | 67.6 | 61% | 0.608 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -71.9 | -24.8 | -175.3 | 72.4 | 0 | 0 | 0 | 0 | 114.6 | N696 E697 | N696-S700 WeakPolarHBondContact O-CB 3.28Å; N696-S700 PolarHBondContact O-N 3.39Å; N696-S700 PolarHBondContact O-OG 3.42Å; E697-S700 WeakPolarHBondContact CA-OG 3.45Å; E697-S700 PolarHBondContact O-N 2.73Å; E697-S700 PolarHBondContact O-OG 2.89Å |
| 701 | V | 75.8 | Confident | 69.4 | Low | 65 Ų | 65 | 61.1 Ų | 61.1 | 39% | 0.394 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -15 | -176.4 | 179.5 | 0 | 0 | 0 | 0 | 112.5 | E697 F699 S830 I833 | E697-V701 WeakPolarHBondContact O-CG2 3.5Å; E697-V701 PolarHBondContact O-N 3.32Å; F699-V701 PolarHBondContact O-N 3.34Å; V701-S830 WeakPolarHBondContact O-CB 3.4Å; V701-I833 HydrophobicContact CB-CD1 4.3Å; V701-I833 HydrophobicContact CG1-CD1 3.98Å |
| 702 | L | 77.3 | Confident | 71.2 | Confident | 7 Ų | 7 | 56.5 Ų | 56.5 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | trans | -74.6 | 131.3 | -176.6 | -61.9 | 175.7 | 0 | 0 | 0 | 111.7 | F699 Q706 R707 M710 I833 F834 | F699-L702 HydrophobicContact CD2-CD1 4.4Å; L702-Q706 HydrophobicContact CB-CB 4.3Å; L702-Q706 HydrophobicContact CD2-CB 4.3Å; L702-R707 HydrophobicContact CB-CG 3.46Å; L702-R707 VanDerWaalsContact CB-CG 3.46Å; L702-R707 HydrophobicContact CD1-CG 4.21Å; L702-R707 PolarHBondContact O-NE 2.83Å; L702-M710 HydrophobicContact CD1-CE 4.44Å; L702-M710 HydrophobicContact CD1-SD 3.35Å; L702-M710 WeakPolarHBondContact CD1-SD 3.32Å; L702-I833 HydrophobicContact CD2-CG2 4.3Å; L702-F834 HydrophobicContact CD2-CB 3.77Å; L702-F834 HydrophobicContact CD2-CD2 4.5Å | ||
| 703 | T | 80 | Confident | 72.8 | Confident | 66 Ų | 66 | 53.8 Ų | 53.8 | 41% | 0.405 | 29% | 0.289 | S | S | . | . | trans | -64.9 | 160.8 | 171.7 | 62.9 | 0 | 0 | 0 | 0 | 110.8 | Q706 R707 | T703-Q706 PolarHBondContact O-N 2.93Å; T703-Q706 VanDerWaalsContact O-N 3.16Å; T703-Q706 VanDerWaalsContact OG1-CG 3.26Å; T703-Q706 WeakPolarHBondContact OG1-CG 3.39Å; T703-Q706 PolarHBondContact OG1-OE1 3.38Å; T703-R707 PolarHBondContact O-N 3.46Å | ||
| 704 | S | 71.9 | Confident | 73.8 | Confident | 59 Ų | 59 | 52.9 Ų | 52.9 | 41% | 0.413 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -51.5 | -49.6 | 176.9 | -155.9 | 0 | 0 | 0 | 0 | 112.6 | Q706 R707 E708 | S704-Q706 VanDerWaalsContact C-N 3.3Å; S704-Q706 PolarHBondContact O-N 3.4Å; S704-R707 PolarHBondContact O-N 2.82Å; S704-E708 WeakPolarHBondContact O-CB 3.23Å; S704-E708 WeakPolarHBondContact O-CG 3.47Å; S704-E708 PolarHBondContact O-N 3.32Å; S704-E708 PolarHBondContact OG-OE1 2.96Å |
| 705 | P | 75.2 | Confident | 74.3 | Confident | 81 Ų | 81 | 52.1 Ų | 52.1 | 53% | 0.526 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.4 | -32 | -179.8 | -22.3 | 34.5 | 0 | 0 | 0 | 114.3 | E708 T709 | P705-E708 WeakPolarHBondContact O-CB 3.19Å; P705-T709 PolarHBondContact O-N 3.48Å; P705-T709 PolarHBondContact O-OG1 2.99Å |
| 706 | Q | 80.5 | Confident | 74.6 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -73.3 | -45 | 176.4 | -73.6 | 168.7 | -26.9 | 0 | 0 | 111.5 | L702 T703 S704 E708 T709 M710 S830 D831 F834 | L702-Q706 HydrophobicContact CB-CB 4.3Å; L702-Q706 HydrophobicContact CD2-CB 4.3Å; T703-Q706 PolarHBondContact O-N 2.93Å; T703-Q706 VanDerWaalsContact O-N 3.16Å; T703-Q706 VanDerWaalsContact OG1-CG 3.26Å; T703-Q706 WeakPolarHBondContact OG1-CG 3.39Å; T703-Q706 PolarHBondContact OG1-OE1 3.38Å; S704-Q706 VanDerWaalsContact C-N 3.3Å; S704-Q706 PolarHBondContact O-N 3.4Å; Q706-E708 PolarHBondContact O-N 2.92Å; Q706-T709 PolarHBondContact O-N 3.31Å; Q706-M710 VanDerWaalsContact O-CB 3.26Å; Q706-M710 WeakPolarHBondContact O-CB 3.29Å; Q706-M710 PolarHBondContact O-N 3.42Å; Q706-S830 PolarHBondContact NE2-OG 3.06Å; Q706-D831 PolarHBondContact NE2-OD1 2.9Å; Q706-F834 HydrophobicContact CB-CB 4.19Å; Q706-F834 HydrophobicContact CB-CD2 3.5Å; Q706-F834 VanDerWaalsContact CB-CD2 3.5Å; Q706-F834 HydrophobicContact CB-CE2 4.02Å; Q706-F834 HydrophobicContact CB-CG 3.79Å; Q706-F834 HydrophobicContact CG-CB 3.94Å; Q706-F834 HydrophobicContact CG-CD1 3.96Å; Q706-F834 HydrophobicContact CG-CD2 3.86Å; Q706-F834 HydrophobicContact CG-CE1 4.49Å; Q706-F834 HydrophobicContact CG-CE2 4.41Å; Q706-F834 HydrophobicContact CG-CG 3.61Å; Q706-F834 WeakPolarHBondContact O-CD2 3.48Å; Q706-F834 WeakPolarHBondContact O-CE2 3.32Å |
| 707 | R | 74.3 | Confident | 75.4 | Confident | 94 Ų | 94 | 46.3 Ų | 46.3 | 36% | 0.355 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -56.6 | -38.4 | 173 | -72.8 | -171.1 | -74.6 | 144.3 | 2.8 | 110.5 | F699 L702 T703 S704 A711 | F699-R707 HydrophobicContact CE2-CG 4.26Å; F699-R707 HydrophobicContact CZ-CG 4.3Å; L702-R707 HydrophobicContact CB-CG 3.46Å; L702-R707 VanDerWaalsContact CB-CG 3.46Å; L702-R707 HydrophobicContact CD1-CG 4.21Å; L702-R707 PolarHBondContact O-NE 2.83Å; T703-R707 PolarHBondContact O-N 3.46Å; S704-R707 PolarHBondContact O-N 2.82Å; R707-A711 VanDerWaalsContact O-CB 3.27Å; R707-A711 WeakPolarHBondContact O-CB 3.44Å; R707-A711 PolarHBondContact O-N 2.91Å |
| 708 | E | 68.9 | Low | 75.8 | Confident | 77 Ų | 77 | 46 Ų | 46 | 36% | 0.36 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.7 | -60.2 | 176.6 | -79.5 | 174.9 | -140.3 | 0 | 0 | 111.6 | P583 S704 P705 Q706 M710 A711 E712 | P583-E708 HydrophobicContact CB-CB 3.53Å; P583-E708 HydrophobicContact CB-CG 3.57Å; P583-E708 VanDerWaalsContact CD-CA 3.47Å; P583-E708 WeakPolarHBondContact CD-O 3.32Å; P583-E708 VanDerWaalsContact CG-CA 3.44Å; P583-E708 HydrophobicContact CG-CB 3.43Å; P583-E708 VanDerWaalsContact CG-CB 3.43Å; P583-E708 HydrophobicContact CG-CG 3.94Å; P583-E708 WeakPolarHBondContact CG-O 3.46Å; S704-E708 WeakPolarHBondContact O-CB 3.23Å; S704-E708 WeakPolarHBondContact O-CG 3.47Å; S704-E708 PolarHBondContact O-N 3.32Å; S704-E708 PolarHBondContact OG-OE1 2.96Å; P705-E708 WeakPolarHBondContact O-CB 3.19Å; Q706-E708 PolarHBondContact O-N 2.92Å; E708-M710 PolarHBondContact O-N 3.31Å; E708-A711 WeakPolarHBondContact O-CA 3.26Å; E708-A711 WeakPolarHBondContact O-CB 3.46Å; E708-A711 PolarHBondContact O-N 3.43Å; E708-E712 PolarHBondContact O-N 3.46Å |
| 709 | T | 75.5 | Confident | 76.3 | Confident | 65 Ų | 65 | 48.8 Ų | 48.8 | 40% | 0.399 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.8 | -37.2 | -177.9 | -52.1 | 0 | 0 | 0 | 0 | 112.2 | P705 Q706 A711 E712 E713 F834 | P705-T709 PolarHBondContact O-N 3.48Å; P705-T709 PolarHBondContact O-OG1 2.99Å; Q706-T709 PolarHBondContact O-N 3.31Å; T709-A711 VanDerWaalsContact C-N 3.29Å; T709-A711 PolarHBondContact O-N 3.31Å; T709-E712 PolarHBondContact O-N 3.05Å; T709-E713 PolarHBondContact O-N 3.47Å; T709-F834 VanDerWaalsContact CB-CZ 3.49Å; T709-F834 HydrophobicContact CG2-CE2 4.24Å; T709-F834 HydrophobicContact CG2-CZ 3.63Å |
| 710 | M | 76.3 | Confident | 76.9 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.03 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.3 | -35.1 | 176.5 | -176.8 | -177.5 | 177.2 | 0 | 0 | 112.6 | L702 Q706 E708 L714 I756 F834 A837 I841 | L702-M710 HydrophobicContact CD1-CE 4.44Å; L702-M710 HydrophobicContact CD1-SD 3.35Å; L702-M710 WeakPolarHBondContact CD1-SD 3.32Å; Q706-M710 VanDerWaalsContact O-CB 3.26Å; Q706-M710 WeakPolarHBondContact O-CB 3.29Å; Q706-M710 PolarHBondContact O-N 3.42Å; E708-M710 PolarHBondContact O-N 3.31Å; M710-L714 WeakPolarHBondContact O-CB 3.36Å; M710-L714 PolarHBondContact O-N 3.44Å; M710-I756 HydrophobicContact CE-CB 3.37Å; M710-I756 HydrophobicContact CE-CD1 3.57Å; M710-I756 HydrophobicContact CE-CG1 3.38Å; M710-I756 VanDerWaalsContact CE-O 3.29Å; M710-I756 WeakPolarHBondContact CE-O 3.2Å; M710-F834 HydrophobicContact CB-CD2 4.46Å; M710-F834 HydrophobicContact CB-CE2 4.13Å; M710-A837 HydrophobicContact CE-CB 3.93Å; M710-A837 HydrophobicContact SD-CB 4.32Å; M710-I841 HydrophobicContact CG-CD1 3.89Å |
| 711 | A | 70.3 | Confident | 77.5 | Confident | 10 Ų | 10 | 45.3 Ų | 45.3 | 8% | 0.083 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L582 R707 E708 T709 L714 A715 | L582-A711 HydrophobicContact CB-CB 3.77Å; L582-A711 HydrophobicContact CD2-CB 3.14Å; L582-A711 VanDerWaalsContact CD2-O 3.26Å; L582-A711 WeakPolarHBondContact CD2-O 3.39Å; L582-A711 HydrophobicContact CG-CB 3.74Å; R707-A711 VanDerWaalsContact O-CB 3.27Å; R707-A711 WeakPolarHBondContact O-CB 3.44Å; R707-A711 PolarHBondContact O-N 2.91Å; E708-A711 WeakPolarHBondContact O-CA 3.26Å; E708-A711 WeakPolarHBondContact O-CB 3.46Å; E708-A711 PolarHBondContact O-N 3.43Å; T709-A711 VanDerWaalsContact C-N 3.29Å; T709-A711 PolarHBondContact O-N 3.31Å; A711-L714 PolarHBondContact O-N 2.98Å; A711-A715 PolarHBondContact O-N 3.43Å |
| 712 | E | 75.3 | Confident | 77.3 | Confident | 63 Ų | 63 | 49.3 Ų | 49.3 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 175.9 | -61.1 | -167.5 | 178.7 | 0 | 0 | 112.5 | P583 N585 E708 T709 L714 A715 G716 | P583-E712 HydrophobicContact CG-CG 3.62Å; N585-E712 WeakPolarHBondContact CB-OE1 3.32Å; N585-E712 PolarHBondContact ND2-OE2 3.46Å; E708-E712 PolarHBondContact O-N 3.46Å; T709-E712 PolarHBondContact O-N 3.05Å; E712-L714 PolarHBondContact O-N 3.24Å; E712-A715 PolarHBondContact O-N 2.85Å; E712-G716 PolarHBondContact O-N 3.23Å |
| 713 | E | 81.3 | Confident | 77.4 | Confident | 60 Ų | 60 | 54.3 Ų | 54.3 | 28% | 0.28 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.9 | -42.3 | 176 | -73.3 | -59.6 | 154.4 | 0 | 0 | 111 | T709 G716 F717 T838 I841 Q842 | T709-E713 PolarHBondContact O-N 3.47Å; E713-G716 PolarHBondContact O-N 3.07Å; E713-F717 PolarHBondContact O-N 3.24Å; E713-T838 HydrophobicContact CG-CG2 4.37Å; E713-I841 HydrophobicContact CB-CB 4.41Å; E713-I841 HydrophobicContact CB-CD1 4.12Å; E713-I841 HydrophobicContact CB-CG2 3.98Å; E713-I841 WeakPolarHBondContact O-CG2 3.32Å; E713-Q842 PolarHBondContact OE2-OE1 3.13Å |
| 714 | L | 79.7 | Confident | 77.8 | Confident | 10 Ų | 10 | 51.2 Ų | 51.2 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.9 | -41.8 | 177.7 | -175.6 | 71.6 | 0 | 0 | 0 | 112.4 | M710 A711 E712 G716 F717 L718 R757 I841 | M710-L714 WeakPolarHBondContact O-CB 3.36Å; M710-L714 PolarHBondContact O-N 3.44Å; A711-L714 PolarHBondContact O-N 2.98Å; E712-L714 PolarHBondContact O-N 3.24Å; L714-G716 PolarHBondContact O-N 3.38Å; L714-F717 HydrophobicContact CD1-CD1 4.21Å; L714-F717 WeakPolarHBondContact O-CB 3.35Å; L714-F717 PolarHBondContact O-N 3.36Å; L714-F717 VanDerWaalsContact O-N 3.1Å; L714-L718 HydrophobicContact CG-CD1 4.35Å; L714-L718 HydrophobicContact CG-CG 4.45Å; L714-L718 WeakPolarHBondContact O-CG 3.47Å; L714-L718 PolarHBondContact O-N 3.46Å; L714-R757 VanDerWaalsContact CD2-CD 3.42Å; L714-R757 HydrophobicContact CD2-CG 4.18Å; L714-I841 HydrophobicContact CB-CD1 4.39Å |
| 715 | A | 76.5 | Confident | 77.8 | Confident | 51 Ų | 51 | 51.6 Ų | 51.6 | 42% | 0.421 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.5 | -41.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | A711 E712 L718 A719 | A711-A715 PolarHBondContact O-N 3.43Å; E712-A715 PolarHBondContact O-N 2.85Å; A715-L718 PolarHBondContact O-N 3.18Å; A715-A719 WeakPolarHBondContact O-CB 3.27Å; A715-A719 PolarHBondContact O-N 3.18Å |
| 716 | G | 78.7 | Confident | 77.9 | Confident | 22 Ų | 22 | 53.8 Ų | 53.8 | 23% | 0.227 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E712 E713 L714 E720 | E712-G716 PolarHBondContact O-N 3.23Å; E713-G716 PolarHBondContact O-N 3.07Å; L714-G716 PolarHBondContact O-N 3.38Å; G716-E720 PolarHBondContact O-N 3.04Å |
| 717 | F | 83.9 | Confident | 77.9 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 174.7 | 171.5 | -99.5 | 0 | 0 | 0 | 112.6 | E713 L714 A719 E720 K721 M749 M750 T753 I841 A844 K845 M848 | E713-F717 PolarHBondContact O-N 3.24Å; L714-F717 HydrophobicContact CD1-CD1 4.21Å; L714-F717 WeakPolarHBondContact O-CB 3.35Å; L714-F717 PolarHBondContact O-N 3.36Å; L714-F717 VanDerWaalsContact O-N 3.1Å; F717-A719 VanDerWaalsContact C-N 3.35Å; F717-A719 PolarHBondContact O-N 3.21Å; F717-E720 PolarHBondContact O-N 3.05Å; F717-K721 PolarHBondContact O-N 2.92Å; F717-M749 HydrophobicContact CE2-CB 4.37Å; F717-M749 HydrophobicContact CZ-CB 4.13Å; F717-M750 HydrophobicContact CD1-SD 4.43Å; F717-M750 HydrophobicContact CE1-CG 4.42Å; F717-M750 HydrophobicContact CE1-SD 3.5Å; F717-M750 WeakPolarHBondContact CE1-SD 3.43Å; F717-M750 HydrophobicContact CZ-SD 4.15Å; F717-T753 HydrophobicContact CD1-CG2 4.16Å; F717-T753 HydrophobicContact CE1-CG2 3.9Å; F717-T753 WeakPolarHBondContact CE1-OG1 3.35Å; F717-T753 HydrophobicContact CE2-CG2 4.29Å; F717-T753 HydrophobicContact CG-CG2 4.45Å; F717-T753 HydrophobicContact CZ-CG2 3.97Å; F717-I841 HydrophobicContact CB-CG2 3.78Å; F717-I841 HydrophobicContact CG-CG2 4.42Å; F717-A844 HydrophobicContact CD2-CB 4.17Å; F717-A844 HydrophobicContact CE2-CB 3.67Å; F717-A844 HydrophobicContact CZ-CB 4.46Å; F717-K845 HydrophobicContact CB-CB 4.45Å; F717-K845 HydrophobicContact CD2-CB 3.97Å; F717-M848 HydrophobicContact CD2-CE 4.38Å; F717-M848 HydrophobicContact CE2-CE 3.45Å; F717-M848 VanDerWaalsContact CE2-CE 3.45Å; F717-M848 HydrophobicContact CE2-SD 4.42Å; F717-M848 HydrophobicContact CZ-CE 3.53Å |
| 718 | L | 79.1 | Confident | 78.3 | Confident | 58 Ų | 58 | 51.2 Ų | 51.2 | 30% | 0.304 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.6 | -35.5 | 179 | -69.1 | 176.7 | 0 | 0 | 0 | 112.4 | L714 A715 E720 K721 K722 M750 | L714-L718 HydrophobicContact CG-CD1 4.35Å; L714-L718 HydrophobicContact CG-CG 4.45Å; L714-L718 WeakPolarHBondContact O-CG 3.47Å; L714-L718 PolarHBondContact O-N 3.46Å; A715-L718 PolarHBondContact O-N 3.18Å; L718-E720 VanDerWaalsContact C-N 3.34Å; L718-K721 HydrophobicContact CD2-CD 4.5Å; L718-K721 WeakPolarHBondContact O-CB 3.49Å; L718-K721 PolarHBondContact O-N 3.25Å; L718-K722 WeakPolarHBondContact O-CG 3.01Å; L718-K722 PolarHBondContact O-N 2.72Å; L718-M750 HydrophobicContact CD2-CE 3.92Å; L718-M750 HydrophobicContact CD2-SD 3.9Å |
| 719 | A | 79.4 | Confident | 78.7 | Confident | 60 Ų | 60 | 50.8 Ų | 50.8 | 50% | 0.496 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A715 F717 K722 R723 | A715-A719 WeakPolarHBondContact O-CB 3.27Å; A715-A719 PolarHBondContact O-N 3.18Å; F717-A719 VanDerWaalsContact C-N 3.35Å; F717-A719 PolarHBondContact O-N 3.21Å; A719-K722 PolarHBondContact O-N 3.43Å; A719-R723 PolarHBondContact O-N 3.01Å; A719-R723 VanDerWaalsContact O-N 3.1Å |
| 720 | E | 83.2 | Confident | 78.9 | Confident | 22 Ų | 22 | 51.7 Ų | 51.7 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 176.3 | -167.4 | 62 | -164.2 | 0 | 0 | 111.8 | G716 F717 L718 K722 R723 F724 K845 M848 T849 | G716-E720 PolarHBondContact O-N 3.04Å; F717-E720 PolarHBondContact O-N 3.05Å; L718-E720 VanDerWaalsContact C-N 3.34Å; E720-K722 PolarHBondContact O-N 3.34Å; E720-R723 WeakPolarHBondContact O-CB 3.47Å; E720-R723 PolarHBondContact O-N 3.08Å; E720-R723 VanDerWaalsContact O-N 3.13Å; E720-R723 IonicContact OE1-NH1 2.83Å; E720-R723 IonicContact OE2-NH1 3.81Å; E720-F724 WeakPolarHBondContact O-CB 3.49Å; E720-F724 PolarHBondContact O-N 2.94Å; E720-K845 HydrophobicContact CB-CG 4.15Å; E720-K845 HydrophobicContact CG-CG 4.31Å; E720-M848 HydrophobicContact CG-SD 4.41Å; E720-T849 WeakPolarHBondContact CG-OG1 3.23Å; E720-T849 WeakPolarHBondContact OE1-CA 3.27Å; E720-T849 WeakPolarHBondContact OE1-CB 3.48Å; E720-T849 PolarHBondContact OE1-OG1 3.47Å |
| 721 | K | 84.7 | Confident | 79.2 | Confident | 66 Ų | 66 | 52.9 Ų | 52.9 | 29% | 0.287 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.3 | -45.3 | 171.4 | -175.9 | -141.6 | -172.9 | 159.7 | 0 | 112.2 | F717 L718 R723 F724 M725 M750 M848 | F717-K721 PolarHBondContact O-N 2.92Å; L718-K721 HydrophobicContact CD2-CD 4.5Å; L718-K721 WeakPolarHBondContact O-CB 3.49Å; L718-K721 PolarHBondContact O-N 3.25Å; K721-R723 VanDerWaalsContact C-N 3.31Å; K721-R723 PolarHBondContact O-N 3.27Å; K721-F724 WeakPolarHBondContact O-CB 3.49Å; K721-F724 PolarHBondContact O-N 3.16Å; K721-M725 HydrophobicContact CG-CG 4.38Å; K721-M725 WeakPolarHBondContact O-CB 3.39Å; K721-M725 WeakPolarHBondContact O-CG 3.26Å; K721-M725 PolarHBondContact O-N 2.93Å; K721-M750 HydrophobicContact CD-CG 4.13Å; K721-M750 HydrophobicContact CD-SD 3.46Å; K721-M750 WeakPolarHBondContact CD-SD 3.03Å; K721-M750 VanDerWaalsContact CE-SD 3.54Å; K721-M750 HydrophobicContact CG-CG 4.39Å; K721-M750 HydrophobicContact CG-SD 4.02Å; K721-M750 PolarHBondContact NZ-SD 3.43Å; K721-M750 VanDerWaalsContact NZ-SD 3.39Å; K721-M848 WeakPolarHBondContact CA-SD 3.45Å; K721-M848 HydrophobicContact CB-CE 4.21Å; K721-M848 HydrophobicContact CB-SD 3.85Å; K721-M848 HydrophobicContact CG-CE 4.44Å; K721-M848 HydrophobicContact CG-SD 4.48Å; K721-M848 PolarHBondContact N-SD 2.92Å; K721-M848 VanDerWaalsContact N-SD 3.44Å |
| 722 | K | 71.1 | Confident | 79.5 | Confident | 149 Ų | 149 | 53.4 Ų | 53.4 | 65% | 0.648 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -60.5 | -42.4 | 176 | -72.3 | 178.8 | -179.5 | -179 | 0 | 110.9 | L718 A719 E720 R726 | L718-K722 WeakPolarHBondContact O-CG 3.01Å; L718-K722 PolarHBondContact O-N 2.72Å; A719-K722 PolarHBondContact O-N 3.43Å; E720-K722 PolarHBondContact O-N 3.34Å; K722-R726 WeakPolarHBondContact O-CG 3.14Å; K722-R726 PolarHBondContact O-N 2.9Å; K722-R726 VanDerWaalsContact O-N 3.11Å |
| 723 | R | 80.1 | Confident | 79.8 | Confident | 112 Ų | 112 | 52.4 Ų | 52.4 | 42% | 0.423 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 175.3 | -172.3 | -174 | -173.3 | -175.5 | 6 | 111.9 | A719 E720 K721 R726 E727 | A719-R723 PolarHBondContact O-N 3.01Å; A719-R723 VanDerWaalsContact O-N 3.1Å; E720-R723 WeakPolarHBondContact O-CB 3.47Å; E720-R723 PolarHBondContact O-N 3.08Å; E720-R723 VanDerWaalsContact O-N 3.13Å; E720-R723 IonicContact OE1-NH1 2.83Å; E720-R723 IonicContact OE2-NH1 3.81Å; K721-R723 VanDerWaalsContact C-N 3.31Å; K721-R723 PolarHBondContact O-N 3.27Å; R723-R726 PolarHBondContact O-N 3.04Å; R723-E727 PolarHBondContact O-N 2.97Å |
| 724 | F | 87.2 | Confident | 79.4 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.9 | -54.4 | 176.9 | -178.4 | -85.7 | 0 | 0 | 0 | 111.4 | E720 K721 R726 E727 I728 A742 C746 M848 V851 V852 | E720-F724 WeakPolarHBondContact O-CB 3.49Å; E720-F724 PolarHBondContact O-N 2.94Å; K721-F724 WeakPolarHBondContact O-CB 3.49Å; K721-F724 PolarHBondContact O-N 3.16Å; F724-R726 VanDerWaalsContact C-N 3.34Å; F724-R726 PolarHBondContact O-N 3.17Å; F724-E727 PolarHBondContact O-N 2.97Å; F724-I728 HydrophobicContact CD1-CB 4.5Å; F724-I728 HydrophobicContact CD1-CG1 3.78Å; F724-I728 HydrophobicContact CE1-CB 4.26Å; F724-I728 HydrophobicContact CE1-CD1 4.46Å; F724-I728 HydrophobicContact CE1-CG1 3.46Å; F724-I728 VanDerWaalsContact CE1-CG1 3.46Å; F724-I728 HydrophobicContact CE2-CG1 4.26Å; F724-I728 HydrophobicContact CG-CG1 4.31Å; F724-I728 HydrophobicContact CZ-CD1 4.27Å; F724-I728 HydrophobicContact CZ-CG1 3.73Å; F724-I728 WeakPolarHBondContact O-CG1 3.44Å; F724-I728 PolarHBondContact O-N 2.96Å; F724-A742 HydrophobicContact CZ-CB 3.85Å; F724-A742 VanDerWaalsContact CZ-O 3.31Å; F724-A742 WeakPolarHBondContact CZ-O 3.35Å; F724-C746 HydrophobicContact CD1-CB 3.94Å; F724-C746 HydrophobicContact CE1-CB 3.41Å; F724-C746 VanDerWaalsContact CE1-CB 3.41Å; F724-C746 HydrophobicContact CZ-CB 4Å; F724-M848 HydrophobicContact CB-CG 3.78Å; F724-M848 HydrophobicContact CB-SD 3.94Å; F724-M848 HydrophobicContact CD2-CG 3.41Å; F724-M848 VanDerWaalsContact CD2-CG 3.41Å; F724-M848 WeakPolarHBondContact CD2-O 3.21Å; F724-M848 HydrophobicContact CE2-CG 4.1Å; F724-M848 HydrophobicContact CG-CG 3.68Å; F724-M848 HydrophobicContact CG-SD 4.26Å; F724-V851 HydrophobicContact CE2-CB 3.92Å; F724-V851 HydrophobicContact CE2-CG1 3.66Å; F724-V851 HydrophobicContact CZ-CG1 3.99Å; F724-V852 HydrophobicContact CD2-CB 3.71Å; F724-V852 HydrophobicContact CD2-CG1 4.38Å; F724-V852 HydrophobicContact CE2-CB 4.2Å |
| 725 | M | 72.2 | Confident | 79.3 | Confident | 68 Ų | 68 | 56.1 Ų | 56.1 | 34% | 0.335 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | -176.3 | -72.2 | -60.5 | -69.8 | 0 | 0 | 112.6 | K721 E727 I728 V729 | K721-M725 HydrophobicContact CG-CG 4.38Å; K721-M725 WeakPolarHBondContact O-CB 3.39Å; K721-M725 WeakPolarHBondContact O-CG 3.26Å; K721-M725 PolarHBondContact O-N 2.93Å; M725-E727 PolarHBondContact O-N 3.47Å; M725-I728 PolarHBondContact O-N 3.32Å; M725-V729 HydrophobicContact CE-CG2 3.76Å; M725-V729 WeakPolarHBondContact O-CB 3.3Å; M725-V729 VanDerWaalsContact O-CG2 3.31Å; M725-V729 WeakPolarHBondContact O-CG2 3.29Å; M725-V729 PolarHBondContact O-N 3.45Å |
| 726 | R | 78 | Confident | 79.7 | Confident | 126 Ų | 126 | 53.7 Ų | 53.7 | 48% | 0.475 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -55.8 | -38.1 | 173.4 | -80.2 | -169.3 | -66.2 | -157.7 | 0.2 | 112.1 | T390 K722 R723 F724 K730 | T390-R726 PolarHBondContact OG1-NH1 3.48Å; T390-R726 VanDerWaalsContact OG1-NH1 3.09Å; K722-R726 WeakPolarHBondContact O-CG 3.14Å; K722-R726 PolarHBondContact O-N 2.9Å; K722-R726 VanDerWaalsContact O-N 3.11Å; R723-R726 PolarHBondContact O-N 3.04Å; F724-R726 VanDerWaalsContact C-N 3.34Å; F724-R726 PolarHBondContact O-N 3.17Å; R726-K730 WeakPolarHBondContact O-CD 3.48Å; R726-K730 WeakPolarHBondContact O-CE 3.23Å; R726-K730 WeakPolarHBondContact O-CG 3.29Å |
| 727 | E | 80.4 | Confident | 80.2 | Confident | 50 Ų | 50 | 55.7 Ų | 55.7 | 23% | 0.234 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -79.2 | -38.2 | 178.2 | -65.6 | -52.7 | 133.7 | 0 | 0 | 113 | R723 F724 M725 K730 W731 V852 K856 | R723-E727 PolarHBondContact O-N 2.97Å; F724-E727 PolarHBondContact O-N 2.97Å; M725-E727 PolarHBondContact O-N 3.47Å; E727-K730 IonicContact OE1-NZ 3.55Å; E727-K730 PolarHBondContact OE1-NZ 3.36Å; E727-K730 IonicContact OE2-NZ 2.8Å; E727-K730 PolarHBondContact OE2-NZ 3.15Å; E727-W731 PolarHBondContact O-NE1 3.05Å; E727-W731 VanDerWaalsContact O-NE1 3.12Å; E727-V852 HydrophobicContact CB-CG2 3.71Å; E727-V852 HydrophobicContact CG-CG2 3.92Å; E727-K856 HydrophobicContact CG-CD 4.44Å |
| 728 | I | 82.2 | Confident | 80.7 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -77 | -37.3 | -173.7 | -64.5 | -52.9 | 0 | 0 | 0 | 113.3 | F724 M725 K730 W731 I739 A742 K743 V855 | F724-I728 HydrophobicContact CD1-CB 4.5Å; F724-I728 HydrophobicContact CD1-CG1 3.78Å; F724-I728 HydrophobicContact CE1-CB 4.26Å; F724-I728 HydrophobicContact CE1-CD1 4.46Å; F724-I728 HydrophobicContact CE1-CG1 3.46Å; F724-I728 VanDerWaalsContact CE1-CG1 3.46Å; F724-I728 HydrophobicContact CE2-CG1 4.26Å; F724-I728 HydrophobicContact CG-CG1 4.31Å; F724-I728 HydrophobicContact CZ-CD1 4.27Å; F724-I728 HydrophobicContact CZ-CG1 3.73Å; F724-I728 WeakPolarHBondContact O-CG1 3.44Å; F724-I728 PolarHBondContact O-N 2.96Å; M725-I728 PolarHBondContact O-N 3.32Å; I728-K730 PolarHBondContact O-N 2.83Å; I728-W731 PolarHBondContact O-N 3.19Å; I728-I739 HydrophobicContact CD1-CD1 4.26Å; I728-I739 HydrophobicContact CG2-CG2 4.06Å; I728-A742 HydrophobicContact CD1-CB 3.95Å; I728-A742 HydrophobicContact CG1-CB 4.47Å; I728-K743 HydrophobicContact CG2-CD 4.16Å; I728-K743 HydrophobicContact CG2-CG 3.4Å; I728-K743 VanDerWaalsContact CG2-CG 3.4Å; I728-V855 HydrophobicContact CD1-CB 4.08Å; I728-V855 HydrophobicContact CD1-CG1 3.8Å; I728-V855 HydrophobicContact CD1-CG2 3.81Å |
| 729 | V | 78.5 | Confident | 81.2 | Confident | 68 Ų | 68 | 52.9 Ų | 52.9 | 41% | 0.412 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -21.1 | -175.4 | 171.9 | 0 | 0 | 0 | 0 | 113 | M725 W731 | M725-V729 HydrophobicContact CE-CG2 3.76Å; M725-V729 WeakPolarHBondContact O-CB 3.3Å; M725-V729 VanDerWaalsContact O-CG2 3.31Å; M725-V729 WeakPolarHBondContact O-CG2 3.29Å; M725-V729 PolarHBondContact O-N 3.45Å; V729-W731 PolarHBondContact O-N 3.44Å |
| 730 | K | 79.6 | Confident | 81.6 | Confident | 85 Ų | 85 | 52 Ų | 52 | 37% | 0.37 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -26.1 | 177.2 | -63.6 | 168.5 | -177.1 | 164.8 | 0 | 113 | R726 E727 I728 R880 | R726-K730 WeakPolarHBondContact O-CD 3.48Å; R726-K730 WeakPolarHBondContact O-CE 3.23Å; R726-K730 WeakPolarHBondContact O-CG 3.29Å; E727-K730 IonicContact OE1-NZ 3.55Å; E727-K730 PolarHBondContact OE1-NZ 3.36Å; E727-K730 IonicContact OE2-NZ 2.8Å; E727-K730 PolarHBondContact OE2-NZ 3.15Å; I728-K730 PolarHBondContact O-N 2.83Å; K730-R880 PolarHBondContact O-N 3.46Å |
| 731 | W | 81.6 | Confident | 82.1 | Confident | 30 Ų | 30 | 51.3 Ų | 51.3 | 11% | 0.114 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -94.7 | 139 | -171.7 | -56.2 | 101.5 | 0 | 0 | 0 | 111.8 | E727 I728 V729 I739 Y859 W877 | E727-W731 PolarHBondContact O-NE1 3.05Å; E727-W731 VanDerWaalsContact O-NE1 3.12Å; I728-W731 PolarHBondContact O-N 3.19Å; V729-W731 PolarHBondContact O-N 3.44Å; W731-I739 HydrophobicContact CB-CD1 3.74Å; W731-I739 HydrophobicContact CB-CG1 3.7Å; W731-I739 HydrophobicContact CB-CG2 4.12Å; W731-I739 HydrophobicContact CG-CD1 3.71Å; W731-I739 HydrophobicContact CG-CG1 4.16Å; W731-Y859 AromaticContact CH2-CD1 3.95Å; W731-Y859 HydrophobicContact CH2-CD1 3.95Å; W731-Y859 AromaticContact CH2-CD2 3.28Å; W731-Y859 HydrophobicContact CH2-CD2 3.28Å; W731-Y859 AromaticContact CH2-CE1 3.98Å; W731-Y859 HydrophobicContact CH2-CE1 3.98Å; W731-Y859 AromaticContact CH2-CE2 3.31Å; W731-Y859 HydrophobicContact CH2-CE2 3.31Å; W731-Y859 AromaticContact CH2-CG 3.61Å; W731-Y859 HydrophobicContact CH2-CG 3.61Å; W731-Y859 AromaticContact CH2-CZ 3.67Å; W731-Y859 HydrophobicContact CZ2-CD1 4.23Å; W731-Y859 HydrophobicContact CZ2-CD2 4.07Å; W731-Y859 HydrophobicContact CZ2-CE2 4.41Å; W731-Y859 AromaticContact CZ2-CG 3.97Å; W731-Y859 HydrophobicContact CZ2-CG 3.97Å; W731-Y859 AromaticContact CZ3-CD2 3.7Å; W731-Y859 HydrophobicContact CZ3-CD2 3.7Å; W731-Y859 AromaticContact CZ3-CE2 3.66Å; W731-Y859 HydrophobicContact CZ3-CE2 3.66Å; W731-Y859 HydrophobicContact CZ3-CG 4.42Å; W731-W877 AromaticContact CD2-CE3 3.95Å; W731-W877 HydrophobicContact CD2-CE3 3.95Å; W731-W877 HydrophobicContact CD2-CZ3 4.1Å; W731-W877 AromaticContact CE3-CE3 3.71Å; W731-W877 HydrophobicContact CE3-CE3 3.71Å; W731-W877 HydrophobicContact CE3-CZ3 4.33Å; W731-W877 HydrophobicContact CG-CZ3 4.49Å; W731-W877 HydrophobicContact CH2-CE3 4.26Å; W731-W877 HydrophobicContact CZ2-CE3 4.45Å; W731-W877 HydrophobicContact CZ3-CB 4.34Å; W731-W877 AromaticContact CZ3-CE3 3.87Å; W731-W877 HydrophobicContact CZ3-CE3 3.87Å |
| 732 | D | 77.1 | Confident | 82.5 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 12% | 0.118 | 24% | 0.241 | C | C | . | . | trans | -66.9 | 130.9 | 163.2 | 179.8 | 48.8 | 0 | 0 | 0 | 109.2 | S734 N736 Q878 | D732-S734 PolarHBondContact OD1-N 3.19Å; D732-S734 PolarHBondContact OD1-OG 3.49Å; D732-S734 WeakPolarHBondContact OD2-CB 3.15Å; D732-S734 PolarHBondContact OD2-N 2.91Å; D732-S734 PolarHBondContact OD2-OG 3.04Å; D732-N736 WeakPolarHBondContact O-CB 3.28Å; D732-Q878 HydrophobicContact CB-CB 4.15Å; D732-Q878 PolarHBondContact N-O 3.37Å | ||
| 733 | D | 81.9 | Confident | 83.3 | Confident | 42 Ų | 42 | 43 Ų | 43 | 23% | 0.225 | 22% | 0.219 | C | C | . | . | trans | -99.3 | -6.6 | 179.3 | 47.8 | -21.8 | 0 | 0 | 0 | 113 | A735 N736 I739 V740 K743 R880 | D733-A735 VanDerWaalsContact C-N 3.28Å; D733-A735 PolarHBondContact O-N 2.73Å; D733-N736 PolarHBondContact O-N 3.37Å; D733-I739 HydrophobicContact CB-CB 4.33Å; D733-I739 HydrophobicContact CB-CG2 3.86Å; D733-V740 HydrophobicContact CB-CG2 3.81Å; D733-V740 WeakPolarHBondContact O-CG2 3.35Å; D733-K743 IonicContact OD1-NZ 3.44Å; D733-K743 IonicContact OD2-NZ 3.06Å; D733-K743 PolarHBondContact OD2-NZ 2.98Å; D733-R880 IonicContact OD1-CZ 2.92Å; D733-R880 IonicContact OD1-NH2 2.71Å; D733-R880 PolarHBondContact OD1-NH2 3.36Å; D733-R880 IonicContact OD2-NH2 2.84Å; D733-R880 PolarHBondContact OD2-NH2 3.29Å | ||
| 734 | S | 73.4 | Confident | 83.9 | Confident | 104 Ų | 104 | 42.4 Ų | 42.4 | 73% | 0.727 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -35.1 | -176.7 | -50.2 | 0 | 0 | 0 | 0 | 113.3 | D732 | D732-S734 PolarHBondContact OD1-N 3.19Å; D732-S734 PolarHBondContact OD1-OG 3.49Å; D732-S734 WeakPolarHBondContact OD2-CB 3.15Å; D732-S734 PolarHBondContact OD2-N 2.91Å; D732-S734 PolarHBondContact OD2-OG 3.04Å |
| 735 | A | 77.4 | Confident | 84.3 | Confident | 44 Ų | 44 | 42.4 Ų | 42.4 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | 22.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D733 Q876 | D733-A735 VanDerWaalsContact C-N 3.28Å; D733-A735 PolarHBondContact O-N 2.73Å; A735-Q876 HydrophobicContact CB-CB 4.15Å; A735-Q876 PolarHBondContact O-N 3.38Å; A735-Q876 VanDerWaalsContact O-N 3.1Å |
| 736 | N | 84.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -133.6 | 85 | -177.7 | -163.4 | -26.1 | 0 | 0 | 0 | 111.7 | D732 D733 I738 I739 V740 W877 | D732-N736 WeakPolarHBondContact O-CB 3.28Å; D733-N736 PolarHBondContact O-N 3.37Å; N736-I738 PolarHBondContact O-N 3.2Å; N736-I738 VanDerWaalsContact O-N 3.13Å; N736-I738 WeakPolarHBondContact OD1-CB 3.27Å; N736-I738 PolarHBondContact OD1-N 2.9Å; N736-I739 HydrophobicContact CB-CB 4.28Å; N736-I739 HydrophobicContact CB-CG1 4.02Å; N736-I739 VanDerWaalsContact CG-CG1 3.5Å; N736-I739 WeakPolarHBondContact O-CB 3.4Å; N736-I739 PolarHBondContact O-N 3.14Å; N736-I739 PolarHBondContact OD1-N 3.35Å; N736-V740 PolarHBondContact O-N 2.97Å; N736-V740 VanDerWaalsContact O-N 3.17Å; N736-W877 VanDerWaalsContact ND2-CE3 3.29Å; N736-W877 WeakPolarHBondContact ND2-CZ3 3.45Å | ||
| 737 | D | 89.6 | Confident | 85.7 | Confident | 63 Ų | 63 | 37.1 Ų | 37.1 | 34% | 0.337 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -56.2 | -29 | 178.3 | -87.5 | 8.3 | 0 | 0 | 0 | 113 | I739 V740 L741 R781 L785 | D737-I739 VanDerWaalsContact C-N 3.33Å; D737-I739 PolarHBondContact O-N 3.02Å; D737-V740 PolarHBondContact O-N 3.44Å; D737-L741 WeakPolarHBondContact O-CB 3.26Å; D737-L741 WeakPolarHBondContact O-CD1 3.49Å; D737-L741 WeakPolarHBondContact O-CG 3.46Å; D737-L741 PolarHBondContact O-N 3.11Å; D737-R781 IonicContact OD2-CZ 2.87Å; D737-R781 IonicContact OD2-NH2 2.65Å; D737-R781 PolarHBondContact OD2-NH2 3.01Å; D737-L785 HydrophobicContact CB-CD1 3.63Å |
| 738 | I | 93.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.5 | -43.2 | 177.3 | -61.9 | 170.8 | 0 | 0 | 0 | 109.8 | N736 L741 A742 L782 L785 I789 V855 V875 W877 | N736-I738 PolarHBondContact O-N 3.2Å; N736-I738 VanDerWaalsContact O-N 3.13Å; N736-I738 WeakPolarHBondContact OD1-CB 3.27Å; N736-I738 PolarHBondContact OD1-N 2.9Å; I738-L741 PolarHBondContact O-N 3.12Å; I738-A742 WeakPolarHBondContact O-CB 3.39Å; I738-A742 PolarHBondContact O-N 3.34Å; I738-L782 HydrophobicContact CG2-CD1 4.35Å; I738-L785 HydrophobicContact CD1-CB 4.29Å; I738-L785 HydrophobicContact CG1-CB 3.93Å; I738-L785 HydrophobicContact CG1-CD1 3.98Å; I738-I789 HydrophobicContact CD1-CD1 3.56Å; I738-V855 HydrophobicContact CG2-CG2 3.95Å; I738-V875 HydrophobicContact CD1-CG1 4.13Å; I738-V875 HydrophobicContact CD1-CG2 3.89Å; I738-V875 HydrophobicContact CG1-CG1 4.09Å; I738-W877 HydrophobicContact CD1-CZ2 4.26Å |
| 739 | I | 89.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.1 | -42.1 | 178 | -60.7 | -61.6 | 0 | 0 | 0 | 110.8 | I728 W731 D733 N736 D737 L741 A742 K743 V855 W877 | I728-I739 HydrophobicContact CD1-CD1 4.26Å; I728-I739 HydrophobicContact CG2-CG2 4.06Å; W731-I739 HydrophobicContact CB-CD1 3.74Å; W731-I739 HydrophobicContact CB-CG1 3.7Å; W731-I739 HydrophobicContact CB-CG2 4.12Å; W731-I739 HydrophobicContact CG-CD1 3.71Å; W731-I739 HydrophobicContact CG-CG1 4.16Å; D733-I739 HydrophobicContact CB-CB 4.33Å; D733-I739 HydrophobicContact CB-CG2 3.86Å; N736-I739 HydrophobicContact CB-CB 4.28Å; N736-I739 HydrophobicContact CB-CG1 4.02Å; N736-I739 VanDerWaalsContact CG-CG1 3.5Å; N736-I739 WeakPolarHBondContact O-CB 3.4Å; N736-I739 PolarHBondContact O-N 3.14Å; N736-I739 PolarHBondContact OD1-N 3.35Å; D737-I739 VanDerWaalsContact C-N 3.33Å; D737-I739 PolarHBondContact O-N 3.02Å; I739-L741 VanDerWaalsContact C-N 3.33Å; I739-L741 PolarHBondContact O-N 3.29Å; I739-A742 PolarHBondContact O-N 3.05Å; I739-K743 HydrophobicContact CG2-CD 4.42Å; I739-K743 WeakPolarHBondContact O-CG 3.26Å; I739-K743 PolarHBondContact O-N 3.43Å; I739-V855 HydrophobicContact CD1-CG1 3.53Å; I739-W877 HydrophobicContact CD1-CH2 4.5Å; I739-W877 HydrophobicContact CD1-CZ3 4Å; I739-W877 HydrophobicContact CG1-CZ3 4.37Å |
| 740 | V | 87.7 | Confident | 87.4 | Confident | 41 Ų | 41 | 32.9 Ų | 32.9 | 25% | 0.248 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.2 | -48.1 | 174.8 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | D733 N736 D737 K743 K744 | D733-V740 HydrophobicContact CB-CG2 3.81Å; D733-V740 WeakPolarHBondContact O-CG2 3.35Å; N736-V740 PolarHBondContact O-N 2.97Å; N736-V740 VanDerWaalsContact O-N 3.17Å; D737-V740 PolarHBondContact O-N 3.44Å; V740-K743 PolarHBondContact O-N 3.14Å; V740-K744 HydrophobicContact CG1-CD 4.39Å; V740-K744 WeakPolarHBondContact O-CG 3.44Å; V740-K744 PolarHBondContact O-N 3.2Å; V740-K744 VanDerWaalsContact O-N 3.07Å |
| 741 | L | 94.1 | Very high | 87.8 | Confident | 8 Ų | 8 | 31.6 Ų | 31.6 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.8 | -43.9 | -179.8 | -70 | 165.2 | 0 | 0 | 0 | 111.7 | D737 I738 I739 K743 K744 M745 H778 R781 L782 L785 | D737-L741 WeakPolarHBondContact O-CB 3.26Å; D737-L741 WeakPolarHBondContact O-CD1 3.49Å; D737-L741 WeakPolarHBondContact O-CG 3.46Å; D737-L741 PolarHBondContact O-N 3.11Å; I738-L741 PolarHBondContact O-N 3.12Å; I739-L741 VanDerWaalsContact C-N 3.33Å; I739-L741 PolarHBondContact O-N 3.29Å; L741-K743 VanDerWaalsContact C-N 3.35Å; L741-K743 PolarHBondContact O-N 2.86Å; L741-K744 PolarHBondContact O-N 3.39Å; L741-M745 VanDerWaalsContact O-CG 3.29Å; L741-M745 WeakPolarHBondContact O-CG 3.22Å; L741-M745 PolarHBondContact O-N 3.21Å; L741-H778 HydrophobicContact CD2-CB 4.01Å; L741-R781 HydrophobicContact CD1-CB 3.99Å; L741-R781 HydrophobicContact CD1-CG 3.77Å; L741-R781 HydrophobicContact CD2-CB 4.36Å; L741-R781 HydrophobicContact CD2-CG 4.49Å; L741-L782 HydrophobicContact CB-CB 4.41Å; L741-L782 HydrophobicContact CB-CD1 4.31Å; L741-L782 HydrophobicContact CD1-CB 4.14Å; L741-L785 HydrophobicContact CD1-CD1 3.88Å |
| 742 | A | 93.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.9 | -45.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F724 I728 I738 I739 M745 C746 V851 V855 | F724-A742 HydrophobicContact CZ-CB 3.85Å; F724-A742 VanDerWaalsContact CZ-O 3.31Å; F724-A742 WeakPolarHBondContact CZ-O 3.35Å; I728-A742 HydrophobicContact CD1-CB 3.95Å; I728-A742 HydrophobicContact CG1-CB 4.47Å; I738-A742 WeakPolarHBondContact O-CB 3.39Å; I738-A742 PolarHBondContact O-N 3.34Å; I739-A742 PolarHBondContact O-N 3.05Å; A742-M745 PolarHBondContact O-N 2.63Å; A742-C746 WeakPolarHBondContact O-CB 3.42Å; A742-C746 PolarHBondContact O-N 2.99Å; A742-V851 HydrophobicContact CB-CG1 3.8Å; A742-V855 HydrophobicContact CB-CG2 4.01Å |
| 743 | K | 87.5 | Confident | 88.8 | Confident | 39 Ų | 39 | 29.1 Ų | 29.1 | 17% | 0.17 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.6 | -47.8 | 175.8 | -71.9 | 179.1 | -175.3 | 175 | 0 | 111.7 | I728 D733 I739 V740 L741 C746 V747 | I728-K743 HydrophobicContact CG2-CD 4.16Å; I728-K743 HydrophobicContact CG2-CG 3.4Å; I728-K743 VanDerWaalsContact CG2-CG 3.4Å; D733-K743 IonicContact OD1-NZ 3.44Å; D733-K743 IonicContact OD2-NZ 3.06Å; D733-K743 PolarHBondContact OD2-NZ 2.98Å; I739-K743 HydrophobicContact CG2-CD 4.42Å; I739-K743 WeakPolarHBondContact O-CG 3.26Å; I739-K743 PolarHBondContact O-N 3.43Å; V740-K743 PolarHBondContact O-N 3.14Å; L741-K743 VanDerWaalsContact C-N 3.35Å; L741-K743 PolarHBondContact O-N 2.86Å; K743-C746 WeakPolarHBondContact O-CB 3.17Å; K743-C746 PolarHBondContact O-N 3.06Å; K743-V747 WeakPolarHBondContact O-CG2 3.35Å; K743-V747 PolarHBondContact O-N 3.09Å |
| 744 | K | 92.3 | Very high | 88.8 | Confident | 100 Ų | 100 | 29 Ų | 29 | 44% | 0.435 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.9 | -47.8 | 178.9 | -70.9 | -177.4 | 177.7 | -167.2 | 0 | 112.3 | V740 L741 C746 V747 I748 H778 | V740-K744 HydrophobicContact CG1-CD 4.39Å; V740-K744 WeakPolarHBondContact O-CG 3.44Å; V740-K744 PolarHBondContact O-N 3.2Å; V740-K744 VanDerWaalsContact O-N 3.07Å; L741-K744 PolarHBondContact O-N 3.39Å; K744-C746 VanDerWaalsContact C-N 3.26Å; K744-C746 PolarHBondContact O-N 3.24Å; K744-V747 PolarHBondContact O-N 2.93Å; K744-I748 WeakPolarHBondContact O-CG1 3.5Å; K744-I748 PolarHBondContact O-N 3.32Å; K744-H778 WeakPolarHBondContact CD-NE2 3.5Å |
| 745 | M | 96.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.1 | -40.3 | 177 | -68.3 | 174.8 | 78.2 | 0 | 0 | 111.5 | L741 A742 I748 M749 I775 H778 L782 L847 V851 | L741-M745 VanDerWaalsContact O-CG 3.29Å; L741-M745 WeakPolarHBondContact O-CG 3.22Å; L741-M745 PolarHBondContact O-N 3.21Å; A742-M745 PolarHBondContact O-N 2.63Å; M745-I748 PolarHBondContact O-N 3Å; M745-M749 HydrophobicContact CB-CE 4.33Å; M745-M749 WeakPolarHBondContact O-CB 3.45Å; M745-M749 WeakPolarHBondContact O-CE 3.37Å; M745-M749 VanDerWaalsContact O-CG 3.28Å; M745-M749 WeakPolarHBondContact O-CG 3.37Å; M745-M749 PolarHBondContact O-N 3.4Å; M745-I775 HydrophobicContact CE-CG2 3.89Å; M745-H778 HydrophobicContact CG-CB 3.57Å; M745-H778 HydrophobicContact SD-CB 4.04Å; M745-L782 HydrophobicContact SD-CD1 4.29Å; M745-L847 HydrophobicContact CE-CD1 4.09Å; M745-L847 HydrophobicContact CE-CD2 4.1Å; M745-L847 HydrophobicContact CE-CG 4.29Å; M745-V851 HydrophobicContact CE-CG2 3.8Å; M745-V851 HydrophobicContact SD-CG2 4.15Å |
| 746 | C | 92.1 | Very high | 89.5 | Confident | 4 Ų | 4 | 21.9 Ų | 21.9 | 3% | 0.027 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.2 | -41.3 | 176.9 | -175.9 | 0 | 0 | 0 | 0 | 113.2 | F724 A742 K743 K744 M750 | F724-C746 HydrophobicContact CD1-CB 3.94Å; F724-C746 HydrophobicContact CE1-CB 3.41Å; F724-C746 VanDerWaalsContact CE1-CB 3.41Å; F724-C746 HydrophobicContact CZ-CB 4Å; A742-C746 WeakPolarHBondContact O-CB 3.42Å; A742-C746 PolarHBondContact O-N 2.99Å; K743-C746 WeakPolarHBondContact O-CB 3.17Å; K743-C746 PolarHBondContact O-N 3.06Å; K744-C746 VanDerWaalsContact C-N 3.26Å; K744-C746 PolarHBondContact O-N 3.24Å; C746-M750 WeakPolarHBondContact O-CG 3.44Å; C746-M750 PolarHBondContact O-N 3.23Å |
| 747 | V | 86.2 | Confident | 89.1 | Confident | 79 Ų | 79 | 26.2 Ų | 26.2 | 48% | 0.479 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -62.3 | -48.4 | 176.5 | 171.8 | 0 | 0 | 0 | 0 | 110 | K743 K744 M749 M750 E751 | K743-V747 WeakPolarHBondContact O-CG2 3.35Å; K743-V747 PolarHBondContact O-N 3.09Å; K744-V747 PolarHBondContact O-N 2.93Å; V747-M749 PolarHBondContact O-N 3.01Å; V747-M750 VanDerWaalsContact O-CB 3.31Å; V747-M750 WeakPolarHBondContact O-CB 3.18Å; V747-M750 PolarHBondContact O-N 2.87Å; V747-M750 VanDerWaalsContact O-N 3.13Å; V747-E751 WeakPolarHBondContact O-CG 3.22Å; V747-E751 PolarHBondContact O-N 3.48Å |
| 748 | I | 92.2 | Very high | 88.3 | Confident | 10 Ų | 10 | 23.9 Ų | 23.9 | 5% | 0.051 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.1 | -42 | -179 | -56.8 | 163.3 | 0 | 0 | 0 | 111 | K744 M745 M750 E751 M752 A771 E774 I775 | K744-I748 WeakPolarHBondContact O-CG1 3.5Å; K744-I748 PolarHBondContact O-N 3.32Å; M745-I748 PolarHBondContact O-N 3Å; I748-M750 VanDerWaalsContact C-N 3.25Å; I748-M750 PolarHBondContact O-N 2.92Å; I748-E751 PolarHBondContact O-N 3.43Å; I748-E751 VanDerWaalsContact O-N 3.14Å; I748-M752 HydrophobicContact CG2-CG 4.41Å; I748-M752 HydrophobicContact CG2-SD 4.34Å; I748-M752 VanDerWaalsContact O-CG 3.3Å; I748-M752 WeakPolarHBondContact O-CG 3.24Å; I748-M752 PolarHBondContact O-N 2.93Å; I748-A771 HydrophobicContact CG2-CB 3.55Å; I748-E774 HydrophobicContact CD1-CB 4.18Å; I748-E774 HydrophobicContact CD1-CG 3.72Å; I748-I775 HydrophobicContact CB-CD1 3.78Å; I748-I775 HydrophobicContact CB-CG1 3.69Å; I748-I775 HydrophobicContact CD1-CG1 4.07Å; I748-I775 HydrophobicContact CG2-CD1 3.51Å; I748-I775 HydrophobicContact CG2-CG1 3.59Å |
| 749 | M | 95.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.4 | -35 | 175.1 | -75.8 | -174.7 | -69.3 | 0 | 0 | 112.6 | F717 M745 V747 T753 I775 L816 A844 L847 M848 | F717-M749 HydrophobicContact CE2-CB 4.37Å; F717-M749 HydrophobicContact CZ-CB 4.13Å; M745-M749 HydrophobicContact CB-CE 4.33Å; M745-M749 WeakPolarHBondContact O-CB 3.45Å; M745-M749 WeakPolarHBondContact O-CE 3.37Å; M745-M749 VanDerWaalsContact O-CG 3.28Å; M745-M749 WeakPolarHBondContact O-CG 3.37Å; M745-M749 PolarHBondContact O-N 3.4Å; V747-M749 PolarHBondContact O-N 3.01Å; M749-T753 WeakPolarHBondContact O-CG2 3.35Å; M749-T753 PolarHBondContact O-N 2.87Å; M749-T753 VanDerWaalsContact O-N 3.15Å; M749-T753 PolarHBondContact O-OG1 2.87Å; M749-I775 HydrophobicContact CG-CD1 3.62Å; M749-L816 HydrophobicContact CG-CD2 4.48Å; M749-A844 HydrophobicContact CB-CB 4.3Å; M749-A844 HydrophobicContact CG-CB 4.21Å; M749-A844 HydrophobicContact SD-CB 4.22Å; M749-L847 HydrophobicContact SD-CB 3.89Å; M749-L847 HydrophobicContact SD-CD2 3.8Å; M749-L847 HydrophobicContact SD-CG 3.88Å; M749-M848 HydrophobicContact CB-CE 4.35Å; M749-M848 HydrophobicContact CE-CB 3.8Å; M749-M848 HydrophobicContact CE-CE 3.9Å; M749-M848 HydrophobicContact CE-CG 4.14Å; M749-M848 HydrophobicContact SD-CB 4.23Å |
| 750 | M | 89.1 | Confident | 86.8 | Confident | 20 Ų | 20 | 31 Ų | 31 | 10% | 0.099 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.4 | -47.9 | 172.7 | -82.1 | -66.4 | -35.2 | 0 | 0 | 111.4 | F717 L718 K721 C746 V747 I748 M752 T753 D754 | F717-M750 HydrophobicContact CD1-SD 4.43Å; F717-M750 HydrophobicContact CE1-CG 4.42Å; F717-M750 HydrophobicContact CE1-SD 3.5Å; F717-M750 WeakPolarHBondContact CE1-SD 3.43Å; F717-M750 HydrophobicContact CZ-SD 4.15Å; L718-M750 HydrophobicContact CD2-CE 3.92Å; L718-M750 HydrophobicContact CD2-SD 3.9Å; K721-M750 HydrophobicContact CD-CG 4.13Å; K721-M750 HydrophobicContact CD-SD 3.46Å; K721-M750 WeakPolarHBondContact CD-SD 3.03Å; K721-M750 VanDerWaalsContact CE-SD 3.54Å; K721-M750 HydrophobicContact CG-CG 4.39Å; K721-M750 HydrophobicContact CG-SD 4.02Å; K721-M750 PolarHBondContact NZ-SD 3.43Å; K721-M750 VanDerWaalsContact NZ-SD 3.39Å; C746-M750 WeakPolarHBondContact O-CG 3.44Å; C746-M750 PolarHBondContact O-N 3.23Å; V747-M750 VanDerWaalsContact O-CB 3.31Å; V747-M750 WeakPolarHBondContact O-CB 3.18Å; V747-M750 PolarHBondContact O-N 2.87Å; V747-M750 VanDerWaalsContact O-N 3.13Å; I748-M750 VanDerWaalsContact C-N 3.25Å; I748-M750 PolarHBondContact O-N 2.92Å; M750-M752 VanDerWaalsContact C-N 3.28Å; M750-M752 PolarHBondContact O-N 3.15Å; M750-T753 WeakPolarHBondContact CA-OG1 3.26Å; M750-T753 CarbonylContact O-C 3.39Å; M750-T753 PolarHBondContact O-N 2.81Å; M750-T753 VanDerWaalsContact O-N 3.12Å; M750-T753 PolarHBondContact O-OG1 3.12Å; M750-D754 PolarHBondContact O-N 2.99Å |
| 751 | E | 88.7 | Confident | 86.6 | Confident | 58 Ų | 58 | 32.7 Ų | 32.7 | 27% | 0.271 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.9 | -38.7 | 179.4 | -66.9 | 174.1 | 174.9 | 0 | 0 | 111.9 | V747 I748 D754 F755 P761 L762 | V747-E751 WeakPolarHBondContact O-CG 3.22Å; V747-E751 PolarHBondContact O-N 3.48Å; I748-E751 PolarHBondContact O-N 3.43Å; I748-E751 VanDerWaalsContact O-N 3.14Å; E751-D754 PolarHBondContact O-N 3.38Å; E751-F755 PolarHBondContact O-N 2.84Å; E751-P761 HydrophobicContact CB-CG 4.01Å; E751-P761 HydrophobicContact CG-CG 3.57Å; E751-L762 HydrophobicContact CB-CD1 4.16Å; E751-L762 HydrophobicContact CB-CG 4.16Å |
| 752 | M | 92.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.8 | -37.2 | 174.8 | -67.8 | 178.1 | 79.9 | 0 | 0 | 113.3 | I748 M750 L762 V768 A771 A772 I775 L816 L840 | I748-M752 HydrophobicContact CG2-CG 4.41Å; I748-M752 HydrophobicContact CG2-SD 4.34Å; I748-M752 VanDerWaalsContact O-CG 3.3Å; I748-M752 WeakPolarHBondContact O-CG 3.24Å; I748-M752 PolarHBondContact O-N 2.93Å; M750-M752 VanDerWaalsContact C-N 3.28Å; M750-M752 PolarHBondContact O-N 3.15Å; M752-L762 HydrophobicContact CG-CD1 4.06Å; M752-V768 HydrophobicContact CE-CG1 3.58Å; M752-V768 WeakPolarHBondContact CE-O 3.36Å; M752-V768 HydrophobicContact CG-CG1 4.27Å; M752-A771 HydrophobicContact CG-CB 3.77Å; M752-A771 HydrophobicContact SD-CB 4.05Å; M752-A772 HydrophobicContact CE-CB 3.77Å; M752-I775 HydrophobicContact SD-CD1 3.56Å; M752-I775 VanDerWaalsContact SD-CD1 3.56Å; M752-L816 HydrophobicContact CE-CD1 4.35Å; M752-L816 HydrophobicContact CE-CD2 4.2Å; M752-L816 HydrophobicContact CE-CG 4.04Å; M752-L816 HydrophobicContact SD-CD2 3.93Å; M752-L816 HydrophobicContact SD-CG 4.39Å; M752-L840 HydrophobicContact CE-CD1 3.78Å |
| 753 | T | 86.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -84.4 | -15.9 | 177.9 | 50.3 | 0 | 0 | 0 | 0 | 113.1 | F717 M749 M750 I756 I841 A844 | F717-T753 HydrophobicContact CD1-CG2 4.16Å; F717-T753 HydrophobicContact CE1-CG2 3.9Å; F717-T753 WeakPolarHBondContact CE1-OG1 3.35Å; F717-T753 HydrophobicContact CE2-CG2 4.29Å; F717-T753 HydrophobicContact CG-CG2 4.45Å; F717-T753 HydrophobicContact CZ-CG2 3.97Å; M749-T753 WeakPolarHBondContact O-CG2 3.35Å; M749-T753 PolarHBondContact O-N 2.87Å; M749-T753 VanDerWaalsContact O-N 3.15Å; M749-T753 PolarHBondContact O-OG1 2.87Å; M750-T753 WeakPolarHBondContact CA-OG1 3.26Å; M750-T753 CarbonylContact O-C 3.39Å; M750-T753 PolarHBondContact O-N 2.81Å; M750-T753 VanDerWaalsContact O-N 3.12Å; M750-T753 PolarHBondContact O-OG1 3.12Å; T753-I756 WeakPolarHBondContact O-CG1 3.16Å; T753-I841 HydrophobicContact CG2-CG1 4.23Å; T753-A844 HydrophobicContact CG2-CB 4.24Å |
| 754 | D | 82 | Confident | 85.3 | Confident | 38 Ų | 38 | 36.3 Ų | 36.3 | 20% | 0.203 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -78.7 | -35 | 168 | -76.4 | -30 | 0 | 0 | 0 | 111.5 | M750 E751 I756 R757 K759 | M750-D754 PolarHBondContact O-N 2.99Å; E751-D754 PolarHBondContact O-N 3.38Å; D754-I756 VanDerWaalsContact C-N 3.32Å; D754-I756 PolarHBondContact O-N 2.98Å; D754-R757 WeakPolarHBondContact O-CB 3.4Å; D754-R757 PolarHBondContact O-N 3.38Å; D754-K759 CarbonylContact C-O 3.23Å; D754-K759 CarbonylContact O-C 3.13Å; D754-K759 PolarHBondContact O-N 3.29Å; D754-K759 VanDerWaalsContact O-N 3.11Å |
| 755 | F | 84.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -53 | -48.3 | 177.4 | 171.2 | -97.2 | 0 | 0 | 0 | 112.4 | R695 V698 E751 R757 G758 K759 L762 V768 | R695-F755 HydrophobicContact CB-CD2 4.02Å; R695-F755 HydrophobicContact CB-CE2 3.8Å; R695-F755 HydrophobicContact CG-CD2 3.78Å; R695-F755 HydrophobicContact CG-CE2 4.09Å; V698-F755 HydrophobicContact CG2-CE1 3.96Å; V698-F755 HydrophobicContact CG2-CZ 4.16Å; E751-F755 PolarHBondContact O-N 2.84Å; F755-R757 PolarHBondContact O-N 3.33Å; F755-G758 PolarHBondContact O-N 2.94Å; F755-K759 WeakPolarHBondContact CA-O 3.47Å; F755-K759 PolarHBondContact N-O 3.4Å; F755-L762 HydrophobicContact CB-CB 4.23Å; F755-L762 HydrophobicContact CB-CD1 4.38Å; F755-L762 HydrophobicContact CD2-CB 4Å; F755-L762 HydrophobicContact CG-CB 4.45Å; F755-V768 HydrophobicContact CB-CG2 4.09Å; F755-V768 HydrophobicContact CD1-CG2 3.4Å; F755-V768 HydrophobicContact CD2-CG2 3.86Å; F755-V768 HydrophobicContact CE1-CG2 3.68Å; F755-V768 HydrophobicContact CE2-CG2 4.13Å; F755-V768 HydrophobicContact CG-CG2 3.49Å; F755-V768 VanDerWaalsContact CG-CG2 3.49Å; F755-V768 HydrophobicContact CZ-CG2 4.04Å |
| 756 | I | 82.2 | Confident | 84.4 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -14.7 | -179.6 | 62.4 | -177.3 | 0 | 0 | 0 | 113 | M710 T753 D754 A837 L840 I841 | M710-I756 HydrophobicContact CE-CB 3.37Å; M710-I756 HydrophobicContact CE-CD1 3.57Å; M710-I756 HydrophobicContact CE-CG1 3.38Å; M710-I756 VanDerWaalsContact CE-O 3.29Å; M710-I756 WeakPolarHBondContact CE-O 3.2Å; T753-I756 WeakPolarHBondContact O-CG1 3.16Å; D754-I756 VanDerWaalsContact C-N 3.32Å; D754-I756 PolarHBondContact O-N 2.98Å; I756-A837 HydrophobicContact CB-CB 4.49Å; I756-A837 HydrophobicContact CG2-CB 4.35Å; I756-L840 HydrophobicContact CG2-CD2 3.93Å; I756-I841 HydrophobicContact CD1-CD1 3.48Å; I756-I841 VanDerWaalsContact CD1-CD1 3.48Å; I756-I841 HydrophobicContact CD1-CG1 3.27Å |
| 757 | R | 75.5 | Confident | 84.3 | Confident | 90 Ų | 90 | 39.3 Ų | 39.3 | 34% | 0.34 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 5.8 | 176 | -54 | 173.2 | 71.4 | -169.9 | -0.7 | 113.6 | L714 D754 F755 K759 | L714-R757 VanDerWaalsContact CD2-CD 3.42Å; L714-R757 HydrophobicContact CD2-CG 4.18Å; D754-R757 WeakPolarHBondContact O-CB 3.4Å; D754-R757 PolarHBondContact O-N 3.38Å; F755-R757 PolarHBondContact O-N 3.33Å; R757-K759 VanDerWaalsContact C-N 3.34Å |
| 758 | G | 72.8 | Confident | 84.5 | Confident | 14 Ų | 14 | 35.6 Ų | 35.6 | 14% | 0.144 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 14 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R695 F755 | R695-G758 PolarHBondContact NE-O 3.23Å; R695-G758 WeakPolarHBondContact O-CA 3.21Å; F755-G758 PolarHBondContact O-N 2.94Å |
| 759 | K | 78 | Confident | 84.3 | Confident | 122 Ų | 122 | 36.8 Ų | 36.8 | 53% | 0.53 | 20% | 0.195 | S | C | . | . | trans | -131.8 | 177.5 | -170.9 | -61.3 | -174.7 | -175.6 | -177.4 | 0 | 112 | D754 F755 R757 | D754-K759 CarbonylContact C-O 3.23Å; D754-K759 CarbonylContact O-C 3.13Å; D754-K759 PolarHBondContact O-N 3.29Å; D754-K759 VanDerWaalsContact O-N 3.11Å; F755-K759 WeakPolarHBondContact CA-O 3.47Å; F755-K759 PolarHBondContact N-O 3.4Å; R757-K759 VanDerWaalsContact C-N 3.34Å | ||
| 760 | G | 74 | Confident | 84.2 | Confident | 29 Ų | 29 | 41.9 Ų | 41.9 | 30% | 0.299 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 82.1 | -179 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R695 | R695-G760 PolarHBondContact NH1-O 2.97Š|
| 761 | P | 82.1 | Confident | 84.4 | Confident | 75 Ų | 75 | 41.2 Ų | 41.2 | 49% | 0.487 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -77.5 | -29.6 | -171.7 | 29 | -33.2 | 0 | 0 | 0 | 113.6 | E751 Q763 | E751-P761 HydrophobicContact CB-CG 4.01Å; E751-P761 HydrophobicContact CG-CG 3.57Å; P761-Q763 PolarHBondContact O-NE2 3.47Å |
| 762 | L | 84.2 | Confident | 84.7 | Confident | 18 Ų | 18 | 38.5 Ų | 38.5 | 9% | 0.094 | 20% | 0.204 | C | C | . | . | trans | -68.5 | 131.9 | -179.8 | -48.8 | -178.9 | 0 | 0 | 0 | 109.9 | R695 E751 M752 F755 D767 V768 A771 | R695-L762 WeakPolarHBondContact CD-O 3.47Å; E751-L762 HydrophobicContact CB-CD1 4.16Å; E751-L762 HydrophobicContact CB-CG 4.16Å; M752-L762 HydrophobicContact CG-CD1 4.06Å; F755-L762 HydrophobicContact CB-CB 4.23Å; F755-L762 HydrophobicContact CB-CD1 4.38Å; F755-L762 HydrophobicContact CD2-CB 4Å; F755-L762 HydrophobicContact CG-CB 4.45Å; L762-D767 HydrophobicContact CB-CB 3.98Å; L762-D767 HydrophobicContact CD2-CB 3.97Å; L762-D767 HydrophobicContact CG-CB 4.48Å; L762-V768 HydrophobicContact CD1-CG2 4.05Å; L762-A771 HydrophobicContact CD1-CB 4.23Å | ||
| 763 | Q | 80.5 | Confident | 84.7 | Confident | 77 Ų | 77 | 44 Ų | 44 | 36% | 0.36 | 23% | 0.23 | S | C | . | . | trans | -110.9 | -27.2 | -174.8 | -61.6 | -57.5 | -40.6 | 0 | 0 | 113 | S693 E694 R695 P761 D767 | S693-Q763 PolarHBondContact OG-O 3.5Å; S693-Q763 PolarHBondContact OG-OE1 2.75Å; E694-Q763 PolarHBondContact N-O 2.94Å; R695-Q763 PolarHBondContact N-O 3.26Å; P761-Q763 PolarHBondContact O-NE2 3.47Å; Q763-D767 WeakPolarHBondContact CA-OD2 3.34Å; Q763-D767 PolarHBondContact N-OD2 3.34Å | ||
| 764 | S | 83.9 | Confident | 85.2 | Confident | 29 Ų | 29 | 48.7 Ų | 48.7 | 20% | 0.203 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -129.4 | 159.4 | -175.4 | 68.8 | 0 | 0 | 0 | 0 | 112 | L766 D767 V768 | S764-L766 PolarHBondContact O-N 3.32Å; S764-L766 PolarHBondContact OG-N 3.3Å; S764-D767 PolarHBondContact N-OD2 2.87Å; S764-D767 WeakPolarHBondContact O-CB 3.16Å; S764-D767 PolarHBondContact O-N 3.38Å; S764-D767 PolarHBondContact OG-N 3.44Å; S764-D767 PolarHBondContact OG-OD1 2.88Å; S764-D767 PolarHBondContact OG-OD2 3.28Å; S764-D767 VanDerWaalsContact OG-OD2 3.07Å; S764-V768 PolarHBondContact O-N 3.11Å |
| 765 | T | 83.6 | Confident | 85.8 | Confident | 17 Ų | 17 | 46.9 Ų | 46.9 | 10% | 0.104 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.1 | -34 | 170.3 | -55.8 | 0 | 0 | 0 | 0 | 111.1 | E694 D767 V768 I769 V822 | E694-T765 WeakPolarHBondContact OE2-CB 3.26Å; E694-T765 PolarHBondContact OE2-N 2.99Å; E694-T765 PolarHBondContact OE2-OG1 3.41Å; T765-D767 VanDerWaalsContact C-N 3.33Å; T765-D767 PolarHBondContact O-N 2.93Å; T765-V768 WeakPolarHBondContact O-CB 3.42Å; T765-V768 PolarHBondContact O-N 3.45Å; T765-I769 HydrophobicContact CG2-CD1 4.12Å; T765-I769 WeakPolarHBondContact O-CG1 3.42Å; T765-I769 PolarHBondContact O-N 3.27Å; T765-V822 HydrophobicContact CG2-CB 4.39Å; T765-V822 WeakPolarHBondContact CG2-O 3.43Å; T765-V822 PolarHBondContact OG1-O 3.37Å |
| 766 | L | 86.5 | Confident | 86.3 | Confident | 103 Ų | 103 | 47.7 Ų | 47.7 | 54% | 0.539 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 175.3 | -177.1 | 64.6 | 0 | 0 | 0 | 111.2 | S764 V768 I769 E770 | S764-L766 PolarHBondContact O-N 3.32Å; S764-L766 PolarHBondContact OG-N 3.3Å; L766-V768 VanDerWaalsContact C-N 3.27Å; L766-V768 PolarHBondContact O-N 2.77Å; L766-I769 WeakPolarHBondContact O-CB 3.34Å; L766-I769 PolarHBondContact O-N 3.47Å; L766-I769 VanDerWaalsContact O-N 3.11Å; L766-E770 WeakPolarHBondContact O-CG 3.41Å; L766-E770 PolarHBondContact O-N 3.47Å |
| 767 | D | 89.9 | Confident | 86.9 | Confident | 47 Ų | 47 | 52.8 Ų | 52.8 | 25% | 0.251 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.5 | -37.2 | 177 | -53.4 | -32.4 | 0 | 0 | 0 | 111.4 | L762 Q763 S764 T765 E770 A771 | L762-D767 HydrophobicContact CB-CB 3.98Å; L762-D767 HydrophobicContact CD2-CB 3.97Å; L762-D767 HydrophobicContact CG-CB 4.48Å; Q763-D767 WeakPolarHBondContact CA-OD2 3.34Å; Q763-D767 PolarHBondContact N-OD2 3.34Å; S764-D767 PolarHBondContact N-OD2 2.87Å; S764-D767 WeakPolarHBondContact O-CB 3.16Å; S764-D767 PolarHBondContact O-N 3.38Å; S764-D767 PolarHBondContact OG-N 3.44Å; S764-D767 PolarHBondContact OG-OD1 2.88Å; S764-D767 PolarHBondContact OG-OD2 3.28Å; S764-D767 VanDerWaalsContact OG-OD2 3.07Å; T765-D767 VanDerWaalsContact C-N 3.33Å; T765-D767 PolarHBondContact O-N 2.93Å; D767-E770 PolarHBondContact O-N 3.41Å; D767-A771 VanDerWaalsContact O-CB 3.22Å; D767-A771 WeakPolarHBondContact O-CB 3.24Å; D767-A771 PolarHBondContact O-N 2.69Å |
| 768 | V | 90.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.5 | -38.1 | 175.9 | -173.1 | 0 | 0 | 0 | 0 | 111.2 | M752 F755 L762 S764 T765 L766 A772 L840 | M752-V768 HydrophobicContact CE-CG1 3.58Å; M752-V768 WeakPolarHBondContact CE-O 3.36Å; M752-V768 HydrophobicContact CG-CG1 4.27Å; F755-V768 HydrophobicContact CB-CG2 4.09Å; F755-V768 HydrophobicContact CD1-CG2 3.4Å; F755-V768 HydrophobicContact CD2-CG2 3.86Å; F755-V768 HydrophobicContact CE1-CG2 3.68Å; F755-V768 HydrophobicContact CE2-CG2 4.13Å; F755-V768 HydrophobicContact CG-CG2 3.49Å; F755-V768 VanDerWaalsContact CG-CG2 3.49Å; F755-V768 HydrophobicContact CZ-CG2 4.04Å; L762-V768 HydrophobicContact CD1-CG2 4.05Å; S764-V768 PolarHBondContact O-N 3.11Å; T765-V768 WeakPolarHBondContact O-CB 3.42Å; T765-V768 PolarHBondContact O-N 3.45Å; L766-V768 VanDerWaalsContact C-N 3.27Å; L766-V768 PolarHBondContact O-N 2.77Å; V768-A772 PolarHBondContact O-N 3.12Å; V768-L840 HydrophobicContact CG1-CD2 4.22Å |
| 769 | I | 88.9 | Confident | 89 | Confident | 35 Ų | 35 | 49.2 Ų | 49.2 | 18% | 0.179 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.7 | -43.7 | 175.3 | -66 | 165.3 | 0 | 0 | 0 | 110.6 | T765 L766 A772 Q773 R821 | T765-I769 HydrophobicContact CG2-CD1 4.12Å; T765-I769 WeakPolarHBondContact O-CG1 3.42Å; T765-I769 PolarHBondContact O-N 3.27Å; L766-I769 WeakPolarHBondContact O-CB 3.34Å; L766-I769 PolarHBondContact O-N 3.47Å; L766-I769 VanDerWaalsContact O-N 3.11Å; I769-A772 PolarHBondContact O-N 3.05Å; I769-Q773 WeakPolarHBondContact O-CG 3.24Å; I769-Q773 PolarHBondContact O-N 3.35Å; I769-R821 HydrophobicContact CD1-CG 4.12Å; I769-R821 HydrophobicContact CG1-CG 4.24Å |
| 770 | E | 91.9 | Very high | 89.9 | Confident | 107 Ų | 107 | 49.4 Ų | 49.4 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 176.1 | -71 | -174.9 | -178 | 0 | 0 | 111.4 | L766 D767 A772 Q773 E774 | L766-E770 WeakPolarHBondContact O-CG 3.41Å; L766-E770 PolarHBondContact O-N 3.47Å; D767-E770 PolarHBondContact O-N 3.41Å; E770-A772 VanDerWaalsContact C-N 3.34Å; E770-A772 PolarHBondContact O-N 3.05Å; E770-Q773 WeakPolarHBondContact O-CB 3.31Å; E770-Q773 PolarHBondContact O-N 2.96Å; E770-Q773 VanDerWaalsContact O-N 3.13Å; E770-E774 PolarHBondContact O-N 3.39Å |
| 771 | A | 94.3 | Very high | 90.9 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.7 | -43.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I748 M752 L762 D767 Q773 E774 I775 | I748-A771 HydrophobicContact CG2-CB 3.55Å; M752-A771 HydrophobicContact CG-CB 3.77Å; M752-A771 HydrophobicContact SD-CB 4.05Å; L762-A771 HydrophobicContact CD1-CB 4.23Å; D767-A771 VanDerWaalsContact O-CB 3.22Å; D767-A771 WeakPolarHBondContact O-CB 3.24Å; D767-A771 PolarHBondContact O-N 2.69Å; A771-Q773 VanDerWaalsContact C-N 3.34Å; A771-Q773 PolarHBondContact O-N 2.77Å; A771-E774 PolarHBondContact O-N 2.9Å; A771-I775 WeakPolarHBondContact O-CG1 3.34Å; A771-I775 PolarHBondContact O-N 3Å |
| 772 | A | 94.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.1 | -35.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M752 V768 I769 E770 S776 | M752-A772 HydrophobicContact CE-CB 3.77Å; V768-A772 PolarHBondContact O-N 3.12Å; I769-A772 PolarHBondContact O-N 3.05Å; E770-A772 VanDerWaalsContact C-N 3.34Å; E770-A772 PolarHBondContact O-N 3.05Å; A772-S776 WeakPolarHBondContact O-CB 3.49Å; A772-S776 PolarHBondContact O-N 2.99Å; A772-S776 PolarHBondContact O-OG 3.21Å |
| 773 | Q | 93.3 | Very high | 92.1 | Very high | 116 Ų | 116 | 49.9 Ų | 49.9 | 54% | 0.542 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.5 | -42.9 | 173.2 | -70 | 174.9 | 12.6 | 0 | 0 | 111.2 | I769 E770 A771 S776 E777 | I769-Q773 WeakPolarHBondContact O-CG 3.24Å; I769-Q773 PolarHBondContact O-N 3.35Å; E770-Q773 WeakPolarHBondContact O-CB 3.31Å; E770-Q773 PolarHBondContact O-N 2.96Å; E770-Q773 VanDerWaalsContact O-N 3.13Å; A771-Q773 VanDerWaalsContact C-N 3.34Å; A771-Q773 PolarHBondContact O-N 2.77Å; Q773-S776 WeakPolarHBondContact O-CB 3.5Å; Q773-S776 PolarHBondContact O-N 3.11Å; Q773-S776 VanDerWaalsContact O-N 3.11Å; Q773-E777 PolarHBondContact O-N 2.96Å |
| 774 | E | 95.6 | Very high | 92.7 | Very high | 99 Ų | 99 | 50.2 Ų | 50.2 | 46% | 0.463 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 176.4 | -172.8 | 173.7 | -178.4 | 0 | 0 | 111.6 | I748 E770 A771 S776 E777 H778 | I748-E774 HydrophobicContact CD1-CB 4.18Å; I748-E774 HydrophobicContact CD1-CG 3.72Å; E770-E774 PolarHBondContact O-N 3.39Å; A771-E774 PolarHBondContact O-N 2.9Å; E774-S776 VanDerWaalsContact C-N 3.26Å; E774-S776 PolarHBondContact O-N 2.68Å; E774-E777 PolarHBondContact O-N 3.04Å; E774-H778 PolarHBondContact O-N 2.8Å; E774-H778 IonicContact OE1-CE1 2.82Å; E774-H778 IonicContact OE1-NE2 2.99Å |
| 775 | I | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.7 | -41.5 | 171.7 | -74.5 | 170.8 | 0 | 0 | 0 | 110.9 | M745 I748 M749 M752 A771 H778 G779 L816 L847 | M745-I775 HydrophobicContact CE-CG2 3.89Å; I748-I775 HydrophobicContact CB-CD1 3.78Å; I748-I775 HydrophobicContact CB-CG1 3.69Å; I748-I775 HydrophobicContact CD1-CG1 4.07Å; I748-I775 HydrophobicContact CG2-CD1 3.51Å; I748-I775 HydrophobicContact CG2-CG1 3.59Å; M749-I775 HydrophobicContact CG-CD1 3.62Å; M752-I775 HydrophobicContact SD-CD1 3.56Å; M752-I775 VanDerWaalsContact SD-CD1 3.56Å; A771-I775 WeakPolarHBondContact O-CG1 3.34Å; A771-I775 PolarHBondContact O-N 3Å; I775-H778 PolarHBondContact O-N 3.15Å; I775-G779 PolarHBondContact O-N 3.4Å; I775-L816 HydrophobicContact CB-CD2 4.31Å; I775-L816 HydrophobicContact CD1-CD2 3.51Å; I775-L816 HydrophobicContact CG2-CD2 3.9Å; I775-L847 HydrophobicContact CG2-CD2 3.48Å; I775-L847 VanDerWaalsContact CG2-CD2 3.48Å |
| 776 | S | 95.3 | Very high | 93.6 | Very high | 17 Ų | 17 | 49.1 Ų | 49.1 | 12% | 0.119 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.6 | -39 | 179.4 | -66.2 | 0 | 0 | 0 | 0 | 112.1 | A772 Q773 E774 G779 K780 S817 | A772-S776 WeakPolarHBondContact O-CB 3.49Å; A772-S776 PolarHBondContact O-N 2.99Å; A772-S776 PolarHBondContact O-OG 3.21Å; Q773-S776 WeakPolarHBondContact O-CB 3.5Å; Q773-S776 PolarHBondContact O-N 3.11Å; Q773-S776 VanDerWaalsContact O-N 3.11Å; E774-S776 VanDerWaalsContact C-N 3.26Å; E774-S776 PolarHBondContact O-N 2.68Å; S776-G779 PolarHBondContact O-N 2.92Å; S776-K780 VanDerWaalsContact O-CG 3.29Å; S776-K780 WeakPolarHBondContact O-CG 3.21Å; S776-K780 PolarHBondContact O-N 3.07Å; S776-S817 PolarHBondContact OG-OG 3.41Å |
| 777 | E | 94.9 | Very high | 93.7 | Very high | 107 Ų | 107 | 48.9 Ų | 48.9 | 50% | 0.5 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.5 | -41.7 | 173.6 | -71.6 | -54.2 | 128.7 | 0 | 0 | 112.1 | Q773 E774 K780 R781 | Q773-E777 PolarHBondContact O-N 2.96Å; E774-E777 PolarHBondContact O-N 3.04Å; E777-K780 PolarHBondContact O-N 3.41Å; E777-K780 IonicContact OE1-NZ 3.47Å; E777-K780 PolarHBondContact OE1-NZ 3.43Å; E777-R781 PolarHBondContact O-N 2.7Å |
| 778 | H | 97.1 | Very high | 93.6 | Very high | 25 Ų | 25 | 50.9 Ų | 50.9 | 12% | 0.116 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63 | -42.2 | 172.5 | -70.5 | -2.9 | 0 | 0 | 0 | 112.1 | L741 K744 M745 E774 I775 K780 R781 L782 | L741-H778 HydrophobicContact CD2-CB 4.01Å; K744-H778 WeakPolarHBondContact CD-NE2 3.5Å; M745-H778 HydrophobicContact CG-CB 3.57Å; M745-H778 HydrophobicContact SD-CB 4.04Å; E774-H778 PolarHBondContact O-N 2.8Å; E774-H778 IonicContact OE1-CE1 2.82Å; E774-H778 IonicContact OE1-NE2 2.99Å; I775-H778 PolarHBondContact O-N 3.15Å; H778-K780 PolarHBondContact O-N 2.99Å; H778-R781 PolarHBondContact O-N 3.38Å; H778-L782 VanDerWaalsContact O-CB 3.31Å; H778-L782 WeakPolarHBondContact O-CB 3.37Å; H778-L782 PolarHBondContact O-N 2.87Å |
| 779 | G | 96.1 | Very high | 93.5 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.3 | -43.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | I775 S776 N783 | I775-G779 PolarHBondContact O-N 3.4Å; S776-G779 PolarHBondContact O-N 2.92Å; G779-N783 WeakPolarHBondContact O-CB 3.2Å; G779-N783 PolarHBondContact O-N 3.1Å |
| 780 | K | 95.8 | Very high | 93.4 | Very high | 127 Ų | 127 | 49.6 Ų | 49.6 | 55% | 0.552 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62.5 | -44.5 | 173.6 | -72.8 | 170 | -168.1 | 169.7 | 0 | 112.2 | S776 E777 H778 N783 S784 | S776-K780 VanDerWaalsContact O-CG 3.29Å; S776-K780 WeakPolarHBondContact O-CG 3.21Å; S776-K780 PolarHBondContact O-N 3.07Å; E777-K780 PolarHBondContact O-N 3.41Å; E777-K780 IonicContact OE1-NZ 3.47Å; E777-K780 PolarHBondContact OE1-NZ 3.43Å; H778-K780 PolarHBondContact O-N 2.99Å; K780-N783 WeakPolarHBondContact O-CB 3.29Å; K780-N783 PolarHBondContact O-N 3.02Å; K780-S784 PolarHBondContact O-N 2.82Å |
| 781 | R | 96.1 | Very high | 93.1 | Very high | 119 Ų | 119 | 49.8 Ų | 49.8 | 45% | 0.449 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.7 | -42.8 | 179 | -171.2 | 174.3 | 169.2 | 164.3 | -4 | 111.6 | D737 L741 E777 H778 N783 S784 L785 | D737-R781 IonicContact OD2-CZ 2.87Å; D737-R781 IonicContact OD2-NH2 2.65Å; D737-R781 PolarHBondContact OD2-NH2 3.01Å; L741-R781 HydrophobicContact CD1-CB 3.99Å; L741-R781 HydrophobicContact CD1-CG 3.77Å; L741-R781 HydrophobicContact CD2-CB 4.36Å; L741-R781 HydrophobicContact CD2-CG 4.49Å; E777-R781 PolarHBondContact O-N 2.7Å; H778-R781 PolarHBondContact O-N 3.38Å; R781-N783 VanDerWaalsContact C-N 3.26Å; R781-N783 PolarHBondContact O-N 3.15Å; R781-S784 PolarHBondContact O-N 3.11Å; R781-L785 WeakPolarHBondContact O-CG 3.37Å; R781-L785 PolarHBondContact O-N 3.4Å; R781-L785 VanDerWaalsContact O-N 3.1Å |
| 782 | L | 96.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.6 | -42.2 | 172.3 | -177.3 | 145.3 | 0 | 0 | 0 | 109.9 | I738 L741 M745 H778 S784 L785 C786 V809 V851 T854 | I738-L782 HydrophobicContact CG2-CD1 4.35Å; L741-L782 HydrophobicContact CB-CB 4.41Å; L741-L782 HydrophobicContact CB-CD1 4.31Å; L741-L782 HydrophobicContact CD1-CB 4.14Å; M745-L782 HydrophobicContact SD-CD1 4.29Å; H778-L782 VanDerWaalsContact O-CB 3.31Å; H778-L782 WeakPolarHBondContact O-CB 3.37Å; H778-L782 PolarHBondContact O-N 2.87Å; L782-S784 PolarHBondContact O-N 2.93Å; L782-L785 PolarHBondContact O-N 3Å; L782-C786 WeakPolarHBondContact O-CB 3.37Å; L782-C786 PolarHBondContact O-N 3.18Å; L782-C786 PolarHBondContact O-SG 2.63Å; L782-V809 HydrophobicContact CD2-CG1 4.47Å; L782-V851 HydrophobicContact CD1-CG1 4.02Å; L782-T854 HydrophobicContact CD2-CG2 3.73Å |
| 783 | N | 93.9 | Very high | 91.8 | Very high | 13 Ų | 13 | 53.2 Ų | 53.2 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.5 | -47.7 | 175.9 | -130.5 | -76 | 0 | 0 | 0 | 112.1 | G779 K780 R781 C786 R787 L806 T810 | G779-N783 WeakPolarHBondContact O-CB 3.2Å; G779-N783 PolarHBondContact O-N 3.1Å; K780-N783 WeakPolarHBondContact O-CB 3.29Å; K780-N783 PolarHBondContact O-N 3.02Å; R781-N783 VanDerWaalsContact C-N 3.26Å; R781-N783 PolarHBondContact O-N 3.15Å; N783-C786 PolarHBondContact O-N 3.46Å; N783-R787 WeakPolarHBondContact O-CB 3.34Å; N783-R787 PolarHBondContact O-N 2.67Å; N783-R787 PolarHBondContact OD1-NH2 3.25Å; N783-L806 HydrophobicContact CB-CD2 4.27Å; N783-L806 PolarHBondContact ND2-O 2.85Å; N783-L806 WeakPolarHBondContact OD1-CB 3.36Å; N783-T810 PolarHBondContact ND2-OG1 3.1Å |
| 784 | S | 92.8 | Very high | 91.2 | Very high | 83 Ų | 83 | 51.1 Ų | 51.1 | 58% | 0.58 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61.4 | -45.3 | -179.1 | 177.9 | 0 | 0 | 0 | 0 | 112.5 | K780 R781 L782 H788 | K780-S784 PolarHBondContact O-N 2.82Å; R781-S784 PolarHBondContact O-N 3.11Å; L782-S784 PolarHBondContact O-N 2.93Å; S784-H788 PolarHBondContact O-N 3.24Å |
| 785 | L | 92.9 | Very high | 90.3 | Very high | 24 Ų | 24 | 52.1 Ų | 52.1 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.8 | -49.4 | 178.4 | -67.3 | 172.4 | 0 | 0 | 0 | 111.4 | D737 I738 L741 R781 L782 H788 I789 I874 | D737-L785 HydrophobicContact CB-CD1 3.63Å; I738-L785 HydrophobicContact CD1-CB 4.29Å; I738-L785 HydrophobicContact CG1-CB 3.93Å; I738-L785 HydrophobicContact CG1-CD1 3.98Å; L741-L785 HydrophobicContact CD1-CD1 3.88Å; R781-L785 WeakPolarHBondContact O-CG 3.37Å; R781-L785 PolarHBondContact O-N 3.4Å; R781-L785 VanDerWaalsContact O-N 3.1Å; L782-L785 PolarHBondContact O-N 3Å; L785-H788 PolarHBondContact O-N 3.09Å; L785-I789 PolarHBondContact O-N 3.42Å; L785-I789 VanDerWaalsContact O-N 3.17Å; L785-I874 HydrophobicContact CD2-CG2 3.65Å; L785-I874 WeakPolarHBondContact O-CD1 3.3Å |
| 786 | C | 93.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.9 | -31 | -178.5 | -63.1 | 0 | 0 | 0 | 0 | 112.6 | L782 N783 H788 I789 A790 L802 L806 T854 S858 | L782-C786 WeakPolarHBondContact O-CB 3.37Å; L782-C786 PolarHBondContact O-N 3.18Å; L782-C786 PolarHBondContact O-SG 2.63Å; N783-C786 PolarHBondContact O-N 3.46Å; C786-H788 VanDerWaalsContact C-N 3.35Å; C786-I789 WeakPolarHBondContact O-CB 3.33Å; C786-I789 PolarHBondContact O-N 3.01Å; C786-A790 PolarHBondContact O-N 3.48Å; C786-L802 HydrophobicContact CB-CD1 4.25Å; C786-L806 HydrophobicContact CB-CD1 4.09Å; C786-L806 HydrophobicContact CB-CD2 3.45Å; C786-L806 VanDerWaalsContact CB-CD2 3.45Å; C786-L806 HydrophobicContact CB-CG 4.24Å; C786-T854 HydrophobicContact CB-CG2 4.1Å; C786-S858 PolarHBondContact SG-OG 3.5Å |
| 787 | R | 89.4 | Confident | 88.8 | Confident | 98 Ų | 98 | 54.1 Ų | 54.1 | 37% | 0.37 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 173 | -170.8 | 68.2 | 57.7 | 117.4 | 7.5 | 110.5 | N783 I789 A790 D791 L806 | N783-R787 WeakPolarHBondContact O-CB 3.34Å; N783-R787 PolarHBondContact O-N 2.67Å; N783-R787 PolarHBondContact OD1-NH2 3.25Å; R787-I789 VanDerWaalsContact C-N 3.27Å; R787-I789 PolarHBondContact O-N 3.31Å; R787-A790 CarbonylContact O-C 3.5Å; R787-A790 WeakPolarHBondContact O-CA 3.48Å; R787-A790 WeakPolarHBondContact O-CB 3.47Å; R787-A790 PolarHBondContact O-N 2.88Å; R787-D791 PolarHBondContact O-N 3.35Å; R787-L806 HydrophobicContact CB-CD1 4.38Å |
| 788 | H | 88 | Confident | 88.1 | Confident | 88 Ų | 88 | 49.3 Ų | 49.3 | 41% | 0.407 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.3 | -30.8 | 177.6 | -176.4 | -158.9 | 0 | 0 | 0 | 111.4 | S784 L785 C786 M792 I874 | S784-H788 PolarHBondContact O-N 3.24Å; L785-H788 PolarHBondContact O-N 3.09Å; C786-H788 VanDerWaalsContact C-N 3.35Å; H788-M792 WeakPolarHBondContact O-CG 3.18Å; H788-M792 PolarHBondContact O-N 3.41Å; H788-I874 HydrophobicContact CB-CD1 3.39Å; H788-I874 WeakPolarHBondContact ND1-CD1 3.35Å; H788-I874 VanDerWaalsContact ND1-CG1 3.27Å; H788-I874 WeakPolarHBondContact ND1-CG1 3.47Å |
| 789 | I | 88.2 | Confident | 87.5 | Confident | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 167.4 | -64.7 | 169.6 | 0 | 0 | 0 | 111 | I738 L785 C786 R787 D791 M792 C793 L802 A861 I874 V875 | I738-I789 HydrophobicContact CD1-CD1 3.56Å; L785-I789 PolarHBondContact O-N 3.42Å; L785-I789 VanDerWaalsContact O-N 3.17Å; C786-I789 WeakPolarHBondContact O-CB 3.33Å; C786-I789 PolarHBondContact O-N 3.01Å; R787-I789 VanDerWaalsContact C-N 3.27Å; R787-I789 PolarHBondContact O-N 3.31Å; I789-D791 PolarHBondContact O-N 3.48Å; I789-M792 PolarHBondContact O-N 3.01Å; I789-C793 PolarHBondContact O-N 3.5Å; I789-C793 PolarHBondContact O-SG 3.44Å; I789-L802 HydrophobicContact CB-CD2 4.41Å; I789-L802 HydrophobicContact CG2-CD2 4.12Å; I789-A861 HydrophobicContact CG2-CB 3.69Å; I789-I874 HydrophobicContact CG1-CD1 4.18Å; I789-V875 HydrophobicContact CD1-CG2 4.2Å |
| 790 | A | 86.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C786 R787 M792 C793 R799 L802 | C786-A790 PolarHBondContact O-N 3.48Å; R787-A790 CarbonylContact O-C 3.5Å; R787-A790 WeakPolarHBondContact O-CA 3.48Å; R787-A790 WeakPolarHBondContact O-CB 3.47Å; R787-A790 PolarHBondContact O-N 2.88Å; A790-M792 PolarHBondContact O-N 2.91Å; A790-C793 WeakPolarHBondContact O-CB 3.33Å; A790-C793 PolarHBondContact O-N 3.33Å; A790-R799 HydrophobicContact CB-CG 4.37Å; A790-R799 WeakPolarHBondContact O-CD 3.33Å; A790-R799 WeakPolarHBondContact O-CG 3.35Å; A790-L802 HydrophobicContact CB-CD2 3.88Å; A790-L802 HydrophobicContact CB-CG 4.21Å |
| 791 | D | 85.6 | Confident | 86.4 | Confident | 112 Ų | 112 | 55.9 Ų | 55.9 | 60% | 0.599 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -67 | -27.2 | -179.7 | -65.8 | -22.8 | 0 | 0 | 0 | 112.3 | R787 I789 C793 | R787-D791 PolarHBondContact O-N 3.35Å; I789-D791 PolarHBondContact O-N 3.48Å; D791-C793 VanDerWaalsContact C-N 3.28Å |
| 792 | M | 82.7 | Confident | 86.1 | Confident | 71 Ų | 71 | 50.2 Ų | 50.2 | 35% | 0.35 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -10.1 | 174.3 | -65.9 | -58.2 | -59.5 | 0 | 0 | 113 | H788 I789 A790 Q871 | H788-M792 WeakPolarHBondContact O-CG 3.18Å; H788-M792 PolarHBondContact O-N 3.41Å; I789-M792 PolarHBondContact O-N 3.01Å; A790-M792 PolarHBondContact O-N 2.91Å; M792-Q871 HydrophobicContact CE-CB 4.12Å; M792-Q871 HydrophobicContact CE-CG 4.06Å |
| 793 | C | 79.5 | Confident | 85.6 | Confident | 7 Ų | 7 | 51.9 Ų | 51.9 | 5% | 0.047 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -87.2 | 139.9 | 179.4 | -65.3 | 0 | 0 | 0 | 0 | 110.9 | I789 A790 D791 R799 Y865 | I789-C793 PolarHBondContact O-N 3.5Å; I789-C793 PolarHBondContact O-SG 3.44Å; A790-C793 WeakPolarHBondContact O-CB 3.33Å; A790-C793 PolarHBondContact O-N 3.33Å; D791-C793 VanDerWaalsContact C-N 3.28Å; C793-R799 HydrophobicContact CB-CB 4.09Å; C793-R799 HydrophobicContact CB-CG 4.42Å; C793-R799 WeakPolarHBondContact O-CD 3.25Å; C793-Y865 HydrophobicContact CB-CD2 4.14Å |
| 794 | P | 80.1 | Confident | 85.4 | Confident | 73 Ų | 73 | 53.2 Ų | 53.2 | 47% | 0.474 | 28% | 0.283 | S | S | . | . | trans | -63.1 | 167.5 | 167.8 | 29.8 | -34.6 | 0 | 0 | 0 | 110.4 | S796 Y865 | P794-S796 WeakPolarHBondContact O-CB 3.38Å; P794-S796 PolarHBondContact O-N 3.48Å; P794-S796 PolarHBondContact O-OG 3.3Å; P794-Y865 HydrophobicContact CG-CD1 3.48Å; P794-Y865 VanDerWaalsContact CG-CD1 3.48Å; P794-Y865 HydrophobicContact CG-CE1 3.79Å; P794-Y865 HydrophobicContact CG-CG 4.1Å | ||
| 795 | D | 77.7 | Confident | 85.4 | Confident | 119 Ų | 119 | 51.5 Ų | 51.5 | 64% | 0.636 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -60 | 106.7 | 176.6 | -163.7 | 18.8 | 0 | 0 | 0 | 111 | R799 | D795-R799 VanDerWaalsContact CA-CZ 3.48Å; D795-R799 IonicContact OD1-CZ 3.48Å; D795-R799 IonicContact OD1-NE 3.31Å; D795-R799 IonicContact OD1-NH2 2.82Å; D795-R799 PolarHBondContact OD1-NH2 2.92Å; D795-R799 IonicContact OD2-NH2 3.64Å |
| 796 | S | 79.5 | Confident | 85.4 | Confident | 11 Ų | 11 | 50.3 Ų | 50.3 | 8% | 0.077 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -150.8 | 161.4 | -166.6 | 59.4 | 0 | 0 | 0 | 0 | 110.4 | P794 S798 R799 R800 Y865 | P794-S796 WeakPolarHBondContact O-CB 3.38Å; P794-S796 PolarHBondContact O-N 3.48Å; P794-S796 PolarHBondContact O-OG 3.3Å; S796-S798 VanDerWaalsContact C-N 3.32Å; S796-S798 PolarHBondContact O-N 2.86Å; S796-R799 PolarHBondContact O-N 3.3Å; S796-R799 PolarHBondContact OG-N 3.45Å; S796-R800 PolarHBondContact O-N 3.21Å; S796-Y865 WeakPolarHBondContact CB-OH 3.48Å |
| 797 | A | 77.7 | Confident | 85.4 | Confident | 48 Ų | 48 | 56.5 Ų | 56.5 | 40% | 0.397 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -54.8 | -49.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | R799 R800 D801 | A797-R799 VanDerWaalsContact C-N 3.29Å; A797-R799 PolarHBondContact O-N 3.05Å; A797-R800 CarbonylContact O-C 3.57Å; A797-R800 WeakPolarHBondContact O-CA 3.27Å; A797-R800 WeakPolarHBondContact O-CB 3.43Å; A797-R800 PolarHBondContact O-N 2.84Å; A797-D801 VanDerWaalsContact O-CG 3.27Å; A797-D801 PolarHBondContact O-N 3.41Å |
| 798 | S | 80.7 | Confident | 85.6 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 5% | 0.049 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.6 | -39.3 | 178.3 | -61.2 | 0 | 0 | 0 | 0 | 114.3 | S796 L802 E857 | S796-S798 VanDerWaalsContact C-N 3.32Å; S796-S798 PolarHBondContact O-N 2.86Å; S798-L802 WeakPolarHBondContact O-CB 3.43Å; S798-L802 PolarHBondContact O-N 2.96Å; S798-E857 WeakPolarHBondContact CA-OE1 3.44Å; S798-E857 WeakPolarHBondContact CB-OE1 3.37Å; S798-E857 PolarHBondContact OG-OE1 3.15Å |
| 799 | R | 84.9 | Confident | 85.9 | Confident | 82 Ų | 82 | 52 Ų | 52 | 31% | 0.309 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 175.8 | -173.8 | 176.2 | 75 | 167.4 | 6.4 | 111.8 | A790 C793 D795 S796 A797 S803 | A790-R799 HydrophobicContact CB-CG 4.37Å; A790-R799 WeakPolarHBondContact O-CD 3.33Å; A790-R799 WeakPolarHBondContact O-CG 3.35Å; C793-R799 HydrophobicContact CB-CB 4.09Å; C793-R799 HydrophobicContact CB-CG 4.42Å; C793-R799 WeakPolarHBondContact O-CD 3.25Å; D795-R799 VanDerWaalsContact CA-CZ 3.48Å; D795-R799 IonicContact OD1-CZ 3.48Å; D795-R799 IonicContact OD1-NE 3.31Å; D795-R799 IonicContact OD1-NH2 2.82Å; D795-R799 PolarHBondContact OD1-NH2 2.92Å; D795-R799 IonicContact OD2-NH2 3.64Å; S796-R799 PolarHBondContact O-N 3.3Å; S796-R799 PolarHBondContact OG-N 3.45Å; A797-R799 VanDerWaalsContact C-N 3.29Å; A797-R799 PolarHBondContact O-N 3.05Å; R799-S803 VanDerWaalsContact O-CB 3.29Å; R799-S803 WeakPolarHBondContact O-CB 3.45Å; R799-S803 PolarHBondContact O-N 2.67Å; R799-S803 PolarHBondContact O-OG 3.3Å |
| 800 | R | 83.3 | Confident | 86.2 | Confident | 149 Ų | 149 | 55.4 Ų | 55.4 | 56% | 0.562 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -67.6 | -47.1 | 178.3 | -73.5 | -176.8 | -95.2 | 112 | -8.5 | 111.4 | S796 A797 S803 A804 | S796-R800 PolarHBondContact O-N 3.21Å; A797-R800 CarbonylContact O-C 3.57Å; A797-R800 WeakPolarHBondContact O-CA 3.27Å; A797-R800 WeakPolarHBondContact O-CB 3.43Å; A797-R800 PolarHBondContact O-N 2.84Å; R800-S803 PolarHBondContact O-N 2.6Å; R800-A804 WeakPolarHBondContact O-CB 3.34Å; R800-A804 PolarHBondContact O-N 3.41Å |
| 801 | D | 84.8 | Confident | 86.6 | Confident | 62 Ų | 62 | 61.1 Ų | 61.1 | 33% | 0.332 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.6 | -47.6 | 179.3 | -63.3 | -24.8 | 0 | 0 | 0 | 110.8 | A797 S803 A804 Y805 E857 | A797-D801 VanDerWaalsContact O-CG 3.27Å; A797-D801 PolarHBondContact O-N 3.41Å; D801-S803 VanDerWaalsContact C-N 3.32Å; D801-S803 PolarHBondContact O-N 2.73Å; D801-A804 PolarHBondContact O-N 3.22Å; D801-A804 VanDerWaalsContact O-N 3.16Å; D801-Y805 HydrophobicContact CB-CE2 4.02Å; D801-Y805 VanDerWaalsContact O-CD2 3.22Å; D801-Y805 WeakPolarHBondContact O-CD2 3.13Å; D801-Y805 PolarHBondContact O-N 3.05Å; D801-E857 HydrophobicContact CB-CG 4.12Å |
| 802 | L | 89.4 | Confident | 87 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 175.5 | -174 | 54 | 0 | 0 | 0 | 111.1 | C786 I789 A790 S798 A804 Y805 L806 T854 E857 S858 A861 | C786-L802 HydrophobicContact CB-CD1 4.25Å; I789-L802 HydrophobicContact CB-CD2 4.41Å; I789-L802 HydrophobicContact CG2-CD2 4.12Å; A790-L802 HydrophobicContact CB-CD2 3.88Å; A790-L802 HydrophobicContact CB-CG 4.21Å; S798-L802 WeakPolarHBondContact O-CB 3.43Å; S798-L802 PolarHBondContact O-N 2.96Å; L802-A804 VanDerWaalsContact C-N 3.35Å; L802-A804 PolarHBondContact O-N 2.99Å; L802-Y805 PolarHBondContact O-N 2.89Å; L802-L806 HydrophobicContact CD1-CD1 4.45Å; L802-L806 HydrophobicContact CD1-CG 4.37Å; L802-L806 HydrophobicContact CG-CD1 4.14Å; L802-L806 WeakPolarHBondContact O-CB 3.24Å; L802-L806 WeakPolarHBondContact O-CD1 3.33Å; L802-L806 WeakPolarHBondContact O-CG 3.37Å; L802-L806 PolarHBondContact O-N 2.97Å; L802-T854 HydrophobicContact CD1-CG2 3.88Å; L802-E857 HydrophobicContact CB-CB 4.47Å; L802-E857 HydrophobicContact CB-CG 3.99Å; L802-E857 HydrophobicContact CD1-CB 4.28Å; L802-S858 WeakPolarHBondContact CD1-OG 3.22Å; L802-A861 HydrophobicContact CD2-CB 4.22Å |
| 803 | S | 87.8 | Confident | 87.7 | Confident | 35 Ų | 35 | 54.4 Ų | 54.4 | 25% | 0.245 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 176.1 | -61.7 | 0 | 0 | 0 | 0 | 112.7 | R799 R800 D801 L806 Q807 | R799-S803 VanDerWaalsContact O-CB 3.29Å; R799-S803 WeakPolarHBondContact O-CB 3.45Å; R799-S803 PolarHBondContact O-N 2.67Å; R799-S803 PolarHBondContact O-OG 3.3Å; R800-S803 PolarHBondContact O-N 2.6Å; D801-S803 VanDerWaalsContact C-N 3.32Å; D801-S803 PolarHBondContact O-N 2.73Å; S803-L806 PolarHBondContact O-N 3.16Å; S803-Q807 WeakPolarHBondContact O-CG 3.44Å; S803-Q807 PolarHBondContact O-N 2.62Å; S803-Q807 VanDerWaalsContact O-N 3.07Å |
| 804 | A | 88.6 | Confident | 88.3 | Confident | 41 Ų | 41 | 59.8 Ų | 59.8 | 34% | 0.339 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R800 D801 L802 L806 Q807 R808 | R800-A804 WeakPolarHBondContact O-CB 3.34Å; R800-A804 PolarHBondContact O-N 3.41Å; D801-A804 PolarHBondContact O-N 3.22Å; D801-A804 VanDerWaalsContact O-N 3.16Å; L802-A804 VanDerWaalsContact C-N 3.35Å; L802-A804 PolarHBondContact O-N 2.99Å; A804-L806 VanDerWaalsContact C-N 3.32Å; A804-L806 PolarHBondContact O-N 3.39Å; A804-Q807 WeakPolarHBondContact O-CB 3.4Å; A804-Q807 PolarHBondContact O-N 2.63Å; A804-R808 WeakPolarHBondContact O-CG 3.46Å; A804-R808 PolarHBondContact O-N 3.31Å |
| 805 | Y | 94 | Very high | 88.8 | Confident | 46 Ų | 46 | 59 Ų | 59 | 18% | 0.18 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.5 | -37.8 | 175.8 | -59 | -32.9 | 0 | 0 | 0 | 112 | D801 L802 Q807 R808 V809 L853 T854 E857 | D801-Y805 HydrophobicContact CB-CE2 4.02Å; D801-Y805 VanDerWaalsContact O-CD2 3.22Å; D801-Y805 WeakPolarHBondContact O-CD2 3.13Å; D801-Y805 PolarHBondContact O-N 3.05Å; L802-Y805 PolarHBondContact O-N 2.89Å; Y805-Q807 VanDerWaalsContact C-N 3.34Å; Y805-Q807 PolarHBondContact O-N 2.71Å; Y805-R808 WeakPolarHBondContact O-CB 3.42Å; Y805-R808 PolarHBondContact O-N 3.5Å; Y805-V809 WeakPolarHBondContact O-CG2 3.2Å; Y805-V809 PolarHBondContact O-N 2.99Å; Y805-L853 HydrophobicContact CD1-CB 4.17Å; Y805-L853 HydrophobicContact CD1-CD1 4.25Å; Y805-L853 HydrophobicContact CD2-CB 3.92Å; Y805-L853 HydrophobicContact CE1-CB 4.21Å; Y805-L853 HydrophobicContact CE1-CD1 3.87Å; Y805-L853 HydrophobicContact CE2-CB 3.94Å; Y805-L853 HydrophobicContact CG-CB 4.05Å; Y805-T854 WeakPolarHBondContact CB-OG1 3.46Å; Y805-E857 HydrophobicContact CD2-CB 4.04Å; Y805-E857 HydrophobicContact CD2-CG 4.47Å; Y805-E857 HydrophobicContact CE2-CB 4.04Å; Y805-E857 HydrophobicContact CE2-CG 4.29Å |
| 806 | L | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 174.1 | -72.7 | 170.9 | 0 | 0 | 0 | 112.4 | N783 C786 R787 L802 S803 A804 T810 T854 | N783-L806 HydrophobicContact CB-CD2 4.27Å; N783-L806 PolarHBondContact ND2-O 2.85Å; N783-L806 WeakPolarHBondContact OD1-CB 3.36Å; C786-L806 HydrophobicContact CB-CD1 4.09Å; C786-L806 HydrophobicContact CB-CD2 3.45Å; C786-L806 VanDerWaalsContact CB-CD2 3.45Å; C786-L806 HydrophobicContact CB-CG 4.24Å; R787-L806 HydrophobicContact CB-CD1 4.38Å; L802-L806 HydrophobicContact CD1-CD1 4.45Å; L802-L806 HydrophobicContact CD1-CG 4.37Å; L802-L806 HydrophobicContact CG-CD1 4.14Å; L802-L806 WeakPolarHBondContact O-CB 3.24Å; L802-L806 WeakPolarHBondContact O-CD1 3.33Å; L802-L806 WeakPolarHBondContact O-CG 3.37Å; L802-L806 PolarHBondContact O-N 2.97Å; S803-L806 PolarHBondContact O-N 3.16Å; A804-L806 VanDerWaalsContact C-N 3.32Å; A804-L806 PolarHBondContact O-N 3.39Å; L806-T810 PolarHBondContact O-N 3.05Å; L806-T810 VanDerWaalsContact O-N 3.15Å; L806-T810 PolarHBondContact O-OG1 3.14Å; L806-T810 VanDerWaalsContact O-OG1 3.11Å; L806-T854 HydrophobicContact CD2-CG2 3.9Å |
| 807 | Q | 92 | Very high | 90.2 | Very high | 129 Ų | 129 | 54.3 Ų | 54.3 | 60% | 0.603 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -64.8 | -41.8 | 172.7 | -72.1 | 173.8 | -9.9 | 0 | 0 | 111.5 | S803 A804 Y805 T810 F811 | S803-Q807 WeakPolarHBondContact O-CG 3.44Å; S803-Q807 PolarHBondContact O-N 2.62Å; S803-Q807 VanDerWaalsContact O-N 3.07Å; A804-Q807 WeakPolarHBondContact O-CB 3.4Å; A804-Q807 PolarHBondContact O-N 2.63Å; Y805-Q807 VanDerWaalsContact C-N 3.34Å; Y805-Q807 PolarHBondContact O-N 2.71Å; Q807-T810 PolarHBondContact O-N 3.02Å; Q807-F811 WeakPolarHBondContact O-CB 3.21Å; Q807-F811 PolarHBondContact O-N 2.99Å |
| 808 | R | 95.4 | Very high | 90.7 | Very high | 92 Ų | 92 | 56.8 Ų | 56.8 | 35% | 0.347 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 175.3 | -72.4 | 173.8 | 61.7 | 164.9 | 5.9 | 112.4 | A804 Y805 T810 F811 Y812 S850 | A804-R808 WeakPolarHBondContact O-CG 3.46Å; A804-R808 PolarHBondContact O-N 3.31Å; Y805-R808 WeakPolarHBondContact O-CB 3.42Å; Y805-R808 PolarHBondContact O-N 3.5Å; R808-T810 VanDerWaalsContact C-N 3.33Å; R808-T810 PolarHBondContact O-N 3.38Å; R808-F811 PolarHBondContact O-N 2.81Å; R808-Y812 HydrophobicContact CB-CD2 4.2Å; R808-Y812 HydrophobicContact CB-CE2 4.01Å; R808-Y812 HydrophobicContact CG-CE2 4.45Å; R808-Y812 WeakPolarHBondContact O-CD2 3.19Å; R808-Y812 PolarHBondContact O-N 2.92Å; R808-S850 PolarHBondContact NE-OG 3.18Å |
| 809 | V | 94.2 | Very high | 91 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.3 | -47.8 | 174.9 | 169.3 | 0 | 0 | 0 | 0 | 110.2 | L782 Y805 F811 Y812 C813 L847 V851 | L782-V809 HydrophobicContact CD2-CG1 4.47Å; Y805-V809 WeakPolarHBondContact O-CG2 3.2Å; Y805-V809 PolarHBondContact O-N 2.99Å; V809-F811 PolarHBondContact O-N 3.24Å; V809-Y812 PolarHBondContact O-N 2.96Å; V809-C813 WeakPolarHBondContact O-CB 3.34Å; V809-C813 PolarHBondContact O-N 2.95Å; V809-C813 PolarHBondContact O-SG 3.11Å; V809-L847 HydrophobicContact CG1-CD1 4.14Å; V809-V851 HydrophobicContact CG2-CG2 4.14Å |
| 810 | T | 93.9 | Very high | 91.1 | Very high | 80 Ų | 80 | 53.3 Ų | 53.3 | 49% | 0.491 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 176.9 | -57.7 | 0 | 0 | 0 | 0 | 112 | N783 L806 Q807 R808 H814 | N783-T810 PolarHBondContact ND2-OG1 3.1Å; L806-T810 PolarHBondContact O-N 3.05Å; L806-T810 VanDerWaalsContact O-N 3.15Å; L806-T810 PolarHBondContact O-OG1 3.14Å; L806-T810 VanDerWaalsContact O-OG1 3.11Å; Q807-T810 PolarHBondContact O-N 3.02Å; R808-T810 VanDerWaalsContact C-N 3.33Å; R808-T810 PolarHBondContact O-N 3.38Å; T810-H814 PolarHBondContact O-N 2.9Å; T810-H814 VanDerWaalsContact O-N 3.11Å |
| 811 | F | 93.8 | Very high | 91 | Very high | 119 Ų | 119 | 54.1 Ų | 54.1 | 52% | 0.522 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.7 | -48.8 | 178.3 | 175.9 | -97.5 | 0 | 0 | 0 | 111.8 | Q807 R808 V809 H814 Q815 | Q807-F811 WeakPolarHBondContact O-CB 3.21Å; Q807-F811 PolarHBondContact O-N 2.99Å; R808-F811 PolarHBondContact O-N 2.81Å; V809-F811 PolarHBondContact O-N 3.24Å; F811-H814 WeakPolarHBondContact O-CB 3.46Å; F811-H814 PolarHBondContact O-N 2.96Å; F811-Q815 PolarHBondContact O-N 3.36Å |
| 812 | Y | 95.8 | Very high | 90 | Very high | 36 Ų | 36 | 51.2 Ų | 51.2 | 14% | 0.141 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -73.7 | -29.3 | -178.2 | -64.8 | -55.7 | 0 | 0 | 0 | 113.3 | R808 V809 H814 Q815 L816 N846 S850 | R808-Y812 HydrophobicContact CB-CD2 4.2Å; R808-Y812 HydrophobicContact CB-CE2 4.01Å; R808-Y812 HydrophobicContact CG-CE2 4.45Å; R808-Y812 WeakPolarHBondContact O-CD2 3.19Å; R808-Y812 PolarHBondContact O-N 2.92Å; V809-Y812 PolarHBondContact O-N 2.96Å; Y812-H814 VanDerWaalsContact C-N 3.3Å; Y812-Q815 VanDerWaalsContact CD1-OE1 3.29Å; Y812-Q815 PolarHBondContact O-N 3.25Å; Y812-L816 WeakPolarHBondContact O-CB 3.26Å; Y812-L816 PolarHBondContact O-N 2.99Å; Y812-N846 HydrophobicContact CD1-CB 3.62Å; Y812-N846 HydrophobicContact CD2-CB 4.07Å; Y812-N846 HydrophobicContact CE1-CB 3.46Å; Y812-N846 VanDerWaalsContact CE1-CB 3.46Å; Y812-N846 HydrophobicContact CE2-CB 3.91Å; Y812-N846 HydrophobicContact CG-CB 3.94Å; Y812-S850 VanDerWaalsContact CD2-OG 3.25Å; Y812-S850 WeakPolarHBondContact CD2-OG 3.47Å; Y812-S850 VanDerWaalsContact CE2-OG 3.23Å; Y812-S850 WeakPolarHBondContact CE2-OG 3.32Å |
| 813 | C | 95.7 | Very high | 88.8 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 5% | 0.047 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 167.6 | -73.6 | 0 | 0 | 0 | 0 | 111.4 | V809 S817 | V809-C813 WeakPolarHBondContact O-CB 3.34Å; V809-C813 PolarHBondContact O-N 2.95Å; V809-C813 PolarHBondContact O-SG 3.11Å; C813-S817 PolarHBondContact O-N 3.39Å; C813-S817 PolarHBondContact O-OG 3.36Å |
| 814 | H | 92.4 | Very high | 87.3 | Confident | 120 Ų | 120 | 56.2 Ų | 56.2 | 56% | 0.556 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67.1 | -45.8 | 175.8 | -175.7 | 63 | 0 | 0 | 0 | 111.8 | T810 F811 Y812 L816 S817 I818 | T810-H814 PolarHBondContact O-N 2.9Å; T810-H814 VanDerWaalsContact O-N 3.11Å; F811-H814 WeakPolarHBondContact O-CB 3.46Å; F811-H814 PolarHBondContact O-N 2.96Å; Y812-H814 VanDerWaalsContact C-N 3.3Å; H814-L816 VanDerWaalsContact C-N 3.33Å; H814-L816 PolarHBondContact O-N 2.79Å; H814-S817 WeakPolarHBondContact O-CB 3.34Å; H814-S817 PolarHBondContact O-N 2.93Å; H814-S817 VanDerWaalsContact O-N 3.13Å; H814-I818 WeakPolarHBondContact O-CG1 3.47Å; H814-I818 PolarHBondContact O-N 3.45Å; H814-I818 VanDerWaalsContact O-N 3.08Å |
| 815 | Q | 91.5 | Very high | 85.5 | Confident | 57 Ų | 57 | 55.8 Ų | 55.8 | 27% | 0.266 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.3 | -45.8 | 175.5 | -170.8 | 176.9 | 5.7 | 0 | 0 | 111.1 | F811 Y812 S817 I818 T819 A843 | F811-Q815 PolarHBondContact O-N 3.36Å; Y812-Q815 VanDerWaalsContact CD1-OE1 3.29Å; Y812-Q815 PolarHBondContact O-N 3.25Å; Q815-S817 VanDerWaalsContact C-N 3.26Å; Q815-S817 PolarHBondContact O-N 3.49Å; Q815-I818 WeakPolarHBondContact O-CB 3.4Å; Q815-I818 PolarHBondContact O-N 3.35Å; Q815-T819 HydrophobicContact CG-CG2 4.42Å; Q815-T819 WeakPolarHBondContact O-CG2 3.46Å; Q815-T819 PolarHBondContact O-N 2.77Å; Q815-T819 PolarHBondContact O-OG1 2.77Å; Q815-T819 VanDerWaalsContact O-OG1 3.13Å; Q815-A843 HydrophobicContact CB-CB 4.47Å; Q815-A843 HydrophobicContact CG-CB 4.01Å |
| 816 | L | 93.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.7 | -38.7 | 176.9 | -165.6 | 75.8 | 0 | 0 | 0 | 111.8 | M749 M752 I775 Y812 H814 I818 T819 S820 L840 A843 A844 L847 | M749-L816 HydrophobicContact CG-CD2 4.48Å; M752-L816 HydrophobicContact CE-CD1 4.35Å; M752-L816 HydrophobicContact CE-CD2 4.2Å; M752-L816 HydrophobicContact CE-CG 4.04Å; M752-L816 HydrophobicContact SD-CD2 3.93Å; M752-L816 HydrophobicContact SD-CG 4.39Å; I775-L816 HydrophobicContact CB-CD2 4.31Å; I775-L816 HydrophobicContact CD1-CD2 3.51Å; I775-L816 HydrophobicContact CG2-CD2 3.9Å; Y812-L816 WeakPolarHBondContact O-CB 3.26Å; Y812-L816 PolarHBondContact O-N 2.99Å; H814-L816 VanDerWaalsContact C-N 3.33Å; H814-L816 PolarHBondContact O-N 2.79Å; L816-I818 VanDerWaalsContact C-N 3.31Å; L816-I818 PolarHBondContact O-N 3.19Å; L816-T819 WeakPolarHBondContact CA-OG1 3.39Å; L816-T819 PolarHBondContact O-N 3.4Å; L816-T819 PolarHBondContact O-OG1 3.28Å; L816-T819 VanDerWaalsContact O-OG1 3.13Å; L816-S820 WeakPolarHBondContact O-CB 3.44Å; L816-S820 PolarHBondContact O-N 3.37Å; L816-S820 PolarHBondContact O-OG 3.07Å; L816-L840 HydrophobicContact CD1-CD1 3.62Å; L816-L840 HydrophobicContact CG-CD1 4.31Å; L816-A843 HydrophobicContact CB-CB 4.49Å; L816-A843 HydrophobicContact CD1-CB 3.99Å; L816-A844 HydrophobicContact CD1-CB 3.89Å; L816-L847 HydrophobicContact CD2-CD2 4.02Å |
| 817 | S | 91.8 | Very high | 81.5 | Confident | 31 Ų | 31 | 68.9 Ų | 68.9 | 22% | 0.217 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.3 | -25.5 | 176.1 | -57.3 | 0 | 0 | 0 | 0 | 113.9 | S776 C813 H814 Q815 S820 | S776-S817 PolarHBondContact OG-OG 3.41Å; C813-S817 PolarHBondContact O-N 3.39Å; C813-S817 PolarHBondContact O-OG 3.36Å; H814-S817 WeakPolarHBondContact O-CB 3.34Å; H814-S817 PolarHBondContact O-N 2.93Å; H814-S817 VanDerWaalsContact O-N 3.13Å; Q815-S817 VanDerWaalsContact C-N 3.26Å; Q815-S817 PolarHBondContact O-N 3.49Å; S817-S820 PolarHBondContact O-OG 3.39Å; S817-S820 VanDerWaalsContact O-OG 3.07Å |
| 818 | I | 88.3 | Confident | 79.9 | Confident | 100 Ų | 100 | 66.6 Ų | 66.6 | 51% | 0.513 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -77.3 | -48.2 | 173 | -66.5 | 168.7 | 0 | 0 | 0 | 108.9 | H814 Q815 L816 S820 R821 | H814-I818 WeakPolarHBondContact O-CG1 3.47Å; H814-I818 PolarHBondContact O-N 3.45Å; H814-I818 VanDerWaalsContact O-N 3.08Å; Q815-I818 WeakPolarHBondContact O-CB 3.4Å; Q815-I818 PolarHBondContact O-N 3.35Å; L816-I818 VanDerWaalsContact C-N 3.31Å; L816-I818 PolarHBondContact O-N 3.19Å; I818-S820 VanDerWaalsContact C-N 3.31Å; I818-S820 PolarHBondContact O-N 3.11Å; I818-R821 PolarHBondContact O-N 2.96Å |
| 819 | T | 88.3 | Confident | 78.5 | Confident | 15 Ų | 15 | 67.9 Ų | 67.9 | 9% | 0.092 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -74.2 | -19.1 | -176.8 | 57.3 | 0 | 0 | 0 | 0 | 113.6 | Q815 L816 R821 L840 | Q815-T819 HydrophobicContact CG-CG2 4.42Å; Q815-T819 WeakPolarHBondContact O-CG2 3.46Å; Q815-T819 PolarHBondContact O-N 2.77Å; Q815-T819 PolarHBondContact O-OG1 2.77Å; Q815-T819 VanDerWaalsContact O-OG1 3.13Å; L816-T819 WeakPolarHBondContact CA-OG1 3.39Å; L816-T819 PolarHBondContact O-N 3.4Å; L816-T819 PolarHBondContact O-OG1 3.28Å; L816-T819 VanDerWaalsContact O-OG1 3.13Å; T819-R821 PolarHBondContact O-N 2.79Å; T819-L840 WeakPolarHBondContact OG1-CD1 3.32Å |
| 820 | S | 85.8 | Confident | 77.5 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -15.1 | 176.7 | 66.8 | 0 | 0 | 0 | 0 | 113.5 | L816 S817 I818 V822 | L816-S820 WeakPolarHBondContact O-CB 3.44Å; L816-S820 PolarHBondContact O-N 3.37Å; L816-S820 PolarHBondContact O-OG 3.07Å; S817-S820 PolarHBondContact O-OG 3.39Å; S817-S820 VanDerWaalsContact O-OG 3.07Å; I818-S820 VanDerWaalsContact C-N 3.31Å; I818-S820 PolarHBondContact O-N 3.11Å; S820-V822 PolarHBondContact O-N 3.23Å |
| 821 | R | 82.1 | Confident | 76.7 | Confident | 166 Ų | 166 | 70.6 Ų | 70.6 | 63% | 0.626 | 36% | 0.359 | S | S | * | . | trans | -78.4 | 60.9 | 173.1 | -62.2 | 175.6 | -179.6 | -104.7 | -0.2 | 110 | I769 I818 T819 K823 | I769-R821 HydrophobicContact CD1-CG 4.12Å; I769-R821 HydrophobicContact CG1-CG 4.24Å; I818-R821 PolarHBondContact O-N 2.96Å; T819-R821 PolarHBondContact O-N 2.79Å; R821-K823 PolarHBondContact O-N 3.08Å | ||
| 822 | V | 64.6 | Low | 76 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.012 | 35% | 0.35 | C | S | . | . | trans | -60.8 | 118.3 | 176.1 | -170.8 | 0 | 0 | 0 | 0 | 107.6 | V698 T765 S820 A824 L840 | V698-V822 HydrophobicContact CG1-CG1 4.31Å; V698-V822 HydrophobicContact CG2-CG1 4.24Å; T765-V822 HydrophobicContact CG2-CB 4.39Å; T765-V822 WeakPolarHBondContact CG2-O 3.43Å; T765-V822 PolarHBondContact OG1-O 3.37Å; S820-V822 PolarHBondContact O-N 3.23Å; V822-A824 PolarHBondContact O-N 3.44Å; V822-L840 HydrophobicContact CG2-CD2 4.1Å | ||
| 823 | K | 63.2 | Low | 75.1 | Confident | 107 Ų | 107 | 66.9 Ų | 66.9 | 47% | 0.465 | 35% | 0.345 | S | S | . | . | trans | -77.3 | 86.7 | -176.8 | -64.9 | -175.3 | -171.7 | 173.7 | 0 | 110.3 | R821 M828 E832 | R821-K823 PolarHBondContact O-N 3.08Å; K823-M828 HydrophobicContact CB-CG 4.27Å; K823-M828 HydrophobicContact CD-SD 4.11Å; K823-E832 IonicContact NZ-OE2 3.09Å; K823-E832 PolarHBondContact NZ-OE2 3.23Å | ||
| 824 | A | 56.7 | Low | 74.5 | Confident | 32 Ų | 32 | 68.3 Ų | 68.3 | 26% | 0.264 | 35% | 0.35 | S | S | . | . | trans | -86 | 121 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | E694 V698 V822 | E694-A824 HydrophobicContact CB-CB 4.06Å; E694-A824 HydrophobicContact CG-CB 4.21Å; V698-A824 HydrophobicContact CG2-CB 4.38Å; V822-A824 PolarHBondContact O-N 3.44Å | ||
| 825 | G | 50.8 | Low | 74.1 | Confident | 33 Ų | 33 | 68.8 Ų | 68.8 | 34% | 0.34 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 174.3 | 140 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | H827 M828 | G825-H827 PolarHBondContact O-N 3.42Å; G825-M828 PolarHBondContact O-N 2.97Å |
| 826 | V | 48.2 | Very low | 73.9 | Confident | 134 Ų | 134 | 67.1 Ų | 67.1 | 81% | 0.812 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -12.9 | -172.9 | -170.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 827 | H | 52.7 | Low | 73.5 | Confident | 186 Ų | 186 | 67.1 Ų | 67.1 | 86% | 0.861 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | 7.5 | -179 | -68.5 | -57.8 | 0 | 0 | 0 | 115.2 | G825 | G825-H827 PolarHBondContact O-N 3.42Š|
| 828 | M | 58.7 | Low | 73.2 | Confident | 81 Ų | 81 | 66.8 Ų | 66.8 | 40% | 0.399 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -94.1 | 145.1 | 179 | -64.9 | -66 | 154.5 | 0 | 0 | 112.4 | K823 G825 I833 | K823-M828 HydrophobicContact CB-CG 4.27Å; K823-M828 HydrophobicContact CD-SD 4.11Å; G825-M828 PolarHBondContact O-N 2.97Å; M828-I833 HydrophobicContact CB-CD1 4.34Å; M828-I833 HydrophobicContact CB-CG1 4.37Å |
| 829 | L | 66.8 | Low | 73.3 | Confident | 119 Ų | 119 | 64 Ų | 64 | 62% | 0.623 | 33% | 0.334 | S | S | * | . | trans | -71.3 | 141 | 173.4 | -63.5 | 170.1 | 0 | 0 | 0 | 109.8 | D831 E832 | L829-D831 PolarHBondContact O-N 3.18Å; L829-D831 VanDerWaalsContact O-N 3.15Å; L829-E832 PolarHBondContact O-N 2.85Å; L829-E832 VanDerWaalsContact O-N 3.1Å | ||
| 830 | S | 72.4 | Confident | 73.5 | Confident | 30 Ų | 30 | 63.3 Ų | 63.3 | 21% | 0.21 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -54.8 | -33.9 | 178.9 | 58.8 | 0 | 0 | 0 | 0 | 112.8 | V701 Q706 E832 I833 F834 | V701-S830 WeakPolarHBondContact O-CB 3.4Å; Q706-S830 PolarHBondContact NE2-OG 3.06Å; S830-E832 PolarHBondContact O-N 3.4Å; S830-I833 PolarHBondContact O-N 3.16Å; S830-F834 WeakPolarHBondContact O-CB 3.4Å; S830-F834 PolarHBondContact O-N 2.83Å |
| 831 | D | 77.2 | Confident | 73.7 | Confident | 107 Ų | 107 | 63.4 Ų | 63.4 | 57% | 0.572 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.5 | -40.1 | 178.1 | -68.5 | -37.8 | 0 | 0 | 0 | 113 | Q706 L829 F834 E835 | Q706-D831 PolarHBondContact NE2-OD1 2.9Å; L829-D831 PolarHBondContact O-N 3.18Å; L829-D831 VanDerWaalsContact O-N 3.15Å; D831-F834 PolarHBondContact O-N 2.86Å; D831-E835 WeakPolarHBondContact O-CB 3.41Å; D831-E835 PolarHBondContact O-N 3.32Å |
| 832 | E | 79.4 | Confident | 74 | Confident | 73 Ų | 73 | 58.2 Ų | 58.2 | 34% | 0.341 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.4 | -38.6 | 179.1 | -70.1 | -167.3 | -157.5 | 0 | 0 | 111.9 | K823 L829 S830 S836 | K823-E832 IonicContact NZ-OE2 3.09Å; K823-E832 PolarHBondContact NZ-OE2 3.23Å; L829-E832 PolarHBondContact O-N 2.85Å; L829-E832 VanDerWaalsContact O-N 3.1Å; S830-E832 PolarHBondContact O-N 3.4Å; E832-S836 WeakPolarHBondContact O-CB 3.46Å; E832-S836 PolarHBondContact O-N 3.18Å |
| 833 | I | 77.8 | Confident | 75.3 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.9 | -45 | 177.4 | -60.6 | 174.5 | 0 | 0 | 0 | 109.5 | V698 V701 L702 M828 S830 S836 A837 | V698-I833 HydrophobicContact CG1-CG2 4.15Å; V701-I833 HydrophobicContact CB-CD1 4.3Å; V701-I833 HydrophobicContact CG1-CD1 3.98Å; L702-I833 HydrophobicContact CD2-CG2 4.3Å; M828-I833 HydrophobicContact CB-CD1 4.34Å; M828-I833 HydrophobicContact CB-CG1 4.37Å; S830-I833 PolarHBondContact O-N 3.16Å; I833-S836 PolarHBondContact O-N 3.37Å; I833-A837 WeakPolarHBondContact O-CB 3.46Å; I833-A837 PolarHBondContact O-N 3.39Å |
| 834 | F | 82.7 | Confident | 76.8 | Confident | 37 Ų | 37 | 53 Ų | 53 | 16% | 0.162 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 176.9 | 171.8 | -108.2 | 0 | 0 | 0 | 112.3 | L702 Q706 T709 M710 S830 D831 S836 A837 T838 | L702-F834 HydrophobicContact CD2-CB 3.77Å; L702-F834 HydrophobicContact CD2-CD2 4.5Å; Q706-F834 HydrophobicContact CB-CB 4.19Å; Q706-F834 HydrophobicContact CB-CD2 3.5Å; Q706-F834 VanDerWaalsContact CB-CD2 3.5Å; Q706-F834 HydrophobicContact CB-CE2 4.02Å; Q706-F834 HydrophobicContact CB-CG 3.79Å; Q706-F834 HydrophobicContact CG-CB 3.94Å; Q706-F834 HydrophobicContact CG-CD1 3.96Å; Q706-F834 HydrophobicContact CG-CD2 3.86Å; Q706-F834 HydrophobicContact CG-CE1 4.49Å; Q706-F834 HydrophobicContact CG-CE2 4.41Å; Q706-F834 HydrophobicContact CG-CG 3.61Å; Q706-F834 WeakPolarHBondContact O-CD2 3.48Å; Q706-F834 WeakPolarHBondContact O-CE2 3.32Å; T709-F834 VanDerWaalsContact CB-CZ 3.49Å; T709-F834 HydrophobicContact CG2-CE2 4.24Å; T709-F834 HydrophobicContact CG2-CZ 3.63Å; M710-F834 HydrophobicContact CB-CD2 4.46Å; M710-F834 HydrophobicContact CB-CE2 4.13Å; S830-F834 WeakPolarHBondContact O-CB 3.4Å; S830-F834 PolarHBondContact O-N 2.83Å; D831-F834 PolarHBondContact O-N 2.86Å; F834-S836 VanDerWaalsContact C-N 3.33Å; F834-S836 PolarHBondContact O-N 2.94Å; F834-A837 PolarHBondContact O-N 3.04Å; F834-T838 HydrophobicContact CD2-CG2 4.02Å; F834-T838 HydrophobicContact CE1-CG2 4.35Å; F834-T838 HydrophobicContact CE2-CG2 3.45Å; F834-T838 VanDerWaalsContact CE2-CG2 3.45Å; F834-T838 HydrophobicContact CZ-CG2 3.65Å; F834-T838 WeakPolarHBondContact O-CG2 3.31Å; F834-T838 PolarHBondContact O-N 3.43Å; F834-T838 PolarHBondContact O-OG1 3.35Å |
| 835 | E | 84.2 | Confident | 78.5 | Confident | 130 Ų | 130 | 54 Ų | 54 | 61% | 0.607 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63 | -40 | 177.3 | -171.5 | 178.7 | -176.7 | 0 | 0 | 111.6 | D831 T838 S839 | D831-E835 WeakPolarHBondContact O-CB 3.41Å; D831-E835 PolarHBondContact O-N 3.32Å; E835-T838 WeakPolarHBondContact CA-OG1 3.43Å; E835-T838 PolarHBondContact O-OG1 3.04Å; E835-T838 VanDerWaalsContact O-OG1 3.05Å; E835-S839 WeakPolarHBondContact O-CB 3.48Å; E835-S839 PolarHBondContact O-N 2.75Å; E835-S839 PolarHBondContact O-OG 2.94Å |
| 836 | S | 85.9 | Confident | 80.5 | Confident | 22 Ų | 22 | 54.1 Ų | 54.1 | 15% | 0.154 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 175.6 | -172.9 | 0 | 0 | 0 | 0 | 112.2 | E832 I833 F834 L840 | E832-S836 WeakPolarHBondContact O-CB 3.46Å; E832-S836 PolarHBondContact O-N 3.18Å; I833-S836 PolarHBondContact O-N 3.37Å; F834-S836 VanDerWaalsContact C-N 3.33Å; F834-S836 PolarHBondContact O-N 2.94Å; S836-L840 WeakPolarHBondContact O-CB 3.48Å; S836-L840 PolarHBondContact O-N 3.48Å |
| 837 | A | 86.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.5 | -45.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112 | M710 I756 I833 F834 L840 I841 | M710-A837 HydrophobicContact CE-CB 3.93Å; M710-A837 HydrophobicContact SD-CB 4.32Å; I756-A837 HydrophobicContact CB-CB 4.49Å; I756-A837 HydrophobicContact CG2-CB 4.35Å; I833-A837 WeakPolarHBondContact O-CB 3.46Å; I833-A837 PolarHBondContact O-N 3.39Å; F834-A837 PolarHBondContact O-N 3.04Å; A837-L840 WeakPolarHBondContact O-CB 3.44Å; A837-L840 PolarHBondContact O-N 2.91Å; A837-I841 WeakPolarHBondContact O-CG1 3.47Å; A837-I841 PolarHBondContact O-N 3.04Å |
| 838 | T | 86.2 | Confident | 84.9 | Confident | 23 Ų | 23 | 38.9 Ų | 38.9 | 14% | 0.141 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 175.6 | 49.5 | 0 | 0 | 0 | 0 | 111.7 | E713 F834 E835 L840 I841 Q842 | E713-T838 HydrophobicContact CG-CG2 4.37Å; F834-T838 HydrophobicContact CD2-CG2 4.02Å; F834-T838 HydrophobicContact CE1-CG2 4.35Å; F834-T838 HydrophobicContact CE2-CG2 3.45Å; F834-T838 VanDerWaalsContact CE2-CG2 3.45Å; F834-T838 HydrophobicContact CZ-CG2 3.65Å; F834-T838 WeakPolarHBondContact O-CG2 3.31Å; F834-T838 PolarHBondContact O-N 3.43Å; F834-T838 PolarHBondContact O-OG1 3.35Å; E835-T838 WeakPolarHBondContact CA-OG1 3.43Å; E835-T838 PolarHBondContact O-OG1 3.04Å; E835-T838 VanDerWaalsContact O-OG1 3.05Å; T838-L840 VanDerWaalsContact C-N 3.28Å; T838-L840 PolarHBondContact O-N 2.86Å; T838-I841 PolarHBondContact O-N 3.4Å; T838-Q842 WeakPolarHBondContact O-CB 3.47Å; T838-Q842 PolarHBondContact O-N 2.94Å |
| 839 | S | 90.1 | Very high | 86.5 | Confident | 43 Ų | 43 | 36.3 Ų | 36.3 | 30% | 0.301 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.7 | -38.7 | 174.2 | -64.1 | 0 | 0 | 0 | 0 | 112.3 | E835 A843 | E835-S839 WeakPolarHBondContact O-CB 3.48Å; E835-S839 PolarHBondContact O-N 2.75Å; E835-S839 PolarHBondContact O-OG 2.94Å; S839-A843 VanDerWaalsContact O-CB 3.24Å; S839-A843 WeakPolarHBondContact O-CB 3.25Å; S839-A843 PolarHBondContact O-N 2.69Å |
| 840 | L | 92.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.1 | -46.6 | 176.1 | -179 | 66.2 | 0 | 0 | 0 | 112 | M752 I756 V768 L816 T819 V822 S836 A837 T838 Q842 A843 A844 | M752-L840 HydrophobicContact CE-CD1 3.78Å; I756-L840 HydrophobicContact CG2-CD2 3.93Å; V768-L840 HydrophobicContact CG1-CD2 4.22Å; L816-L840 HydrophobicContact CD1-CD1 3.62Å; L816-L840 HydrophobicContact CG-CD1 4.31Å; T819-L840 WeakPolarHBondContact OG1-CD1 3.32Å; V822-L840 HydrophobicContact CG2-CD2 4.1Å; S836-L840 WeakPolarHBondContact O-CB 3.48Å; S836-L840 PolarHBondContact O-N 3.48Å; A837-L840 WeakPolarHBondContact O-CB 3.44Å; A837-L840 PolarHBondContact O-N 2.91Å; T838-L840 VanDerWaalsContact C-N 3.28Å; T838-L840 PolarHBondContact O-N 2.86Å; L840-Q842 PolarHBondContact O-N 3.29Å; L840-A843 PolarHBondContact O-N 3.35Å; L840-A844 WeakPolarHBondContact O-CB 3.12Å; L840-A844 PolarHBondContact O-N 3.28Å |
| 841 | I | 88.7 | Confident | 88.9 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.9 | -48.8 | 176.8 | -64.5 | 165.3 | 0 | 0 | 0 | 110.2 | M710 E713 L714 F717 T753 I756 A837 T838 A843 A844 K845 | M710-I841 HydrophobicContact CG-CD1 3.89Å; E713-I841 HydrophobicContact CB-CB 4.41Å; E713-I841 HydrophobicContact CB-CD1 4.12Å; E713-I841 HydrophobicContact CB-CG2 3.98Å; E713-I841 WeakPolarHBondContact O-CG2 3.32Å; L714-I841 HydrophobicContact CB-CD1 4.39Å; F717-I841 HydrophobicContact CB-CG2 3.78Å; F717-I841 HydrophobicContact CG-CG2 4.42Å; T753-I841 HydrophobicContact CG2-CG1 4.23Å; I756-I841 HydrophobicContact CD1-CD1 3.48Å; I756-I841 VanDerWaalsContact CD1-CD1 3.48Å; I756-I841 HydrophobicContact CD1-CG1 3.27Å; A837-I841 WeakPolarHBondContact O-CG1 3.47Å; A837-I841 PolarHBondContact O-N 3.04Å; T838-I841 PolarHBondContact O-N 3.4Å; I841-A843 PolarHBondContact O-N 3.06Å; I841-A844 PolarHBondContact O-N 2.94Å; I841-K845 WeakPolarHBondContact O-CB 3.27Å; I841-K845 PolarHBondContact O-N 2.72Å |
| 842 | Q | 89.7 | Confident | 89.6 | Confident | 57 Ų | 57 | 24.5 Ų | 24.5 | 27% | 0.266 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -66.8 | -38.5 | -177.7 | -173.7 | 56.9 | 47.1 | 0 | 0 | 111.9 | E713 T838 L840 K845 N846 | E713-Q842 PolarHBondContact OE2-OE1 3.13Å; T838-Q842 WeakPolarHBondContact O-CB 3.47Å; T838-Q842 PolarHBondContact O-N 2.94Å; L840-Q842 PolarHBondContact O-N 3.29Å; Q842-K845 PolarHBondContact O-N 2.99Å; Q842-N846 VanDerWaalsContact NE2-CG 3.33Å; Q842-N846 PolarHBondContact NE2-ND2 3.33Å; Q842-N846 PolarHBondContact NE2-OD1 3.17Å; Q842-N846 VanDerWaalsContact O-CB 3.31Å; Q842-N846 WeakPolarHBondContact O-CB 3.35Å; Q842-N846 PolarHBondContact O-N 3.09Å; Q842-N846 PolarHBondContact O-ND2 3.06Å |
| 843 | A | 92.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.2 | -44 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q815 L816 S839 L840 I841 N846 L847 | Q815-A843 HydrophobicContact CB-CB 4.47Å; Q815-A843 HydrophobicContact CG-CB 4.01Å; L816-A843 HydrophobicContact CB-CB 4.49Å; L816-A843 HydrophobicContact CD1-CB 3.99Å; S839-A843 VanDerWaalsContact O-CB 3.24Å; S839-A843 WeakPolarHBondContact O-CB 3.25Å; S839-A843 PolarHBondContact O-N 2.69Å; L840-A843 PolarHBondContact O-N 3.35Å; I841-A843 PolarHBondContact O-N 3.06Å; A843-N846 PolarHBondContact O-N 3.29Å; A843-L847 WeakPolarHBondContact O-CB 3.42Å; A843-L847 PolarHBondContact O-N 3.46Å |
| 844 | A | 94.7 | Very high | 91 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.3 | -44.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | F717 M749 T753 L816 L840 I841 L847 M848 | F717-A844 HydrophobicContact CD2-CB 4.17Å; F717-A844 HydrophobicContact CE2-CB 3.67Å; F717-A844 HydrophobicContact CZ-CB 4.46Å; M749-A844 HydrophobicContact CB-CB 4.3Å; M749-A844 HydrophobicContact CG-CB 4.21Å; M749-A844 HydrophobicContact SD-CB 4.22Å; T753-A844 HydrophobicContact CG2-CB 4.24Å; L816-A844 HydrophobicContact CD1-CB 3.89Å; L840-A844 WeakPolarHBondContact O-CB 3.12Å; L840-A844 PolarHBondContact O-N 3.28Å; I841-A844 PolarHBondContact O-N 2.94Å; A844-L847 PolarHBondContact O-N 3.24Å; A844-M848 WeakPolarHBondContact O-CB 3.37Å; A844-M848 PolarHBondContact O-N 2.88Å |
| 845 | K | 91.5 | Very high | 91.5 | Very high | 52 Ų | 52 | 21 Ų | 21 | 23% | 0.226 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.9 | -50.5 | 175.1 | -176.2 | -179.2 | 172.5 | -171.6 | 0 | 111.5 | F717 E720 I841 Q842 L847 M848 T849 | F717-K845 HydrophobicContact CB-CB 4.45Å; F717-K845 HydrophobicContact CD2-CB 3.97Å; E720-K845 HydrophobicContact CB-CG 4.15Å; E720-K845 HydrophobicContact CG-CG 4.31Å; I841-K845 WeakPolarHBondContact O-CB 3.27Å; I841-K845 PolarHBondContact O-N 2.72Å; Q842-K845 PolarHBondContact O-N 2.99Å; K845-L847 VanDerWaalsContact C-N 3.35Å; K845-L847 PolarHBondContact O-N 2.91Å; K845-M848 WeakPolarHBondContact O-CB 3.32Å; K845-M848 PolarHBondContact O-N 3.3Å; K845-T849 PolarHBondContact O-N 3.44Å; K845-T849 PolarHBondContact O-OG1 3.19Å |
| 846 | N | 93.5 | Very high | 91.8 | Very high | 36 Ų | 36 | 19.3 Ų | 19.3 | 19% | 0.193 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.7 | -39.5 | 179.1 | -75.8 | -21.2 | 0 | 0 | 0 | 113 | Y812 Q842 A843 S850 | Y812-N846 HydrophobicContact CD1-CB 3.62Å; Y812-N846 HydrophobicContact CD2-CB 4.07Å; Y812-N846 HydrophobicContact CE1-CB 3.46Å; Y812-N846 VanDerWaalsContact CE1-CB 3.46Å; Y812-N846 HydrophobicContact CE2-CB 3.91Å; Y812-N846 HydrophobicContact CG-CB 3.94Å; Q842-N846 VanDerWaalsContact NE2-CG 3.33Å; Q842-N846 PolarHBondContact NE2-ND2 3.33Å; Q842-N846 PolarHBondContact NE2-OD1 3.17Å; Q842-N846 VanDerWaalsContact O-CB 3.31Å; Q842-N846 WeakPolarHBondContact O-CB 3.35Å; Q842-N846 PolarHBondContact O-N 3.09Å; Q842-N846 PolarHBondContact O-ND2 3.06Å; A843-N846 PolarHBondContact O-N 3.29Å; N846-S850 WeakPolarHBondContact O-CB 3.43Å; N846-S850 PolarHBondContact O-N 3.03Å; N846-S850 PolarHBondContact O-OG 3.16Å |
| 847 | L | 97 | Very high | 91.9 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.7 | -47.2 | 174.3 | 179.9 | 55.9 | 0 | 0 | 0 | 110.5 | M745 M749 I775 V809 L816 A843 A844 K845 T849 S850 V851 | M745-L847 HydrophobicContact CE-CD1 4.09Å; M745-L847 HydrophobicContact CE-CD2 4.1Å; M745-L847 HydrophobicContact CE-CG 4.29Å; M749-L847 HydrophobicContact SD-CB 3.89Å; M749-L847 HydrophobicContact SD-CD2 3.8Å; M749-L847 HydrophobicContact SD-CG 3.88Å; I775-L847 HydrophobicContact CG2-CD2 3.48Å; I775-L847 VanDerWaalsContact CG2-CD2 3.48Å; V809-L847 HydrophobicContact CG1-CD1 4.14Å; L816-L847 HydrophobicContact CD2-CD2 4.02Å; A843-L847 WeakPolarHBondContact O-CB 3.42Å; A843-L847 PolarHBondContact O-N 3.46Å; A844-L847 PolarHBondContact O-N 3.24Å; K845-L847 VanDerWaalsContact C-N 3.35Å; K845-L847 PolarHBondContact O-N 2.91Å; L847-T849 PolarHBondContact O-N 2.99Å; L847-S850 PolarHBondContact O-N 3.42Å; L847-S850 VanDerWaalsContact O-N 3.09Å; L847-V851 HydrophobicContact CD1-CG2 4.01Å; L847-V851 HydrophobicContact CG-CG2 4.33Å; L847-V851 WeakPolarHBondContact O-CG2 3.44Å; L847-V851 PolarHBondContact O-N 2.8Å |
| 848 | M | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.9 | -47.8 | 178.9 | -169.2 | 177.7 | -70.1 | 0 | 0 | 112.3 | F717 E720 K721 F724 M749 A844 K845 S850 V851 V852 | F717-M848 HydrophobicContact CD2-CE 4.38Å; F717-M848 HydrophobicContact CE2-CE 3.45Å; F717-M848 VanDerWaalsContact CE2-CE 3.45Å; F717-M848 HydrophobicContact CE2-SD 4.42Å; F717-M848 HydrophobicContact CZ-CE 3.53Å; E720-M848 HydrophobicContact CG-SD 4.41Å; K721-M848 WeakPolarHBondContact CA-SD 3.45Å; K721-M848 HydrophobicContact CB-CE 4.21Å; K721-M848 HydrophobicContact CB-SD 3.85Å; K721-M848 HydrophobicContact CG-CE 4.44Å; K721-M848 HydrophobicContact CG-SD 4.48Å; K721-M848 PolarHBondContact N-SD 2.92Å; K721-M848 VanDerWaalsContact N-SD 3.44Å; F724-M848 HydrophobicContact CB-CG 3.78Å; F724-M848 HydrophobicContact CB-SD 3.94Å; F724-M848 HydrophobicContact CD2-CG 3.41Å; F724-M848 VanDerWaalsContact CD2-CG 3.41Å; F724-M848 WeakPolarHBondContact CD2-O 3.21Å; F724-M848 HydrophobicContact CE2-CG 4.1Å; F724-M848 HydrophobicContact CG-CG 3.68Å; F724-M848 HydrophobicContact CG-SD 4.26Å; M749-M848 HydrophobicContact CB-CE 4.35Å; M749-M848 HydrophobicContact CE-CB 3.8Å; M749-M848 HydrophobicContact CE-CE 3.9Å; M749-M848 HydrophobicContact CE-CG 4.14Å; M749-M848 HydrophobicContact SD-CB 4.23Å; A844-M848 WeakPolarHBondContact O-CB 3.37Å; A844-M848 PolarHBondContact O-N 2.88Å; K845-M848 WeakPolarHBondContact O-CB 3.32Å; K845-M848 PolarHBondContact O-N 3.3Å; M848-S850 VanDerWaalsContact C-N 3.31Å; M848-S850 PolarHBondContact O-N 2.72Å; M848-V851 PolarHBondContact O-N 3.37Å; M848-V852 PolarHBondContact O-N 3.38Å |
| 849 | T | 92.3 | Very high | 92.2 | Very high | 28 Ų | 28 | 22.3 Ų | 22.3 | 17% | 0.172 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.5 | -43.9 | 173.2 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | E720 K845 L847 V851 V852 L853 | E720-T849 WeakPolarHBondContact CG-OG1 3.23Å; E720-T849 WeakPolarHBondContact OE1-CA 3.27Å; E720-T849 WeakPolarHBondContact OE1-CB 3.48Å; E720-T849 PolarHBondContact OE1-OG1 3.47Å; K845-T849 PolarHBondContact O-N 3.44Å; K845-T849 PolarHBondContact O-OG1 3.19Å; L847-T849 PolarHBondContact O-N 2.99Å; T849-V851 PolarHBondContact O-N 2.94Å; T849-V852 WeakPolarHBondContact O-CG1 3.31Å; T849-V852 PolarHBondContact O-N 3.43Å; T849-L853 HydrophobicContact CG2-CD1 4.1Å; T849-L853 VanDerWaalsContact O-CG 3.3Å; T849-L853 WeakPolarHBondContact O-CG 3.47Å; T849-L853 PolarHBondContact O-N 3.34Å |
| 850 | S | 93.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.5 | -36.6 | -179.3 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | R808 Y812 N846 L847 M848 T854 | R808-S850 PolarHBondContact NE-OG 3.18Å; Y812-S850 VanDerWaalsContact CD2-OG 3.25Å; Y812-S850 WeakPolarHBondContact CD2-OG 3.47Å; Y812-S850 VanDerWaalsContact CE2-OG 3.23Å; Y812-S850 WeakPolarHBondContact CE2-OG 3.32Å; N846-S850 WeakPolarHBondContact O-CB 3.43Å; N846-S850 PolarHBondContact O-N 3.03Å; N846-S850 PolarHBondContact O-OG 3.16Å; L847-S850 PolarHBondContact O-N 3.42Å; L847-S850 VanDerWaalsContact O-N 3.09Å; M848-S850 VanDerWaalsContact C-N 3.31Å; M848-S850 PolarHBondContact O-N 2.72Å; S850-T854 WeakPolarHBondContact O-CB 3.42Å; S850-T854 PolarHBondContact O-N 2.87Å; S850-T854 PolarHBondContact O-OG1 3.07Å |
| 851 | V | 95.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.6 | -45 | 176.4 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | F724 A742 M745 L782 V809 L847 M848 T849 L853 T854 V855 | F724-V851 HydrophobicContact CE2-CB 3.92Å; F724-V851 HydrophobicContact CE2-CG1 3.66Å; F724-V851 HydrophobicContact CZ-CG1 3.99Å; A742-V851 HydrophobicContact CB-CG1 3.8Å; M745-V851 HydrophobicContact CE-CG2 3.8Å; M745-V851 HydrophobicContact SD-CG2 4.15Å; L782-V851 HydrophobicContact CD1-CG1 4.02Å; V809-V851 HydrophobicContact CG2-CG2 4.14Å; L847-V851 HydrophobicContact CD1-CG2 4.01Å; L847-V851 HydrophobicContact CG-CG2 4.33Å; L847-V851 WeakPolarHBondContact O-CG2 3.44Å; L847-V851 PolarHBondContact O-N 2.8Å; M848-V851 PolarHBondContact O-N 3.37Å; T849-V851 PolarHBondContact O-N 2.94Å; V851-L853 PolarHBondContact O-N 3.38Å; V851-T854 WeakPolarHBondContact O-CB 3.42Å; V851-T854 PolarHBondContact O-N 2.96Å; V851-V855 HydrophobicContact CG1-CG2 4.49Å; V851-V855 WeakPolarHBondContact O-CG2 3.19Å; V851-V855 PolarHBondContact O-N 3.07Å |
| 852 | V | 91.8 | Very high | 91.1 | Very high | 7 Ų | 7 | 24 Ų | 24 | 4% | 0.042 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65 | -39.3 | 178.2 | 65 | 0 | 0 | 0 | 0 | 112.1 | F724 E727 M848 T849 T854 V855 K856 | F724-V852 HydrophobicContact CD2-CB 3.71Å; F724-V852 HydrophobicContact CD2-CG1 4.38Å; F724-V852 HydrophobicContact CE2-CB 4.2Å; E727-V852 HydrophobicContact CB-CG2 3.71Å; E727-V852 HydrophobicContact CG-CG2 3.92Å; M848-V852 PolarHBondContact O-N 3.38Å; T849-V852 WeakPolarHBondContact O-CG1 3.31Å; T849-V852 PolarHBondContact O-N 3.43Å; V852-T854 VanDerWaalsContact C-N 3.33Å; V852-T854 PolarHBondContact O-N 3.4Å; V852-V855 PolarHBondContact O-N 2.94Å; V852-K856 HydrophobicContact CG2-CD 4.35Å; V852-K856 WeakPolarHBondContact O-CG 3.35Å; V852-K856 PolarHBondContact O-N 3.34Å |
| 853 | L | 92.8 | Very high | 90.5 | Very high | 43 Ų | 43 | 23.7 Ų | 23.7 | 23% | 0.225 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.2 | -42.2 | 173.5 | -71 | 173.4 | 0 | 0 | 0 | 111.2 | Y805 T849 V851 V855 K856 E857 | Y805-L853 HydrophobicContact CD1-CB 4.17Å; Y805-L853 HydrophobicContact CD1-CD1 4.25Å; Y805-L853 HydrophobicContact CD2-CB 3.92Å; Y805-L853 HydrophobicContact CE1-CB 4.21Å; Y805-L853 HydrophobicContact CE1-CD1 3.87Å; Y805-L853 HydrophobicContact CE2-CB 3.94Å; Y805-L853 HydrophobicContact CG-CB 4.05Å; T849-L853 HydrophobicContact CG2-CD1 4.1Å; T849-L853 VanDerWaalsContact O-CG 3.3Å; T849-L853 WeakPolarHBondContact O-CG 3.47Å; T849-L853 PolarHBondContact O-N 3.34Å; V851-L853 PolarHBondContact O-N 3.38Å; L853-V855 PolarHBondContact O-N 2.98Å; L853-K856 PolarHBondContact O-N 3.23Å; L853-E857 WeakPolarHBondContact O-CB 3.41Å; L853-E857 PolarHBondContact O-N 2.61Å |
| 854 | T | 94.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.7 | -44.3 | 175.5 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | L782 C786 L802 Y805 L806 S850 V851 V852 S858 | L782-T854 HydrophobicContact CD2-CG2 3.73Å; C786-T854 HydrophobicContact CB-CG2 4.1Å; L802-T854 HydrophobicContact CD1-CG2 3.88Å; Y805-T854 WeakPolarHBondContact CB-OG1 3.46Å; L806-T854 HydrophobicContact CD2-CG2 3.9Å; S850-T854 WeakPolarHBondContact O-CB 3.42Å; S850-T854 PolarHBondContact O-N 2.87Å; S850-T854 PolarHBondContact O-OG1 3.07Å; V851-T854 WeakPolarHBondContact O-CB 3.42Å; V851-T854 PolarHBondContact O-N 2.96Å; V852-T854 VanDerWaalsContact C-N 3.33Å; V852-T854 PolarHBondContact O-N 3.4Å; T854-S858 WeakPolarHBondContact O-CB 3.3Å; T854-S858 PolarHBondContact O-N 3.34Å; T854-S858 PolarHBondContact O-OG 3.19Å |
| 855 | V | 93.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.5 | -48.5 | 177.6 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | I728 I738 I739 A742 V851 V852 L853 S858 Y859 W877 | I728-V855 HydrophobicContact CD1-CB 4.08Å; I728-V855 HydrophobicContact CD1-CG1 3.8Å; I728-V855 HydrophobicContact CD1-CG2 3.81Å; I738-V855 HydrophobicContact CG2-CG2 3.95Å; I739-V855 HydrophobicContact CD1-CG1 3.53Å; A742-V855 HydrophobicContact CB-CG2 4.01Å; V851-V855 HydrophobicContact CG1-CG2 4.49Å; V851-V855 WeakPolarHBondContact O-CG2 3.19Å; V851-V855 PolarHBondContact O-N 3.07Å; V852-V855 PolarHBondContact O-N 2.94Å; L853-V855 PolarHBondContact O-N 2.98Å; V855-S858 PolarHBondContact O-N 3.13Å; V855-Y859 PolarHBondContact O-N 2.92Å; V855-W877 HydrophobicContact CG1-CH2 4.06Å; V855-W877 HydrophobicContact CG1-CZ3 4.17Å; V855-W877 WeakPolarHBondContact O-CH2 3.47Å |
| 856 | K | 90.1 | Very high | 87 | Confident | 94 Ų | 94 | 40.1 Ų | 40.1 | 41% | 0.409 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.5 | -46.9 | 179.6 | -72.2 | 179 | 68.1 | 178.1 | 0 | 111.7 | E727 V852 L853 S858 Y859 I860 | E727-K856 HydrophobicContact CG-CD 4.44Å; V852-K856 HydrophobicContact CG2-CD 4.35Å; V852-K856 WeakPolarHBondContact O-CG 3.35Å; V852-K856 PolarHBondContact O-N 3.34Å; L853-K856 PolarHBondContact O-N 3.23Å; K856-S858 VanDerWaalsContact C-N 3.33Å; K856-S858 PolarHBondContact O-N 3.24Å; K856-Y859 WeakPolarHBondContact O-CB 3.46Å; K856-Y859 PolarHBondContact O-N 3.27Å; K856-I860 WeakPolarHBondContact O-CG1 3.38Å; K856-I860 PolarHBondContact O-N 3.27Å |
| 857 | E | 88.9 | Confident | 84.8 | Confident | 21 Ų | 21 | 41.4 Ų | 41.4 | 10% | 0.098 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71 | -32.1 | -179.1 | -158.8 | 57.3 | -141.3 | 0 | 0 | 111.7 | S798 D801 L802 Y805 L853 Y859 I860 A861 | S798-E857 WeakPolarHBondContact CA-OE1 3.44Å; S798-E857 WeakPolarHBondContact CB-OE1 3.37Å; S798-E857 PolarHBondContact OG-OE1 3.15Å; D801-E857 HydrophobicContact CB-CG 4.12Å; L802-E857 HydrophobicContact CB-CB 4.47Å; L802-E857 HydrophobicContact CB-CG 3.99Å; L802-E857 HydrophobicContact CD1-CB 4.28Å; Y805-E857 HydrophobicContact CD2-CB 4.04Å; Y805-E857 HydrophobicContact CD2-CG 4.47Å; Y805-E857 HydrophobicContact CE2-CB 4.04Å; Y805-E857 HydrophobicContact CE2-CG 4.29Å; L853-E857 WeakPolarHBondContact O-CB 3.41Å; L853-E857 PolarHBondContact O-N 2.61Å; E857-Y859 VanDerWaalsContact C-N 3.33Å; E857-Y859 PolarHBondContact O-N 3.31Å; E857-I860 PolarHBondContact O-N 3.42Å; E857-A861 WeakPolarHBondContact O-CB 3.43Å; E857-A861 PolarHBondContact O-N 2.98Å |
| 858 | S | 90 | Very high | 82.6 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.4 | -38.6 | 172.6 | -60.8 | 0 | 0 | 0 | 0 | 112.1 | C786 L802 T854 V855 K856 S862 | C786-S858 PolarHBondContact SG-OG 3.5Å; L802-S858 WeakPolarHBondContact CD1-OG 3.22Å; T854-S858 WeakPolarHBondContact O-CB 3.3Å; T854-S858 PolarHBondContact O-N 3.34Å; T854-S858 PolarHBondContact O-OG 3.19Å; V855-S858 PolarHBondContact O-N 3.13Å; K856-S858 VanDerWaalsContact C-N 3.33Å; K856-S858 PolarHBondContact O-N 3.24Å; S858-S862 VanDerWaalsContact O-CB 3.22Å; S858-S862 WeakPolarHBondContact O-CB 3.34Å; S858-S862 PolarHBondContact O-N 3.47Å; S858-S862 PolarHBondContact O-OG 2.83Å |
| 859 | Y | 87.6 | Confident | 80.3 | Confident | 86 Ų | 86 | 50.4 Ų | 50.4 | 34% | 0.337 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64 | -49.2 | 173.1 | 168 | -106.3 | 0 | 0 | 0 | 111.7 | W731 V855 K856 E857 A861 S862 T863 W877 | W731-Y859 AromaticContact CH2-CD1 3.95Å; W731-Y859 HydrophobicContact CH2-CD1 3.95Å; W731-Y859 AromaticContact CH2-CD2 3.28Å; W731-Y859 HydrophobicContact CH2-CD2 3.28Å; W731-Y859 AromaticContact CH2-CE1 3.98Å; W731-Y859 HydrophobicContact CH2-CE1 3.98Å; W731-Y859 AromaticContact CH2-CE2 3.31Å; W731-Y859 HydrophobicContact CH2-CE2 3.31Å; W731-Y859 AromaticContact CH2-CG 3.61Å; W731-Y859 HydrophobicContact CH2-CG 3.61Å; W731-Y859 AromaticContact CH2-CZ 3.67Å; W731-Y859 HydrophobicContact CZ2-CD1 4.23Å; W731-Y859 HydrophobicContact CZ2-CD2 4.07Å; W731-Y859 HydrophobicContact CZ2-CE2 4.41Å; W731-Y859 AromaticContact CZ2-CG 3.97Å; W731-Y859 HydrophobicContact CZ2-CG 3.97Å; W731-Y859 AromaticContact CZ3-CD2 3.7Å; W731-Y859 HydrophobicContact CZ3-CD2 3.7Å; W731-Y859 AromaticContact CZ3-CE2 3.66Å; W731-Y859 HydrophobicContact CZ3-CE2 3.66Å; W731-Y859 HydrophobicContact CZ3-CG 4.42Å; V855-Y859 PolarHBondContact O-N 2.92Å; K856-Y859 WeakPolarHBondContact O-CB 3.46Å; K856-Y859 PolarHBondContact O-N 3.27Å; E857-Y859 VanDerWaalsContact C-N 3.33Å; E857-Y859 PolarHBondContact O-N 3.31Å; Y859-A861 PolarHBondContact O-N 3.37Å; Y859-S862 PolarHBondContact O-N 2.98Å; Y859-T863 HydrophobicContact CD2-CG2 3.9Å; Y859-T863 HydrophobicContact CE2-CG2 3.48Å; Y859-T863 VanDerWaalsContact CE2-CG2 3.48Å; Y859-T863 WeakPolarHBondContact O-CG2 3.37Å; Y859-T863 PolarHBondContact O-N 2.9Å; Y859-T863 PolarHBondContact O-OG1 3.33Å; Y859-W877 HydrophobicContact CD2-CB 3.88Å; Y859-W877 AromaticContact CD2-CD2 3.7Å; Y859-W877 HydrophobicContact CD2-CD2 3.7Å; Y859-W877 AromaticContact CD2-CE3 3.78Å; Y859-W877 HydrophobicContact CD2-CE3 3.78Å; Y859-W877 AromaticContact CD2-CG 3.74Å; Y859-W877 HydrophobicContact CD2-CG 3.74Å; Y859-W877 HydrophobicContact CE2-CB 4.14Å; Y859-W877 HydrophobicContact CE2-CG 4.46Å; Y859-W877 HydrophobicContact CG-CD2 4.35Å; Y859-W877 HydrophobicContact CG-CE3 4.24Å |
| 860 | I | 84 | Confident | 78.2 | Confident | 64 Ų | 64 | 57.2 Ų | 57.2 | 33% | 0.328 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.7 | -48.9 | 178.9 | -66.8 | 167.4 | 0 | 0 | 0 | 110.1 | K856 E857 S862 T863 K864 | K856-I860 WeakPolarHBondContact O-CG1 3.38Å; K856-I860 PolarHBondContact O-N 3.27Å; E857-I860 PolarHBondContact O-N 3.42Å; I860-S862 PolarHBondContact O-N 3.09Å; I860-T863 PolarHBondContact O-N 3.31Å; I860-T863 PolarHBondContact O-OG1 3.19Å; I860-K864 WeakPolarHBondContact O-CB 3.34Å; I860-K864 PolarHBondContact O-N 2.85Å |
| 861 | A | 81.8 | Confident | 76.2 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.008 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.9 | -46.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I789 L802 E857 Y859 T863 Y865 | I789-A861 HydrophobicContact CG2-CB 3.69Å; L802-A861 HydrophobicContact CD2-CB 4.22Å; E857-A861 WeakPolarHBondContact O-CB 3.43Å; E857-A861 PolarHBondContact O-N 2.98Å; Y859-A861 PolarHBondContact O-N 3.37Å; A861-T863 VanDerWaalsContact C-N 3.32Å; A861-T863 PolarHBondContact O-N 3.43Å; A861-Y865 PolarHBondContact O-N 3.26Å |
| 862 | S | 83.8 | Confident | 74.3 | Confident | 14 Ų | 14 | 74.2 Ų | 74.2 | 10% | 0.098 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.1 | -27.4 | -178.5 | -60.3 | 0 | 0 | 0 | 0 | 114 | S858 Y859 I860 R866 W877 | S858-S862 VanDerWaalsContact O-CB 3.22Å; S858-S862 WeakPolarHBondContact O-CB 3.34Å; S858-S862 PolarHBondContact O-N 3.47Å; S858-S862 PolarHBondContact O-OG 2.83Å; Y859-S862 PolarHBondContact O-N 2.98Å; I860-S862 PolarHBondContact O-N 3.09Å; S862-R866 WeakPolarHBondContact O-CG 3.25Å; S862-W877 VanDerWaalsContact CB-CD1 3.46Å; S862-W877 PolarHBondContact OG-NE1 3.27Å |
| 863 | T | 77.4 | Confident | 72.9 | Confident | 51 Ų | 51 | 76.9 Ų | 76.9 | 31% | 0.313 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -94.2 | -38 | -177.8 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | Y859 I860 A861 | Y859-T863 HydrophobicContact CD2-CG2 3.9Å; Y859-T863 HydrophobicContact CE2-CG2 3.48Å; Y859-T863 VanDerWaalsContact CE2-CG2 3.48Å; Y859-T863 WeakPolarHBondContact O-CG2 3.37Å; Y859-T863 PolarHBondContact O-N 2.9Å; Y859-T863 PolarHBondContact O-OG1 3.33Å; I860-T863 PolarHBondContact O-N 3.31Å; I860-T863 PolarHBondContact O-OG1 3.19Å; A861-T863 VanDerWaalsContact C-N 3.32Å; A861-T863 PolarHBondContact O-N 3.43Å |
| 864 | K | 74.2 | Confident | 71.8 | Confident | 141 Ų | 141 | 78.1 Ų | 78.1 | 61% | 0.613 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -75.4 | -35.5 | -176.7 | -171.2 | 171.8 | 178.3 | 178.1 | 0 | 113.3 | I860 | I860-K864 WeakPolarHBondContact O-CB 3.34Å; I860-K864 PolarHBondContact O-N 2.85Å |
| 865 | Y | 68.2 | Low | 71 | Confident | 58 Ų | 58 | 78.4 Ų | 78.4 | 23% | 0.227 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 38.9 | -174.2 | -52.8 | -71.7 | 0 | 0 | 0 | 112.9 | C793 P794 S796 A861 S867 | C793-Y865 HydrophobicContact CB-CD2 4.14Å; P794-Y865 HydrophobicContact CG-CD1 3.48Å; P794-Y865 VanDerWaalsContact CG-CD1 3.48Å; P794-Y865 HydrophobicContact CG-CE1 3.79Å; P794-Y865 HydrophobicContact CG-CG 4.1Å; S796-Y865 WeakPolarHBondContact CB-OH 3.48Å; A861-Y865 PolarHBondContact O-N 3.26Å; Y865-S867 PolarHBondContact O-N 2.99Å |
| 866 | R | 61.1 | Low | 70.3 | Confident | 198 Ų | 198 | 83.7 Ų | 83.7 | 75% | 0.747 | 41% | 0.412 | S | S | * | . | trans | -56.4 | 104.8 | 172.1 | -76.4 | -172.4 | 177.8 | -166 | 2.4 | 109.3 | S862 | S862-R866 WeakPolarHBondContact O-CG 3.25Š| ||
| 867 | S | 49 | Very low | 70 | Confident | 63 Ų | 63 | 81 Ų | 81 | 44% | 0.441 | 40% | 0.399 | S | S | . | . | trans | -58.9 | 139 | 178.5 | -175.1 | 0 | 0 | 0 | 0 | 110.1 | Y865 S869 | Y865-S867 PolarHBondContact O-N 2.99Å; S867-S869 WeakPolarHBondContact CB-OG 3.26Å; S867-S869 PolarHBondContact O-N 3.33Å; S867-S869 WeakPolarHBondContact OG-CB 3.41Å; S867-S869 PolarHBondContact OG-N 2.85Å; S867-S869 VanDerWaalsContact OG-N 3.13Å; S867-S869 PolarHBondContact OG-OG 2.94Å | ||
| 868 | S | 50 | Low | 69.4 | Low | 131 Ų | 131 | 84.3 Ų | 84.3 | 92% | 0.916 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -68.2 | -15.6 | 168.7 | -53.7 | 0 | 0 | 0 | 0 | 112.2 | ||
| 869 | S | 47 | Very low | 68.6 | Low | 58 Ų | 58 | 89.9 Ų | 89.9 | 41% | 0.406 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -69.4 | 135.8 | 166.8 | 67.1 | 0 | 0 | 0 | 0 | 108.9 | S867 Q871 | S867-S869 WeakPolarHBondContact CB-OG 3.26Å; S867-S869 PolarHBondContact O-N 3.33Å; S867-S869 WeakPolarHBondContact OG-CB 3.41Å; S867-S869 PolarHBondContact OG-N 2.85Å; S867-S869 VanDerWaalsContact OG-N 3.13Å; S867-S869 PolarHBondContact OG-OG 2.94Å; S869-Q871 PolarHBondContact O-N 3.18Å |
| 870 | N | 47 | Very low | 67.7 | Low | 171 Ų | 171 | 90.8 Ų | 90.8 | 91% | 0.914 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -59.1 | 21.2 | -179.4 | -84.1 | -27 | 0 | 0 | 0 | 115.7 | R872 | N870-R872 PolarHBondContact O-N 3.49Š|
| 871 | Q | 52.7 | Low | 66.3 | Low | 121 Ų | 121 | 92.1 Ų | 92.1 | 57% | 0.565 | 46% | 0.456 | S | S | * | . | trans | -77.3 | 103.1 | 179.5 | -142.8 | 160.1 | -13.8 | 0 | 0 | 108.8 | M792 S869 | M792-Q871 HydrophobicContact CE-CB 4.12Å; M792-Q871 HydrophobicContact CE-CG 4.06Å; S869-Q871 PolarHBondContact O-N 3.18Å | ||
| 872 | R | 56 | Low | 64.8 | Low | 236 Ų | 236 | 93.4 Ų | 93.4 | 89% | 0.891 | 46% | 0.464 | S | S | * | . | trans | -62.1 | 135.2 | 179.5 | -68.7 | -180 | 179.1 | 170.5 | -0.6 | 110 | N870 | N870-R872 PolarHBondContact O-N 3.49Š| ||
| 873 | C | 61.9 | Low | 63 | Low | 64 Ų | 64 | 101.4 Ų | 101.4 | 43% | 0.432 | 50% | 0.5 | S | S | . | . | trans | -56.3 | 142.5 | 168 | -169.7 | 0 | 0 | 0 | 0 | 109.8 | V875 | C873-V875 PolarHBondContact O-N 2.97Å; C873-V875 PolarHBondContact SG-O 3.27Å | ||
| 874 | I | 70.7 | Confident | 61.1 | Low | 69 Ų | 69 | 106.9 Ų | 106.9 | 35% | 0.354 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -64.7 | -33.3 | -176.1 | -49 | 154.1 | 0 | 0 | 0 | 111.2 | L785 H788 I789 | L785-I874 HydrophobicContact CD2-CG2 3.65Å; L785-I874 WeakPolarHBondContact O-CD1 3.3Å; H788-I874 HydrophobicContact CB-CD1 3.39Å; H788-I874 WeakPolarHBondContact ND1-CD1 3.35Å; H788-I874 VanDerWaalsContact ND1-CG1 3.27Å; H788-I874 WeakPolarHBondContact ND1-CG1 3.47Å; I789-I874 HydrophobicContact CG1-CD1 4.18Å |
| 875 | V | 77 | Confident | 59.4 | Low | 6 Ų | 6 | 108.1 Ų | 108.1 | 4% | 0.036 | 53% | 0.525 | C | S | . | . | S | Bend | trans | -120.9 | 151.3 | 178.8 | -64.3 | 0 | 0 | 0 | 0 | 109.8 | I738 I789 C873 W877 | I738-V875 HydrophobicContact CD1-CG1 4.13Å; I738-V875 HydrophobicContact CD1-CG2 3.89Å; I738-V875 HydrophobicContact CG1-CG1 4.09Å; I789-V875 HydrophobicContact CD1-CG2 4.2Å; C873-V875 PolarHBondContact O-N 2.97Å; C873-V875 PolarHBondContact SG-O 3.27Å; V875-W877 HydrophobicContact CG2-CZ2 4.26Å |
| 876 | Q | 78.6 | Confident | 57.9 | Low | 110 Ų | 110 | 109.9 Ų | 109.9 | 51% | 0.514 | 55% | 0.546 | S | S | . | . | trans | -100.2 | 120.1 | 172.1 | -69.7 | -172.1 | -18.3 | 0 | 0 | 109.8 | A735 Q878 | A735-Q876 HydrophobicContact CB-CB 4.15Å; A735-Q876 PolarHBondContact O-N 3.38Å; A735-Q876 VanDerWaalsContact O-N 3.1Å; Q876-Q878 HydrophobicContact CB-CG 4.45Å; Q876-Q878 PolarHBondContact O-N 2.98Å | ||
| 877 | W | 82.6 | Confident | 56.8 | Low | 37 Ų | 37 | 103.6 Ų | 103.6 | 14% | 0.14 | 53% | 0.527 | C | S | . | . | trans | -83.1 | 97.8 | 172.5 | -65.5 | 98.3 | 0 | 0 | 0 | 108.9 | W731 N736 I738 I739 V855 Y859 S862 V875 | W731-W877 AromaticContact CD2-CE3 3.95Å; W731-W877 HydrophobicContact CD2-CE3 3.95Å; W731-W877 HydrophobicContact CD2-CZ3 4.1Å; W731-W877 AromaticContact CE3-CE3 3.71Å; W731-W877 HydrophobicContact CE3-CE3 3.71Å; W731-W877 HydrophobicContact CE3-CZ3 4.33Å; W731-W877 HydrophobicContact CG-CZ3 4.49Å; W731-W877 HydrophobicContact CH2-CE3 4.26Å; W731-W877 HydrophobicContact CZ2-CE3 4.45Å; W731-W877 HydrophobicContact CZ3-CB 4.34Å; W731-W877 AromaticContact CZ3-CE3 3.87Å; W731-W877 HydrophobicContact CZ3-CE3 3.87Å; N736-W877 VanDerWaalsContact ND2-CE3 3.29Å; N736-W877 WeakPolarHBondContact ND2-CZ3 3.45Å; I738-W877 HydrophobicContact CD1-CZ2 4.26Å; I739-W877 HydrophobicContact CD1-CH2 4.5Å; I739-W877 HydrophobicContact CD1-CZ3 4Å; I739-W877 HydrophobicContact CG1-CZ3 4.37Å; V855-W877 HydrophobicContact CG1-CH2 4.06Å; V855-W877 HydrophobicContact CG1-CZ3 4.17Å; V855-W877 WeakPolarHBondContact O-CH2 3.47Å; Y859-W877 HydrophobicContact CD2-CB 3.88Å; Y859-W877 AromaticContact CD2-CD2 3.7Å; Y859-W877 HydrophobicContact CD2-CD2 3.7Å; Y859-W877 AromaticContact CD2-CE3 3.78Å; Y859-W877 HydrophobicContact CD2-CE3 3.78Å; Y859-W877 AromaticContact CD2-CG 3.74Å; Y859-W877 HydrophobicContact CD2-CG 3.74Å; Y859-W877 HydrophobicContact CE2-CB 4.14Å; Y859-W877 HydrophobicContact CE2-CG 4.46Å; Y859-W877 HydrophobicContact CG-CD2 4.35Å; Y859-W877 HydrophobicContact CG-CE3 4.24Å; S862-W877 VanDerWaalsContact CB-CD1 3.46Å; S862-W877 PolarHBondContact OG-NE1 3.27Å; V875-W877 HydrophobicContact CG2-CZ2 4.26Å | ||
| 878 | Q | 76.1 | Confident | 56.3 | Low | 91 Ų | 91 | 103.6 Ų | 103.6 | 43% | 0.425 | 52% | 0.524 | S | S | . | . | trans | -120.2 | 140.8 | 174.2 | -66.2 | -175.1 | -3 | 0 | 0 | 109.3 | D732 Q876 | D732-Q878 HydrophobicContact CB-CB 4.15Å; D732-Q878 PolarHBondContact N-O 3.37Å; Q876-Q878 HydrophobicContact CB-CG 4.45Å; Q876-Q878 PolarHBondContact O-N 2.98Å | ||
| 879 | M | 73.8 | Confident | 55.7 | Low | 117 Ų | 117 | 100.5 Ų | 100.5 | 58% | 0.576 | 50% | 0.502 | S | S | * | . | B | Isolated β-bridge | trans | -70.5 | 141.1 | 167.5 | -76.5 | -116.7 | -97.4 | 0 | 0 | 108.7 | I152 T881 | I152-M879 HydrophobicContact CG2-CB 4.47Å; M879-T881 PolarHBondContact O-N 2.97Å |
| 880 | R | 68.4 | Low | 55.2 | Low | 105 Ų | 105 | 102.9 Ų | 102.9 | 40% | 0.396 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -60 | 128.3 | 177.2 | -178.8 | 173.3 | -87.5 | -156.6 | -11.4 | 109.6 | K730 D733 | K730-R880 PolarHBondContact O-N 3.46Å; D733-R880 IonicContact OD1-CZ 2.92Å; D733-R880 IonicContact OD1-NH2 2.71Å; D733-R880 PolarHBondContact OD1-NH2 3.36Å; D733-R880 IonicContact OD2-NH2 2.84Å; D733-R880 PolarHBondContact OD2-NH2 3.29Å |
| 881 | T | 56.1 | Low | 54.4 | Low | 92 Ų | 92 | 102.7 Ų | 102.7 | 56% | 0.564 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 132.5 | 176.6 | -53.7 | 0 | 0 | 0 | 0 | 108.8 | M879 | M879-T881 PolarHBondContact O-N 2.97Š|
| 882 | P | 49.9 | Very low | 53.6 | Low | 28 Ų | 28 | 103.6 Ų | 103.6 | 18% | 0.182 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 148.9 | 171.4 | -16.4 | 27.4 | 0 | 0 | 0 | 112 | I152 K884 | I152-P882 HydrophobicContact CB-CG 4.35Å; I152-P882 HydrophobicContact CG1-CG 4.11Å; P882-K884 PolarHBondContact O-N 2.87Å |
| 883 | E | 45.5 | Very low | 52.5 | Low | 183 Ų | 183 | 99.8 Ų | 99.8 | 86% | 0.855 | 50% | 0.496 | S | S | * | . | trans | -67.6 | 115.8 | 173.7 | -64.9 | -176.5 | 174.7 | 0 | 0 | 110.3 | ||||
| 884 | K | 36.5 | Very low | 51 | Low | 165 Ų | 165 | 102.2 Ų | 102.2 | 72% | 0.717 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -77.6 | 133.1 | 177.5 | -62.8 | -175.6 | 178.6 | -172.8 | 0 | 110.5 | P882 | P882-K884 PolarHBondContact O-N 2.87Š|
| 885 | K | 38.4 | Very low | 49 | Very low | 167 Ų | 167 | 109.4 Ų | 109.4 | 73% | 0.726 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -103.7 | 133.9 | 169.4 | -70 | -178.8 | -180 | 177.5 | 0 | 109.5 | L887 | K885-L887 PolarHBondContact O-N 2.99Š|
| 886 | S | 37.4 | Very low | 46.9 | Very low | 95 Ų | 95 | 113.7 Ų | 113.7 | 66% | 0.664 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 124.2 | 179.1 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | V888 | S886-V888 VanDerWaalsContact C-N 3.33Š|
| 887 | L | 38.4 | Very low | 44.7 | Very low | 66 Ų | 66 | 115 Ų | 115 | 35% | 0.346 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -75.8 | -20.2 | -176.4 | -61.8 | 171.8 | 0 | 0 | 0 | 113.1 | D99 K146 K885 | D99-L887 WeakPolarHBondContact OD2-CD1 3.42Å; K146-L887 HydrophobicContact CB-CD2 4.01Å; K885-L887 PolarHBondContact O-N 2.99Å |
| 888 | V | 38.5 | Very low | 42.2 | Very low | 64 Ų | 64 | 117.6 Ų | 117.6 | 39% | 0.388 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -125.9 | 79.6 | -175.9 | -170.6 | 0 | 0 | 0 | 0 | 110.1 | V32 S886 | V32-V888 HydrophobicContact CG2-CB 4.48Å; V32-V888 HydrophobicContact CG2-CG1 4.1Å; V32-V888 HydrophobicContact CG2-CG2 3.79Å; S886-V888 VanDerWaalsContact C-N 3.33Å |
| 889 | S | 36.4 | Very low | 39.9 | Very low | 65 Ų | 65 | 119.1 Ų | 119.1 | 46% | 0.455 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -157.9 | -26.1 | 158.6 | -161.6 | 0 | 0 | 0 | 0 | 113 | Y891 L892 | S889-Y891 VanDerWaalsContact C-N 3.26Å; S889-Y891 PolarHBondContact O-N 3.18Å; S889-L892 PolarHBondContact O-N 3.18Å |
| 890 | D | 36.3 | Very low | 37.7 | Very low | 109 Ų | 109 | 124.1 Ų | 124.1 | 58% | 0.583 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -78.9 | -6.9 | -179 | -70.1 | -25.9 | 0 | 0 | 0 | 114.5 | L892 | D890-L892 PolarHBondContact O-N 2.79Å; D890-L892 VanDerWaalsContact O-N 3.15Å |
| 891 | Y | 32 | Very low | 36 | Very low | 166 Ų | 166 | 124.7 Ų | 124.7 | 65% | 0.651 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.3 | -16.8 | 172.5 | -114.6 | -82.5 | 0 | 0 | 0 | 113.2 | S889 | S889-Y891 VanDerWaalsContact C-N 3.26Å; S889-Y891 PolarHBondContact O-N 3.18Å |
| 892 | L | 34.3 | Very low | 34.8 | Very low | 140 Ų | 140 | 129.2 Ų | 129.2 | 73% | 0.733 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -111 | -23.3 | -177 | -69.1 | 175.9 | 0 | 0 | 0 | 115.5 | S889 D890 | S889-L892 PolarHBondContact O-N 3.18Å; D890-L892 PolarHBondContact O-N 2.79Å; D890-L892 VanDerWaalsContact O-N 3.15Å |
| 893 | K | 33.4 | Very low | 33.8 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 68% | 0.678 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -67.9 | -39.3 | 173.5 | -83.4 | -178.1 | 177.6 | 174.2 | 0 | 111.7 | R895 S896 | K893-R895 VanDerWaalsContact C-N 3.35Å; K893-R895 PolarHBondContact O-N 3.06Å; K893-S896 PolarHBondContact O-OG 2.99Å |
| 894 | N | 30.9 | Very low | 33 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 62% | 0.62 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -4.3 | -173.5 | -68.2 | -6.8 | 0 | 0 | 0 | 114.8 | ||
| 895 | R | 28 | Very low | 32.6 | Very low | 220 Ų | 220 | 130.3 Ų | 130.3 | 83% | 0.83 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -17 | 174.1 | -126.4 | -173.6 | -169.7 | -144.6 | 3.6 | 113.6 | K893 | K893-R895 VanDerWaalsContact C-N 3.35Å; K893-R895 PolarHBondContact O-N 3.06Å |
| 896 | S | 32.5 | Very low | 32.2 | Very low | 96 Ų | 96 | 131 Ų | 131 | 67% | 0.671 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -90.2 | -11.7 | -177.2 | 62.6 | 0 | 0 | 0 | 0 | 114.5 | K893 | K893-S896 PolarHBondContact O-OG 2.99Š|
| 897 | I | 32.4 | Very low | 31.9 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 70% | 0.697 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -143.8 | 112.4 | -178.9 | -47.4 | 177.5 | 0 | 0 | 0 | 110.2 | ||
| 898 | S | 29.7 | Very low | 31.4 | Very low | 92 Ų | 92 | 136.4 Ų | 136.4 | 64% | 0.643 | 67% | 0.671 | S | S | * | * | trans | 81.9 | 27.1 | 158 | -87 | 0 | 0 | 0 | 0 | 122.6 | R900 | S898-R900 PolarHBondContact O-N 3.32Š| ||
| 899 | N | 28.6 | Very low | 31 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 66% | 0.658 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 39 | 172 | -130.9 | 7.8 | 0 | 0 | 0 | 115 | ||
| 900 | R | 28.9 | Very low | 31.1 | Very low | 222 Ų | 222 | 141.5 Ų | 141.5 | 84% | 0.838 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | -23.5 | 170.8 | -101 | -170.2 | 177.7 | -176.2 | -0.4 | 116.3 | S898 | S898-R900 PolarHBondContact O-N 3.32Š|
| 901 | D | 32.7 | Very low | 30.7 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 63% | 0.631 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -116.1 | -14.9 | -168.1 | -60.7 | -31.5 | 0 | 0 | 0 | 115.7 | ||
| 902 | Y | 29.7 | Very low | 30.8 | Very low | 186 Ų | 186 | 140 Ų | 140 | 73% | 0.729 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -13 | -173 | -74.2 | -74.4 | 0 | 0 | 0 | 116.9 | ||
| 903 | L | 29 | Very low | 31.1 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 73% | 0.733 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -6.2 | 177.4 | -81 | 168.8 | 0 | 0 | 0 | 114 | ||
| 904 | F | 28.1 | Very low | 31 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 65% | 0.645 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -19.5 | 180 | -106.5 | -90.8 | 0 | 0 | 0 | 114.1 | ||
| 905 | D | 29.9 | Very low | 31.1 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 60% | 0.604 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -85.5 | -25.3 | -173.3 | -81.1 | -13.1 | 0 | 0 | 0 | 114.9 | L907 S909 | D905-L907 VanDerWaalsContact C-N 3.27Å; D905-L907 PolarHBondContact O-N 3.28Å; D905-S909 PolarHBondContact O-N 2.95Å; D905-S909 PolarHBondContact O-OG 3.28Å |
| 906 | E | 29 | Very low | 31.6 | Very low | 182 Ų | 182 | 129 Ų | 129 | 85% | 0.85 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -73.3 | -18.3 | 174.4 | -88.3 | -168.8 | 158.8 | 0 | 0 | 113.4 | ||
| 907 | L | 30.3 | Very low | 31.6 | Very low | 148 Ų | 148 | 128.9 Ų | 128.9 | 78% | 0.775 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -93.9 | -23.5 | 176.3 | -83.5 | 162.4 | 0 | 0 | 0 | 113.6 | D905 | D905-L907 VanDerWaalsContact C-N 3.27Å; D905-L907 PolarHBondContact O-N 3.28Å |
| 908 | N | 28.6 | Very low | 31.5 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 67% | 0.668 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -99.5 | -7.2 | -175.5 | -89.2 | -12.6 | 0 | 0 | 0 | 115.6 | H910 | N908-H910 VanDerWaalsContact C-N 3.34Å; N908-H910 PolarHBondContact O-N 3.26Å |
| 909 | S | 31.3 | Very low | 32 | Very low | 73 Ų | 73 | 128.1 Ų | 128.1 | 51% | 0.51 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79 | -7.4 | -179.7 | 60.5 | 0 | 0 | 0 | 0 | 115.3 | D905 | D905-S909 PolarHBondContact O-N 2.95Å; D905-S909 PolarHBondContact O-OG 3.28Å |
| 910 | H | 36.6 | Very low | 32.4 | Very low | 163 Ų | 163 | 129.6 Ų | 129.6 | 76% | 0.755 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.2 | 32.1 | -172.3 | -72.1 | -54.9 | 0 | 0 | 0 | 117.7 | N908 | N908-H910 VanDerWaalsContact C-N 3.34Å; N908-H910 PolarHBondContact O-N 3.26Å |
| 911 | H | 29.4 | Very low | 32.5 | Very low | 144 Ų | 144 | 126.8 Ų | 126.8 | 67% | 0.667 | 65% | 0.649 | S | S | * | * | trans | -144 | 74.7 | 162 | -116.7 | -54 | 0 | 0 | 0 | 113.8 | D913 | H911-D913 PolarHBondContact O-N 3.09Š| ||
| 912 | P | 34.2 | Very low | 32.8 | Very low | 100 Ų | 100 | 130.6 Ų | 130.6 | 65% | 0.649 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -65.6 | -18 | 167.7 | -16.4 | 30.4 | 0 | 0 | 0 | 113.4 | ||
| 913 | D | 39.7 | Very low | 33 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 54% | 0.535 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -90.2 | -20.6 | -167.9 | -67.8 | -33.7 | 0 | 0 | 0 | 115.7 | H911 L915 N916 E917 | H911-D913 PolarHBondContact O-N 3.09Å; D913-L915 VanDerWaalsContact C-N 3.33Å; D913-L915 PolarHBondContact O-N 3.44Å; D913-N916 PolarHBondContact O-N 3.08Å; D913-E917 PolarHBondContact O-N 3.36Å; D913-E917 VanDerWaalsContact O-N 3.14Å |
| 914 | A | 31.4 | Very low | 33.3 | Very low | 55 Ų | 55 | 128.1 Ų | 128.1 | 46% | 0.455 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -70 | -30.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 915 | L | 33.4 | Very low | 33.9 | Very low | 143 Ų | 143 | 126.4 Ų | 126.4 | 75% | 0.749 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -80.5 | -31.3 | 175.8 | -94.2 | 151.3 | 0 | 0 | 0 | 112.6 | D913 E917 L918 | D913-L915 VanDerWaalsContact C-N 3.33Å; D913-L915 PolarHBondContact O-N 3.44Å; L915-E917 VanDerWaalsContact C-N 3.34Å; L915-L918 PolarHBondContact O-N 2.86Å |
| 916 | N | 38.4 | Very low | 34.2 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 55% | 0.545 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -70.5 | -30.1 | 174.8 | -92.2 | -18.1 | 0 | 0 | 0 | 112.5 | D913 L918 S919 | D913-N916 PolarHBondContact O-N 3.08Å; N916-L918 VanDerWaalsContact C-N 3.32Å; N916-L918 PolarHBondContact O-N 3.08Å; N916-S919 PolarHBondContact O-N 3.34Å; N916-S919 VanDerWaalsContact O-N 3.15Å; N916-S919 PolarHBondContact O-OG 3.11Å |
| 917 | E | 32.9 | Very low | 34.5 | Very low | 94 Ų | 94 | 129.1 Ų | 129.1 | 44% | 0.439 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -70.6 | -25.3 | 177.1 | -73.3 | -169.1 | 156.5 | 0 | 0 | 113.9 | K426 D913 L915 S919 Q920 | K426-E917 IonicContact NZ-OE1 3.4Å; K426-E917 PolarHBondContact NZ-OE1 2.96Å; K426-E917 IonicContact NZ-OE2 2.93Å; K426-E917 PolarHBondContact NZ-OE2 3.1Å; D913-E917 PolarHBondContact O-N 3.36Å; D913-E917 VanDerWaalsContact O-N 3.14Å; L915-E917 VanDerWaalsContact C-N 3.34Å; E917-S919 VanDerWaalsContact C-N 3.26Å; E917-S919 PolarHBondContact O-N 3.42Å; E917-Q920 PolarHBondContact O-N 3.11Å |
| 918 | L | 29.3 | Very low | 34.7 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 67% | 0.67 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -72.3 | -20.8 | 172 | -78.6 | 161.6 | 0 | 0 | 0 | 112.7 | L915 N916 Q920 | L915-L918 PolarHBondContact O-N 2.86Å; N916-L918 VanDerWaalsContact C-N 3.32Å; N916-L918 PolarHBondContact O-N 3.08Å; L918-Q920 VanDerWaalsContact C-N 3.33Å |
| 919 | S | 39.7 | Very low | 35 | Very low | 85 Ų | 85 | 128.4 Ų | 128.4 | 59% | 0.594 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -10.1 | 177.1 | 78.4 | 0 | 0 | 0 | 0 | 114.1 | N916 E917 | N916-S919 PolarHBondContact O-N 3.34Å; N916-S919 VanDerWaalsContact O-N 3.15Å; N916-S919 PolarHBondContact O-OG 3.11Å; E917-S919 VanDerWaalsContact C-N 3.26Å; E917-S919 PolarHBondContact O-N 3.42Å |
| 920 | Q | 37.5 | Very low | 35.2 | Very low | 153 Ų | 153 | 131.4 Ų | 131.4 | 72% | 0.715 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -5.6 | -179.2 | -66.8 | -169.7 | 19.9 | 0 | 0 | 114.3 | E917 L918 K922 | E917-Q920 PolarHBondContact O-N 3.11Å; L918-Q920 VanDerWaalsContact C-N 3.33Å; Q920-K922 VanDerWaalsContact C-N 3.29Å; Q920-K922 PolarHBondContact O-N 3.21Å |
| 921 | F | 32.1 | Very low | 35.2 | Very low | 163 Ų | 163 | 129.6 Ų | 129.6 | 72% | 0.715 | 70% | 0.703 | S | S | * | * | trans | -77.4 | 83.5 | 168.3 | -79.7 | -84.1 | 0 | 0 | 0 | 110 | H923 | F921-H923 PolarHBondContact O-N 3.21Š| ||
| 922 | K | 38.5 | Very low | 35.5 | Very low | 199 Ų | 199 | 128.7 Ų | 128.7 | 87% | 0.865 | 71% | 0.706 | S | S | * | * | trans | -60.9 | 102.4 | 161.5 | -78.7 | -174.6 | 176.9 | 179.9 | 0 | 108.1 | Q920 | Q920-K922 VanDerWaalsContact C-N 3.29Å; Q920-K922 PolarHBondContact O-N 3.21Å | ||
| 923 | H | 33.2 | Very low | 35.6 | Very low | 167 Ų | 167 | 130.6 Ų | 130.6 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 133.5 | 165.1 | -71.6 | -73.9 | 0 | 0 | 0 | 109.1 | F921 | F921-H923 PolarHBondContact O-N 3.21Š|
| 924 | P | 35.1 | Very low | 35.3 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 141.5 | 173.3 | 24.8 | -30.8 | 0 | 0 | 0 | 109.2 | N926 | P924-N926 PolarHBondContact O-N 2.81Š|
| 925 | P | 42.1 | Very low | 35.6 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 72% | 0.721 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 128 | -175.3 | 24.6 | -31.3 | 0 | 0 | 0 | 110.2 | S927 | P925-S927 VanDerWaalsContact C-N 3.26Å; P925-S927 PolarHBondContact O-N 3.35Å |
| 926 | N | 34.9 | Very low | 35.8 | Very low | 177 Ų | 177 | 138.4 Ų | 138.4 | 95% | 0.947 | 74% | 0.742 | S | S | * | * | trans | -67.5 | 86.8 | 165.2 | -80.3 | -24.5 | 0 | 0 | 0 | 108.8 | P924 | P924-N926 PolarHBondContact O-N 2.81Š| ||
| 927 | S | 35.8 | Very low | 35.6 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 100% | 1.224 | 76% | 0.76 | S | S | * | * | trans | -160.3 | 0 | 157.1 | 64 | 0 | 0 | 0 | 0 | 110.2 | P925 | P925-S927 VanDerWaalsContact C-N 3.26Å; P925-S927 PolarHBondContact O-N 3.35Å |
Retrieved 927 of 927 residues in 191.7 ms
(Link to these results)